| 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 | 35.2 | Very low | 49.9 | Very low | 247 Ų | 247 | 142.5 Ų | 142.5 | 100% | 1.217 | 82% | 0.815 | S | S | * | * | 0 | 132.6 | 0 | -75.6 | -63.2 | -152.2 | 0 | 0 | 107.6 | |||||
| 2 | G | 39.5 | Very low | 53.3 | Low | 86 Ų | 86 | 138.1 Ų | 138.1 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | 77.6 | 148.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | G | 39.3 | Very low | 56.3 | Low | 82 Ų | 82 | 133.4 Ų | 133.4 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | cis | -142.5 | 146.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | G | 39.3 | Very low | 58.9 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -102.3 | 124.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 5 | K | 40.3 | Very low | 61.2 | Low | 198 Ų | 198 | 123.5 Ų | 123.5 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | 22.8 | 96.7 | 150.7 | -61.3 | 180 | -179.3 | 179.6 | 0 | 117.2 | V7 | K5-V7 PolarHBondContact O-N 3.1Š| ||
| 6 | N | 41.2 | Very low | 63.3 | Low | 173 Ų | 173 | 121.7 Ų | 121.7 | 93% | 0.925 | 68% | 0.678 | S | S | * | * | trans | -66.6 | 90.9 | 160.7 | -87.1 | -24.7 | 0 | 0 | 0 | 110.8 | ||||
| 7 | V | 45.2 | Very low | 65.1 | Low | 115 Ų | 115 | 123.6 Ų | 123.6 | 70% | 0.697 | 68% | 0.681 | S | S | * | * | trans | -67.5 | 129.8 | 162.6 | 178.6 | 0 | 0 | 0 | 0 | 107.9 | K5 R9 | K5-V7 PolarHBondContact O-N 3.1Å; V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.44Å | ||
| 8 | R | 47.5 | Very low | 66.6 | Low | 246 Ų | 246 | 121.4 Ų | 121.4 | 93% | 0.928 | 67% | 0.665 | S | S | * | * | trans | -64.1 | 91.6 | 169.1 | -74.7 | -173.6 | 179.8 | -179.4 | 0 | 109.3 | ||||
| 9 | R | 57.3 | Low | 68 | Low | 216 Ų | 216 | 115.1 Ų | 115.1 | 82% | 0.815 | 63% | 0.63 | S | S | * | * | trans | -68 | 144.9 | 158.6 | -57.3 | -169.8 | -161 | -163.7 | 6.5 | 107.8 | V7 | V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.44Å | ||
| 10 | G | 77.5 | Confident | 69.2 | Low | 66 Ų | 66 | 113.9 Ų | 113.9 | 68% | 0.68 | 62% | 0.622 | S | S | * | * | trans | -70.5 | -178.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | L | 86.7 | Confident | 70.4 | Confident | 64 Ų | 64 | 113.2 Ų | 113.2 | 34% | 0.335 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 144.4 | 162 | -65 | 170.2 | 0 | 0 | 0 | 109.3 | R32 E36 | L11-R32 HydrophobicContact CD2-CB 3.88Å; L11-E36 HydrophobicContact CD1-CB 3.97Å; L11-E36 HydrophobicContact CD1-CG 4.15Å |
| 12 | E | 90.4 | Very high | 73.1 | Confident | 89 Ų | 89 | 103.9 Ų | 103.9 | 42% | 0.416 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -79.3 | 143 | 176.3 | -73.7 | 155 | 159.5 | 0 | 0 | 109.2 | N29 R32 H33 | E12-N29 PolarHBondContact O-ND2 2.92Å; E12-N29 PolarHBondContact O-OD1 3.2Å; E12-R32 IonicContact OE2-CZ 3.87Å; E12-R32 VanDerWaalsContact OE2-CZ 3.23Å; E12-R32 IonicContact OE2-NH1 3.24Å; E12-R32 PolarHBondContact OE2-NH1 2.97Å; E12-R32 IonicContact OE2-NH2 2.66Å; E12-R32 PolarHBondContact OE2-NH2 2.87Å; E12-H33 PolarHBondContact O-NE2 3.41Å |
| 13 | P | 92.3 | Very high | 75.7 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 149.9 | 179.3 | -28 | 36.1 | 0 | 0 | 0 | 113.3 | E15 N29 | P13-E15 WeakPolarHBondContact CB-OE1 3.26Å; P13-E15 PolarHBondContact O-N 2.91Å; P13-N29 PolarHBondContact O-ND2 2.97Å |
| 14 | L | 93.6 | Very high | 78.2 | Confident | 3 Ų | 3 | 101.7 Ų | 101.7 | 2% | 0.016 | 53% | 0.532 | C | S | . | . | trans | -95.4 | 90.3 | 172.9 | -67.4 | 173 | 0 | 0 | 0 | 107.9 | F26 N29 L30 H33 V190 I193 Q194 | L14-F26 HydrophobicContact CD2-CD2 4.47Å; L14-F26 HydrophobicContact CD2-CE2 4.23Å; L14-N29 HydrophobicContact CD2-CB 4.04Å; L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.33Å; L14-H33 HydrophobicContact CD1-CB 4.16Å; L14-V190 HydrophobicContact CB-CG1 3.59Å; L14-V190 HydrophobicContact CB-CG2 4.42Å; L14-V190 VanDerWaalsContact O-CG1 3.26Å; L14-V190 WeakPolarHBondContact O-CG1 3.19Å; L14-I193 HydrophobicContact CD1-CB 4.31Å; L14-I193 HydrophobicContact CD1-CD1 4.22Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L14-Q194 HydrophobicContact CB-CG 4.49Å; L14-Q194 PolarHBondContact O-NE2 3.21Å | ||
| 15 | E | 93.6 | Very high | 80.7 | Confident | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | trans | -68.9 | 140.7 | -178.3 | -62.8 | -58.4 | 159.2 | 0 | 0 | 112 | P13 E17 E18 C19 | P13-E15 WeakPolarHBondContact CB-OE1 3.26Å; P13-E15 PolarHBondContact O-N 2.91Å; E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 2.86Å; E15-E18 HydrophobicContact CB-CB 4.39Å; E15-E18 HydrophobicContact CB-CG 4.45Å; E15-C19 WeakPolarHBondContact O-CB 3.43Å; E15-C19 PolarHBondContact O-N 3.37Å; E15-C19 VanDerWaalsContact O-N 3.08Å | ||
| 16 | F | 94.5 | Very high | 83.3 | Confident | 94 Ų | 94 | 94.7 Ų | 94.7 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.4 | -26.6 | -179.2 | -68 | -45.1 | 0 | 0 | 0 | 113.3 | C19 I20 L187 V190 L191 | F16-C19 PolarHBondContact O-N 3.49Å; F16-I20 WeakPolarHBondContact O-CD1 3.42Å; F16-I20 VanDerWaalsContact O-CG1 3.3Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.24Å; F16-I20 VanDerWaalsContact O-N 3.15Å; F16-L187 HydrophobicContact CB-CD2 3.73Å; F16-L187 HydrophobicContact CD1-CD2 3.41Å; F16-L187 VanDerWaalsContact CD1-CD2 3.41Å; F16-L187 HydrophobicContact CE1-CD2 4.25Å; F16-L187 HydrophobicContact CG-CD2 3.84Å; F16-V190 HydrophobicContact CD1-CG1 3.9Å; F16-V190 HydrophobicContact CE1-CB 4.32Å; F16-V190 HydrophobicContact CE1-CG1 3.75Å; F16-L191 HydrophobicContact CE1-CB 4.32Å; F16-L191 HydrophobicContact CZ-CB 4.23Å; F16-L191 HydrophobicContact CZ-CD1 4.42Å |
| 17 | E | 93.8 | Very high | 85.9 | Confident | 155 Ų | 155 | 90 Ų | 90 | 72% | 0.724 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.6 | -53.3 | 175.6 | -174.9 | 166.7 | -164.6 | 0 | 0 | 110.7 | E15 C19 I20 V21 | E15-E17 VanDerWaalsContact C-N 3.33Å; E15-E17 PolarHBondContact O-N 2.86Å; E17-C19 VanDerWaalsContact C-N 3.25Å; E17-C19 PolarHBondContact O-N 2.94Å; E17-I20 PolarHBondContact O-N 2.95Å; E17-V21 WeakPolarHBondContact O-CG2 3.45Å; E17-V21 PolarHBondContact O-N 3.4Å |
| 18 | E | 92.1 | Very high | 88.2 | Confident | 83 Ų | 83 | 90.4 Ų | 90.4 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.7 | -35.4 | 172.7 | -73.6 | -62.2 | 146.5 | 0 | 0 | 112.9 | E15 I20 V21 D22 S23 F26 | E15-E18 HydrophobicContact CB-CB 4.39Å; E15-E18 HydrophobicContact CB-CG 4.45Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 3.26Å; E18-V21 PolarHBondContact O-N 3.24Å; E18-D22 PolarHBondContact O-N 3.36Å; E18-S23 VanDerWaalsContact OE2-CB 3.3Å; E18-S23 WeakPolarHBondContact OE2-CB 3.39Å; E18-S23 PolarHBondContact OE2-OG 3.48Å; E18-F26 HydrophobicContact CB-CB 4.16Å; E18-F26 HydrophobicContact CB-CD2 4.25Å; E18-F26 HydrophobicContact CB-CG 4.48Å |
| 19 | C | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.007 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.3 | -25.6 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 114 | E15 F16 E17 F26 L187 V190 | E15-C19 WeakPolarHBondContact O-CB 3.43Å; E15-C19 PolarHBondContact O-N 3.37Å; E15-C19 VanDerWaalsContact O-N 3.08Å; F16-C19 PolarHBondContact O-N 3.49Å; E17-C19 VanDerWaalsContact C-N 3.25Å; E17-C19 PolarHBondContact O-N 2.94Å; C19-F26 HydrophobicContact CB-CD2 4.3Å; C19-F26 HydrophobicContact CB-CE1 4.3Å; C19-F26 HydrophobicContact CB-CE2 3.65Å; C19-F26 HydrophobicContact CB-CZ 3.66Å; C19-F26 VanDerWaalsContact SG-CZ 3.52Å; C19-L187 HydrophobicContact CB-CD2 4.26Å; C19-V190 HydrophobicContact CB-CG2 4.22Å |
| 20 | I | 93.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -86.1 | -37.4 | 176.2 | -68.5 | 162.4 | 0 | 0 | 0 | 110.6 | F16 E17 E18 D22 I183 L187 | F16-I20 WeakPolarHBondContact O-CD1 3.42Å; F16-I20 VanDerWaalsContact O-CG1 3.3Å; F16-I20 WeakPolarHBondContact O-CG1 3.48Å; F16-I20 PolarHBondContact O-N 3.24Å; F16-I20 VanDerWaalsContact O-N 3.15Å; E17-I20 PolarHBondContact O-N 2.95Å; E18-I20 VanDerWaalsContact C-N 3.3Å; E18-I20 PolarHBondContact O-N 3.26Å; I20-D22 PolarHBondContact O-N 3.39Å; I20-I183 HydrophobicContact CG1-CG2 4.16Å; I20-L187 HydrophobicContact CD1-CD2 4.39Å; I20-L187 HydrophobicContact CG1-CD2 4.19Å |
| 21 | V | 92.6 | Very high | 93 | Very high | 100 Ų | 100 | 69.3 Ų | 69.3 | 61% | 0.606 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.4 | -29 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | E17 E18 | E17-V21 WeakPolarHBondContact O-CG2 3.45Å; E17-V21 PolarHBondContact O-N 3.4Å; E18-V21 PolarHBondContact O-N 3.24Å |
| 22 | D | 92.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 27% | 0.267 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 45.3 | -176 | -161.8 | 26 | 0 | 0 | 0 | 113.4 | E18 I20 R27 Y182 | E18-D22 PolarHBondContact O-N 3.36Å; I20-D22 PolarHBondContact O-N 3.39Å; D22-R27 VanDerWaalsContact CG-NH2 3.29Å; D22-R27 IonicContact OD1-CZ 2.78Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.73Å; D22-R27 PolarHBondContact OD1-NE 2.9Å; D22-R27 IonicContact OD1-NH2 2.67Å; D22-R27 PolarHBondContact OD1-NH2 3.47Å; D22-R27 IonicContact OD2-CZ 3.48Å; D22-R27 IonicContact OD2-NE 3.94Å; D22-R27 IonicContact OD2-NH2 2.67Å; D22-R27 PolarHBondContact OD2-NH2 3.21Å; D22-Y182 PolarHBondContact OD1-OH 2.93Å; D22-Y182 PolarHBondContact OD2-OH 3.24Å |
| 23 | S | 93.2 | Very high | 93.6 | Very high | 14 Ų | 14 | 66.1 Ų | 66.1 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | trans | -65.4 | 154.8 | -175.5 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | E18 D25 F26 R27 | E18-S23 VanDerWaalsContact OE2-CB 3.3Å; E18-S23 WeakPolarHBondContact OE2-CB 3.39Å; E18-S23 PolarHBondContact OE2-OG 3.48Å; S23-D25 PolarHBondContact O-N 3.07Å; S23-F26 WeakPolarHBondContact O-CB 3.49Å; S23-F26 PolarHBondContact O-N 3.48Å; S23-F26 WeakPolarHBondContact OG-CB 3.11Å; S23-F26 PolarHBondContact OG-N 2.92Å; S23-R27 PolarHBondContact O-N 2.77Å | ||
| 24 | P | 93.7 | Very high | 93.7 | Very high | 109 Ų | 109 | 64.6 Ų | 64.6 | 71% | 0.708 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -56.6 | -37.4 | 171.1 | -25.5 | 35.8 | 0 | 0 | 0 | 112.5 | R27 E28 | P24-R27 PolarHBondContact O-N 3.19Å; P24-E28 PolarHBondContact O-N 3.43Å |
| 25 | D | 91.8 | Very high | 93.7 | Very high | 118 Ų | 118 | 70.5 Ų | 70.5 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.6 | -39.5 | 177.4 | -57.4 | -82.6 | 0 | 0 | 0 | 112.2 | S23 E28 N29 | S23-D25 PolarHBondContact O-N 3.07Å; D25-E28 PolarHBondContact O-N 3.12Å; D25-N29 PolarHBondContact O-N 2.93Å |
| 26 | F | 94.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59 | -48.7 | 168.9 | 170.6 | -108.5 | 0 | 0 | 0 | 111.3 | L14 E18 C19 S23 E28 N29 L30 V190 | L14-F26 HydrophobicContact CD2-CD2 4.47Å; L14-F26 HydrophobicContact CD2-CE2 4.23Å; E18-F26 HydrophobicContact CB-CB 4.16Å; E18-F26 HydrophobicContact CB-CD2 4.25Å; E18-F26 HydrophobicContact CB-CG 4.48Å; C19-F26 HydrophobicContact CB-CD2 4.3Å; C19-F26 HydrophobicContact CB-CE1 4.3Å; C19-F26 HydrophobicContact CB-CE2 3.65Å; C19-F26 HydrophobicContact CB-CZ 3.66Å; C19-F26 VanDerWaalsContact SG-CZ 3.52Å; S23-F26 WeakPolarHBondContact O-CB 3.49Å; S23-F26 PolarHBondContact O-N 3.48Å; S23-F26 WeakPolarHBondContact OG-CB 3.11Å; S23-F26 PolarHBondContact OG-N 2.92Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.47Å; F26-N29 PolarHBondContact O-N 3.48Å; F26-L30 HydrophobicContact CE1-CD2 4.15Å; F26-L30 HydrophobicContact CZ-CD2 4.13Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 PolarHBondContact O-N 2.87Å; F26-V190 HydrophobicContact CE2-CG2 3.75Å; F26-V190 HydrophobicContact CZ-CG2 3.61Å |
| 27 | R | 94.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 65.4 Ų | 65.4 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 178 | -71.4 | -74.9 | -177.5 | 170.3 | -4.4 | 112 | D22 S23 P24 N31 Y182 | D22-R27 VanDerWaalsContact CG-NH2 3.29Å; D22-R27 IonicContact OD1-CZ 2.78Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.73Å; D22-R27 PolarHBondContact OD1-NE 2.9Å; D22-R27 IonicContact OD1-NH2 2.67Å; D22-R27 PolarHBondContact OD1-NH2 3.47Å; D22-R27 IonicContact OD2-CZ 3.48Å; D22-R27 IonicContact OD2-NE 3.94Å; D22-R27 IonicContact OD2-NH2 2.67Å; D22-R27 PolarHBondContact OD2-NH2 3.21Å; S23-R27 PolarHBondContact O-N 2.77Å; P24-R27 PolarHBondContact O-N 3.19Å; R27-N31 VanDerWaalsContact O-CB 3.24Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.02Å; R27-N31 VanDerWaalsContact O-N 3.1Å; R27-Y182 PolarHBondContact NH2-OH 2.9Å; R27-Y182 VanDerWaalsContact NH2-OH 3.1Å |
| 28 | E | 94 | Very high | 93.7 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.8 | -43 | 172.4 | -179.3 | 162.3 | -178 | 0 | 0 | 112.4 | P24 D25 F26 N31 R32 | P24-E28 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 3.12Å; F26-E28 VanDerWaalsContact C-N 3.3Å; F26-E28 PolarHBondContact O-N 3.47Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.44Å; E28-R32 WeakPolarHBondContact O-CG 3.29Å; E28-R32 PolarHBondContact O-N 3.3Å |
| 29 | N | 94.3 | Very high | 93.8 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 7% | 0.07 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.7 | -45 | 176.6 | -164.5 | 20.1 | 0 | 0 | 0 | 111.6 | E12 P13 L14 D25 F26 N31 R32 H33 | E12-N29 PolarHBondContact O-ND2 2.92Å; E12-N29 PolarHBondContact O-OD1 3.2Å; P13-N29 PolarHBondContact O-ND2 2.97Å; L14-N29 HydrophobicContact CD2-CB 4.04Å; D25-N29 PolarHBondContact O-N 2.93Å; F26-N29 PolarHBondContact O-N 3.48Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.49Å; N29-R32 WeakPolarHBondContact O-CA 3.3Å; N29-R32 WeakPolarHBondContact O-CB 3.28Å; N29-R32 PolarHBondContact O-N 3.34Å; N29-R32 PolarHBondContact OD1-NH2 3.43Å; N29-H33 PolarHBondContact O-CD2 2.94Å; N29-H33 VanDerWaalsContact O-CD2 3.28Å; N29-H33 PolarHBondContact O-N 2.9Å; N29-H33 PolarHBondContact OD1-CD2 2.95Å |
| 30 | L | 94.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.9 | -43.6 | 173.8 | -174.7 | 65.2 | 0 | 0 | 0 | 111.5 | L14 F26 R32 H33 E34 F142 Y189 I193 | L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.33Å; F26-L30 HydrophobicContact CE1-CD2 4.15Å; F26-L30 HydrophobicContact CZ-CD2 4.13Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.36Å; F26-L30 PolarHBondContact O-N 2.87Å; L30-R32 PolarHBondContact O-N 3.44Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.05Å; L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 2.86Å; L30-F142 HydrophobicContact CD2-CE1 3.78Å; L30-F142 HydrophobicContact CD2-CZ 3.74Å; L30-Y189 HydrophobicContact CD1-CD1 4.3Å; L30-Y189 HydrophobicContact CD1-CE1 3.97Å; L30-Y189 HydrophobicContact CD2-CE1 4.21Å; L30-Y189 HydrophobicContact CG-CE1 4.4Å; L30-I193 HydrophobicContact CD1-CD1 3.43Å; L30-I193 VanDerWaalsContact CD1-CD1 3.43Å |
| 31 | N | 94.3 | Very high | 94 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.6 | -35.9 | 174.9 | -173.6 | -1.8 | 0 | 0 | 0 | 112.7 | R27 E28 N29 K35 | R27-N31 VanDerWaalsContact O-CB 3.24Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.02Å; R27-N31 VanDerWaalsContact O-N 3.1Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.44Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 3.49Å; N31-K35 VanDerWaalsContact CG-NZ 3.32Å; N31-K35 PolarHBondContact ND2-NZ 3.06Å; N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.28Å; N31-K35 VanDerWaalsContact O-CG 3.27Å; N31-K35 WeakPolarHBondContact O-CG 3.33Å; N31-K35 PolarHBondContact O-N 3.33Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.37Å; N31-K35 PolarHBondContact OD1-NZ 2.86Å |
| 32 | R | 94 | Very high | 94.1 | Very high | 84 Ų | 84 | 58.7 Ų | 58.7 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 171.4 | -70.5 | -177.4 | -80.2 | 151.6 | -7 | 111.5 | L11 E12 E28 N29 L30 K35 E36 | L11-R32 HydrophobicContact CD2-CB 3.88Å; E12-R32 IonicContact OE2-CZ 3.87Å; E12-R32 VanDerWaalsContact OE2-CZ 3.23Å; E12-R32 IonicContact OE2-NH1 3.24Å; E12-R32 PolarHBondContact OE2-NH1 2.97Å; E12-R32 IonicContact OE2-NH2 2.66Å; E12-R32 PolarHBondContact OE2-NH2 2.87Å; E28-R32 WeakPolarHBondContact O-CG 3.29Å; E28-R32 PolarHBondContact O-N 3.3Å; N29-R32 WeakPolarHBondContact O-CA 3.3Å; N29-R32 WeakPolarHBondContact O-CB 3.28Å; N29-R32 PolarHBondContact O-N 3.34Å; N29-R32 PolarHBondContact OD1-NH2 3.43Å; L30-R32 PolarHBondContact O-N 3.44Å; R32-K35 PolarHBondContact O-N 2.84Å; R32-E36 PolarHBondContact O-N 3.48Å; R32-E36 VanDerWaalsContact O-N 3.17Å |
| 33 | H | 95.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.2 | -83.1 | -107.2 | 0 | 0 | 0 | 113 | E12 L14 N29 L30 K35 E36 L37 I193 Q197 | E12-H33 PolarHBondContact O-NE2 3.41Å; L14-H33 HydrophobicContact CD1-CB 4.16Å; N29-H33 PolarHBondContact O-CD2 2.94Å; N29-H33 VanDerWaalsContact O-CD2 3.28Å; N29-H33 PolarHBondContact O-N 2.9Å; N29-H33 PolarHBondContact OD1-CD2 2.95Å; L30-H33 WeakPolarHBondContact O-CB 3.49Å; L30-H33 PolarHBondContact O-N 3.05Å; H33-K35 PolarHBondContact O-N 2.97Å; H33-E36 PolarHBondContact O-N 3.44Å; H33-L37 WeakPolarHBondContact O-CB 3.35Å; H33-L37 PolarHBondContact O-N 2.67Å; H33-I193 HydrophobicContact CB-CG2 3.94Å; H33-Q197 PolarHBondContact CE1-OE1 3.1Å; H33-Q197 PolarHBondContact ND1-NE2 3.31Å; H33-Q197 PolarHBondContact ND1-OE1 3.43Å |
| 34 | E | 94.4 | Very high | 94.3 | Very high | 44 Ų | 44 | 58.9 Ų | 58.9 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.8 | -75.6 | -176.4 | -174.4 | 0 | 0 | 112.2 | L30 L37 D38 K139 Y189 | L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 2.86Å; E34-L37 PolarHBondContact O-N 3.04Å; E34-D38 PolarHBondContact O-N 2.99Å; E34-K139 VanDerWaalsContact CD-CE 3.42Å; E34-K139 WeakPolarHBondContact OE1-CE 3.42Å; E34-K139 WeakPolarHBondContact OE2-CE 3.45Å; E34-Y189 VanDerWaalsContact CD-OH 3.23Å; E34-Y189 WeakPolarHBondContact CG-OH 3.38Å; E34-Y189 WeakPolarHBondContact OE1-CE1 3.2Å; E34-Y189 PolarHBondContact OE1-OH 3.49Å |
| 35 | K | 94.2 | Very high | 94.5 | Very high | 128 Ų | 128 | 59.9 Ų | 59.9 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 178.2 | -77 | 164.4 | 176 | 149.3 | 0 | 112.6 | N31 R32 H33 D38 H39 | N31-K35 VanDerWaalsContact CG-NZ 3.32Å; N31-K35 PolarHBondContact ND2-NZ 3.06Å; N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.28Å; N31-K35 VanDerWaalsContact O-CG 3.27Å; N31-K35 WeakPolarHBondContact O-CG 3.33Å; N31-K35 PolarHBondContact O-N 3.33Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.37Å; N31-K35 PolarHBondContact OD1-NZ 2.86Å; R32-K35 PolarHBondContact O-N 2.84Å; H33-K35 PolarHBondContact O-N 2.97Å; K35-D38 PolarHBondContact O-N 3.29Å; K35-H39 WeakPolarHBondContact O-CB 3.43Å; K35-H39 PolarHBondContact O-N 3.37Å |
| 36 | E | 93.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 61.8 Ų | 61.8 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.5 | -38.3 | 178.6 | -176.2 | 51.1 | -130.7 | 0 | 0 | 111.7 | L11 R32 H33 D38 H39 T40 | L11-E36 HydrophobicContact CD1-CB 3.97Å; L11-E36 HydrophobicContact CD1-CG 4.15Å; R32-E36 PolarHBondContact O-N 3.48Å; R32-E36 VanDerWaalsContact O-N 3.17Å; H33-E36 PolarHBondContact O-N 3.44Å; E36-D38 PolarHBondContact O-N 3.4Å; E36-H39 WeakPolarHBondContact O-CB 3.3Å; E36-H39 PolarHBondContact O-N 2.82Å; E36-H39 IonicContact OE1-CD2 2.71Å; E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 3.19Å; E36-T40 PolarHBondContact O-OG1 2.78Å; E36-T40 PolarHBondContact OE1-OG1 3.22Å |
| 37 | L | 93.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.4 | -176 | 65.2 | 0 | 0 | 0 | 111.9 | H33 E34 S41 I132 V135 V196 I200 | H33-L37 WeakPolarHBondContact O-CB 3.35Å; H33-L37 PolarHBondContact O-N 2.67Å; E34-L37 PolarHBondContact O-N 3.04Å; L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; L37-I132 HydrophobicContact CD1-CB 4.38Å; L37-I132 HydrophobicContact CD1-CD1 4.4Å; L37-I132 HydrophobicContact CD1-CG1 3.99Å; L37-I132 HydrophobicContact CD1-CG2 3.86Å; L37-I132 HydrophobicContact CD2-CG2 4.49Å; L37-I132 HydrophobicContact CG-CG2 3.96Å; L37-V135 HydrophobicContact CD2-CB 3.7Å; L37-V135 HydrophobicContact CD2-CG1 3.54Å; L37-V135 HydrophobicContact CD2-CG2 3.77Å; L37-V196 HydrophobicContact CD1-CG1 3.87Å; L37-I200 HydrophobicContact CD1-CD1 4.48Å |
| 38 | D | 93.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 31% | 0.305 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.4 | -37.7 | 173.1 | -105 | -33 | 0 | 0 | 0 | 112.5 | E34 K35 E36 S41 H42 K136 | E34-D38 PolarHBondContact O-N 2.99Å; K35-D38 PolarHBondContact O-N 3.29Å; E36-D38 PolarHBondContact O-N 3.4Å; D38-S41 WeakPolarHBondContact O-CB 3.3Å; D38-S41 PolarHBondContact O-N 3.31Å; D38-H42 PolarHBondContact O-N 3.21Å; D38-H42 VanDerWaalsContact O-N 3.1Å; D38-H42 PolarHBondContact O-ND1 3.41Å; D38-K136 WeakPolarHBondContact OD1-CE 3.49Å; D38-K136 IonicContact OD1-NZ 3.55Å; D38-K136 PolarHBondContact OD1-NZ 3.03Å; D38-K136 IonicContact OD2-NZ 2.7Å; D38-K136 PolarHBondContact OD2-NZ 3.2Å |
| 39 | H | 94.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.44 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 172.3 | -175 | 81.2 | 0 | 0 | 0 | 110.9 | K35 E36 S41 H42 Q43 | K35-H39 WeakPolarHBondContact O-CB 3.43Å; K35-H39 PolarHBondContact O-N 3.37Å; E36-H39 WeakPolarHBondContact O-CB 3.3Å; E36-H39 PolarHBondContact O-N 2.82Å; E36-H39 IonicContact OE1-CD2 2.71Å; H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.35Å; H39-H42 WeakPolarHBondContact O-CB 3.43Å; H39-H42 PolarHBondContact O-N 2.91Å; H39-Q43 PolarHBondContact CE1-NE2 3.29Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 2.87Å; H39-Q43 PolarHBondContact O-N 2.85Å |
| 40 | T | 94.2 | Very high | 95 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -42 | 175.3 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | E36 H42 Q43 I44 I132 I200 | E36-T40 WeakPolarHBondContact O-CB 3.38Å; E36-T40 PolarHBondContact O-N 3.19Å; E36-T40 PolarHBondContact O-OG1 2.78Å; E36-T40 PolarHBondContact OE1-OG1 3.22Å; T40-H42 PolarHBondContact O-N 2.86Å; T40-Q43 PolarHBondContact O-N 3.33Å; T40-I44 HydrophobicContact CG2-CD1 3.74Å; T40-I44 HydrophobicContact CG2-CG1 4.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.36Å; T40-I44 PolarHBondContact O-N 2.85Å; T40-I132 HydrophobicContact CG2-CD1 4.12Å; T40-I200 HydrophobicContact CG2-CD1 3.94Å |
| 41 | S | 94.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 4% | 0.035 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.1 | -34 | 174.8 | -163.9 | 0 | 0 | 0 | 0 | 113.4 | L37 D38 H39 K45 R128 | L37-S41 WeakPolarHBondContact O-CB 3.37Å; L37-S41 PolarHBondContact O-N 3.09Å; D38-S41 WeakPolarHBondContact O-CB 3.3Å; D38-S41 PolarHBondContact O-N 3.31Å; H39-S41 VanDerWaalsContact C-N 3.31Å; H39-S41 PolarHBondContact O-N 3.35Å; S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 PolarHBondContact O-N 3.42Å; S41-R128 PolarHBondContact O-NE 3.26Å; S41-R128 PolarHBondContact OG-NH2 3.21Å |
| 42 | H | 95.6 | Very high | 94.9 | Very high | 107 Ų | 107 | 65.5 Ų | 65.5 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -78.1 | -40.4 | 175.9 | -72.7 | 86.3 | 0 | 0 | 0 | 112.3 | D38 H39 T40 K45 R46 | D38-H42 PolarHBondContact O-N 3.21Å; D38-H42 VanDerWaalsContact O-N 3.1Å; D38-H42 PolarHBondContact O-ND1 3.41Å; H39-H42 WeakPolarHBondContact O-CB 3.43Å; H39-H42 PolarHBondContact O-N 2.91Å; T40-H42 PolarHBondContact O-N 2.86Å; H42-K45 WeakPolarHBondContact O-CB 3.47Å; H42-K45 PolarHBondContact O-N 3.45Å; H42-R46 PolarHBondContact O-N 3.03Å |
| 43 | Q | 95.4 | Very high | 95 | Very high | 64 Ų | 64 | 65.4 Ų | 65.4 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176 | -59.1 | -65.2 | 13.6 | 0 | 0 | 111.7 | H39 T40 K45 R46 I47 | H39-Q43 PolarHBondContact CE1-NE2 3.29Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 2.87Å; H39-Q43 PolarHBondContact O-N 2.85Å; T40-Q43 PolarHBondContact O-N 3.33Å; Q43-K45 VanDerWaalsContact C-N 3.29Å; Q43-K45 PolarHBondContact O-N 3.47Å; Q43-R46 WeakPolarHBondContact O-CB 3.41Å; Q43-R46 PolarHBondContact O-N 3.45Å; Q43-I47 WeakPolarHBondContact O-CG1 3.37Å; Q43-I47 PolarHBondContact O-N 2.67Å |
| 44 | I | 95.3 | Very high | 95 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 174.7 | -64.7 | 176 | 0 | 0 | 0 | 110.9 | T40 R46 I47 I48 F127 R128 I132 F204 | T40-I44 HydrophobicContact CG2-CD1 3.74Å; T40-I44 HydrophobicContact CG2-CG1 4.25Å; T40-I44 WeakPolarHBondContact O-CG1 3.36Å; T40-I44 PolarHBondContact O-N 2.85Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.28Å; I44-I47 PolarHBondContact O-N 2.93Å; I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.46Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.23Å; I44-I48 PolarHBondContact O-N 2.77Å; I44-F127 HydrophobicContact CD1-CD1 4.13Å; I44-F127 HydrophobicContact CD1-CE1 4Å; I44-R128 HydrophobicContact CG2-CB 4.07Å; I44-R128 HydrophobicContact CG2-CG 4.29Å; I44-I132 HydrophobicContact CD1-CD1 3.74Å; I44-F204 HydrophobicContact CB-CE2 4.45Å; I44-F204 HydrophobicContact CD1-CD2 3.95Å; I44-F204 HydrophobicContact CD1-CE2 3.81Å; I44-F204 HydrophobicContact CD1-CG 4.48Å; I44-F204 HydrophobicContact CD1-CZ 4.22Å; I44-F204 HydrophobicContact CG1-CD2 4.33Å; I44-F204 HydrophobicContact CG1-CE2 3.66Å; I44-F204 HydrophobicContact CG1-CZ 3.84Å; I44-F204 HydrophobicContact CG2-CE2 4.09Å |
| 45 | K | 96.2 | Very high | 94.9 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 173.4 | -167.4 | -175.5 | 176.2 | -171.9 | 0 | 112.3 | S41 H42 Q43 K49 | S41-K45 WeakPolarHBondContact O-CB 3.45Å; S41-K45 PolarHBondContact O-N 3.42Å; H42-K45 WeakPolarHBondContact O-CB 3.47Å; H42-K45 PolarHBondContact O-N 3.45Å; Q43-K45 VanDerWaalsContact C-N 3.29Å; Q43-K45 PolarHBondContact O-N 3.47Å; K45-K49 PolarHBondContact O-N 3.08Å |
| 46 | R | 97.3 | Very high | 94.9 | Very high | 158 Ų | 158 | 64.2 Ų | 64.2 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68 | -46.5 | 174.2 | -67.9 | 174.4 | 66 | -150 | 3.8 | 111.4 | H42 Q43 I44 I48 K49 E50 | H42-R46 PolarHBondContact O-N 3.03Å; Q43-R46 WeakPolarHBondContact O-CB 3.41Å; Q43-R46 PolarHBondContact O-N 3.45Å; I44-R46 VanDerWaalsContact C-N 3.31Å; I44-R46 PolarHBondContact O-N 3.28Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.26Å; R46-K49 WeakPolarHBondContact O-CA 3.48Å; R46-K49 WeakPolarHBondContact O-CB 3.22Å; R46-K49 PolarHBondContact O-N 3.28Å; R46-E50 PolarHBondContact O-N 2.89Å |
| 47 | I | 95.6 | Very high | 95 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.5 | -44.7 | 177.5 | -66.3 | 166.6 | 0 | 0 | 0 | 110.8 | Q43 I44 K49 E50 V51 F204 L208 | Q43-I47 WeakPolarHBondContact O-CG1 3.37Å; Q43-I47 PolarHBondContact O-N 2.67Å; I44-I47 PolarHBondContact O-N 2.93Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.29Å; I47-E50 PolarHBondContact O-N 2.97Å; I47-V51 HydrophobicContact CG2-CG2 4.27Å; I47-V51 WeakPolarHBondContact O-CB 3.23Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.12Å; I47-V51 PolarHBondContact O-N 3.25Å; I47-F204 HydrophobicContact CD1-CZ 4.05Å; I47-L208 HydrophobicContact CG2-CD2 4.27Å |
| 48 | I | 95 | Very high | 95.1 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 175.6 | -69 | 162.2 | 0 | 0 | 0 | 112 | I44 R46 K52 L124 E125 R128 | I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 HydrophobicContact CG2-CG1 4.42Å; I44-I48 WeakPolarHBondContact O-CD1 3.46Å; I44-I48 VanDerWaalsContact O-CG1 3.29Å; I44-I48 WeakPolarHBondContact O-CG1 3.23Å; I44-I48 PolarHBondContact O-N 2.77Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.26Å; I48-K52 HydrophobicContact CG2-CD 4.24Å; I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 WeakPolarHBondContact O-CG 3.42Å; I48-K52 PolarHBondContact O-N 3.08Å; I48-K52 VanDerWaalsContact O-N 3.11Å; I48-L124 HydrophobicContact CD1-CB 4.03Å; I48-L124 HydrophobicContact CG1-CB 3.66Å; I48-L124 HydrophobicContact CG1-CD1 4.19Å; I48-E125 HydrophobicContact CD1-CG 4.12Å; I48-E125 HydrophobicContact CG2-CG 4.06Å; I48-R128 HydrophobicContact CD1-CB 4.44Å |
| 49 | K | 96.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 63.5 Ų | 63.5 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -54.5 | 174.9 | -179 | -162.6 | 155.3 | -64.2 | 0 | 110.8 | K45 R46 I47 V51 K52 D53 | K45-K49 PolarHBondContact O-N 3.08Å; R46-K49 WeakPolarHBondContact O-CA 3.48Å; R46-K49 WeakPolarHBondContact O-CB 3.22Å; R46-K49 PolarHBondContact O-N 3.28Å; I47-K49 VanDerWaalsContact C-N 3.3Å; I47-K49 PolarHBondContact O-N 3.29Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.97Å; K49-K52 WeakPolarHBondContact O-CB 3.43Å; K49-K52 PolarHBondContact O-N 3.14Å; K49-K52 VanDerWaalsContact O-N 3.07Å; K49-D53 WeakPolarHBondContact CE-OD2 3.47Å; K49-D53 IonicContact NZ-OD2 3.2Å; K49-D53 PolarHBondContact NZ-OD2 2.9Å; K49-D53 PolarHBondContact O-N 2.78Å |
| 50 | E | 96.2 | Very high | 95.3 | Very high | 101 Ų | 101 | 63.7 Ų | 63.7 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | -175.8 | -52.5 | -42.8 | 131.2 | 0 | 0 | 112.3 | R46 I47 D53 L54 | R46-E50 PolarHBondContact O-N 2.89Å; I47-E50 PolarHBondContact O-N 2.97Å; E50-D53 PolarHBondContact O-N 3.43Å; E50-L54 VanDerWaalsContact O-CB 3.23Å; E50-L54 WeakPolarHBondContact O-CB 3.44Å; E50-L54 PolarHBondContact O-N 2.73Å |
| 51 | V | 93.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 171.9 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | I47 K49 M55 I121 F211 | I47-V51 HydrophobicContact CG2-CG2 4.27Å; I47-V51 WeakPolarHBondContact O-CB 3.23Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.12Å; I47-V51 PolarHBondContact O-N 3.25Å; K49-V51 VanDerWaalsContact C-N 3.3Å; K49-V51 PolarHBondContact O-N 2.97Å; V51-M55 HydrophobicContact CG1-SD 4.4Å; V51-M55 WeakPolarHBondContact O-CB 3.43Å; V51-M55 WeakPolarHBondContact O-CG 3.46Å; V51-M55 PolarHBondContact O-N 2.89Å; V51-I121 HydrophobicContact CG1-CD1 4.42Å; V51-I121 HydrophobicContact CG1-CG1 3.99Å; V51-F211 HydrophobicContact CG1-CE2 4.02Å; V51-F211 HydrophobicContact CG1-CZ 4.21Å; V51-F211 HydrophobicContact CG2-CZ 4.41Å |
| 52 | K | 94.3 | Very high | 95.4 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 35% | 0.352 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.4 | -81.6 | 178.2 | 169.8 | -173.1 | 0 | 112.5 | I48 K49 M55 S56 I121 E125 | I48-K52 HydrophobicContact CG2-CD 4.24Å; I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 WeakPolarHBondContact O-CG 3.42Å; I48-K52 PolarHBondContact O-N 3.08Å; I48-K52 VanDerWaalsContact O-N 3.11Å; K49-K52 WeakPolarHBondContact O-CB 3.43Å; K49-K52 PolarHBondContact O-N 3.14Å; K49-K52 VanDerWaalsContact O-N 3.07Å; K52-M55 PolarHBondContact O-N 3.44Å; K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.74Å; K52-I121 HydrophobicContact CG-CD1 3.68Å; K52-I121 HydrophobicContact CG-CG1 4.16Å; K52-I121 HydrophobicContact CG-CG2 4.48Å; K52-E125 IonicContact NZ-OE1 2.79Å; K52-E125 PolarHBondContact NZ-OE1 2.8Å |
| 53 | D | 95.7 | Very high | 95.5 | Very high | 81 Ų | 81 | 65.5 Ų | 65.5 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.9 | -42.3 | -179.7 | -66.3 | -20.2 | 0 | 0 | 0 | 111.3 | K49 E50 S56 A57 | K49-D53 WeakPolarHBondContact CE-OD2 3.47Å; K49-D53 IonicContact NZ-OD2 3.2Å; K49-D53 PolarHBondContact NZ-OD2 2.9Å; K49-D53 PolarHBondContact O-N 2.78Å; E50-D53 PolarHBondContact O-N 3.43Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.07Å; D53-A57 PolarHBondContact O-N 3.1Å |
| 54 | L | 94.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 171.5 | 171.7 | 58.4 | 0 | 0 | 0 | 112 | E50 S56 A57 A58 F211 W215 | E50-L54 VanDerWaalsContact O-CB 3.23Å; E50-L54 WeakPolarHBondContact O-CB 3.44Å; E50-L54 PolarHBondContact O-N 2.73Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.67Å; L54-A57 PolarHBondContact O-N 2.7Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.12Å; L54-F211 HydrophobicContact CD2-CE1 4.48Å; L54-F211 HydrophobicContact CD2-CZ 3.98Å; L54-W215 HydrophobicContact CD2-CZ2 4.43Å; L54-W215 HydrophobicContact CG-CZ2 4.33Å |
| 55 | M | 92.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 177.8 | -79.2 | -168.4 | 54.3 | 0 | 0 | 113 | V51 K52 A58 K59 L113 A116 D117 I121 | V51-M55 HydrophobicContact CG1-SD 4.4Å; V51-M55 WeakPolarHBondContact O-CB 3.43Å; V51-M55 WeakPolarHBondContact O-CG 3.46Å; V51-M55 PolarHBondContact O-N 2.89Å; K52-M55 PolarHBondContact O-N 3.44Å; M55-A58 PolarHBondContact O-N 3.3Å; M55-K59 WeakPolarHBondContact O-CB 2.97Å; M55-K59 VanDerWaalsContact O-CG 3.3Å; M55-K59 WeakPolarHBondContact O-CG 3.33Å; M55-K59 PolarHBondContact O-N 3.43Å; M55-L113 HydrophobicContact CE-CD2 4.48Å; M55-L113 WeakPolarHBondContact CE-O 3.42Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; M55-A116 HydrophobicContact CE-CB 3.87Å; M55-A116 HydrophobicContact SD-CB 3.62Å; M55-D117 HydrophobicContact CE-CB 3.77Å; M55-D117 WeakPolarHBondContact CE-OD1 3.48Å; M55-I121 HydrophobicContact CE-CD1 4.16Å; M55-I121 HydrophobicContact SD-CD1 3.49Å; M55-I121 WeakPolarHBondContact SD-CD1 3.48Å; M55-I121 HydrophobicContact SD-CG1 4.25Å |
| 56 | S | 94 | Very high | 95.7 | Very high | 65 Ų | 65 | 69.4 Ų | 69.4 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 172.4 | -171.5 | 0 | 0 | 0 | 0 | 111 | K52 D53 L54 A58 K59 I60 | K52-S56 WeakPolarHBondContact O-CB 3.38Å; K52-S56 PolarHBondContact O-N 2.74Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.67Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.67Å; S56-K59 PolarHBondContact O-N 3.16Å; S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 3.16Å |
| 57 | A | 96.7 | Very high | 95.7 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 46% | 0.463 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | D53 L54 I60 L61 | D53-A57 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.7Å; A57-I60 PolarHBondContact O-N 2.93Å; A57-L61 PolarHBondContact O-N 3.37Å |
| 58 | A | 95.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.6 | -37.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L54 M55 S56 L61 S62 L113 W215 | L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 3.12Å; M55-A58 PolarHBondContact O-N 3.3Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 2.67Å; A58-L61 PolarHBondContact O-N 2.95Å; A58-S62 PolarHBondContact O-N 3.28Å; A58-L113 HydrophobicContact CB-CD1 3.89Å; A58-L113 HydrophobicContact CB-CD2 3.6Å; A58-L113 HydrophobicContact CB-CG 4.37Å; A58-W215 HydrophobicContact CB-CH2 3.96Å |
| 59 | K | 95.1 | Very high | 95.9 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 35% | 0.352 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 171.5 | -75.3 | 171.6 | 175.7 | 176.1 | 0 | 111.6 | M55 S56 S62 T63 L113 D117 | M55-K59 WeakPolarHBondContact O-CB 2.97Å; M55-K59 VanDerWaalsContact O-CG 3.3Å; M55-K59 WeakPolarHBondContact O-CG 3.33Å; M55-K59 PolarHBondContact O-N 3.43Å; S56-K59 PolarHBondContact O-N 3.16Å; K59-S62 PolarHBondContact O-N 3.24Å; K59-T63 WeakPolarHBondContact O-CB 3.28Å; K59-T63 PolarHBondContact O-N 2.95Å; K59-T63 PolarHBondContact O-OG1 3.48Å; K59-L113 HydrophobicContact CG-CD1 4.08Å; K59-D117 VanDerWaalsContact NZ-CG 3.3Å; K59-D117 IonicContact NZ-OD1 2.68Å; K59-D117 IonicContact NZ-OD2 2.73Å; K59-D117 PolarHBondContact NZ-OD2 3.2Å |
| 60 | I | 96.3 | Very high | 95.9 | Very high | 99 Ų | 99 | 66.2 Ų | 66.2 | 51% | 0.508 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 174.3 | -67.7 | 165.1 | 0 | 0 | 0 | 110.7 | S56 A57 S62 T63 R64 | S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 2.93Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.23Å; I60-T63 PolarHBondContact O-N 3.38Å; I60-R64 WeakPolarHBondContact O-CG 3.3Å; I60-R64 PolarHBondContact O-N 3.26Å |
| 61 | L | 96.9 | Very high | 95.9 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 41% | 0.408 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.8 | -48.9 | 176.9 | 175.4 | 59.4 | 0 | 0 | 0 | 111.3 | A57 A58 T63 R64 M65 | A57-L61 PolarHBondContact O-N 3.37Å; A58-L61 PolarHBondContact O-N 2.95Å; L61-T63 PolarHBondContact O-N 2.84Å; L61-R64 PolarHBondContact O-N 3.35Å; L61-R64 VanDerWaalsContact O-N 3.16Å; L61-M65 HydrophobicContact CD1-CG 3.91Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 3.47Å |
| 62 | S | 96 | Very high | 96.1 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 179.2 | -156.3 | 0 | 0 | 0 | 0 | 112.3 | A58 K59 I60 R64 M65 K66 E106 | A58-S62 PolarHBondContact O-N 3.28Å; K59-S62 PolarHBondContact O-N 3.24Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.23Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 2.88Å; S62-M65 PolarHBondContact O-N 2.91Å; S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.01Å; S62-E106 WeakPolarHBondContact CA-OE2 3.47Å; S62-E106 WeakPolarHBondContact CB-OE2 3.47Å; S62-E106 PolarHBondContact OG-O 3.1Å; S62-E106 PolarHBondContact OG-OE2 3.37Å |
| 63 | T | 96 | Very high | 96 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.8 | -41.2 | 176 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | K59 I60 L61 Q67 | K59-T63 WeakPolarHBondContact O-CB 3.28Å; K59-T63 PolarHBondContact O-N 2.95Å; K59-T63 PolarHBondContact O-OG1 3.48Å; I60-T63 PolarHBondContact O-N 3.38Å; L61-T63 PolarHBondContact O-N 2.84Å; T63-Q67 WeakPolarHBondContact O-CB 3.28Å; T63-Q67 PolarHBondContact O-N 3.44Å; T63-Q67 VanDerWaalsContact O-N 3.1Å |
| 64 | R | 97.5 | Very high | 95.8 | Very high | 178 Ų | 178 | 68.7 Ų | 68.7 | 67% | 0.672 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.6 | -38.7 | 178.5 | -64 | -58.6 | 179.4 | -169.4 | -1.7 | 112.7 | I60 L61 S62 Q67 L68 | I60-R64 WeakPolarHBondContact O-CG 3.3Å; I60-R64 PolarHBondContact O-N 3.26Å; L61-R64 PolarHBondContact O-N 3.35Å; L61-R64 VanDerWaalsContact O-N 3.16Å; S62-R64 VanDerWaalsContact C-N 3.29Å; S62-R64 PolarHBondContact O-N 2.88Å; R64-Q67 PolarHBondContact O-N 2.57Å; R64-L68 PolarHBondContact O-N 3.3Å |
| 65 | M | 97.5 | Very high | 95.6 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.5 | -70.9 | -72.8 | -79.3 | 0 | 0 | 111.9 | L61 S62 Q67 L68 A69 I102 E106 | L61-M65 HydrophobicContact CD1-CG 3.91Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 WeakPolarHBondContact O-CG 3.48Å; L61-M65 PolarHBondContact O-N 3.47Å; S62-M65 PolarHBondContact O-N 2.91Å; M65-Q67 PolarHBondContact O-N 2.97Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 3.21Å; M65-A69 PolarHBondContact O-N 3.46Å; M65-I102 HydrophobicContact CB-CG2 4.12Å; M65-I102 HydrophobicContact CE-CG2 4.06Å; M65-I102 WeakPolarHBondContact O-CG2 3.3Å; M65-E106 HydrophobicContact CB-CG 3.5Å; M65-E106 HydrophobicContact CG-CG 4.41Å |
| 66 | K | 96.6 | Very high | 95.4 | Very high | 43 Ų | 43 | 74.5 Ų | 74.5 | 19% | 0.187 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 172.1 | -66.2 | -168.5 | -172.8 | -161.5 | 0 | 112.4 | S62 L68 A69 I70 E106 D107 E110 | S62-K66 WeakPolarHBondContact O-CG 3.28Å; S62-K66 PolarHBondContact O-N 3.01Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 2.66Å; K66-I70 VanDerWaalsContact O-N 3.09Å; K66-E106 HydrophobicContact CD-CB 4.31Å; K66-E106 VanDerWaalsContact CE-C 3.41Å; K66-E106 WeakPolarHBondContact CE-O 3.42Å; K66-E106 HydrophobicContact CG-CB 3.74Å; K66-E106 HydrophobicContact CG-CG 4.46Å; K66-E106 PolarHBondContact NZ-O 2.79Å; K66-D107 IonicContact NZ-OD1 3.59Å; K66-D107 PolarHBondContact NZ-OD1 3.05Å; K66-E110 IonicContact NZ-OE2 2.75Å; K66-E110 PolarHBondContact NZ-OE2 3.49Å |
| 67 | Q | 97 | Very high | 95 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 43% | 0.425 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 173.4 | -176.2 | 60 | 82.4 | 0 | 0 | 112.7 | T63 R64 M65 L71 | T63-Q67 WeakPolarHBondContact O-CB 3.28Å; T63-Q67 PolarHBondContact O-N 3.44Å; T63-Q67 VanDerWaalsContact O-N 3.1Å; R64-Q67 PolarHBondContact O-N 2.57Å; M65-Q67 PolarHBondContact O-N 2.97Å; Q67-L71 WeakPolarHBondContact O-CG 3.31Å; Q67-L71 PolarHBondContact O-N 3.1Å |
| 68 | L | 97.5 | Very high | 94.4 | Very high | 78 Ų | 78 | 82 Ų | 82 | 41% | 0.408 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 172.5 | 176.3 | 61.2 | 0 | 0 | 0 | 111.4 | R64 M65 K66 I70 L71 L72 I102 | R64-L68 PolarHBondContact O-N 3.3Å; M65-L68 WeakPolarHBondContact O-CB 3.45Å; M65-L68 PolarHBondContact O-N 3.21Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; L68-I70 VanDerWaalsContact C-N 3.31Å; L68-I70 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 2.89Å; L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CG 3.11Å; L68-L72 PolarHBondContact O-N 3.36Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å |
| 69 | A | 97.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 84.3 Ų | 84.3 | 8% | 0.083 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | M65 K66 L72 N73 G99 I102 | M65-A69 PolarHBondContact O-N 3.46Å; K66-A69 WeakPolarHBondContact O-CB 3.42Å; K66-A69 PolarHBondContact O-N 2.99Å; A69-L72 PolarHBondContact O-N 3.31Å; A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.75Å; A69-N73 VanDerWaalsContact O-N 3.07Å; A69-G99 WeakPolarHBondContact CB-O 3.41Å; A69-I102 HydrophobicContact CB-CB 4.11Å; A69-I102 HydrophobicContact CB-CG2 3.96Å |
| 70 | I | 96.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 87.3 Ų | 87.3 | 44% | 0.441 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 174.9 | -67 | 163.8 | 0 | 0 | 0 | 110.6 | K66 L68 L72 N73 D74 | K66-I70 WeakPolarHBondContact O-CG1 3.28Å; K66-I70 PolarHBondContact O-N 2.66Å; K66-I70 VanDerWaalsContact O-N 3.09Å; L68-I70 VanDerWaalsContact C-N 3.31Å; L68-I70 PolarHBondContact O-N 2.85Å; I70-L72 VanDerWaalsContact C-N 3.27Å; I70-L72 PolarHBondContact O-N 3.33Å; I70-N73 PolarHBondContact O-N 3.35Å; I70-D74 WeakPolarHBondContact CG2-OD2 3.04Å; I70-D74 PolarHBondContact O-N 3.36Å |
| 71 | L | 96.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 84.9 Ų | 84.9 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.2 | -34.8 | -179.6 | -68.7 | 170.3 | 0 | 0 | 0 | 112.9 | Q67 L68 F75 | Q67-L71 WeakPolarHBondContact O-CG 3.31Å; Q67-L71 PolarHBondContact O-N 3.1Å; L68-L71 PolarHBondContact O-N 2.89Å; L71-F75 PolarHBondContact O-N 3.36Å |
| 72 | L | 96.7 | Very high | 91 | Very high | 33 Ų | 33 | 86.7 Ų | 86.7 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.1 | -31 | 174.6 | -70.3 | 169.1 | 0 | 0 | 0 | 112.7 | L68 A69 I70 L95 K96 F98 I102 | L68-L72 HydrophobicContact CD1-CD1 4.09Å; L68-L72 HydrophobicContact CD1-CG 4.13Å; L68-L72 HydrophobicContact CG-CD1 3.91Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CG 3.11Å; L68-L72 PolarHBondContact O-N 3.36Å; A69-L72 PolarHBondContact O-N 3.31Å; I70-L72 VanDerWaalsContact C-N 3.27Å; I70-L72 PolarHBondContact O-N 3.33Å; L72-L95 HydrophobicContact CB-CB 4.36Å; L72-L95 WeakPolarHBondContact CB-O 3.48Å; L72-L95 HydrophobicContact CD2-CB 4.22Å; L72-L95 HydrophobicContact CD2-CD2 4.1Å; L72-L95 CarbonylContact O-C 3.53Å; L72-L95 VanDerWaalsContact O-C 3.25Å; L72-L95 WeakPolarHBondContact O-CB 3.38Å; L72-K96 PolarHBondContact O-N 3.48Å; L72-F98 HydrophobicContact CD1-CB 4.25Å; L72-I102 HydrophobicContact CD1-CD1 3.72Å |
| 73 | N | 92.7 | Very high | 90.4 | Very high | 80 Ų | 80 | 87.7 Ų | 87.7 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -79.6 | -34 | 178.1 | -173.8 | 65.3 | 0 | 0 | 0 | 113.2 | A69 I70 F75 K96 | A69-N73 WeakPolarHBondContact O-CB 3.49Å; A69-N73 PolarHBondContact O-N 2.75Å; A69-N73 VanDerWaalsContact O-N 3.07Å; I70-N73 PolarHBondContact O-N 3.35Å; N73-F75 VanDerWaalsContact C-N 3.33Å; N73-K96 WeakPolarHBondContact O-CE 3.41Å |
| 74 | D | 92.3 | Very high | 89.9 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 57% | 0.572 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -79.2 | -16.3 | 177.9 | -66.1 | -17.2 | 0 | 0 | 0 | 112.8 | I70 N76 | I70-D74 WeakPolarHBondContact CG2-OD2 3.04Å; I70-D74 PolarHBondContact O-N 3.36Å; D74-N76 PolarHBondContact O-ND2 3.42Å |
| 75 | F | 91 | Very high | 89.6 | Confident | 103 Ų | 103 | 77.9 Ų | 77.9 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | trans | -68.6 | 135.2 | 176.2 | -163.9 | -79.5 | 0 | 0 | 0 | 111.7 | L71 N73 F77 L95 | L71-F75 PolarHBondContact O-N 3.36Å; N73-F75 VanDerWaalsContact C-N 3.33Å; F75-F77 AromaticContact CD1-CD2 4Å; F75-F77 HydrophobicContact CD1-CD2 4Å; F75-F77 AromaticContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CG 4.42Å; F75-F77 HydrophobicContact CD1-CZ 4.25Å; F75-F77 AromaticContact CE1-CD1 3.84Å; F75-F77 HydrophobicContact CE1-CD1 3.84Å; F75-F77 AromaticContact CE1-CD2 3.89Å; F75-F77 HydrophobicContact CE1-CD2 3.89Å; F75-F77 AromaticContact CE1-CE1 3.83Å; F75-F77 HydrophobicContact CE1-CE1 3.83Å; F75-F77 AromaticContact CE1-CE2 3.9Å; F75-F77 HydrophobicContact CE1-CE2 3.9Å; F75-F77 AromaticContact CE1-CG 3.88Å; F75-F77 HydrophobicContact CE1-CG 3.88Å; F75-F77 AromaticContact CE1-CZ 3.87Å; F75-F77 HydrophobicContact CE1-CZ 3.87Å; F75-L95 HydrophobicContact CB-CD1 3.95Å; F75-L95 HydrophobicContact CD1-CD1 3.49Å; F75-L95 VanDerWaalsContact CD1-CD1 3.49Å; F75-L95 HydrophobicContact CE1-CD1 4.1Å; F75-L95 HydrophobicContact CG-CD1 3.73Å | ||
| 76 | N | 87.8 | Confident | 89.3 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | trans | -135.4 | 137.8 | 175.3 | -66.2 | -89.8 | 0 | 0 | 0 | 109.1 | D74 K96 | D74-N76 PolarHBondContact O-ND2 3.42Å; N76-K96 WeakPolarHBondContact OD1-CE 3.15Å; N76-K96 PolarHBondContact OD1-NZ 3.42Å | ||
| 77 | F | 85.3 | Confident | 89 | Confident | 81 Ų | 81 | 77.7 Ų | 77.7 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | trans | -91.4 | 127.5 | -179.4 | -67.1 | -98.9 | 0 | 0 | 0 | 111.4 | F75 C92 L95 | F75-F77 AromaticContact CD1-CD2 4Å; F75-F77 HydrophobicContact CD1-CD2 4Å; F75-F77 AromaticContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CE2 3.91Å; F75-F77 HydrophobicContact CD1-CG 4.42Å; F75-F77 HydrophobicContact CD1-CZ 4.25Å; F75-F77 AromaticContact CE1-CD1 3.84Å; F75-F77 HydrophobicContact CE1-CD1 3.84Å; F75-F77 AromaticContact CE1-CD2 3.89Å; F75-F77 HydrophobicContact CE1-CD2 3.89Å; F75-F77 AromaticContact CE1-CE1 3.83Å; F75-F77 HydrophobicContact CE1-CE1 3.83Å; F75-F77 AromaticContact CE1-CE2 3.9Å; F75-F77 HydrophobicContact CE1-CE2 3.9Å; F75-F77 AromaticContact CE1-CG 3.88Å; F75-F77 HydrophobicContact CE1-CG 3.88Å; F75-F77 AromaticContact CE1-CZ 3.87Å; F75-F77 HydrophobicContact CE1-CZ 3.87Å; F77-C92 HydrophobicContact CB-CB 4.37Å; F77-C92 HydrophobicContact CD2-CB 4.1Å; F77-L95 HydrophobicContact CE2-CD1 3.67Å; F77-L95 HydrophobicContact CE2-CG 3.88Å; F77-L95 HydrophobicContact CZ-CD1 3.68Å; F77-L95 HydrophobicContact CZ-CG 4.06Å | ||
| 78 | E | 83.8 | Confident | 88.8 | Confident | 197 Ų | 197 | 74.6 Ų | 74.6 | 92% | 0.921 | 40% | 0.403 | S | S | * | . | trans | -93.2 | 96.6 | 167.2 | -67.1 | -171.3 | 175.1 | 0 | 0 | 109.8 | ||||
| 79 | C | 81.3 | Confident | 88.5 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | trans | -87.2 | 145.1 | -177.7 | -61.6 | 0 | 0 | 0 | 0 | 113.1 | G81 Q84 C92 | C79-G81 PolarHBondContact O-N 3.11Å; C79-Q84 HydrophobicContact CB-CG 4.24Å; C79-C92 VanDerWaalsContact SG-SG 3.62Å | ||
| 80 | I | 78.4 | Confident | 88.3 | Confident | 144 Ų | 144 | 76 Ų | 76 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -81.1 | 110.8 | 177.7 | -54.7 | 175.2 | 0 | 0 | 0 | 110.2 | L560 | I80-L560 HydrophobicContact CG2-CD1 3.87Š|
| 81 | G | 74.7 | Confident | 88.2 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 167.3 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C79 | C79-G81 PolarHBondContact O-N 3.11Š|
| 82 | T | 78.9 | Confident | 88 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -89.2 | -19.2 | 166.7 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | K490 | T82-K490 PolarHBondContact OG1-NZ 3.21Š|
| 83 | A | 82.9 | Confident | 87.8 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -152.7 | 161.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K490 F564 | A83-K490 HydrophobicContact CB-CB 4.22Å; A83-K490 HydrophobicContact CB-CD 3.83Å; A83-K490 HydrophobicContact CB-CG 3.77Å; A83-F564 HydrophobicContact CB-CE1 4.48Å; A83-F564 HydrophobicContact CB-CE2 4.36Å; A83-F564 HydrophobicContact CB-CZ 3.79Å |
| 84 | Q | 86.1 | Confident | 88 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | trans | -110.5 | 152.9 | 172.2 | -61.8 | -170 | 27.5 | 0 | 0 | 110.2 | C79 E88 N89 C92 | C79-Q84 HydrophobicContact CB-CG 4.24Å; Q84-E88 HydrophobicContact CB-CB 4.06Å; Q84-N89 WeakPolarHBondContact CB-OD1 3.49Å; Q84-N89 PolarHBondContact OE1-OD1 3.29Å; Q84-C92 PolarHBondContact OE1-SG 3.2Å | ||
| 85 | T | 90.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | trans | -82 | 164.2 | 170.3 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | D87 E88 N89 K563 F564 I567 | T85-D87 PolarHBondContact O-N 3.45Å; T85-E88 WeakPolarHBondContact CB-OE2 3.43Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.44Å; T85-E88 PolarHBondContact N-OE2 2.66Å; T85-E88 PolarHBondContact O-N 3.48Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 VanDerWaalsContact OG1-CD 3.31Å; T85-E88 WeakPolarHBondContact OG1-CG 3.24Å; T85-E88 PolarHBondContact OG1-OE2 2.85Å; T85-N89 PolarHBondContact O-N 3.26Å; T85-N89 PolarHBondContact O-ND2 3.47Å; T85-N89 VanDerWaalsContact O-ND2 3.14Å; T85-K563 HydrophobicContact CG2-CB 4.3Å; T85-K563 HydrophobicContact CG2-CD 3.5Å; T85-K563 VanDerWaalsContact CG2-CD 3.5Å; T85-K563 HydrophobicContact CG2-CG 3.74Å; T85-F564 HydrophobicContact CG2-CD1 4.23Å; T85-F564 HydrophobicContact CG2-CE1 3.71Å; T85-F564 HydrophobicContact CG2-CZ 4.09Å; T85-I567 HydrophobicContact CG2-CD1 3.51Å | ||
| 86 | D | 90.6 | Very high | 88.3 | Confident | 75 Ų | 75 | 62.7 Ų | 62.7 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54.5 | -39.3 | 177.8 | -59.4 | -41.1 | 0 | 0 | 0 | 112.8 | N89 V90 R497 | D86-N89 PolarHBondContact O-N 3.17Å; D86-V90 WeakPolarHBondContact O-CG2 3.19Å; D86-V90 PolarHBondContact O-N 3.02Å; D86-R497 VanDerWaalsContact CG-NH2 3.34Å; D86-R497 IonicContact OD1-CZ 2.63Å; D86-R497 IonicContact OD1-NH1 2.88Å; D86-R497 IonicContact OD1-NH2 3.71Å; D86-R497 PolarHBondContact OD1-NH2 3.31Å; D86-R497 IonicContact OD2-CZ 2.64Å; D86-R497 IonicContact OD2-NH1 2.69Å; D86-R497 PolarHBondContact OD2-NH1 3.35Å; D86-R497 IonicContact OD2-NH2 2.64Å; D86-R497 PolarHBondContact OD2-NH2 2.9Å |
| 87 | D | 91.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 179.6 | -52.1 | -67.1 | 0 | 0 | 0 | 111 | T85 V90 I91 K239 K242 | T85-D87 PolarHBondContact O-N 3.45Å; D87-V90 PolarHBondContact O-N 2.83Å; D87-I91 WeakPolarHBondContact O-CD1 3.4Å; D87-I91 WeakPolarHBondContact O-CG1 3.26Å; D87-I91 PolarHBondContact O-N 3.49Å; D87-K239 HydrophobicContact CB-CB 4.17Å; D87-K239 HydrophobicContact CB-CD 4.41Å; D87-K239 HydrophobicContact CB-CG 4.13Å; D87-K239 WeakPolarHBondContact OD1-CE 3.3Å; D87-K239 WeakPolarHBondContact OD1-CG 3.43Å; D87-K242 IonicContact OD1-NZ 3.88Å; D87-K242 PolarHBondContact OD1-NZ 2.95Å; D87-K242 WeakPolarHBondContact OD2-CE 3Å; D87-K242 IonicContact OD2-NZ 2.77Å; D87-K242 PolarHBondContact OD2-NZ 3.49Å |
| 88 | E | 91.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 63 Ų | 63 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 174.8 | -71.3 | 168.1 | 132.2 | 0 | 0 | 111.7 | Q84 T85 V90 I91 C92 T243 K563 | Q84-E88 HydrophobicContact CB-CB 4.06Å; T85-E88 WeakPolarHBondContact CB-OE2 3.43Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.44Å; T85-E88 PolarHBondContact N-OE2 2.66Å; T85-E88 PolarHBondContact O-N 3.48Å; T85-E88 VanDerWaalsContact O-N 3.1Å; T85-E88 VanDerWaalsContact OG1-CD 3.31Å; T85-E88 WeakPolarHBondContact OG1-CG 3.24Å; T85-E88 PolarHBondContact OG1-OE2 2.85Å; E88-V90 PolarHBondContact O-N 2.88Å; E88-I91 PolarHBondContact O-N 3.44Å; E88-C92 WeakPolarHBondContact O-CB 3.44Å; E88-C92 PolarHBondContact O-N 2.81Å; E88-C92 PolarHBondContact O-SG 3.39Å; E88-T243 HydrophobicContact CG-CG2 3.97Å; E88-K563 VanDerWaalsContact CD-NZ 3.34Å; E88-K563 IonicContact OE1-NZ 2.68Å; E88-K563 PolarHBondContact OE1-NZ 3.15Å; E88-K563 WeakPolarHBondContact OE2-CD 3.31Å; E88-K563 IonicContact OE2-NZ 2.74Å; E88-K563 PolarHBondContact OE2-NZ 3.02Å |
| 89 | N | 91.8 | Very high | 89.8 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.8 | -71.2 | -45.8 | 0 | 0 | 0 | 111.6 | Q84 T85 D86 I91 C92 E93 | Q84-N89 WeakPolarHBondContact CB-OD1 3.49Å; Q84-N89 PolarHBondContact OE1-OD1 3.29Å; T85-N89 PolarHBondContact O-N 3.26Å; T85-N89 PolarHBondContact O-ND2 3.47Å; T85-N89 VanDerWaalsContact O-ND2 3.14Å; D86-N89 PolarHBondContact O-N 3.17Å; N89-I91 VanDerWaalsContact C-N 3.34Å; N89-I91 PolarHBondContact O-N 2.95Å; N89-C92 PolarHBondContact O-N 3.08Å; N89-E93 PolarHBondContact O-N 2.94Å |
| 90 | V | 93.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -35 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 112.2 | D86 D87 E88 S94 L236 K239 | D86-V90 WeakPolarHBondContact O-CG2 3.19Å; D86-V90 PolarHBondContact O-N 3.02Å; D87-V90 PolarHBondContact O-N 2.83Å; E88-V90 PolarHBondContact O-N 2.88Å; V90-S94 PolarHBondContact O-N 3.42Å; V90-L236 HydrophobicContact CG1-CD1 4.31Å; V90-K239 HydrophobicContact CB-CD 4.23Å; V90-K239 HydrophobicContact CG1-CD 3.88Å |
| 91 | I | 94.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 48 Ų | 48 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 171.9 | -69.2 | 162.2 | 0 | 0 | 0 | 110.3 | D87 E88 N89 E93 S94 L236 K239 V240 T243 | D87-I91 WeakPolarHBondContact O-CD1 3.4Å; D87-I91 WeakPolarHBondContact O-CG1 3.26Å; D87-I91 PolarHBondContact O-N 3.49Å; E88-I91 PolarHBondContact O-N 3.44Å; N89-I91 VanDerWaalsContact C-N 3.34Å; N89-I91 PolarHBondContact O-N 2.95Å; I91-E93 PolarHBondContact O-N 2.57Å; I91-S94 VanDerWaalsContact O-CB 3.27Å; I91-S94 WeakPolarHBondContact O-CB 3.25Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 3.25Å; I91-L236 HydrophobicContact CG1-CD1 3.94Å; I91-K239 HydrophobicContact CD1-CB 4.39Å; I91-K239 HydrophobicContact CG1-CB 4.46Å; I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; I91-T243 HydrophobicContact CD1-CG2 4.27Å; I91-T243 VanDerWaalsContact CD1-OG1 3.26Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.28Å |
| 92 | C | 92.2 | Very high | 92.3 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 178.6 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | F77 C79 Q84 E88 N89 S94 | F77-C92 HydrophobicContact CB-CB 4.37Å; F77-C92 HydrophobicContact CD2-CB 4.1Å; C79-C92 VanDerWaalsContact SG-SG 3.62Å; Q84-C92 PolarHBondContact OE1-SG 3.2Å; E88-C92 WeakPolarHBondContact O-CB 3.44Å; E88-C92 PolarHBondContact O-N 2.81Å; E88-C92 PolarHBondContact O-SG 3.39Å; N89-C92 PolarHBondContact O-N 3.08Å; C92-S94 VanDerWaalsContact C-N 3.29Å |
| 93 | E | 92.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 42.5 Ų | 42.5 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74 | -14.7 | 171.4 | -76 | -124.6 | 130.7 | 0 | 0 | 113.8 | N89 I91 L95 K96 R97 | N89-E93 PolarHBondContact O-N 2.94Å; I91-E93 PolarHBondContact O-N 2.57Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.76Å; E93-K96 WeakPolarHBondContact O-CB 3.13Å; E93-K96 PolarHBondContact O-N 2.89Å; E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 IonicContact OE2-CZ 2.66Å; E93-R97 IonicContact OE2-NE 3.22Å; E93-R97 IonicContact OE2-NH2 3.45Å; E93-R97 PolarHBondContact OE2-NH2 3.1Å |
| 94 | S | 96 | Very high | 93.7 | Very high | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | -164.9 | 67.4 | 0 | 0 | 0 | 0 | 114.4 | V90 I91 C92 K96 R97 F98 Y232 | V90-S94 PolarHBondContact O-N 3.42Å; I91-S94 VanDerWaalsContact O-CB 3.27Å; I91-S94 WeakPolarHBondContact O-CB 3.25Å; I91-S94 PolarHBondContact O-N 2.97Å; I91-S94 PolarHBondContact O-OG 3.25Å; C92-S94 VanDerWaalsContact C-N 3.29Å; S94-K96 VanDerWaalsContact C-N 3.32Å; S94-K96 PolarHBondContact O-N 3.08Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 2.99Å; S94-R97 VanDerWaalsContact O-N 3.15Å; S94-F98 WeakPolarHBondContact O-CD1 3.3Å; S94-F98 VanDerWaalsContact O-CG 3.27Å; S94-F98 WeakPolarHBondContact O-CG 3.36Å; S94-F98 PolarHBondContact O-N 3.3Å; S94-Y232 WeakPolarHBondContact CA-OH 3.36Å; S94-Y232 WeakPolarHBondContact CB-OH 3.49Å |
| 95 | L | 95.7 | Very high | 94.2 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 176.9 | -54.8 | -175 | 0 | 0 | 0 | 111.7 | L72 F75 F77 E93 R97 F98 G99 | L72-L95 HydrophobicContact CB-CB 4.36Å; L72-L95 WeakPolarHBondContact CB-O 3.48Å; L72-L95 HydrophobicContact CD2-CB 4.22Å; L72-L95 HydrophobicContact CD2-CD2 4.1Å; L72-L95 CarbonylContact O-C 3.53Å; L72-L95 VanDerWaalsContact O-C 3.25Å; L72-L95 WeakPolarHBondContact O-CB 3.38Å; F75-L95 HydrophobicContact CB-CD1 3.95Å; F75-L95 HydrophobicContact CD1-CD1 3.49Å; F75-L95 VanDerWaalsContact CD1-CD1 3.49Å; F75-L95 HydrophobicContact CE1-CD1 4.1Å; F75-L95 HydrophobicContact CG-CD1 3.73Å; F77-L95 HydrophobicContact CE2-CD1 3.67Å; F77-L95 HydrophobicContact CE2-CG 3.88Å; F77-L95 HydrophobicContact CZ-CD1 3.68Å; F77-L95 HydrophobicContact CZ-CG 4.06Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 2.76Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.94Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 3.9Å; L95-F98 PolarHBondContact O-N 3.28Å; L95-G99 PolarHBondContact O-N 2.87Å |
| 96 | K | 95.2 | Very high | 94.5 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.1 | -36.7 | 174.1 | -55.1 | -177.6 | 177.3 | 169 | 0 | 111.3 | L72 N73 N76 E93 S94 G99 A100 | L72-K96 PolarHBondContact O-N 3.48Å; N73-K96 WeakPolarHBondContact O-CE 3.41Å; N76-K96 WeakPolarHBondContact OD1-CE 3.15Å; N76-K96 PolarHBondContact OD1-NZ 3.42Å; E93-K96 WeakPolarHBondContact O-CB 3.13Å; E93-K96 PolarHBondContact O-N 2.89Å; S94-K96 VanDerWaalsContact C-N 3.32Å; S94-K96 PolarHBondContact O-N 3.08Å; K96-G99 PolarHBondContact O-N 3.24Å; K96-A100 PolarHBondContact O-N 3.5Å |
| 97 | R | 94.5 | Very high | 94.6 | Very high | 131 Ų | 131 | 43.4 Ų | 43.4 | 49% | 0.494 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 171.6 | -57.1 | -63.6 | 172.8 | 159.2 | -3.7 | 111.5 | E93 S94 L95 G99 A100 I101 Y232 | E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 IonicContact OE2-CZ 2.66Å; E93-R97 IonicContact OE2-NE 3.22Å; E93-R97 IonicContact OE2-NH2 3.45Å; E93-R97 PolarHBondContact OE2-NH2 3.1Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 2.99Å; S94-R97 VanDerWaalsContact O-N 3.15Å; L95-R97 VanDerWaalsContact C-N 3.3Å; L95-R97 PolarHBondContact O-N 2.94Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 2.64Å; R97-A100 PolarHBondContact O-N 2.75Å; R97-I101 VanDerWaalsContact O-CG1 3.25Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 3.09Å; R97-Y232 HydrophobicContact CB-CE1 3.77Å; R97-Y232 HydrophobicContact CG-CE1 4.27Å; R97-Y232 HydrophobicContact CG-CE2 4.44Å; R97-Y232 WeakPolarHBondContact CG-OH 3.42Å |
| 98 | F | 96.6 | Very high | 94.7 | Very high | 59 Ų | 59 | 45 Ų | 45 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.2 | -58.7 | -19.6 | 0 | 0 | 0 | 112.1 | L72 S94 L95 I101 I102 Y232 L233 L236 | L72-F98 HydrophobicContact CD1-CB 4.25Å; S94-F98 WeakPolarHBondContact O-CD1 3.3Å; S94-F98 VanDerWaalsContact O-CG 3.27Å; S94-F98 WeakPolarHBondContact O-CG 3.36Å; S94-F98 PolarHBondContact O-N 3.3Å; L95-F98 HydrophobicContact CD2-CD2 3.72Å; L95-F98 HydrophobicContact CD2-CE2 3.9Å; L95-F98 PolarHBondContact O-N 3.28Å; F98-I101 PolarHBondContact O-N 3.28Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 2.8Å; F98-Y232 HydrophobicContact CE1-CE1 4.33Å; F98-L233 HydrophobicContact CD1-CD2 4.32Å; F98-L233 HydrophobicContact CE1-CD2 3.73Å; F98-L236 HydrophobicContact CE1-CD2 3.66Å; F98-L236 HydrophobicContact CZ-CD2 3.46Å; F98-L236 VanDerWaalsContact CZ-CD2 3.46Å |
| 99 | G | 96.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A69 L95 K96 R97 I102 G103 | A69-G99 WeakPolarHBondContact CB-O 3.41Å; L95-G99 PolarHBondContact O-N 2.87Å; K96-G99 PolarHBondContact O-N 3.24Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 2.64Å; G99-I102 PolarHBondContact O-N 2.73Å; G99-G103 PolarHBondContact O-N 2.84Å |
| 100 | A | 95.5 | Very high | 94.9 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 44% | 0.438 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | K96 R97 G103 N104 | K96-A100 PolarHBondContact O-N 3.5Å; R97-A100 PolarHBondContact O-N 2.75Å; A100-G103 PolarHBondContact O-N 3.37Å; A100-N104 VanDerWaalsContact O-CG 3.3Å; A100-N104 PolarHBondContact O-N 3.25Å; A100-N104 PolarHBondContact O-OD1 2.76Å |
| 101 | I | 95.7 | Very high | 94.8 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -47.2 | 177.9 | -64.6 | 168 | 0 | 0 | 0 | 110.8 | R97 F98 N104 I105 H229 | R97-I101 VanDerWaalsContact O-CG1 3.25Å; R97-I101 WeakPolarHBondContact O-CG1 3.26Å; R97-I101 PolarHBondContact O-N 3.09Å; F98-I101 PolarHBondContact O-N 3.28Å; I101-N104 PolarHBondContact O-N 3.42Å; I101-I105 HydrophobicContact CG2-CD1 4.06Å; I101-I105 WeakPolarHBondContact O-CG1 3.28Å; I101-I105 PolarHBondContact O-N 2.99Å; I101-H229 HydrophobicContact CD1-CB 3.96Å |
| 102 | I | 96.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 177.7 | -66.8 | 165.1 | 0 | 0 | 0 | 110.5 | M65 L68 A69 L72 F98 G99 I105 E106 | M65-I102 HydrophobicContact CB-CG2 4.12Å; M65-I102 HydrophobicContact CE-CG2 4.06Å; M65-I102 WeakPolarHBondContact O-CG2 3.3Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å; A69-I102 HydrophobicContact CB-CB 4.11Å; A69-I102 HydrophobicContact CB-CG2 3.96Å; L72-I102 HydrophobicContact CD1-CD1 3.72Å; F98-I102 WeakPolarHBondContact O-CG1 3.45Å; F98-I102 PolarHBondContact O-N 2.8Å; G99-I102 PolarHBondContact O-N 2.73Å; I102-I105 PolarHBondContact O-N 3.48Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CB 3.2Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.9Å |
| 103 | G | 95.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 48 Ų | 48 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.5 | -52.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G99 A100 I105 E106 D107 | G99-G103 PolarHBondContact O-N 2.84Å; A100-G103 PolarHBondContact O-N 3.37Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 2.71Å; G103-E106 PolarHBondContact O-N 3.49Å; G103-D107 PolarHBondContact O-N 2.6Å |
| 104 | N | 94.6 | Very high | 94.6 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 179.1 | -71 | 1.4 | 0 | 0 | 0 | 112.7 | A100 I101 E108 Q225 | A100-N104 VanDerWaalsContact O-CG 3.3Å; A100-N104 PolarHBondContact O-N 3.25Å; A100-N104 PolarHBondContact O-OD1 2.76Å; I101-N104 PolarHBondContact O-N 3.42Å; N104-E108 PolarHBondContact O-N 3.2Å; N104-Q225 PolarHBondContact ND2-OE1 2.79Å |
| 105 | I | 96.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -40.2 | -179.2 | -67.9 | 169.3 | 0 | 0 | 0 | 110.7 | I101 I102 G103 E108 R109 F218 A222 Q225 | I101-I105 HydrophobicContact CG2-CD1 4.06Å; I101-I105 WeakPolarHBondContact O-CG1 3.28Å; I101-I105 PolarHBondContact O-N 2.99Å; I102-I105 PolarHBondContact O-N 3.48Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 2.71Å; I105-E108 PolarHBondContact O-N 3.39Å; I105-R109 PolarHBondContact O-N 3.39Å; I105-R109 VanDerWaalsContact O-N 3.07Å; I105-F218 HydrophobicContact CG2-CE2 4.34Å; I105-F218 HydrophobicContact CG2-CZ 4.46Å; I105-A222 HydrophobicContact CG2-CB 4.13Å; I105-Q225 HydrophobicContact CD1-CB 4.35Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.26Å |
| 106 | E | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.2 | -25.1 | -179.2 | -67.6 | -60.6 | 157.3 | 0 | 0 | 114.2 | S62 M65 K66 I102 G103 E108 R109 E110 | S62-E106 WeakPolarHBondContact CA-OE2 3.47Å; S62-E106 WeakPolarHBondContact CB-OE2 3.47Å; S62-E106 PolarHBondContact OG-O 3.1Å; S62-E106 PolarHBondContact OG-OE2 3.37Å; M65-E106 HydrophobicContact CB-CG 3.5Å; M65-E106 HydrophobicContact CG-CG 4.41Å; K66-E106 HydrophobicContact CD-CB 4.31Å; K66-E106 VanDerWaalsContact CE-C 3.41Å; K66-E106 WeakPolarHBondContact CE-O 3.42Å; K66-E106 HydrophobicContact CG-CB 3.74Å; K66-E106 HydrophobicContact CG-CG 4.46Å; K66-E106 PolarHBondContact NZ-O 2.79Å; I102-E106 HydrophobicContact CG2-CG 4.34Å; I102-E106 WeakPolarHBondContact O-CB 3.2Å; I102-E106 WeakPolarHBondContact O-CG 3.41Å; I102-E106 PolarHBondContact O-N 2.9Å; G103-E106 PolarHBondContact O-N 3.49Å; E106-E108 VanDerWaalsContact C-N 3.28Å; E106-R109 VanDerWaalsContact CD-NE 3.34Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-CZ 3.23Å; E106-R109 IonicContact OE1-NE 2.71Å; E106-R109 PolarHBondContact OE1-NE 3.37Å; E106-R109 VanDerWaalsContact OE1-NE 3.15Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 WeakPolarHBondContact OE2-CD 3.39Å; E106-R109 IonicContact OE2-CZ 2.6Å; E106-R109 IonicContact OE2-NE 2.8Å; E106-R109 PolarHBondContact OE2-NE 3.24Å; E106-R109 IonicContact OE2-NH2 3.65Å; E106-E110 WeakPolarHBondContact O-CB 3.45Å; E106-E110 PolarHBondContact O-N 3.06Å |
| 107 | D | 94.1 | Very high | 93.3 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 165.8 | -78.9 | -3.9 | 0 | 0 | 0 | 111.1 | K66 G103 K111 | K66-D107 IonicContact NZ-OD1 3.59Å; K66-D107 PolarHBondContact NZ-OD1 3.05Å; G103-D107 PolarHBondContact O-N 2.6Å; D107-K111 WeakPolarHBondContact O-CE 3.27Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.45Å; D107-K111 PolarHBondContact O-N 3.02Å; D107-K111 VanDerWaalsContact O-N 3.13Å |
| 108 | E | 93.5 | Very high | 92.7 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.3 | -35.5 | 174.8 | -150.5 | 60.7 | -140 | 0 | 0 | 112.5 | N104 I105 E106 E110 K111 M112 F218 T221 | N104-E108 PolarHBondContact O-N 3.2Å; I105-E108 PolarHBondContact O-N 3.39Å; E106-E108 VanDerWaalsContact C-N 3.28Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.12Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 IonicContact OE2-NZ 3.68Å; E108-K111 PolarHBondContact OE2-NZ 3.04Å; E108-M112 WeakPolarHBondContact O-CB 3.45Å; E108-M112 PolarHBondContact O-N 3.25Å; E108-F218 HydrophobicContact CB-CD2 4.43Å; E108-T221 HydrophobicContact CG-CG2 3.97Å |
| 109 | R | 95 | Very high | 92.2 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 171.6 | -156.5 | -161.5 | -60.2 | -92.1 | 2.7 | 111.3 | I105 E106 M112 L113 F218 | I105-R109 PolarHBondContact O-N 3.39Å; I105-R109 VanDerWaalsContact O-N 3.07Å; E106-R109 VanDerWaalsContact CD-NE 3.34Å; E106-R109 PolarHBondContact O-N 3.21Å; E106-R109 IonicContact OE1-CZ 3.23Å; E106-R109 IonicContact OE1-NE 2.71Å; E106-R109 PolarHBondContact OE1-NE 3.37Å; E106-R109 VanDerWaalsContact OE1-NE 3.15Å; E106-R109 IonicContact OE1-NH2 2.68Å; E106-R109 PolarHBondContact OE1-NH2 3.33Å; E106-R109 WeakPolarHBondContact OE2-CD 3.39Å; E106-R109 IonicContact OE2-CZ 2.6Å; E106-R109 IonicContact OE2-NE 2.8Å; E106-R109 PolarHBondContact OE2-NE 3.24Å; E106-R109 IonicContact OE2-NH2 3.65Å; R109-M112 HydrophobicContact CG-CE 4.1Å; R109-M112 PolarHBondContact O-N 3.27Å; R109-L113 HydrophobicContact CG-CD1 3.97Å; R109-L113 HydrophobicContact CG-CG 4.42Å; R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.23Å; R109-F218 HydrophobicContact CB-CD2 4.11Å; R109-F218 HydrophobicContact CB-CE2 3.53Å; R109-F218 HydrophobicContact CB-CZ 3.98Å; R109-F218 HydrophobicContact CG-CD2 4.38Å; R109-F218 HydrophobicContact CG-CE1 4.4Å; R109-F218 HydrophobicContact CG-CE2 3.88Å; R109-F218 HydrophobicContact CG-CZ 3.89Å |
| 110 | E | 93.5 | Very high | 91.9 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 179.1 | -176.6 | 167 | -149.5 | 0 | 0 | 112.4 | K66 E106 E108 L113 T114 | K66-E110 IonicContact NZ-OE2 2.75Å; K66-E110 PolarHBondContact NZ-OE2 3.49Å; E106-E110 WeakPolarHBondContact O-CB 3.45Å; E106-E110 PolarHBondContact O-N 3.06Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 3.12Å; E110-L113 PolarHBondContact O-N 3.43Å; E110-T114 WeakPolarHBondContact O-CB 3.21Å; E110-T114 PolarHBondContact O-N 3.24Å; E110-T114 PolarHBondContact O-OG1 3.3Å |
| 111 | K | 90.9 | Very high | 91.7 | Very high | 106 Ų | 106 | 51.5 Ų | 51.5 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 172.5 | -68.4 | 165.6 | -148 | 164 | 0 | 111.3 | D107 E108 L113 T114 L115 | D107-K111 WeakPolarHBondContact O-CE 3.27Å; D107-K111 VanDerWaalsContact O-CG 3.3Å; D107-K111 WeakPolarHBondContact O-CG 3.45Å; D107-K111 PolarHBondContact O-N 3.02Å; D107-K111 VanDerWaalsContact O-N 3.13Å; E108-K111 PolarHBondContact O-N 3.45Å; E108-K111 IonicContact OE2-NZ 3.68Å; E108-K111 PolarHBondContact OE2-NZ 3.04Å; K111-L113 PolarHBondContact O-N 3.36Å; K111-T114 PolarHBondContact O-N 3.41Å; K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.37Å |
| 112 | M | 93 | Very high | 91.5 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 178.4 | 178.3 | -79.6 | -67.2 | 0 | 0 | 111.7 | E108 R109 T114 L115 A116 G214 W215 F218 | E108-M112 WeakPolarHBondContact O-CB 3.45Å; E108-M112 PolarHBondContact O-N 3.25Å; R109-M112 HydrophobicContact CG-CE 4.1Å; R109-M112 PolarHBondContact O-N 3.27Å; M112-T114 PolarHBondContact O-N 2.95Å; M112-L115 PolarHBondContact O-N 3.26Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å; M112-G214 WeakPolarHBondContact CG-O 3.35Å; M112-W215 HydrophobicContact CE-CD2 3.85Å; M112-W215 HydrophobicContact CE-CE3 3.6Å; M112-W215 HydrophobicContact CE-CH2 3.72Å; M112-W215 HydrophobicContact CE-CZ2 3.94Å; M112-W215 HydrophobicContact CE-CZ3 3.54Å; M112-W215 HydrophobicContact SD-CD2 4.1Å; M112-W215 HydrophobicContact SD-CE3 4.45Å; M112-W215 HydrophobicContact SD-CZ2 4.31Å; M112-F218 HydrophobicContact CB-CB 4.32Å; M112-F218 HydrophobicContact CE-CB 4.43Å; M112-F218 HydrophobicContact CE-CD1 4.4Å; M112-F218 HydrophobicContact CE-CG 4.3Å; M112-F218 HydrophobicContact CG-CB 4.11Å |
| 113 | L | 92.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 178.1 | -70.5 | 168.2 | 0 | 0 | 0 | 112.8 | M55 A58 K59 R109 E110 K111 A116 D117 W215 | M55-L113 HydrophobicContact CE-CD2 4.48Å; M55-L113 WeakPolarHBondContact CE-O 3.42Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; A58-L113 HydrophobicContact CB-CD1 3.89Å; A58-L113 HydrophobicContact CB-CD2 3.6Å; A58-L113 HydrophobicContact CB-CG 4.37Å; K59-L113 HydrophobicContact CG-CD1 4.08Å; R109-L113 HydrophobicContact CG-CD1 3.97Å; R109-L113 HydrophobicContact CG-CG 4.42Å; R109-L113 WeakPolarHBondContact O-CB 3.1Å; R109-L113 VanDerWaalsContact O-CG 3.24Å; R109-L113 WeakPolarHBondContact O-CG 3.35Å; R109-L113 PolarHBondContact O-N 3.23Å; E110-L113 PolarHBondContact O-N 3.43Å; K111-L113 PolarHBondContact O-N 3.36Å; L113-A116 PolarHBondContact O-N 2.9Å; L113-D117 PolarHBondContact O-N 3.37Å; L113-D117 VanDerWaalsContact O-N 3.09Å; L113-W215 HydrophobicContact CD2-CH2 4.49Å; L113-W215 HydrophobicContact CD2-CZ2 4.42Å |
| 114 | T | 89.1 | Confident | 91.2 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 53% | 0.528 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | E110 K111 M112 K118 | E110-T114 WeakPolarHBondContact O-CB 3.21Å; E110-T114 PolarHBondContact O-N 3.24Å; E110-T114 PolarHBondContact O-OG1 3.3Å; K111-T114 PolarHBondContact O-N 3.41Å; M112-T114 PolarHBondContact O-N 2.95Å; T114-K118 PolarHBondContact O-N 3.38Å |
| 115 | L | 87.1 | Confident | 91.2 | Very high | 107 Ų | 107 | 54.3 Ų | 54.3 | 56% | 0.56 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | 173.7 | -69.9 | 171.1 | 0 | 0 | 0 | 111.6 | K111 M112 D117 H119 | K111-L115 WeakPolarHBondContact O-CG 3.46Å; K111-L115 PolarHBondContact O-N 3.37Å; M112-L115 PolarHBondContact O-N 3.26Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 2.9Å; L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.24Å; L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.01Å |
| 116 | A | 87.7 | Confident | 91.1 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M55 M112 L113 I120 I121 | M55-A116 HydrophobicContact CE-CB 3.87Å; M55-A116 HydrophobicContact SD-CB 3.62Å; M112-A116 WeakPolarHBondContact O-CB 3.4Å; M112-A116 PolarHBondContact O-N 3.25Å; L113-A116 PolarHBondContact O-N 2.9Å; A116-I120 HydrophobicContact CB-CG1 4.44Å; A116-I120 WeakPolarHBondContact O-CA 3.36Å; A116-I120 VanDerWaalsContact O-CB 3.25Å; A116-I120 WeakPolarHBondContact O-CB 3.48Å; A116-I120 PolarHBondContact O-N 3.43Å; A116-I121 PolarHBondContact O-N 3.49Å |
| 117 | D | 84.8 | Confident | 91.1 | Very high | 64 Ų | 64 | 55.6 Ų | 55.6 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -62.2 | -51.7 | -178.7 | -131.4 | 12.7 | 0 | 0 | 0 | 109.8 | M55 K59 L113 L115 I121 | M55-D117 HydrophobicContact CE-CB 3.77Å; M55-D117 WeakPolarHBondContact CE-OD1 3.48Å; K59-D117 VanDerWaalsContact NZ-CG 3.3Å; K59-D117 IonicContact NZ-OD1 2.68Å; K59-D117 IonicContact NZ-OD2 2.73Å; K59-D117 PolarHBondContact NZ-OD2 3.2Å; L113-D117 PolarHBondContact O-N 3.37Å; L113-D117 VanDerWaalsContact O-N 3.09Å; L115-D117 VanDerWaalsContact C-N 3.35Å; L115-D117 PolarHBondContact O-N 2.9Å; D117-I121 WeakPolarHBondContact O-CB 3.4Å |
| 118 | K | 81 | Confident | 91.1 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 54% | 0.539 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -74 | -39.1 | -176.1 | -176 | -177.3 | 173.2 | -162.2 | 0 | 113.4 | T114 E122 | T114-K118 PolarHBondContact O-N 3.38Å; K118-E122 WeakPolarHBondContact O-CB 3.29Å |
| 119 | H | 85.7 | Confident | 91.1 | Very high | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.435 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -104 | -17.9 | -169.5 | -67.2 | -72.1 | 0 | 0 | 0 | 114.8 | L115 S123 | L115-H119 VanDerWaalsContact O-CB 3.31Å; L115-H119 WeakPolarHBondContact O-CB 3.24Å; L115-H119 PolarHBondContact O-CD2 2.85Å; L115-H119 PolarHBondContact O-N 3.01Å; H119-S123 VanDerWaalsContact O-CB 3.3Å; H119-S123 WeakPolarHBondContact O-CB 3.38Å; H119-S123 PolarHBondContact O-OG 3.28Å |
| 120 | I | 90.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -108.8 | -53.2 | -179 | -49.7 | -58.7 | 0 | 0 | 0 | 110.9 | A116 S123 L124 I207 A210 F211 | A116-I120 HydrophobicContact CB-CG1 4.44Å; A116-I120 WeakPolarHBondContact O-CA 3.36Å; A116-I120 VanDerWaalsContact O-CB 3.25Å; A116-I120 WeakPolarHBondContact O-CB 3.48Å; A116-I120 PolarHBondContact O-N 3.43Å; I120-S123 PolarHBondContact O-N 3.33Å; I120-L124 HydrophobicContact CG2-CD1 4.05Å; I120-L124 HydrophobicContact CG2-CG 4.37Å; I120-L124 WeakPolarHBondContact O-CB 3.49Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.47Å; I120-I207 HydrophobicContact CD1-CG2 4.4Å; I120-I207 WeakPolarHBondContact CD1-O 3.25Å; I120-I207 HydrophobicContact CG2-CG2 4.02Å; I120-A210 HydrophobicContact CD1-CB 3.84Å; I120-F211 HydrophobicContact CB-CD2 4.29Å; I120-F211 HydrophobicContact CD1-CB 4.03Å; I120-F211 HydrophobicContact CG1-CB 4.01Å; I120-F211 HydrophobicContact CG1-CD2 4.09Å; I120-F211 HydrophobicContact CG2-CB 3.82Å; I120-F211 HydrophobicContact CG2-CD2 3.88Å; I120-F211 HydrophobicContact CG2-CG 4.09Å |
| 121 | I | 91.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -64.3 | -47.1 | -178.3 | -76.2 | 166.8 | 0 | 0 | 0 | 111.3 | V51 K52 M55 A116 D117 S123 E125 | V51-I121 HydrophobicContact CG1-CD1 4.42Å; V51-I121 HydrophobicContact CG1-CG1 3.99Å; K52-I121 HydrophobicContact CG-CD1 3.68Å; K52-I121 HydrophobicContact CG-CG1 4.16Å; K52-I121 HydrophobicContact CG-CG2 4.48Å; M55-I121 HydrophobicContact CE-CD1 4.16Å; M55-I121 HydrophobicContact SD-CD1 3.49Å; M55-I121 WeakPolarHBondContact SD-CD1 3.48Å; M55-I121 HydrophobicContact SD-CG1 4.25Å; A116-I121 PolarHBondContact O-N 3.49Å; D117-I121 WeakPolarHBondContact O-CB 3.4Å; I121-S123 PolarHBondContact O-N 3.44Å; I121-E125 WeakPolarHBondContact O-CB 3.41Å; I121-E125 PolarHBondContact O-N 2.9Å |
| 122 | E | 91.4 | Very high | 91.2 | Very high | 117 Ų | 117 | 54 Ų | 54 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 176.4 | -63 | -174.8 | -166.1 | 0 | 0 | 111 | K118 E125 D126 | K118-E122 WeakPolarHBondContact O-CB 3.29Å; E122-E125 PolarHBondContact O-N 2.79Å; E122-D126 WeakPolarHBondContact O-CB 3.37Å; E122-D126 PolarHBondContact O-N 3.35Å |
| 123 | S | 94 | Very high | 91.2 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | -179.3 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | H119 I120 I121 D126 F127 | H119-S123 VanDerWaalsContact O-CB 3.3Å; H119-S123 WeakPolarHBondContact O-CB 3.38Å; H119-S123 PolarHBondContact O-OG 3.28Å; I120-S123 PolarHBondContact O-N 3.33Å; I121-S123 PolarHBondContact O-N 3.44Å; S123-D126 PolarHBondContact O-N 3.03Å; S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.39Å; S123-F127 PolarHBondContact O-N 2.99Å |
| 124 | L | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 175.2 | -71.1 | 176.6 | 0 | 0 | 0 | 111.5 | I48 I120 R128 F204 I207 L208 | I48-L124 HydrophobicContact CD1-CB 4.03Å; I48-L124 HydrophobicContact CG1-CB 3.66Å; I48-L124 HydrophobicContact CG1-CD1 4.19Å; I120-L124 HydrophobicContact CG2-CD1 4.05Å; I120-L124 HydrophobicContact CG2-CG 4.37Å; I120-L124 WeakPolarHBondContact O-CB 3.49Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.47Å; L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 PolarHBondContact O-N 3.03Å; L124-R128 VanDerWaalsContact O-N 3.12Å; L124-F204 HydrophobicContact CD2-CD2 3.96Å; L124-F204 HydrophobicContact CD2-CE2 3.72Å; L124-I207 HydrophobicContact CD2-CB 4.21Å; L124-I207 HydrophobicContact CD2-CG2 3.63Å; L124-I207 HydrophobicContact CG-CG2 3.68Å; L124-L208 HydrophobicContact CD1-CD2 4.44Å; L124-L208 HydrophobicContact CD2-CD2 4.15Å |
| 125 | E | 94.5 | Very high | 91.5 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.2 | -81.6 | -161.1 | -164.1 | 0 | 0 | 112.3 | I48 K52 I121 E122 R128 K129 | I48-E125 HydrophobicContact CD1-CG 4.12Å; I48-E125 HydrophobicContact CG2-CG 4.06Å; K52-E125 IonicContact NZ-OE1 2.79Å; K52-E125 PolarHBondContact NZ-OE1 2.8Å; I121-E125 WeakPolarHBondContact O-CB 3.41Å; I121-E125 PolarHBondContact O-N 2.9Å; E122-E125 PolarHBondContact O-N 2.79Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-K129 VanDerWaalsContact O-CB 3.31Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CD 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.48Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE2-CE 3.3Å; E125-K129 WeakPolarHBondContact OE2-CE 3.34Å; E125-K129 IonicContact OE2-NZ 2.74Å; E125-K129 PolarHBondContact OE2-NZ 2.8Å |
| 126 | D | 94 | Very high | 91.7 | Very high | 60 Ų | 60 | 50.8 Ų | 50.8 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 177.4 | -99.6 | -6.5 | 0 | 0 | 0 | 112.1 | E122 S123 R128 K129 K130 | E122-D126 WeakPolarHBondContact O-CB 3.37Å; E122-D126 PolarHBondContact O-N 3.35Å; S123-D126 PolarHBondContact O-N 3.03Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.06Å; D126-K129 PolarHBondContact O-N 3.06Å; D126-K130 HydrophobicContact CB-CD 4.09Å; D126-K130 VanDerWaalsContact CG-CE 3.4Å; D126-K130 WeakPolarHBondContact O-CA 3.3Å; D126-K130 WeakPolarHBondContact O-CB 3.41Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.07Å; D126-K130 PolarHBondContact OD1-NZ 3.29Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.53Å; D126-K130 PolarHBondContact OD2-NZ 2.71Å |
| 127 | F | 95 | Very high | 91.8 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -54.5 | -48.9 | 172.9 | -175.8 | -92.1 | 0 | 0 | 0 | 110.5 | I44 S123 Q131 I132 R199 I200 E203 F204 I207 | I44-F127 HydrophobicContact CD1-CD1 4.13Å; I44-F127 HydrophobicContact CD1-CE1 4Å; S123-F127 VanDerWaalsContact O-CB 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.39Å; S123-F127 PolarHBondContact O-N 2.99Å; F127-Q131 HydrophobicContact CD2-CB 4.34Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.21Å; F127-Q131 HydrophobicContact CE2-CG 3.82Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.41Å; F127-Q131 HydrophobicContact CZ-CG 4.5Å; F127-Q131 WeakPolarHBondContact O-CA 3.37Å; F127-Q131 VanDerWaalsContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.34Å; F127-Q131 PolarHBondContact O-N 3.46Å; F127-I132 HydrophobicContact CE1-CD1 4.14Å; F127-I132 HydrophobicContact CE1-CG1 4.33Å; F127-I132 PolarHBondContact O-N 3.38Å; F127-R199 HydrophobicContact CE2-CB 4.12Å; F127-R199 HydrophobicContact CZ-CB 4.43Å; F127-I200 HydrophobicContact CE1-CG1 3.97Å; F127-I200 HydrophobicContact CZ-CB 4.46Å; F127-I200 HydrophobicContact CZ-CG1 3.73Å; F127-E203 HydrophobicContact CD2-CB 4.29Å; F127-E203 HydrophobicContact CD2-CG 3.87Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.36Å; F127-E203 HydrophobicContact CE2-CB 3.95Å; F127-E203 HydrophobicContact CE2-CG 4Å; F127-F204 HydrophobicContact CD1-CB 4.16Å; F127-F204 HydrophobicContact CD1-CD2 4.1Å; F127-F204 HydrophobicContact CD2-CB 4.38Å; F127-F204 HydrophobicContact CE1-CB 3.82Å; F127-F204 HydrophobicContact CE1-CD2 4.31Å; F127-F204 HydrophobicContact CE1-CG 4.31Å; F127-F204 HydrophobicContact CE2-CB 4.06Å; F127-F204 HydrophobicContact CG-CB 4.45Å; F127-F204 HydrophobicContact CZ-CB 3.77Å; F127-I207 HydrophobicContact CB-CD1 4.29Å |
| 128 | R | 94.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -65.8 | -40.1 | 179.1 | -169.5 | -178.4 | 173.5 | -76.6 | -16.6 | 113.1 | S41 I44 I48 L124 E125 D126 G133 | S41-R128 PolarHBondContact O-NE 3.26Å; S41-R128 PolarHBondContact OG-NH2 3.21Å; I44-R128 HydrophobicContact CG2-CB 4.07Å; I44-R128 HydrophobicContact CG2-CG 4.29Å; I48-R128 HydrophobicContact CD1-CB 4.44Å; L124-R128 WeakPolarHBondContact O-CB 3.48Å; L124-R128 PolarHBondContact O-N 3.03Å; L124-R128 VanDerWaalsContact O-N 3.12Å; E125-R128 PolarHBondContact O-N 2.84Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 3.06Å; R128-G133 PolarHBondContact O-N 2.98Å |
| 129 | K | 93.8 | Very high | 92.9 | Very high | 114 Ų | 114 | 50.4 Ų | 50.4 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -76.5 | -47.1 | -178.6 | -70.8 | 163.8 | -168 | 166.9 | 0 | 112.4 | E125 D126 G133 | E125-K129 VanDerWaalsContact O-CB 3.31Å; E125-K129 WeakPolarHBondContact O-CB 3.49Å; E125-K129 WeakPolarHBondContact O-CD 3.3Å; E125-K129 WeakPolarHBondContact O-CG 3.48Å; E125-K129 PolarHBondContact O-N 3.17Å; E125-K129 VanDerWaalsContact OE2-CE 3.3Å; E125-K129 WeakPolarHBondContact OE2-CE 3.34Å; E125-K129 IonicContact OE2-NZ 2.74Å; E125-K129 PolarHBondContact OE2-NZ 2.8Å; D126-K129 PolarHBondContact O-N 3.06Å; K129-G133 CarbonylContact O-C 3.58Å; K129-G133 WeakPolarHBondContact O-CA 3.43Å; K129-G133 PolarHBondContact O-N 3.45Å |
| 130 | K | 94.2 | Very high | 93.4 | Very high | 129 Ų | 129 | 51.7 Ų | 51.7 | 56% | 0.561 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -87.7 | -46.8 | -170.6 | -61.1 | 173.2 | 175 | 171.1 | 0 | 112 | D126 G134 R192 | D126-K130 HydrophobicContact CB-CD 4.09Å; D126-K130 VanDerWaalsContact CG-CE 3.4Å; D126-K130 WeakPolarHBondContact O-CA 3.3Å; D126-K130 WeakPolarHBondContact O-CB 3.41Å; D126-K130 WeakPolarHBondContact O-CG 3.34Å; D126-K130 PolarHBondContact O-N 2.71Å; D126-K130 WeakPolarHBondContact OD1-CE 3.48Å; D126-K130 IonicContact OD1-NZ 3.07Å; D126-K130 PolarHBondContact OD1-NZ 3.29Å; D126-K130 WeakPolarHBondContact OD2-CE 3.44Å; D126-K130 IonicContact OD2-NZ 3.53Å; D126-K130 PolarHBondContact OD2-NZ 2.71Å; K130-G134 PolarHBondContact O-N 3.27Å; K130-R192 PolarHBondContact O-NH2 2.96Å |
| 131 | Q | 94 | Very high | 93.6 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -75.2 | -68.2 | 179.3 | -49.5 | -60.8 | 7.7 | 0 | 0 | 110.4 | F127 G134 R192 V196 E203 | F127-Q131 HydrophobicContact CD2-CB 4.34Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.21Å; F127-Q131 HydrophobicContact CE2-CG 3.82Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.41Å; F127-Q131 HydrophobicContact CZ-CG 4.5Å; F127-Q131 WeakPolarHBondContact O-CA 3.37Å; F127-Q131 VanDerWaalsContact O-CB 3.24Å; F127-Q131 WeakPolarHBondContact O-CB 3.34Å; F127-Q131 PolarHBondContact O-N 3.46Å; Q131-G134 PolarHBondContact O-N 3.05Å; Q131-R192 PolarHBondContact O-NH2 2.87Å; Q131-V196 HydrophobicContact CB-CG1 4.38Å; Q131-V196 HydrophobicContact CB-CG2 4.26Å; Q131-E203 PolarHBondContact NE2-OE1 2.67Å; Q131-E203 PolarHBondContact NE2-OE2 3.49Å |
| 132 | I | 92.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -69.6 | -44.4 | -175.5 | -58.2 | 179.8 | 0 | 0 | 0 | 112 | L37 T40 I44 F127 G134 V135 V196 | L37-I132 HydrophobicContact CD1-CB 4.38Å; L37-I132 HydrophobicContact CD1-CD1 4.4Å; L37-I132 HydrophobicContact CD1-CG1 3.99Å; L37-I132 HydrophobicContact CD1-CG2 3.86Å; L37-I132 HydrophobicContact CD2-CG2 4.49Å; L37-I132 HydrophobicContact CG-CG2 3.96Å; T40-I132 HydrophobicContact CG2-CD1 4.12Å; I44-I132 HydrophobicContact CD1-CD1 3.74Å; F127-I132 HydrophobicContact CE1-CD1 4.14Å; F127-I132 HydrophobicContact CE1-CG1 4.33Å; F127-I132 PolarHBondContact O-N 3.38Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.22Å; I132-V135 PolarHBondContact O-N 3.41Å; I132-V196 HydrophobicContact CG1-CG1 4.01Å |
| 133 | G | 92.2 | Very high | 94 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.6 | -30 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R128 K129 V135 K136 | R128-G133 PolarHBondContact O-N 2.98Å; K129-G133 CarbonylContact O-C 3.58Å; K129-G133 WeakPolarHBondContact O-CA 3.43Å; K129-G133 PolarHBondContact O-N 3.45Å; G133-V135 PolarHBondContact O-N 2.63Å; G133-K136 PolarHBondContact O-N 2.89Å |
| 134 | G | 92.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K130 Q131 I132 K136 E137 N138 | K130-G134 PolarHBondContact O-N 3.27Å; Q131-G134 PolarHBondContact O-N 3.05Å; I132-G134 VanDerWaalsContact C-N 3.27Å; I132-G134 PolarHBondContact O-N 3.22Å; G134-K136 PolarHBondContact O-N 3.41Å; G134-E137 WeakPolarHBondContact O-CB 3.3Å; G134-E137 PolarHBondContact O-N 3.27Å; G134-N138 PolarHBondContact O-N 3.49Å; G134-N138 VanDerWaalsContact O-N 3.12Å; G134-N138 PolarHBondContact O-OD1 3.38Å |
| 135 | V | 95.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.2 | -36.9 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | L37 I132 G133 E137 N138 K139 Y189 R192 I193 V196 | L37-V135 HydrophobicContact CD2-CB 3.7Å; L37-V135 HydrophobicContact CD2-CG1 3.54Å; L37-V135 HydrophobicContact CD2-CG2 3.77Å; I132-V135 PolarHBondContact O-N 3.41Å; G133-V135 PolarHBondContact O-N 2.63Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 2.99Å; V135-N138 PolarHBondContact O-N 3.3Å; V135-K139 PolarHBondContact O-N 3.36Å; V135-Y189 HydrophobicContact CG1-CD2 4.39Å; V135-Y189 HydrophobicContact CG1-CE2 3.65Å; V135-Y189 WeakPolarHBondContact O-CE2 3.42Å; V135-R192 HydrophobicContact CG2-CG 4.32Å; V135-I193 HydrophobicContact CG1-CG1 3.75Å; V135-V196 HydrophobicContact CG2-CB 4.13Å; V135-V196 HydrophobicContact CG2-CG1 4.36Å; V135-V196 HydrophobicContact CG2-CG2 3.72Å |
| 136 | K | 91.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 40% | 0.404 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.4 | -22.7 | 176.9 | -66 | -176.6 | 176.8 | -70.8 | 0 | 113.5 | D38 G133 G134 K140 | D38-K136 WeakPolarHBondContact OD1-CE 3.49Å; D38-K136 IonicContact OD1-NZ 3.55Å; D38-K136 PolarHBondContact OD1-NZ 3.03Å; D38-K136 IonicContact OD2-NZ 2.7Å; D38-K136 PolarHBondContact OD2-NZ 3.2Å; G133-K136 PolarHBondContact O-N 2.89Å; G134-K136 PolarHBondContact O-N 3.41Å; K136-K140 WeakPolarHBondContact O-CG 3.33Å; K136-K140 PolarHBondContact O-N 3.11Å |
| 137 | E | 90.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -81.5 | -39.8 | 172.6 | -163.9 | 60.9 | -147.3 | 0 | 0 | 111.3 | G134 V135 K139 K140 K141 | G134-E137 WeakPolarHBondContact O-CB 3.3Å; G134-E137 PolarHBondContact O-N 3.27Å; V135-E137 VanDerWaalsContact C-N 3.27Å; V135-E137 PolarHBondContact O-N 2.99Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.28Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 2.92Å; E137-K140 WeakPolarHBondContact OE2-CE 3.44Å; E137-K140 IonicContact OE2-NZ 3.25Å; E137-K140 PolarHBondContact OE2-NZ 2.89Å; E137-K141 PolarHBondContact O-N 3.07Å |
| 138 | N | 93.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 64.3 Ų | 64.3 | 19% | 0.187 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 168.6 | -74 | 88.3 | 0 | 0 | 0 | 111.5 | G134 V135 K140 K141 F142 Y189 | G134-N138 PolarHBondContact O-N 3.49Å; G134-N138 VanDerWaalsContact O-N 3.12Å; G134-N138 PolarHBondContact O-OD1 3.38Å; V135-N138 PolarHBondContact O-N 3.3Å; N138-K140 PolarHBondContact O-N 3.37Å; N138-K141 WeakPolarHBondContact O-CB 3.42Å; N138-K141 PolarHBondContact O-N 2.94Å; N138-K141 VanDerWaalsContact O-N 3.08Å; N138-F142 PolarHBondContact O-N 3.29Å; N138-Y189 HydrophobicContact CB-CD2 3.68Å; N138-Y189 HydrophobicContact CB-CE2 4.35Å |
| 139 | K | 95.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56 | -46.5 | 176.1 | -166.1 | -174.2 | -174.1 | -49.8 | 0 | 112.2 | E34 V135 E137 K141 F142 D143 Y189 | E34-K139 VanDerWaalsContact CD-CE 3.42Å; E34-K139 WeakPolarHBondContact OE1-CE 3.42Å; E34-K139 WeakPolarHBondContact OE2-CE 3.45Å; V135-K139 PolarHBondContact O-N 3.36Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 3.28Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.36Å; K139-F142 WeakPolarHBondContact O-CB 3.46Å; K139-F142 PolarHBondContact O-N 2.93Å; K139-D143 IonicContact NZ-OD1 2.67Å; K139-D143 PolarHBondContact NZ-OD1 2.65Å; K139-D143 IonicContact NZ-OD2 2.67Å; K139-D143 PolarHBondContact NZ-OD2 3.46Å; K139-D143 WeakPolarHBondContact O-CB 3.32Å; K139-D143 PolarHBondContact O-N 2.96Å; K139-Y189 HydrophobicContact CB-CE1 4.36Å; K139-Y189 HydrophobicContact CB-CE2 3.68Å; K139-Y189 WeakPolarHBondContact CB-OH 3.31Å; K139-Y189 WeakPolarHBondContact CD-OH 3.21Å; K139-Y189 HydrophobicContact CG-CE1 4.09Å; K139-Y189 HydrophobicContact CG-CE2 4.27Å; K139-Y189 VanDerWaalsContact CG-OH 3.28Å; K139-Y189 WeakPolarHBondContact CG-OH 3.35Å |
| 140 | K | 95.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 52% | 0.522 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -35.9 | 177.4 | -67.3 | 173.3 | -163.1 | 165.7 | 0 | 112.8 | K136 E137 N138 K144 | K136-K140 WeakPolarHBondContact O-CG 3.33Å; K136-K140 PolarHBondContact O-N 3.11Å; E137-K140 PolarHBondContact O-N 3.39Å; E137-K140 IonicContact OE1-NZ 2.92Å; E137-K140 WeakPolarHBondContact OE2-CE 3.44Å; E137-K140 IonicContact OE2-NZ 3.25Å; E137-K140 PolarHBondContact OE2-NZ 2.89Å; N138-K140 PolarHBondContact O-N 3.37Å; K140-K144 WeakPolarHBondContact O-CB 3.44Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.09Å |
| 141 | K | 95.3 | Very high | 94.7 | Very high | 97 Ų | 97 | 56.7 Ų | 56.7 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.2 | -49 | 176.8 | -63.8 | -178.1 | 178 | -172.6 | 0 | 110.9 | E137 N138 K139 K144 K145 E185 | E137-K141 PolarHBondContact O-N 3.07Å; N138-K141 WeakPolarHBondContact O-CB 3.42Å; N138-K141 PolarHBondContact O-N 2.94Å; N138-K141 VanDerWaalsContact O-N 3.08Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 3.36Å; K141-K144 PolarHBondContact O-N 2.93Å; K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.94Å; K141-E185 HydrophobicContact CB-CG 4.4Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.23Å; K141-E185 WeakPolarHBondContact CD-OE2 3.37Å |
| 142 | F | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.6 | -54.3 | 174.5 | 165.9 | -112.1 | 0 | 0 | 0 | 111.7 | L30 N138 K139 K144 K145 T146 Y182 S186 Y189 | L30-F142 HydrophobicContact CD2-CE1 3.78Å; L30-F142 HydrophobicContact CD2-CZ 3.74Å; N138-F142 PolarHBondContact O-N 3.29Å; K139-F142 WeakPolarHBondContact O-CB 3.46Å; K139-F142 PolarHBondContact O-N 2.93Å; F142-K144 VanDerWaalsContact C-N 3.3Å; F142-K144 PolarHBondContact O-N 3.34Å; F142-K145 PolarHBondContact O-N 3.27Å; F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 2.98Å; F142-T146 PolarHBondContact O-OG1 3.26Å; F142-Y182 HydrophobicContact CD2-CE2 4.31Å; F142-Y182 AromaticContact CE2-CE2 3.98Å; F142-Y182 HydrophobicContact CE2-CE2 3.98Å; F142-S186 VanDerWaalsContact CD2-OG 3.31Å; F142-S186 WeakPolarHBondContact CD2-OG 3.45Å; F142-S186 VanDerWaalsContact CE2-OG 3.28Å; F142-S186 WeakPolarHBondContact CE2-OG 3.31Å; F142-Y189 HydrophobicContact CB-CD1 3.98Å; F142-Y189 HydrophobicContact CB-CG 4.16Å; F142-Y189 AromaticContact CD1-CD1 3.48Å; F142-Y189 HydrophobicContact CD1-CD1 3.48Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.48Å; F142-Y189 AromaticContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CG 4.46Å; F142-Y189 HydrophobicContact CD2-CD1 4.25Å; F142-Y189 AromaticContact CE1-CD1 3.89Å; F142-Y189 HydrophobicContact CE1-CD1 3.89Å; F142-Y189 AromaticContact CE1-CE1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 3.92Å; F142-Y189 AromaticContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CE1 4.29Å; F142-Y189 HydrophobicContact CG-CG 4.3Å; F142-Y189 HydrophobicContact CZ-CD1 4.4Å |
| 143 | D | 96.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 60 Ų | 60 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.5 | -47.3 | 176.5 | -66.9 | -14.7 | 0 | 0 | 0 | 110.9 | K139 T146 E147 | K139-D143 IonicContact NZ-OD1 2.67Å; K139-D143 PolarHBondContact NZ-OD1 2.65Å; K139-D143 IonicContact NZ-OD2 2.67Å; K139-D143 PolarHBondContact NZ-OD2 3.46Å; K139-D143 WeakPolarHBondContact O-CB 3.32Å; K139-D143 PolarHBondContact O-N 2.96Å; D143-T146 WeakPolarHBondContact O-CB 3.23Å; D143-T146 PolarHBondContact O-N 3.34Å; D143-E147 WeakPolarHBondContact O-CB 3.47Å; D143-E147 PolarHBondContact O-N 3.47Å |
| 144 | K | 97 | Very high | 94.9 | Very high | 132 Ų | 132 | 64.1 Ų | 64.1 | 57% | 0.574 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71 | -28.7 | -178.8 | -176.2 | 173.4 | -177.4 | 173.4 | 0 | 114.4 | K140 K141 F142 K148 | K140-K144 WeakPolarHBondContact O-CB 3.44Å; K140-K144 PolarHBondContact O-N 2.91Å; K140-K144 VanDerWaalsContact O-N 3.09Å; K141-K144 PolarHBondContact O-N 2.93Å; F142-K144 VanDerWaalsContact C-N 3.3Å; F142-K144 PolarHBondContact O-N 3.34Å; K144-K148 WeakPolarHBondContact O-CG 3.16Å; K144-K148 PolarHBondContact O-N 2.98Å |
| 145 | K | 96.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 18% | 0.183 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79.9 | -38 | 172.3 | -65.8 | -56.2 | -175.9 | 115.6 | 0 | 111.4 | K141 F142 K148 F149 E181 E185 | K141-K145 WeakPolarHBondContact O-CG 3.35Å; K141-K145 PolarHBondContact O-N 2.94Å; F142-K145 PolarHBondContact O-N 3.27Å; K145-K148 PolarHBondContact O-N 3.48Å; K145-F149 WeakPolarHBondContact O-CB 3.34Å; K145-F149 PolarHBondContact O-N 2.74Å; K145-E181 HydrophobicContact CD-CB 4.06Å; K145-E181 IonicContact NZ-OE1 2.65Å; K145-E181 PolarHBondContact NZ-OE1 3.23Å; K145-E181 IonicContact NZ-OE2 3.28Å; K145-E181 PolarHBondContact NZ-OE2 3.21Å; K145-E185 HydrophobicContact CG-CB 4.17Å; K145-E185 HydrophobicContact CG-CG 3.88Å |
| 146 | T | 96.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 74 Ų | 74 | 13% | 0.129 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.3 | -52.2 | 170.8 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | F142 D143 K148 F149 C150 Y182 | F142-T146 WeakPolarHBondContact O-CB 3.31Å; F142-T146 PolarHBondContact O-N 2.98Å; F142-T146 PolarHBondContact O-OG1 3.26Å; D143-T146 WeakPolarHBondContact O-CB 3.23Å; D143-T146 PolarHBondContact O-N 3.34Å; T146-K148 PolarHBondContact O-N 2.9Å; T146-F149 PolarHBondContact O-N 3.45Å; T146-C150 PolarHBondContact O-N 2.96Å; T146-C150 PolarHBondContact O-SG 3.49Å; T146-Y182 HydrophobicContact CG2-CE2 4.22Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.25Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.31Å |
| 147 | E | 96.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 75.6 Ų | 75.6 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -53.7 | -49.5 | 177.1 | -173.7 | -164.8 | 172.3 | 0 | 0 | 112.1 | D143 Q151 | D143-E147 WeakPolarHBondContact O-CB 3.47Å; D143-E147 PolarHBondContact O-N 3.47Å; E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 VanDerWaalsContact O-CG 3.3Å; E147-Q151 WeakPolarHBondContact O-CG 3.19Å; E147-Q151 PolarHBondContact O-N 2.9Å; E147-Q151 PolarHBondContact OE1-NE2 2.9Å |
| 148 | K | 95.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 77 Ų | 77 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.7 | -81.6 | -174.1 | 165.7 | -151.4 | 0 | 113.2 | K144 K145 T146 S152 | K144-K148 WeakPolarHBondContact O-CG 3.16Å; K144-K148 PolarHBondContact O-N 2.98Å; K145-K148 PolarHBondContact O-N 3.48Å; T146-K148 PolarHBondContact O-N 2.9Å; K148-S152 WeakPolarHBondContact O-CB 3.41Å; K148-S152 PolarHBondContact O-N 3.43Å |
| 149 | F | 96.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 76.7 Ų | 76.7 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.6 | -51.1 | 179.4 | 171.2 | -120 | 0 | 0 | 0 | 110.6 | K145 T146 Q151 S152 Q153 L175 E179 Y182 | K145-F149 WeakPolarHBondContact O-CB 3.34Å; K145-F149 PolarHBondContact O-N 2.74Å; T146-F149 PolarHBondContact O-N 3.45Å; F149-Q151 PolarHBondContact O-N 3.35Å; F149-S152 PolarHBondContact O-N 3.21Å; F149-S152 VanDerWaalsContact O-N 3.1Å; F149-Q153 WeakPolarHBondContact O-CB 3.3Å; F149-Q153 PolarHBondContact O-N 2.96Å; F149-L175 HydrophobicContact CD2-CD1 3.98Å; F149-L175 HydrophobicContact CE2-CD1 3.79Å; F149-E179 HydrophobicContact CD2-CB 3.94Å; F149-E179 HydrophobicContact CE2-CB 3.61Å; F149-E179 HydrophobicContact CE2-CG 3.89Å; F149-E179 HydrophobicContact CZ-CB 4.44Å; F149-E179 HydrophobicContact CZ-CG 4.26Å; F149-Y182 HydrophobicContact CB-CG 4.24Å; F149-Y182 AromaticContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CE1 4.12Å; F149-Y182 HydrophobicContact CD1-CG 4.06Å; F149-Y182 AromaticContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CE1 4.24Å; F149-Y182 HydrophobicContact CG-CD1 4.17Å; F149-Y182 HydrophobicContact CG-CG 4.29Å |
| 150 | C | 94.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.4 | -62 | 0 | 0 | 0 | 0 | 112.2 | T146 S152 Q153 E154 | T146-C150 PolarHBondContact O-N 2.96Å; T146-C150 PolarHBondContact O-SG 3.49Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.44Å; C150-Q153 PolarHBondContact O-N 3.09Å; C150-E154 WeakPolarHBondContact O-CB 3.24Å; C150-E154 PolarHBondContact O-N 3.16Å |
| 151 | Q | 95.1 | Very high | 94 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 31% | 0.308 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.2 | -74.8 | 179.8 | 23.5 | 0 | 0 | 112.9 | E147 F149 R155 | E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 VanDerWaalsContact O-CG 3.3Å; E147-Q151 WeakPolarHBondContact O-CG 3.19Å; E147-Q151 PolarHBondContact O-N 2.9Å; E147-Q151 PolarHBondContact OE1-NE2 2.9Å; F149-Q151 PolarHBondContact O-N 3.35Å; Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.38Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.12Å |
| 152 | S | 93.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 82.1 Ų | 82.1 | 11% | 0.105 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 176.3 | -161.5 | 0 | 0 | 0 | 0 | 111.2 | K148 F149 C150 R155 F156 | K148-S152 WeakPolarHBondContact O-CB 3.41Å; K148-S152 PolarHBondContact O-N 3.43Å; F149-S152 PolarHBondContact O-N 3.21Å; F149-S152 VanDerWaalsContact O-N 3.1Å; C150-S152 VanDerWaalsContact C-N 3.33Å; C150-S152 PolarHBondContact O-N 3.44Å; S152-R155 PolarHBondContact O-N 2.79Å; S152-F156 WeakPolarHBondContact O-CB 3.34Å; S152-F156 PolarHBondContact O-N 2.98Å |
| 153 | Q | 94.5 | Very high | 93.4 | Very high | 81 Ų | 81 | 86.6 Ų | 86.6 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 177.6 | -171.3 | -175.6 | 64.9 | 0 | 0 | 110.9 | F149 C150 R155 F156 L157 L175 | F149-Q153 WeakPolarHBondContact O-CB 3.3Å; F149-Q153 PolarHBondContact O-N 2.96Å; C150-Q153 PolarHBondContact O-N 3.09Å; Q153-R155 PolarHBondContact O-N 2.6Å; Q153-F156 PolarHBondContact O-N 3.1Å; Q153-L157 HydrophobicContact CG-CD1 3.98Å; Q153-L157 HydrophobicContact CG-CG 4.49Å; Q153-L157 WeakPolarHBondContact O-CB 3.25Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.46Å; Q153-L157 PolarHBondContact O-N 3.32Å; Q153-L175 HydrophobicContact CB-CD1 3.87Å; Q153-L175 HydrophobicContact CG-CD1 4.49Å |
| 154 | E | 95 | Very high | 93.1 | Very high | 117 Ų | 117 | 87.6 Ų | 87.6 | 55% | 0.547 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.3 | -178.5 | -178.6 | -156.1 | 0 | 0 | 111.9 | C150 F156 N158 | C150-E154 WeakPolarHBondContact O-CB 3.24Å; C150-E154 PolarHBondContact O-N 3.16Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.02Å; E154-N158 VanDerWaalsContact CG-ND2 3.3Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.35Å; E154-N158 PolarHBondContact O-N 3.25Å; E154-N158 PolarHBondContact O-ND2 2.91Å |
| 155 | R | 92.5 | Very high | 92.7 | Very high | 172 Ų | 172 | 86.6 Ų | 86.6 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.3 | -33.4 | 177.2 | -72.9 | 169.4 | -163.4 | -171.2 | 9.6 | 113 | Q151 S152 Q153 M159 | Q151-R155 WeakPolarHBondContact O-CB 3.42Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.38Å; Q151-R155 WeakPolarHBondContact O-CG 3.47Å; Q151-R155 PolarHBondContact O-N 2.71Å; Q151-R155 VanDerWaalsContact O-N 3.12Å; S152-R155 PolarHBondContact O-N 2.79Å; Q153-R155 PolarHBondContact O-N 2.6Å; R155-M159 PolarHBondContact O-N 2.77Å |
| 156 | F | 92.4 | Very high | 92.4 | Very high | 58 Ų | 58 | 90 Ų | 90 | 25% | 0.254 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -72.1 | -48.4 | 176.2 | -176.9 | -100.3 | 0 | 0 | 0 | 111.2 | S152 Q153 E154 N158 M159 A171 D172 L175 | S152-F156 WeakPolarHBondContact O-CB 3.34Å; S152-F156 PolarHBondContact O-N 2.98Å; Q153-F156 PolarHBondContact O-N 3.1Å; E154-F156 VanDerWaalsContact C-N 3.33Å; E154-F156 PolarHBondContact O-N 3.02Å; F156-N158 PolarHBondContact O-N 3.16Å; F156-M159 HydrophobicContact CD2-CE 3.85Å; F156-M159 HydrophobicContact CE2-CE 4.1Å; F156-M159 WeakPolarHBondContact O-CB 3.46Å; F156-M159 PolarHBondContact O-N 3.27Å; F156-A171 HydrophobicContact CD2-CB 3.9Å; F156-A171 HydrophobicContact CE2-CB 4.45Å; F156-D172 HydrophobicContact CE2-CB 3.83Å; F156-D172 HydrophobicContact CZ-CB 4.26Å; F156-L175 HydrophobicContact CB-CD2 4.09Å; F156-L175 HydrophobicContact CD1-CD2 3.76Å; F156-L175 HydrophobicContact CE1-CD2 4.3Å; F156-L175 HydrophobicContact CG-CD2 3.9Å |
| 157 | L | 92.3 | Very high | 92.2 | Very high | 127 Ų | 127 | 91.1 Ų | 91.1 | 67% | 0.665 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 179 | -67.9 | 172.8 | 0 | 0 | 0 | 113 | Q153 M159 | Q153-L157 HydrophobicContact CG-CD1 3.98Å; Q153-L157 HydrophobicContact CG-CG 4.49Å; Q153-L157 WeakPolarHBondContact O-CB 3.25Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.46Å; Q153-L157 PolarHBondContact O-N 3.32Å; L157-M159 PolarHBondContact O-N 3.02Å |
| 158 | N | 92.7 | Very high | 91.9 | Very high | 125 Ų | 125 | 87.9 Ų | 87.9 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.7 | 174.4 | -72.5 | -56 | 0 | 0 | 0 | 113.8 | E154 F156 | E154-N158 VanDerWaalsContact CG-ND2 3.3Å; E154-N158 WeakPolarHBondContact CG-ND2 3.5Å; E154-N158 VanDerWaalsContact O-CB 3.28Å; E154-N158 WeakPolarHBondContact O-CB 3.35Å; E154-N158 PolarHBondContact O-N 3.25Å; E154-N158 PolarHBondContact O-ND2 2.91Å; F156-N158 PolarHBondContact O-N 3.16Å |
| 159 | M | 90.2 | Very high | 91.7 | Very high | 29 Ų | 29 | 88.8 Ų | 88.8 | 14% | 0.143 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -80.5 | 127.1 | -177.9 | -170.2 | 160.3 | 56.7 | 0 | 0 | 111.8 | R155 F156 L157 T161 K163 I168 A171 | R155-M159 PolarHBondContact O-N 2.77Å; F156-M159 HydrophobicContact CD2-CE 3.85Å; F156-M159 HydrophobicContact CE2-CE 4.1Å; F156-M159 WeakPolarHBondContact O-CB 3.46Å; F156-M159 PolarHBondContact O-N 3.27Å; L157-M159 PolarHBondContact O-N 3.02Å; M159-T161 PolarHBondContact O-N 3.43Å; M159-K163 HydrophobicContact CG-CD 3.7Å; M159-K163 HydrophobicContact CG-CG 4.29Å; M159-K163 HydrophobicContact SD-CD 3.66Å; M159-K163 PolarHBondContact SD-NZ 2.9Å; M159-I168 HydrophobicContact CE-CB 4.28Å; M159-I168 HydrophobicContact CE-CG1 4.13Å; M159-I168 HydrophobicContact CE-CG2 4.17Å; M159-A171 HydrophobicContact CE-CB 3.69Å; M159-A171 HydrophobicContact SD-CB 4.12Å |
| 160 | S | 88.5 | Confident | 91.4 | Very high | 65 Ų | 65 | 93.6 Ų | 93.6 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | trans | -64.9 | 130.2 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | K162 K163 | S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 3.48Å; S160-K163 PolarHBondContact O-N 3.43Å; S160-K163 VanDerWaalsContact O-N 3.1Å | ||
| 161 | T | 87.5 | Confident | 91.3 | Very high | 133 Ų | 133 | 92 Ų | 92 | 82% | 0.816 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -0.6 | 171.1 | 53.4 | 0 | 0 | 0 | 0 | 114.8 | M159 | M159-T161 PolarHBondContact O-N 3.43Š|
| 162 | K | 89.2 | Confident | 91.2 | Very high | 190 Ų | 190 | 93.3 Ų | 93.3 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -1.6 | 174.1 | -61.8 | -178.1 | 178.8 | -179.9 | 0 | 114 | S160 | S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 3.48Å |
| 163 | K | 87.9 | Confident | 91.3 | Very high | 97 Ų | 97 | 95.5 Ų | 95.5 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -69.2 | 157.9 | 174.4 | -76.4 | -159.5 | -169.3 | 168.6 | 0 | 111.4 | M159 S160 T167 I168 | M159-K163 HydrophobicContact CG-CD 3.7Å; M159-K163 HydrophobicContact CG-CG 4.29Å; M159-K163 HydrophobicContact SD-CD 3.66Å; M159-K163 PolarHBondContact SD-NZ 2.9Å; S160-K163 PolarHBondContact O-N 3.43Å; S160-K163 VanDerWaalsContact O-N 3.1Å; K163-T167 HydrophobicContact CD-CG2 3.77Å; K163-I168 HydrophobicContact CB-CG1 4.27Å |
| 164 | P | 90.2 | Very high | 91.2 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | trans | -57.4 | 140.7 | 170.2 | -22 | 33.7 | 0 | 0 | 0 | 111.4 | N166 T167 I168 | P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.98Å; P164-T167 WeakPolarHBondContact O-CA 3.39Å; P164-T167 WeakPolarHBondContact O-CB 3.3Å; P164-T167 PolarHBondContact O-N 2.86Å; P164-I168 PolarHBondContact O-N 2.92Å | ||
| 165 | E | 89.7 | Confident | 91.2 | Very high | 111 Ų | 111 | 89.1 Ų | 89.1 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -50 | -46.1 | -179.8 | 179.3 | 58.1 | -157.6 | 0 | 0 | 112.4 | T167 I168 Q169 | E165-T167 VanDerWaalsContact C-N 3.25Å; E165-T167 PolarHBondContact O-N 2.9Å; E165-I168 WeakPolarHBondContact O-CA 3.46Å; E165-I168 WeakPolarHBondContact O-CB 3.49Å; E165-I168 PolarHBondContact O-N 3.33Å; E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 2.95Å; E165-Q169 PolarHBondContact OE1-NE2 3.42Å |
| 166 | N | 90.3 | Very high | 91.3 | Very high | 112 Ų | 112 | 81.9 Ų | 81.9 | 60% | 0.599 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -54.2 | -39.9 | 176.3 | -60.4 | 17.4 | 0 | 0 | 0 | 112.7 | P164 I168 Q169 E170 | P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.98Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.45Å; N166-Q169 PolarHBondContact O-N 2.91Å; N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 VanDerWaalsContact O-CG 3.26Å; N166-E170 WeakPolarHBondContact O-CG 3.38Å; N166-E170 PolarHBondContact O-N 3.35Å |
| 167 | T | 91 | Very high | 91.5 | Very high | 45 Ų | 45 | 83.1 Ų | 83.1 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.9 | -23.5 | 179.3 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | K163 P164 E165 A171 | K163-T167 HydrophobicContact CD-CG2 3.77Å; P164-T167 WeakPolarHBondContact O-CA 3.39Å; P164-T167 WeakPolarHBondContact O-CB 3.3Å; P164-T167 PolarHBondContact O-N 2.86Å; E165-T167 VanDerWaalsContact C-N 3.25Å; E165-T167 PolarHBondContact O-N 2.9Å; T167-A171 PolarHBondContact O-N 3.07Å |
| 168 | I | 90.2 | Very high | 91.6 | Very high | 42 Ų | 42 | 78.5 Ų | 78.5 | 22% | 0.215 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -74.5 | -46.2 | 171.3 | -59 | 176.2 | 0 | 0 | 0 | 109.2 | M159 K163 P164 E165 N166 E170 A171 D172 | M159-I168 HydrophobicContact CE-CB 4.28Å; M159-I168 HydrophobicContact CE-CG1 4.13Å; M159-I168 HydrophobicContact CE-CG2 4.17Å; K163-I168 HydrophobicContact CB-CG1 4.27Å; P164-I168 PolarHBondContact O-N 2.92Å; E165-I168 WeakPolarHBondContact O-CA 3.46Å; E165-I168 WeakPolarHBondContact O-CB 3.49Å; E165-I168 PolarHBondContact O-N 3.33Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.45Å; I168-E170 PolarHBondContact O-N 3.43Å; I168-A171 PolarHBondContact O-N 3.36Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 2.63Å |
| 169 | Q | 91.1 | Very high | 91.8 | Very high | 108 Ų | 108 | 76.7 Ų | 76.7 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 176.8 | -65.3 | 178.5 | 6.3 | 0 | 0 | 113 | E165 N166 A171 D172 A173 | E165-Q169 WeakPolarHBondContact O-CG 3.4Å; E165-Q169 PolarHBondContact O-N 2.95Å; E165-Q169 PolarHBondContact OE1-NE2 3.42Å; N166-Q169 PolarHBondContact O-N 2.91Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.65Å; Q169-D172 PolarHBondContact O-N 3.45Å; Q169-A173 VanDerWaalsContact O-CB 3.28Å; Q169-A173 WeakPolarHBondContact O-CB 3.37Å; Q169-A173 PolarHBondContact O-N 3.13Å |
| 170 | E | 91.7 | Very high | 92 | Very high | 128 Ų | 128 | 83.5 Ų | 83.5 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.4 | -41.2 | 172.4 | -78.5 | 167.8 | 179.4 | 0 | 0 | 112.2 | N166 I168 S174 | N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 VanDerWaalsContact O-CG 3.26Å; N166-E170 WeakPolarHBondContact O-CG 3.38Å; N166-E170 PolarHBondContact O-N 3.35Å; I168-E170 PolarHBondContact O-N 3.43Å; E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 3.04Å |
| 171 | A | 92.1 | Very high | 92.4 | Very high | 26 Ų | 26 | 82.9 Ų | 82.9 | 22% | 0.215 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.8 | -37 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F156 M159 T167 I168 Q169 S174 L175 | F156-A171 HydrophobicContact CD2-CB 3.9Å; F156-A171 HydrophobicContact CE2-CB 4.45Å; M159-A171 HydrophobicContact CE-CB 3.69Å; M159-A171 HydrophobicContact SD-CB 4.12Å; T167-A171 PolarHBondContact O-N 3.07Å; I168-A171 PolarHBondContact O-N 3.36Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 2.65Å; A171-S174 PolarHBondContact O-N 3.38Å; A171-L175 WeakPolarHBondContact O-CB 3.41Å; A171-L175 PolarHBondContact O-N 2.64Å |
| 172 | D | 93.4 | Very high | 92.8 | Very high | 93 Ų | 93 | 76.9 Ų | 76.9 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 172.7 | -175.7 | 73.3 | 0 | 0 | 0 | 111.1 | F156 I168 Q169 S174 L175 G176 | F156-D172 HydrophobicContact CE2-CB 3.83Å; F156-D172 HydrophobicContact CZ-CB 4.26Å; I168-D172 WeakPolarHBondContact O-CB 3.43Å; I168-D172 PolarHBondContact O-N 2.63Å; Q169-D172 PolarHBondContact O-N 3.45Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.64Å; D172-L175 WeakPolarHBondContact O-CB 3.34Å; D172-L175 PolarHBondContact O-N 3.48Å; D172-G176 PolarHBondContact O-N 3.46Å |
| 173 | A | 94 | Very high | 93.1 | Very high | 61 Ų | 61 | 70 Ų | 70 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q169 M177 | Q169-A173 VanDerWaalsContact O-CB 3.28Å; Q169-A173 WeakPolarHBondContact O-CB 3.37Å; Q169-A173 PolarHBondContact O-N 3.13Å; A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.43Å; A173-M177 PolarHBondContact O-N 2.92Å |
| 174 | S | 93.7 | Very high | 93.5 | Very high | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 173.7 | -171.1 | 0 | 0 | 0 | 0 | 112.8 | E170 A171 D172 M177 H178 | E170-S174 WeakPolarHBondContact O-CB 3.39Å; E170-S174 PolarHBondContact O-N 3.04Å; A171-S174 PolarHBondContact O-N 3.38Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.64Å; S174-M177 PolarHBondContact O-N 3.28Å; S174-H178 PolarHBondContact O-CD2 3.09Å; S174-H178 PolarHBondContact O-N 3.48Å |
| 175 | L | 95.4 | Very high | 93.8 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.3 | -53.5 | 175.7 | 177.5 | 56.5 | 0 | 0 | 0 | 110.5 | F149 Q153 F156 A171 D172 M177 H178 E179 | F149-L175 HydrophobicContact CD2-CD1 3.98Å; F149-L175 HydrophobicContact CE2-CD1 3.79Å; Q153-L175 HydrophobicContact CB-CD1 3.87Å; Q153-L175 HydrophobicContact CG-CD1 4.49Å; F156-L175 HydrophobicContact CB-CD2 4.09Å; F156-L175 HydrophobicContact CD1-CD2 3.76Å; F156-L175 HydrophobicContact CE1-CD2 4.3Å; F156-L175 HydrophobicContact CG-CD2 3.9Å; A171-L175 WeakPolarHBondContact O-CB 3.41Å; A171-L175 PolarHBondContact O-N 2.64Å; D172-L175 WeakPolarHBondContact O-CB 3.34Å; D172-L175 PolarHBondContact O-N 3.48Å; L175-M177 PolarHBondContact O-N 2.89Å; L175-H178 PolarHBondContact O-N 3.46Å; L175-E179 WeakPolarHBondContact O-CB 3.46Å; L175-E179 PolarHBondContact O-N 2.91Å |
| 176 | G | 94.3 | Very high | 94 | Very high | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -19.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D172 R180 | D172-G176 PolarHBondContact O-N 3.46Å; G176-R180 WeakPolarHBondContact O-CG 3.4Å; G176-R180 PolarHBondContact O-NE 3.5Å; G176-R180 PolarHBondContact O-NH2 3.02Å |
| 177 | M | 95.7 | Very high | 94.3 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.9 | -54.9 | 165 | -178.9 | -177 | 66.2 | 0 | 0 | 111 | A173 S174 L175 E179 R180 E181 | A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.43Å; A173-M177 PolarHBondContact O-N 2.92Å; S174-M177 PolarHBondContact O-N 3.28Å; L175-M177 PolarHBondContact O-N 2.89Å; M177-E179 VanDerWaalsContact C-N 3.31Å; M177-E179 PolarHBondContact O-N 3.37Å; M177-R180 PolarHBondContact O-N 3.24Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.1Å |
| 178 | H | 96 | Very high | 94.6 | Very high | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -29.3 | -177.6 | -73.6 | -38.6 | 0 | 0 | 0 | 113.8 | S174 L175 E181 Y182 | S174-H178 PolarHBondContact O-CD2 3.09Å; S174-H178 PolarHBondContact O-N 3.48Å; L175-H178 PolarHBondContact O-N 3.46Å; H178-E181 IonicContact CE1-OE2 3.44Å; H178-E181 PolarHBondContact CE1-OE2 3.21Å; H178-E181 IonicContact CG-OE2 3.97Å; H178-E181 IonicContact ND1-OE2 3.89Å; H178-E181 PolarHBondContact ND1-OE2 3.23Å; H178-E181 PolarHBondContact O-N 3.12Å; H178-Y182 VanDerWaalsContact O-CB 3.23Å; H178-Y182 WeakPolarHBondContact O-CB 3.46Å; H178-Y182 PolarHBondContact O-N 3.29Å |
| 179 | E | 95.5 | Very high | 94.9 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 170.8 | -176.2 | 179.2 | -137.9 | 0 | 0 | 111.7 | F149 L175 M177 E181 Y182 I183 | F149-E179 HydrophobicContact CD2-CB 3.94Å; F149-E179 HydrophobicContact CE2-CB 3.61Å; F149-E179 HydrophobicContact CE2-CG 3.89Å; F149-E179 HydrophobicContact CZ-CB 4.44Å; F149-E179 HydrophobicContact CZ-CG 4.26Å; L175-E179 WeakPolarHBondContact O-CB 3.46Å; L175-E179 PolarHBondContact O-N 2.91Å; M177-E179 VanDerWaalsContact C-N 3.31Å; M177-E179 PolarHBondContact O-N 3.37Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E179-E181 PolarHBondContact O-N 2.87Å; E179-Y182 WeakPolarHBondContact O-CB 3.49Å; E179-Y182 PolarHBondContact O-N 2.98Å; E179-Y182 VanDerWaalsContact O-N 3.14Å; E179-I183 HydrophobicContact CG-CD1 3.95Å; E179-I183 WeakPolarHBondContact O-CG1 3.33Å; E179-I183 PolarHBondContact O-N 2.75Å |
| 180 | R | 95.5 | Very high | 95.1 | Very high | 171 Ų | 171 | 54.1 Ų | 54.1 | 65% | 0.645 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 175.9 | -74.7 | 177.6 | -70 | 175.3 | -2.5 | 111.9 | G176 M177 Y182 Q184 | G176-R180 WeakPolarHBondContact O-CG 3.4Å; G176-R180 PolarHBondContact O-NE 3.5Å; G176-R180 PolarHBondContact O-NH2 3.02Å; M177-R180 PolarHBondContact O-N 3.24Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.37Å; R180-Q184 VanDerWaalsContact O-CB 3.22Å; R180-Q184 WeakPolarHBondContact O-CB 3.44Å; R180-Q184 PolarHBondContact O-N 3.37Å |
| 181 | E | 96.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 174 | -73.3 | -162.6 | 118.1 | 0 | 0 | 113.1 | K145 M177 H178 E179 E185 | K145-E181 HydrophobicContact CD-CB 4.06Å; K145-E181 IonicContact NZ-OE1 2.65Å; K145-E181 PolarHBondContact NZ-OE1 3.23Å; K145-E181 IonicContact NZ-OE2 3.28Å; K145-E181 PolarHBondContact NZ-OE2 3.21Å; M177-E181 WeakPolarHBondContact O-CG 3.48Å; M177-E181 PolarHBondContact O-N 3.1Å; H178-E181 IonicContact CE1-OE2 3.44Å; H178-E181 PolarHBondContact CE1-OE2 3.21Å; H178-E181 IonicContact CG-OE2 3.97Å; H178-E181 IonicContact ND1-OE2 3.89Å; H178-E181 PolarHBondContact ND1-OE2 3.23Å; H178-E181 PolarHBondContact O-N 3.12Å; E179-E181 VanDerWaalsContact C-N 3.34Å; E179-E181 PolarHBondContact O-N 2.87Å; E181-E185 PolarHBondContact O-N 2.81Å |
| 182 | Y | 95.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.2 | -59.9 | 177 | 164.4 | -118.1 | 0 | 0 | 0 | 110.5 | D22 R27 F142 T146 F149 H178 E179 R180 Q184 E185 S186 | D22-Y182 PolarHBondContact OD1-OH 2.93Å; D22-Y182 PolarHBondContact OD2-OH 3.24Å; R27-Y182 PolarHBondContact NH2-OH 2.9Å; R27-Y182 VanDerWaalsContact NH2-OH 3.1Å; F142-Y182 HydrophobicContact CD2-CE2 4.31Å; F142-Y182 AromaticContact CE2-CE2 3.98Å; F142-Y182 HydrophobicContact CE2-CE2 3.98Å; T146-Y182 HydrophobicContact CG2-CE2 4.22Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.25Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.31Å; F149-Y182 HydrophobicContact CB-CG 4.24Å; F149-Y182 AromaticContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CD1 3.63Å; F149-Y182 HydrophobicContact CD1-CE1 4.12Å; F149-Y182 HydrophobicContact CD1-CG 4.06Å; F149-Y182 AromaticContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CD1 3.97Å; F149-Y182 HydrophobicContact CE1-CE1 4.24Å; F149-Y182 HydrophobicContact CG-CD1 4.17Å; F149-Y182 HydrophobicContact CG-CG 4.29Å; H178-Y182 VanDerWaalsContact O-CB 3.23Å; H178-Y182 WeakPolarHBondContact O-CB 3.46Å; H178-Y182 PolarHBondContact O-N 3.29Å; E179-Y182 WeakPolarHBondContact O-CB 3.49Å; E179-Y182 PolarHBondContact O-N 2.98Å; E179-Y182 VanDerWaalsContact O-N 3.14Å; R180-Y182 VanDerWaalsContact C-N 3.29Å; R180-Y182 PolarHBondContact O-N 3.37Å; Y182-Q184 PolarHBondContact O-N 3.15Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å; Y182-E185 PolarHBondContact O-N 3.48Å; Y182-E185 VanDerWaalsContact O-N 3.08Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.49Å; Y182-S186 WeakPolarHBondContact CE2-OG 3.35Å; Y182-S186 PolarHBondContact O-N 3.33Å; Y182-S186 PolarHBondContact O-OG 2.88Å |
| 183 | I | 95.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.1 | -41.4 | 179.9 | -66.4 | 168.4 | 0 | 0 | 0 | 111 | I20 E179 S186 L187 | I20-I183 HydrophobicContact CG1-CG2 4.16Å; E179-I183 HydrophobicContact CG-CD1 3.95Å; E179-I183 WeakPolarHBondContact O-CG1 3.33Å; E179-I183 PolarHBondContact O-N 2.75Å; I183-S186 PolarHBondContact O-N 3.1Å; I183-L187 HydrophobicContact CG2-CD1 3.69Å; I183-L187 HydrophobicContact CG2-CG 4.19Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.86Å |
| 184 | Q | 96.1 | Very high | 95.6 | Very high | 132 Ų | 132 | 48.7 Ų | 48.7 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.9 | -47.2 | 178.1 | -175.9 | 178.4 | 4.4 | 0 | 0 | 113.4 | R180 Y182 S188 | R180-Q184 VanDerWaalsContact O-CB 3.22Å; R180-Q184 WeakPolarHBondContact O-CB 3.44Å; R180-Q184 PolarHBondContact O-N 3.37Å; Y182-Q184 PolarHBondContact O-N 3.15Å; Y182-Q184 VanDerWaalsContact O-N 3.16Å; Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.36Å; Q184-S188 PolarHBondContact O-N 3.01Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; Q184-S188 PolarHBondContact O-OG 3.31Å |
| 185 | E | 95.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75.2 | -30.2 | 178.4 | -69.3 | -79.6 | -177.1 | 0 | 0 | 111.7 | K141 K145 E181 Y182 S188 Y189 | K141-E185 HydrophobicContact CB-CG 4.4Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.23Å; K141-E185 WeakPolarHBondContact CD-OE2 3.37Å; K145-E185 HydrophobicContact CG-CB 4.17Å; K145-E185 HydrophobicContact CG-CG 3.88Å; E181-E185 PolarHBondContact O-N 2.81Å; Y182-E185 PolarHBondContact O-N 3.48Å; Y182-E185 VanDerWaalsContact O-N 3.08Å; E185-S188 PolarHBondContact O-N 3.02Å; E185-Y189 VanDerWaalsContact O-CB 3.28Å; E185-Y189 WeakPolarHBondContact O-CB 3.46Å; E185-Y189 PolarHBondContact O-N 3.18Å |
| 186 | S | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -53.2 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | F142 Y182 I183 S188 Y189 V190 | F142-S186 VanDerWaalsContact CD2-OG 3.31Å; F142-S186 WeakPolarHBondContact CD2-OG 3.45Å; F142-S186 VanDerWaalsContact CE2-OG 3.28Å; F142-S186 WeakPolarHBondContact CE2-OG 3.31Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.49Å; Y182-S186 WeakPolarHBondContact CE2-OG 3.35Å; Y182-S186 PolarHBondContact O-N 3.33Å; Y182-S186 PolarHBondContact O-OG 2.88Å; I183-S186 PolarHBondContact O-N 3.1Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.3Å; S186-Y189 PolarHBondContact O-N 3.4Å; S186-Y189 VanDerWaalsContact O-N 3.1Å; S186-V190 PolarHBondContact O-N 2.75Å |
| 187 | L | 96.3 | Very high | 95.6 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 175.8 | -65.8 | 172.7 | 0 | 0 | 0 | 111.1 | F16 C19 I20 I183 Y189 L191 | F16-L187 HydrophobicContact CB-CD2 3.73Å; F16-L187 HydrophobicContact CD1-CD2 3.41Å; F16-L187 VanDerWaalsContact CD1-CD2 3.41Å; F16-L187 HydrophobicContact CE1-CD2 4.25Å; F16-L187 HydrophobicContact CG-CD2 3.84Å; C19-L187 HydrophobicContact CB-CD2 4.26Å; I20-L187 HydrophobicContact CD1-CD2 4.39Å; I20-L187 HydrophobicContact CG1-CD2 4.19Å; I183-L187 HydrophobicContact CG2-CD1 3.69Å; I183-L187 HydrophobicContact CG2-CG 4.19Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 VanDerWaalsContact O-CG 3.28Å; I183-L187 WeakPolarHBondContact O-CG 3.39Å; I183-L187 PolarHBondContact O-N 2.86Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.33Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.35Å; L187-L191 PolarHBondContact O-N 3.33Å |
| 188 | S | 96 | Very high | 95.5 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 34% | 0.343 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | Q184 E185 S186 R192 | Q184-S188 VanDerWaalsContact O-CB 3.3Å; Q184-S188 WeakPolarHBondContact O-CB 3.36Å; Q184-S188 PolarHBondContact O-N 3.01Å; Q184-S188 VanDerWaalsContact O-N 3.16Å; Q184-S188 PolarHBondContact O-OG 3.31Å; E185-S188 PolarHBondContact O-N 3.02Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 3.3Å; S188-R192 VanDerWaalsContact O-CB 3.26Å; S188-R192 WeakPolarHBondContact O-CB 3.25Å; S188-R192 PolarHBondContact O-N 3.02Å; S188-R192 VanDerWaalsContact O-N 3.11Å |
| 189 | Y | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.7 | -47 | 177.9 | -178.1 | -136 | 0 | 0 | 0 | 111.6 | L30 E34 V135 N138 K139 F142 E185 S186 L187 L191 R192 I193 | L30-Y189 HydrophobicContact CD1-CD1 4.3Å; L30-Y189 HydrophobicContact CD1-CE1 3.97Å; L30-Y189 HydrophobicContact CD2-CE1 4.21Å; L30-Y189 HydrophobicContact CG-CE1 4.4Å; E34-Y189 VanDerWaalsContact CD-OH 3.23Å; E34-Y189 WeakPolarHBondContact CG-OH 3.38Å; E34-Y189 WeakPolarHBondContact OE1-CE1 3.2Å; E34-Y189 PolarHBondContact OE1-OH 3.49Å; V135-Y189 HydrophobicContact CG1-CD2 4.39Å; V135-Y189 HydrophobicContact CG1-CE2 3.65Å; V135-Y189 WeakPolarHBondContact O-CE2 3.42Å; N138-Y189 HydrophobicContact CB-CD2 3.68Å; N138-Y189 HydrophobicContact CB-CE2 4.35Å; K139-Y189 HydrophobicContact CB-CE1 4.36Å; K139-Y189 HydrophobicContact CB-CE2 3.68Å; K139-Y189 WeakPolarHBondContact CB-OH 3.31Å; K139-Y189 WeakPolarHBondContact CD-OH 3.21Å; K139-Y189 HydrophobicContact CG-CE1 4.09Å; K139-Y189 HydrophobicContact CG-CE2 4.27Å; K139-Y189 VanDerWaalsContact CG-OH 3.28Å; K139-Y189 WeakPolarHBondContact CG-OH 3.35Å; F142-Y189 HydrophobicContact CB-CD1 3.98Å; F142-Y189 HydrophobicContact CB-CG 4.16Å; F142-Y189 AromaticContact CD1-CD1 3.48Å; F142-Y189 HydrophobicContact CD1-CD1 3.48Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.48Å; F142-Y189 AromaticContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CE1 3.65Å; F142-Y189 HydrophobicContact CD1-CG 4.46Å; F142-Y189 HydrophobicContact CD2-CD1 4.25Å; F142-Y189 AromaticContact CE1-CD1 3.89Å; F142-Y189 HydrophobicContact CE1-CD1 3.89Å; F142-Y189 AromaticContact CE1-CE1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 3.92Å; F142-Y189 AromaticContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CD1 3.66Å; F142-Y189 HydrophobicContact CG-CE1 4.29Å; F142-Y189 HydrophobicContact CG-CG 4.3Å; F142-Y189 HydrophobicContact CZ-CD1 4.4Å; E185-Y189 VanDerWaalsContact O-CB 3.28Å; E185-Y189 WeakPolarHBondContact O-CB 3.46Å; E185-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 PolarHBondContact O-N 3.4Å; S186-Y189 VanDerWaalsContact O-N 3.1Å; L187-Y189 VanDerWaalsContact C-N 3.34Å; L187-Y189 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 2.88Å; Y189-R192 PolarHBondContact O-N 3.07Å; Y189-I193 HydrophobicContact CD1-CD1 4.35Å; Y189-I193 HydrophobicContact CD2-CD1 4.27Å; Y189-I193 HydrophobicContact CD2-CG1 4.38Å; Y189-I193 HydrophobicContact CE1-CD1 3.96Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.1Å; Y189-I193 HydrophobicContact CG-CD1 4.49Å; Y189-I193 WeakPolarHBondContact O-CG1 3.48Å; Y189-I193 PolarHBondContact O-N 2.64Å |
| 190 | V | 95.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 174.7 | 163.2 | 0 | 0 | 0 | 0 | 112 | L14 F16 C19 F26 S186 R192 I193 Q194 | L14-V190 HydrophobicContact CB-CG1 3.59Å; L14-V190 HydrophobicContact CB-CG2 4.42Å; L14-V190 VanDerWaalsContact O-CG1 3.26Å; L14-V190 WeakPolarHBondContact O-CG1 3.19Å; F16-V190 HydrophobicContact CD1-CG1 3.9Å; F16-V190 HydrophobicContact CE1-CB 4.32Å; F16-V190 HydrophobicContact CE1-CG1 3.75Å; C19-V190 HydrophobicContact CB-CG2 4.22Å; F26-V190 HydrophobicContact CE2-CG2 3.75Å; F26-V190 HydrophobicContact CZ-CG2 3.61Å; S186-V190 PolarHBondContact O-N 2.75Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.29Å; V190-I193 PolarHBondContact O-N 3.32Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.03Å |
| 191 | L | 95.3 | Very high | 95.4 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.2 | 176.9 | 60.6 | 0 | 0 | 0 | 111.2 | F16 L187 Y189 Q194 E195 | F16-L191 HydrophobicContact CE1-CB 4.32Å; F16-L191 HydrophobicContact CZ-CB 4.23Å; F16-L191 HydrophobicContact CZ-CD1 4.42Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.35Å; L187-L191 PolarHBondContact O-N 3.33Å; Y189-L191 PolarHBondContact O-N 2.88Å; L191-Q194 PolarHBondContact O-N 2.93Å; L191-E195 WeakPolarHBondContact O-CB 3.37Å; L191-E195 PolarHBondContact O-N 3.36Å |
| 192 | R | 95.7 | Very high | 95.4 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 15% | 0.151 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.1 | -30.5 | -176.9 | -175.3 | 55.7 | -178.6 | 168.9 | 5.9 | 113.4 | K130 Q131 V135 S188 Y189 V190 E195 V196 | K130-R192 PolarHBondContact O-NH2 2.96Å; Q131-R192 PolarHBondContact O-NH2 2.87Å; V135-R192 HydrophobicContact CG2-CG 4.32Å; S188-R192 VanDerWaalsContact O-CB 3.26Å; S188-R192 WeakPolarHBondContact O-CB 3.25Å; S188-R192 PolarHBondContact O-N 3.02Å; S188-R192 VanDerWaalsContact O-N 3.11Å; Y189-R192 PolarHBondContact O-N 3.07Å; V190-R192 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.29Å; R192-E195 VanDerWaalsContact CD-OE2 3.25Å; R192-E195 WeakPolarHBondContact CD-OE2 3.32Å; R192-E195 IonicContact CZ-OE2 2.67Å; R192-E195 IonicContact NE-OE2 3.24Å; R192-E195 IonicContact NH1-OE1 3.8Å; R192-E195 PolarHBondContact NH1-OE1 2.95Å; R192-E195 VanDerWaalsContact NH1-OE1 3.09Å; R192-E195 IonicContact NH1-OE2 2.66Å; R192-E195 PolarHBondContact NH1-OE2 3.47Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.37Å |
| 193 | I | 96.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62 | -52.1 | 170 | -74 | 170 | 0 | 0 | 0 | 110.1 | L14 L30 H33 V135 Y189 V190 E195 V196 Q197 | L14-I193 HydrophobicContact CD1-CB 4.31Å; L14-I193 HydrophobicContact CD1-CD1 4.22Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L30-I193 HydrophobicContact CD1-CD1 3.43Å; L30-I193 VanDerWaalsContact CD1-CD1 3.43Å; H33-I193 HydrophobicContact CB-CG2 3.94Å; V135-I193 HydrophobicContact CG1-CG1 3.75Å; Y189-I193 HydrophobicContact CD1-CD1 4.35Å; Y189-I193 HydrophobicContact CD2-CD1 4.27Å; Y189-I193 HydrophobicContact CD2-CG1 4.38Å; Y189-I193 HydrophobicContact CE1-CD1 3.96Å; Y189-I193 HydrophobicContact CE2-CD1 3.9Å; Y189-I193 HydrophobicContact CE2-CG1 4.1Å; Y189-I193 HydrophobicContact CG-CD1 4.49Å; Y189-I193 WeakPolarHBondContact O-CG1 3.48Å; Y189-I193 PolarHBondContact O-N 2.64Å; V190-I193 PolarHBondContact O-N 3.32Å; I193-E195 PolarHBondContact O-N 3.42Å; I193-V196 PolarHBondContact O-N 3.12Å; I193-Q197 PolarHBondContact O-N 3.44Å |
| 194 | Q | 94.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | -176.8 | -66.6 | -178.3 | 101.3 | 0 | 0 | 111.5 | L14 V190 L191 V196 Q197 E198 | L14-Q194 HydrophobicContact CB-CG 4.49Å; L14-Q194 PolarHBondContact O-NE2 3.21Å; V190-Q194 PolarHBondContact O-N 2.85Å; V190-Q194 PolarHBondContact O-NE2 3.03Å; L191-Q194 PolarHBondContact O-N 2.93Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.48Å; Q194-Q197 PolarHBondContact O-N 2.98Å; Q194-E198 PolarHBondContact O-N 3.03Å |
| 195 | E | 94.9 | Very high | 95.3 | Very high | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 173.6 | -165.8 | -152.6 | 156.2 | 0 | 0 | 112.3 | L191 R192 I193 E198 R199 | L191-E195 WeakPolarHBondContact O-CB 3.37Å; L191-E195 PolarHBondContact O-N 3.36Å; R192-E195 VanDerWaalsContact CD-OE2 3.25Å; R192-E195 WeakPolarHBondContact CD-OE2 3.32Å; R192-E195 IonicContact CZ-OE2 2.67Å; R192-E195 IonicContact NE-OE2 3.24Å; R192-E195 IonicContact NH1-OE1 3.8Å; R192-E195 PolarHBondContact NH1-OE1 2.95Å; R192-E195 VanDerWaalsContact NH1-OE1 3.09Å; R192-E195 IonicContact NH1-OE2 2.66Å; R192-E195 PolarHBondContact NH1-OE2 3.47Å; I193-E195 PolarHBondContact O-N 3.42Å; E195-E198 PolarHBondContact O-N 3.24Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 3.98Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 3.62Å; E195-R199 PolarHBondContact OE1-NH2 3.27Å |
| 196 | V | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.5 | -32.7 | 179.4 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | L37 Q131 I132 V135 R192 I193 Q194 R199 I200 | L37-V196 HydrophobicContact CD1-CG1 3.87Å; Q131-V196 HydrophobicContact CB-CG1 4.38Å; Q131-V196 HydrophobicContact CB-CG2 4.26Å; I132-V196 HydrophobicContact CG1-CG1 4.01Å; V135-V196 HydrophobicContact CG2-CB 4.13Å; V135-V196 HydrophobicContact CG2-CG1 4.36Å; V135-V196 HydrophobicContact CG2-CG2 3.72Å; R192-V196 WeakPolarHBondContact O-CG2 3.46Å; R192-V196 PolarHBondContact O-N 3.37Å; I193-V196 PolarHBondContact O-N 3.12Å; Q194-V196 VanDerWaalsContact C-N 3.33Å; Q194-V196 PolarHBondContact O-N 3.48Å; V196-R199 PolarHBondContact O-N 2.96Å; V196-I200 HydrophobicContact CG1-CD1 4.4Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.28Å |
| 197 | Q | 92.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 20% | 0.201 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 172.6 | -73.8 | -178.5 | -4.8 | 0 | 0 | 113.1 | H33 I193 Q194 | H33-Q197 PolarHBondContact CE1-OE1 3.1Å; H33-Q197 PolarHBondContact ND1-NE2 3.31Å; H33-Q197 PolarHBondContact ND1-OE1 3.43Å; I193-Q197 PolarHBondContact O-N 3.44Å; Q194-Q197 PolarHBondContact O-N 2.98Å |
| 198 | E | 93.9 | Very high | 95 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 170.9 | -64.9 | -50.4 | 131.1 | 0 | 0 | 111.7 | Q194 E195 I200 K201 F202 | Q194-E198 PolarHBondContact O-N 3.03Å; E195-E198 PolarHBondContact O-N 3.24Å; E198-I200 PolarHBondContact O-N 2.97Å; E198-K201 WeakPolarHBondContact O-CB 3.34Å; E198-K201 PolarHBondContact O-N 2.69Å; E198-K201 WeakPolarHBondContact OE1-CE 3.34Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.69Å; E198-K201 WeakPolarHBondContact OE2-CD 3.44Å; E198-K201 WeakPolarHBondContact OE2-CE 3.04Å; E198-K201 IonicContact OE2-NZ 2.73Å; E198-K201 PolarHBondContact OE2-NZ 3.2Å; E198-F202 HydrophobicContact CB-CE1 4.35Å; E198-F202 WeakPolarHBondContact O-CD1 3.4Å; E198-F202 VanDerWaalsContact O-CE1 3.3Å; E198-F202 WeakPolarHBondContact O-CE1 3.32Å |
| 199 | R | 96.1 | Very high | 95 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 25% | 0.253 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -31.9 | 177.4 | -74.6 | 177.3 | -178.2 | -79.3 | -4.1 | 113.8 | F127 E195 V196 K201 F202 E203 F204 | F127-R199 HydrophobicContact CE2-CB 4.12Å; F127-R199 HydrophobicContact CZ-CB 4.43Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.49Å; E195-R199 IonicContact OE1-CZ 2.69Å; E195-R199 IonicContact OE1-NE 3.98Å; E195-R199 PolarHBondContact OE1-NE 3.07Å; E195-R199 IonicContact OE1-NH2 3.62Å; E195-R199 PolarHBondContact OE1-NH2 3.27Å; V196-R199 PolarHBondContact O-N 2.96Å; R199-K201 PolarHBondContact O-N 3.49Å; R199-F202 HydrophobicContact CB-CZ 4.34Å; R199-F202 HydrophobicContact CG-CE1 4.34Å; R199-F202 HydrophobicContact CG-CE2 4.39Å; R199-F202 HydrophobicContact CG-CZ 3.78Å; R199-F202 PolarHBondContact O-N 3.29Å; R199-E203 HydrophobicContact CB-CB 4.42Å; R199-E203 WeakPolarHBondContact CD-OE2 3.4Å; R199-E203 WeakPolarHBondContact CG-OE2 3.11Å; R199-E203 IonicContact CZ-OE2 2.64Å; R199-E203 IonicContact NE-OE2 3Å; R199-E203 IonicContact NH1-OE2 3.18Å; R199-E203 PolarHBondContact NH1-OE2 3.28Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 PolarHBondContact O-N 3.24Å; R199-F204 PolarHBondContact O-N 3.41Å |
| 200 | I | 94.5 | Very high | 94.8 | Very high | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.2 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -29.8 | 173.8 | -71.7 | 160.4 | 0 | 0 | 0 | 111.8 | L37 T40 F127 V196 E198 | L37-I200 HydrophobicContact CD1-CD1 4.48Å; T40-I200 HydrophobicContact CG2-CD1 3.94Å; F127-I200 HydrophobicContact CE1-CG1 3.97Å; F127-I200 HydrophobicContact CZ-CB 4.46Å; F127-I200 HydrophobicContact CZ-CG1 3.73Å; V196-I200 HydrophobicContact CG1-CD1 4.4Å; V196-I200 VanDerWaalsContact O-CG1 3.31Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.28Å; E198-I200 PolarHBondContact O-N 2.97Å |
| 201 | K | 93.7 | Very high | 94.6 | Very high | 127 Ų | 127 | 59 Ų | 59 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -78 | -28 | -176.5 | -54.3 | 176.7 | -164.6 | 168.4 | 0 | 113.8 | E198 R199 V205 | E198-K201 WeakPolarHBondContact O-CB 3.34Å; E198-K201 PolarHBondContact O-N 2.69Å; E198-K201 WeakPolarHBondContact OE1-CE 3.34Å; E198-K201 IonicContact OE1-NZ 2.75Å; E198-K201 PolarHBondContact OE1-NZ 2.69Å; E198-K201 WeakPolarHBondContact OE2-CD 3.44Å; E198-K201 WeakPolarHBondContact OE2-CE 3.04Å; E198-K201 IonicContact OE2-NZ 2.73Å; E198-K201 PolarHBondContact OE2-NZ 3.2Å; R199-K201 PolarHBondContact O-N 3.49Å; K201-V205 WeakPolarHBondContact O-CG2 3.31Å |
| 202 | F | 95.6 | Very high | 94.5 | Very high | 103 Ų | 103 | 58.6 Ų | 58.6 | 45% | 0.452 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -65.8 | -179.5 | 61.5 | -89.3 | 0 | 0 | 0 | 112.1 | E198 R199 F204 V205 E206 | E198-F202 HydrophobicContact CB-CE1 4.35Å; E198-F202 WeakPolarHBondContact O-CD1 3.4Å; E198-F202 VanDerWaalsContact O-CE1 3.3Å; E198-F202 WeakPolarHBondContact O-CE1 3.32Å; R199-F202 HydrophobicContact CB-CZ 4.34Å; R199-F202 HydrophobicContact CG-CE1 4.34Å; R199-F202 HydrophobicContact CG-CE2 4.39Å; R199-F202 HydrophobicContact CG-CZ 3.78Å; R199-F202 PolarHBondContact O-N 3.29Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 3.38Å; F202-V205 CarbonylContact O-C 3.57Å; F202-V205 PolarHBondContact O-N 2.82Å; F202-E206 WeakPolarHBondContact O-CB 3.47Å; F202-E206 WeakPolarHBondContact O-CG 3.39Å; F202-E206 PolarHBondContact O-N 3.37Å |
| 203 | E | 95 | Very high | 94.4 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 20% | 0.201 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.2 | -41.6 | -171.5 | -172.5 | -176.3 | 146.8 | 0 | 0 | 112.7 | F127 Q131 R199 I207 | F127-E203 HydrophobicContact CD2-CB 4.29Å; F127-E203 HydrophobicContact CD2-CG 3.87Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.36Å; F127-E203 HydrophobicContact CE2-CB 3.95Å; F127-E203 HydrophobicContact CE2-CG 4Å; Q131-E203 PolarHBondContact NE2-OE1 2.67Å; Q131-E203 PolarHBondContact NE2-OE2 3.49Å; R199-E203 HydrophobicContact CB-CB 4.42Å; R199-E203 WeakPolarHBondContact CD-OE2 3.4Å; R199-E203 WeakPolarHBondContact CG-OE2 3.11Å; R199-E203 IonicContact CZ-OE2 2.64Å; R199-E203 IonicContact NE-OE2 3Å; R199-E203 IonicContact NH1-OE2 3.18Å; R199-E203 PolarHBondContact NH1-OE2 3.28Å; R199-E203 WeakPolarHBondContact O-CB 3.45Å; R199-E203 PolarHBondContact O-N 3.24Å; E203-I207 WeakPolarHBondContact O-CD1 3.44Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å |
| 204 | F | 94.7 | Very high | 94.2 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.3 | -36.5 | 174.6 | 172.6 | -105.2 | 0 | 0 | 0 | 113.3 | I44 I47 L124 F127 R199 F202 L208 | I44-F204 HydrophobicContact CB-CE2 4.45Å; I44-F204 HydrophobicContact CD1-CD2 3.95Å; I44-F204 HydrophobicContact CD1-CE2 3.81Å; I44-F204 HydrophobicContact CD1-CG 4.48Å; I44-F204 HydrophobicContact CD1-CZ 4.22Å; I44-F204 HydrophobicContact CG1-CD2 4.33Å; I44-F204 HydrophobicContact CG1-CE2 3.66Å; I44-F204 HydrophobicContact CG1-CZ 3.84Å; I44-F204 HydrophobicContact CG2-CE2 4.09Å; I47-F204 HydrophobicContact CD1-CZ 4.05Å; L124-F204 HydrophobicContact CD2-CD2 3.96Å; L124-F204 HydrophobicContact CD2-CE2 3.72Å; F127-F204 HydrophobicContact CD1-CB 4.16Å; F127-F204 HydrophobicContact CD1-CD2 4.1Å; F127-F204 HydrophobicContact CD2-CB 4.38Å; F127-F204 HydrophobicContact CE1-CB 3.82Å; F127-F204 HydrophobicContact CE1-CD2 4.31Å; F127-F204 HydrophobicContact CE1-CG 4.31Å; F127-F204 HydrophobicContact CE2-CB 4.06Å; F127-F204 HydrophobicContact CG-CB 4.45Å; F127-F204 HydrophobicContact CZ-CB 3.77Å; R199-F204 PolarHBondContact O-N 3.41Å; F202-F204 VanDerWaalsContact C-N 3.35Å; F202-F204 PolarHBondContact O-N 3.38Å; F204-L208 HydrophobicContact CD1-CD1 4.41Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE2-CD1 4.35Å; F204-L208 HydrophobicContact CZ-CD1 3.66Å; F204-L208 HydrophobicContact CZ-CG 4.34Å; F204-L208 PolarHBondContact O-N 3.42Å |
| 205 | V | 95.5 | Very high | 94.2 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | -179.8 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | K201 F202 I207 L208 L209 | K201-V205 WeakPolarHBondContact O-CG2 3.31Å; F202-V205 CarbonylContact O-C 3.57Å; F202-V205 PolarHBondContact O-N 2.82Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 2.86Å; V205-L208 PolarHBondContact O-N 3.05Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 PolarHBondContact O-N 3.29Å |
| 206 | E | 95 | Very high | 94.2 | Very high | 113 Ų | 113 | 61.5 Ų | 61.5 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 174.9 | -75.5 | 174.8 | 155.6 | 0 | 0 | 111.8 | F202 L209 A210 | F202-E206 WeakPolarHBondContact O-CB 3.47Å; F202-E206 WeakPolarHBondContact O-CG 3.39Å; F202-E206 PolarHBondContact O-N 3.37Å; E206-L209 PolarHBondContact O-N 2.92Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 2.94Å |
| 207 | I | 94.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 175.2 | -61.1 | 160.3 | 0 | 0 | 0 | 110.7 | I120 L124 F127 E203 V205 A210 F211 | I120-I207 HydrophobicContact CD1-CG2 4.4Å; I120-I207 WeakPolarHBondContact CD1-O 3.25Å; I120-I207 HydrophobicContact CG2-CG2 4.02Å; L124-I207 HydrophobicContact CD2-CB 4.21Å; L124-I207 HydrophobicContact CD2-CG2 3.63Å; L124-I207 HydrophobicContact CG-CG2 3.68Å; F127-I207 HydrophobicContact CB-CD1 4.29Å; E203-I207 WeakPolarHBondContact O-CD1 3.44Å; E203-I207 VanDerWaalsContact O-CG1 3.31Å; E203-I207 WeakPolarHBondContact O-CG1 3.4Å; V205-I207 VanDerWaalsContact C-N 3.32Å; V205-I207 PolarHBondContact O-N 2.86Å; I207-A210 PolarHBondContact O-N 3.19Å; I207-F211 PolarHBondContact O-N 3.22Å; I207-F211 VanDerWaalsContact O-N 3.16Å |
| 208 | L | 94.1 | Very high | 94.3 | Very high | 49 Ų | 49 | 64.1 Ų | 64.1 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 176.9 | -65.4 | -178.3 | 0 | 0 | 0 | 112.6 | I47 L124 F204 V205 F211 I212 | I47-L208 HydrophobicContact CG2-CD2 4.27Å; L124-L208 HydrophobicContact CD1-CD2 4.44Å; L124-L208 HydrophobicContact CD2-CD2 4.15Å; F204-L208 HydrophobicContact CD1-CD1 4.41Å; F204-L208 HydrophobicContact CE1-CD1 3.69Å; F204-L208 HydrophobicContact CE2-CD1 4.35Å; F204-L208 HydrophobicContact CZ-CD1 3.66Å; F204-L208 HydrophobicContact CZ-CG 4.34Å; F204-L208 PolarHBondContact O-N 3.42Å; V205-L208 PolarHBondContact O-N 3.05Å; L208-F211 WeakPolarHBondContact O-CB 3.33Å; L208-F211 PolarHBondContact O-N 3.44Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.43Å; L208-I212 VanDerWaalsContact O-N 3.1Å |
| 209 | L | 94.1 | Very high | 94.4 | Very high | 108 Ų | 108 | 66.1 Ų | 66.1 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62 | -47.6 | 174.5 | 179.2 | 61.1 | 0 | 0 | 0 | 110.8 | V205 E206 F211 I212 S213 | V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 PolarHBondContact O-N 3.29Å; E206-L209 PolarHBondContact O-N 2.92Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.15Å; L209-I212 PolarHBondContact O-N 3.04Å; L209-S213 WeakPolarHBondContact O-CB 3.21Å; L209-S213 PolarHBondContact O-N 3.08Å; L209-S213 PolarHBondContact O-OG 2.77Å; L209-S213 VanDerWaalsContact O-OG 3.12Å |
| 210 | A | 92.6 | Very high | 94.4 | Very high | 53 Ų | 53 | 68.3 Ų | 68.3 | 44% | 0.438 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I120 E206 I207 S213 G214 | I120-A210 HydrophobicContact CD1-CB 3.84Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 2.94Å; I207-A210 PolarHBondContact O-N 3.19Å; A210-S213 PolarHBondContact O-N 3.5Å; A210-G214 PolarHBondContact O-N 2.82Å |
| 211 | F | 92.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 9% | 0.092 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.6 | -51.6 | 174.1 | 179.9 | -109.6 | 0 | 0 | 0 | 111.9 | V51 L54 I120 I207 L208 L209 S213 G214 W215 | V51-F211 HydrophobicContact CG1-CE2 4.02Å; V51-F211 HydrophobicContact CG1-CZ 4.21Å; V51-F211 HydrophobicContact CG2-CZ 4.41Å; L54-F211 HydrophobicContact CD2-CE1 4.48Å; L54-F211 HydrophobicContact CD2-CZ 3.98Å; I120-F211 HydrophobicContact CB-CD2 4.29Å; I120-F211 HydrophobicContact CD1-CB 4.03Å; I120-F211 HydrophobicContact CG1-CB 4.01Å; I120-F211 HydrophobicContact CG1-CD2 4.09Å; I120-F211 HydrophobicContact CG2-CB 3.82Å; I120-F211 HydrophobicContact CG2-CD2 3.88Å; I120-F211 HydrophobicContact CG2-CG 4.09Å; I207-F211 PolarHBondContact O-N 3.22Å; I207-F211 VanDerWaalsContact O-N 3.16Å; L208-F211 WeakPolarHBondContact O-CB 3.33Å; L208-F211 PolarHBondContact O-N 3.44Å; L209-F211 VanDerWaalsContact C-N 3.3Å; L209-F211 PolarHBondContact O-N 3.15Å; F211-S213 PolarHBondContact O-N 3.44Å; F211-G214 PolarHBondContact O-N 3.21Å; F211-W215 AromaticContact CD2-NE1 3.94Å; F211-W215 AromaticContact CE1-CD1 3.97Å; F211-W215 AromaticContact CE1-NE1 3.7Å; F211-W215 AromaticContact CE2-NE1 3.3Å; F211-W215 VanDerWaalsContact CE2-NE1 3.3Å; F211-W215 AromaticContact CZ-CD1 3.88Å; F211-W215 AromaticContact CZ-NE1 3.16Å; F211-W215 VanDerWaalsContact O-CD1 3.29Å; F211-W215 PolarHBondContact O-N 3.03Å |
| 212 | I | 93.5 | Very high | 94.4 | Very high | 93 Ų | 93 | 63.2 Ų | 63.2 | 48% | 0.477 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 179.2 | -63.4 | -61.7 | 0 | 0 | 0 | 111.4 | L208 L209 G214 W215 L216 | L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 3.43Å; L208-I212 VanDerWaalsContact O-N 3.1Å; L209-I212 PolarHBondContact O-N 3.04Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.5Å; I212-W215 PolarHBondContact O-N 2.97Å; I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.37Å; I212-L216 WeakPolarHBondContact O-CG 3.16Å; I212-L216 PolarHBondContact O-N 3.24Å |
| 213 | S | 93 | Very high | 94.4 | Very high | 53 Ų | 53 | 63.7 Ų | 63.7 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 174.5 | -64.7 | 0 | 0 | 0 | 0 | 112.6 | L209 A210 F211 W215 L216 V217 | L209-S213 WeakPolarHBondContact O-CB 3.21Å; L209-S213 PolarHBondContact O-N 3.08Å; L209-S213 PolarHBondContact O-OG 2.77Å; L209-S213 VanDerWaalsContact O-OG 3.12Å; A210-S213 PolarHBondContact O-N 3.5Å; F211-S213 PolarHBondContact O-N 3.44Å; S213-W215 PolarHBondContact O-N 2.98Å; S213-L216 PolarHBondContact O-N 3.11Å; S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.04Å |
| 214 | G | 92.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 66.2 Ų | 66.2 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M112 A210 F211 I212 F218 | M112-G214 WeakPolarHBondContact CG-O 3.35Å; A210-G214 PolarHBondContact O-N 2.82Å; F211-G214 PolarHBondContact O-N 3.21Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.5Å; G214-F218 PolarHBondContact O-N 3.5Å; G214-F218 VanDerWaalsContact O-N 3.12Å |
| 215 | W | 93.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 67.2 Ų | 67.2 | 11% | 0.106 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 174.8 | -75.5 | 99.7 | 0 | 0 | 0 | 112.7 | L54 A58 M112 L113 F211 I212 S213 V217 F218 Y219 | L54-W215 HydrophobicContact CD2-CZ2 4.43Å; L54-W215 HydrophobicContact CG-CZ2 4.33Å; A58-W215 HydrophobicContact CB-CH2 3.96Å; M112-W215 HydrophobicContact CE-CD2 3.85Å; M112-W215 HydrophobicContact CE-CE3 3.6Å; M112-W215 HydrophobicContact CE-CH2 3.72Å; M112-W215 HydrophobicContact CE-CZ2 3.94Å; M112-W215 HydrophobicContact CE-CZ3 3.54Å; M112-W215 HydrophobicContact SD-CD2 4.1Å; M112-W215 HydrophobicContact SD-CE3 4.45Å; M112-W215 HydrophobicContact SD-CZ2 4.31Å; L113-W215 HydrophobicContact CD2-CH2 4.49Å; L113-W215 HydrophobicContact CD2-CZ2 4.42Å; F211-W215 AromaticContact CD2-NE1 3.94Å; F211-W215 AromaticContact CE1-CD1 3.97Å; F211-W215 AromaticContact CE1-NE1 3.7Å; F211-W215 AromaticContact CE2-NE1 3.3Å; F211-W215 VanDerWaalsContact CE2-NE1 3.3Å; F211-W215 AromaticContact CZ-CD1 3.88Å; F211-W215 AromaticContact CZ-NE1 3.16Å; F211-W215 VanDerWaalsContact O-CD1 3.29Å; F211-W215 PolarHBondContact O-N 3.03Å; I212-W215 PolarHBondContact O-N 2.97Å; S213-W215 PolarHBondContact O-N 2.98Å; W215-V217 VanDerWaalsContact C-N 3.35Å; W215-V217 PolarHBondContact O-N 3.36Å; W215-F218 HydrophobicContact CE3-CD1 4.32Å; W215-F218 PolarHBondContact O-N 3.09Å; W215-Y219 HydrophobicContact CB-CE2 4.21Å; W215-Y219 HydrophobicContact CE3-CE2 4.2Å; W215-Y219 WeakPolarHBondContact O-CD2 3.12Å; W215-Y219 PolarHBondContact O-N 3.3Å |
| 216 | L | 95.3 | Very high | 94.1 | Very high | 109 Ų | 109 | 66 Ų | 66 | 57% | 0.571 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.2 | -38.2 | 178.5 | -69.7 | 173.1 | 0 | 0 | 0 | 112.4 | I212 S213 Y219 H220 | I212-L216 HydrophobicContact CG2-CD1 3.98Å; I212-L216 HydrophobicContact CG2-CG 4.37Å; I212-L216 WeakPolarHBondContact O-CG 3.16Å; I212-L216 PolarHBondContact O-N 3.24Å; S213-L216 PolarHBondContact O-N 3.11Å; L216-Y219 PolarHBondContact O-N 3.05Å; L216-H220 PolarHBondContact O-N 3.41Å |
| 217 | V | 94.5 | Very high | 94.1 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | S213 W215 Y219 H220 T221 | S213-V217 WeakPolarHBondContact O-CG2 3.5Å; S213-V217 PolarHBondContact O-N 3.04Å; W215-V217 VanDerWaalsContact C-N 3.35Å; W215-V217 PolarHBondContact O-N 3.36Å; V217-Y219 PolarHBondContact O-N 2.94Å; V217-H220 PolarHBondContact O-N 3.37Å; V217-T221 PolarHBondContact O-N 3.46Å; V217-T221 PolarHBondContact O-OG1 3.1Å; V217-T221 VanDerWaalsContact O-OG1 3.08Å |
| 218 | F | 95.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 174.7 | 164.6 | -104.4 | 0 | 0 | 0 | 112.4 | I105 E108 R109 M112 G214 W215 H220 T221 A222 | I105-F218 HydrophobicContact CG2-CE2 4.34Å; I105-F218 HydrophobicContact CG2-CZ 4.46Å; E108-F218 HydrophobicContact CB-CD2 4.43Å; R109-F218 HydrophobicContact CB-CD2 4.11Å; R109-F218 HydrophobicContact CB-CE2 3.53Å; R109-F218 HydrophobicContact CB-CZ 3.98Å; R109-F218 HydrophobicContact CG-CD2 4.38Å; R109-F218 HydrophobicContact CG-CE1 4.4Å; R109-F218 HydrophobicContact CG-CE2 3.88Å; R109-F218 HydrophobicContact CG-CZ 3.89Å; M112-F218 HydrophobicContact CB-CB 4.32Å; M112-F218 HydrophobicContact CE-CB 4.43Å; M112-F218 HydrophobicContact CE-CD1 4.4Å; M112-F218 HydrophobicContact CE-CG 4.3Å; M112-F218 HydrophobicContact CG-CB 4.11Å; G214-F218 PolarHBondContact O-N 3.5Å; G214-F218 VanDerWaalsContact O-N 3.12Å; W215-F218 HydrophobicContact CE3-CD1 4.32Å; W215-F218 PolarHBondContact O-N 3.09Å; F218-H220 PolarHBondContact O-N 2.96Å; F218-T221 PolarHBondContact O-N 3.25Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.9Å |
| 219 | Y | 96.2 | Very high | 94.1 | Very high | 136 Ų | 136 | 68.3 Ų | 68.3 | 53% | 0.533 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 178.2 | -70.1 | -57 | 0 | 0 | 0 | 112.8 | W215 L216 V217 H223 | W215-Y219 HydrophobicContact CB-CE2 4.21Å; W215-Y219 HydrophobicContact CE3-CE2 4.2Å; W215-Y219 WeakPolarHBondContact O-CD2 3.12Å; W215-Y219 PolarHBondContact O-N 3.3Å; L216-Y219 PolarHBondContact O-N 3.05Å; V217-Y219 PolarHBondContact O-N 2.94Å; Y219-H223 PolarHBondContact O-N 3.33Å |
| 220 | H | 96.3 | Very high | 94.2 | Very high | 114 Ų | 114 | 70.1 Ų | 70.1 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 174.2 | -172.3 | -76.6 | 0 | 0 | 0 | 111.6 | L216 V217 F218 A222 H223 E224 | L216-H220 PolarHBondContact O-N 3.41Å; V217-H220 PolarHBondContact O-N 3.37Å; F218-H220 PolarHBondContact O-N 2.96Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 3.2Å; H220-H223 WeakPolarHBondContact O-CB 3.29Å; H220-H223 PolarHBondContact O-N 3.14Å; H220-H223 VanDerWaalsContact O-N 3.09Å; H220-E224 IonicContact CE1-OE1 2.77Å; H220-E224 PolarHBondContact CE1-OE1 2.93Å; H220-E224 IonicContact CE1-OE2 3.82Å; H220-E224 PolarHBondContact CE1-OE2 2.79Å; H220-E224 VanDerWaalsContact CE1-OE2 3.3Å; H220-E224 VanDerWaalsContact ND1-CD 3.29Å; H220-E224 IonicContact ND1-OE1 2.77Å; H220-E224 IonicContact ND1-OE2 3.68Å; H220-E224 PolarHBondContact ND1-OE2 2.86Å; H220-E224 PolarHBondContact O-N 2.61Å |
| 221 | T | 93.8 | Very high | 94.3 | Very high | 38 Ų | 38 | 72.5 Ų | 72.5 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | -178.6 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | E108 V217 F218 H223 E224 Q225 | E108-T221 HydrophobicContact CG-CG2 3.97Å; V217-T221 PolarHBondContact O-N 3.46Å; V217-T221 PolarHBondContact O-OG1 3.1Å; V217-T221 VanDerWaalsContact O-OG1 3.08Å; F218-T221 PolarHBondContact O-N 3.25Å; T221-H223 VanDerWaalsContact C-N 3.34Å; T221-H223 PolarHBondContact O-N 3Å; T221-E224 PolarHBondContact O-N 3.43Å; T221-Q225 WeakPolarHBondContact O-CG 3.25Å; T221-Q225 PolarHBondContact O-N 3.44Å |
| 222 | A | 95.1 | Very high | 94.4 | Very high | 21 Ų | 21 | 74 Ų | 74 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I105 F218 H220 A226 | I105-A222 HydrophobicContact CG2-CB 4.13Å; F218-A222 WeakPolarHBondContact O-CB 3.38Å; F218-A222 PolarHBondContact O-N 2.9Å; H220-A222 VanDerWaalsContact C-N 3.33Å; H220-A222 PolarHBondContact O-N 3.2Å; A222-A226 PolarHBondContact O-N 2.88Å; A222-A226 VanDerWaalsContact O-N 3.11Å |
| 223 | H | 96 | Very high | 94.5 | Very high | 113 Ų | 113 | 73.3 Ų | 73.3 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 173.4 | -177.2 | 9.6 | 0 | 0 | 0 | 112.2 | Y219 H220 T221 Q225 A226 E227 | Y219-H223 PolarHBondContact O-N 3.33Å; H220-H223 WeakPolarHBondContact O-CB 3.29Å; H220-H223 PolarHBondContact O-N 3.14Å; H220-H223 VanDerWaalsContact O-N 3.09Å; T221-H223 VanDerWaalsContact C-N 3.34Å; T221-H223 PolarHBondContact O-N 3Å; H223-Q225 PolarHBondContact O-N 2.6Å; H223-A226 WeakPolarHBondContact O-CB 3.42Å; H223-A226 PolarHBondContact O-N 2.85Å; H223-A226 VanDerWaalsContact O-N 3.09Å; H223-E227 IonicContact CE1-OE1 3.39Å; H223-E227 PolarHBondContact O-N 3.11Å |
| 224 | E | 95 | Very high | 94.6 | Very high | 96 Ų | 96 | 75 Ų | 75 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.6 | -72.5 | 176.7 | 119.9 | 0 | 0 | 111.4 | H220 T221 A226 E227 D228 | H220-E224 IonicContact CE1-OE1 2.77Å; H220-E224 PolarHBondContact CE1-OE1 2.93Å; H220-E224 IonicContact CE1-OE2 3.82Å; H220-E224 PolarHBondContact CE1-OE2 2.79Å; H220-E224 VanDerWaalsContact CE1-OE2 3.3Å; H220-E224 VanDerWaalsContact ND1-CD 3.29Å; H220-E224 IonicContact ND1-OE1 2.77Å; H220-E224 IonicContact ND1-OE2 3.68Å; H220-E224 PolarHBondContact ND1-OE2 2.86Å; H220-E224 PolarHBondContact O-N 2.61Å; T221-E224 PolarHBondContact O-N 3.43Å; E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.79Å; E224-E227 PolarHBondContact O-N 3.06Å; E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.05Å |
| 225 | Q | 92.1 | Very high | 94.7 | Very high | 45 Ų | 45 | 75.9 Ų | 75.9 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -38.4 | 171.9 | -68.1 | -62.6 | -86.6 | 0 | 0 | 112.5 | N104 I105 T221 H223 H229 | N104-Q225 PolarHBondContact ND2-OE1 2.79Å; I105-Q225 HydrophobicContact CD1-CB 4.35Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.26Å; T221-Q225 WeakPolarHBondContact O-CG 3.25Å; T221-Q225 PolarHBondContact O-N 3.44Å; H223-Q225 PolarHBondContact O-N 2.6Å; Q225-H229 PolarHBondContact O-CD2 3.39Å; Q225-H229 PolarHBondContact O-N 2.79Å |
| 226 | A | 91.7 | Very high | 94.9 | Very high | 48 Ų | 48 | 75 Ų | 75 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A222 H223 E224 H229 R230 | A222-A226 PolarHBondContact O-N 2.88Å; A222-A226 VanDerWaalsContact O-N 3.11Å; H223-A226 WeakPolarHBondContact O-CB 3.42Å; H223-A226 PolarHBondContact O-N 2.85Å; H223-A226 VanDerWaalsContact O-N 3.09Å; E224-A226 VanDerWaalsContact C-N 3.31Å; E224-A226 PolarHBondContact O-N 2.79Å; A226-H229 PolarHBondContact O-N 2.77Å; A226-R230 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-N 3.15Å |
| 227 | E | 94.9 | Very high | 94.9 | Very high | 83 Ų | 83 | 78.1 Ų | 78.1 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.3 | -40.2 | 177 | -72.3 | -63.2 | 128.4 | 0 | 0 | 112.4 | H223 E224 H229 R230 | H223-E227 IonicContact CE1-OE1 3.39Å; H223-E227 PolarHBondContact O-N 3.11Å; E224-E227 PolarHBondContact O-N 3.06Å; E227-H229 PolarHBondContact O-N 2.76Å; E227-H229 VanDerWaalsContact O-N 3.12Å; E227-R230 VanDerWaalsContact O-CB 3.24Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE1-NH1 3.31Å; E227-R230 PolarHBondContact OE1-NH1 2.89Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; E227-R230 IonicContact OE2-CZ 2.67Å; E227-R230 IonicContact OE2-NE 3.53Å; E227-R230 IonicContact OE2-NH1 2.78Å; E227-R230 PolarHBondContact OE2-NH1 2.91Å |
| 228 | D | 94.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 79.3 Ų | 79.3 | 53% | 0.529 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.3 | -19.3 | 176.1 | -84.2 | -11.8 | 0 | 0 | 0 | 113 | E224 | E224-D228 WeakPolarHBondContact O-CB 3.49Å; E224-D228 PolarHBondContact O-N 3.05Å |
| 229 | H | 94.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 80.7 Ų | 80.7 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -2 | 175.7 | -66.8 | -51.1 | 0 | 0 | 0 | 114.9 | I101 Q225 A226 E227 D231 Y232 L233 | I101-H229 HydrophobicContact CD1-CB 3.96Å; Q225-H229 PolarHBondContact O-CD2 3.39Å; Q225-H229 PolarHBondContact O-N 2.79Å; A226-H229 PolarHBondContact O-N 2.77Å; E227-H229 PolarHBondContact O-N 2.76Å; E227-H229 VanDerWaalsContact O-N 3.12Å; H229-D231 PolarHBondContact O-N 3.1Å; H229-Y232 PolarHBondContact O-N 2.95Å; H229-L233 WeakPolarHBondContact O-CG 3.17Å; H229-L233 PolarHBondContact O-N 2.83Å |
| 230 | R | 95.1 | Very high | 94.7 | Very high | 145 Ų | 145 | 77.1 Ų | 77.1 | 55% | 0.547 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | -176.1 | -179.9 | 174.6 | 173.3 | 171.5 | -0 | 113.6 | A226 E227 Y232 L233 Q234 | A226-R230 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-N 3.15Å; E227-R230 VanDerWaalsContact O-CB 3.24Å; E227-R230 WeakPolarHBondContact O-CB 3.25Å; E227-R230 PolarHBondContact O-N 3Å; E227-R230 VanDerWaalsContact O-N 3.08Å; E227-R230 IonicContact OE1-NH1 3.31Å; E227-R230 PolarHBondContact OE1-NH1 2.89Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; E227-R230 IonicContact OE2-CZ 2.67Å; E227-R230 IonicContact OE2-NE 3.53Å; E227-R230 IonicContact OE2-NH1 2.78Å; E227-R230 PolarHBondContact OE2-NH1 2.91Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.49Å; R230-L233 PolarHBondContact O-N 3.34Å; R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.3Å |
| 231 | D | 94.6 | Very high | 94.5 | Very high | 104 Ų | 104 | 75.2 Ų | 75.2 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.3 | -37.4 | 179.4 | -75 | -19.7 | 0 | 0 | 0 | 112.1 | H229 Q234 D235 | H229-D231 PolarHBondContact O-N 3.1Å; D231-Q234 PolarHBondContact O-N 3.26Å; D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.03Å |
| 232 | Y | 96.1 | Very high | 94.2 | Very high | 53 Ų | 53 | 75.9 Ų | 75.9 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.1 | 167.4 | -103.6 | 0 | 0 | 0 | 111.8 | S94 R97 F98 H229 R230 Q234 D235 L236 | S94-Y232 WeakPolarHBondContact CA-OH 3.36Å; S94-Y232 WeakPolarHBondContact CB-OH 3.49Å; R97-Y232 HydrophobicContact CB-CE1 3.77Å; R97-Y232 HydrophobicContact CG-CE1 4.27Å; R97-Y232 HydrophobicContact CG-CE2 4.44Å; R97-Y232 WeakPolarHBondContact CG-OH 3.42Å; F98-Y232 HydrophobicContact CE1-CE1 4.33Å; H229-Y232 PolarHBondContact O-N 2.95Å; R230-Y232 VanDerWaalsContact C-N 3.33Å; R230-Y232 PolarHBondContact O-N 3.49Å; Y232-Q234 VanDerWaalsContact C-N 3.26Å; Y232-Q234 PolarHBondContact O-N 3.07Å; Y232-D235 PolarHBondContact O-N 3.16Å; Y232-L236 HydrophobicContact CE1-CD2 4.36Å; Y232-L236 VanDerWaalsContact O-CB 3.29Å; Y232-L236 WeakPolarHBondContact O-CB 3.5Å; Y232-L236 PolarHBondContact O-N 3.18Å |
| 233 | L | 95.5 | Very high | 93.9 | Very high | 77 Ų | 77 | 76.3 Ų | 76.3 | 40% | 0.403 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 176.9 | -66.9 | 173.7 | 0 | 0 | 0 | 111.7 | F98 H229 R230 R237 | F98-L233 HydrophobicContact CD1-CD2 4.32Å; F98-L233 HydrophobicContact CE1-CD2 3.73Å; H229-L233 WeakPolarHBondContact O-CG 3.17Å; H229-L233 PolarHBondContact O-N 2.83Å; R230-L233 PolarHBondContact O-N 3.34Å; L233-R237 PolarHBondContact O-N 3.46Å; L233-R237 VanDerWaalsContact O-N 3.08Å |
| 234 | Q | 95.5 | Very high | 93.7 | Very high | 90 Ų | 90 | 77.5 Ų | 77.5 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.7 | -40.1 | 177.8 | -171.8 | 66.3 | -13 | 0 | 0 | 112.6 | R230 D231 Y232 R237 H238 | R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.3Å; D231-Q234 PolarHBondContact O-N 3.26Å; Y232-Q234 VanDerWaalsContact C-N 3.26Å; Y232-Q234 PolarHBondContact O-N 3.07Å; Q234-R237 WeakPolarHBondContact O-CB 3.42Å; Q234-R237 PolarHBondContact O-N 3.07Å; Q234-R237 VanDerWaalsContact OE1-NE 3.15Å; Q234-H238 PolarHBondContact O-N 3.35Å; Q234-H238 PolarHBondContact O-ND1 3.4Å |
| 235 | D | 94.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 77.3 Ų | 77.3 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -48 | 170.9 | 169.6 | 64.9 | 0 | 0 | 0 | 111.3 | D231 Y232 R237 H238 K239 | D231-D235 WeakPolarHBondContact O-CB 3.49Å; D231-D235 PolarHBondContact O-N 3.03Å; Y232-D235 PolarHBondContact O-N 3.16Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.3Å; D235-H238 PolarHBondContact O-N 2.87Å; D235-H238 VanDerWaalsContact O-N 3.09Å; D235-K239 VanDerWaalsContact CG-NZ 3.32Å; D235-K239 WeakPolarHBondContact O-CG 3.11Å; D235-K239 PolarHBondContact O-N 3.43Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 3.35Å; D235-K239 PolarHBondContact OD1-NZ 3.09Å; D235-K239 WeakPolarHBondContact OD2-CE 3.48Å; D235-K239 IonicContact OD2-NZ 3.72Å; D235-K239 PolarHBondContact OD2-NZ 3.49Å |
| 236 | L | 96.7 | Very high | 93 | Very high | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 176.8 | -178.9 | 65.3 | 0 | 0 | 0 | 112.3 | V90 I91 F98 Y232 H238 K239 V240 | V90-L236 HydrophobicContact CG1-CD1 4.31Å; I91-L236 HydrophobicContact CG1-CD1 3.94Å; F98-L236 HydrophobicContact CE1-CD2 3.66Å; F98-L236 HydrophobicContact CZ-CD2 3.46Å; F98-L236 VanDerWaalsContact CZ-CD2 3.46Å; Y232-L236 HydrophobicContact CE1-CD2 4.36Å; Y232-L236 VanDerWaalsContact O-CB 3.29Å; Y232-L236 WeakPolarHBondContact O-CB 3.5Å; Y232-L236 PolarHBondContact O-N 3.18Å; L236-H238 VanDerWaalsContact C-N 3.3Å; L236-H238 PolarHBondContact O-N 3.01Å; L236-K239 PolarHBondContact O-N 3.25Å; L236-K239 VanDerWaalsContact O-N 3.15Å; L236-V240 HydrophobicContact CD1-CG2 4.33Å; L236-V240 HydrophobicContact CG-CG2 4.44Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.97Å |
| 237 | R | 95.6 | Very high | 92.9 | Very high | 175 Ų | 175 | 79.8 Ų | 79.8 | 66% | 0.66 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -55.5 | -44.4 | 174.6 | -174.8 | -166.8 | -65 | -96 | -2.2 | 111.7 | L233 Q234 D235 Q241 | L233-R237 PolarHBondContact O-N 3.46Å; L233-R237 VanDerWaalsContact O-N 3.08Å; Q234-R237 WeakPolarHBondContact O-CB 3.42Å; Q234-R237 PolarHBondContact O-N 3.07Å; Q234-R237 VanDerWaalsContact OE1-NE 3.15Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.3Å; R237-Q241 PolarHBondContact O-N 3Å |
| 238 | H | 92.3 | Very high | 92.7 | Very high | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.528 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.2 | -67.4 | 91.7 | 0 | 0 | 0 | 111.7 | Q234 D235 L236 Q241 K242 | Q234-H238 PolarHBondContact O-N 3.35Å; Q234-H238 PolarHBondContact O-ND1 3.4Å; D235-H238 PolarHBondContact O-N 2.87Å; D235-H238 VanDerWaalsContact O-N 3.09Å; L236-H238 VanDerWaalsContact C-N 3.3Å; L236-H238 PolarHBondContact O-N 3.01Å; H238-Q241 PolarHBondContact O-N 3.37Å; H238-K242 VanDerWaalsContact O-CB 3.31Å; H238-K242 WeakPolarHBondContact O-CB 3.45Å; H238-K242 PolarHBondContact O-N 2.93Å |
| 239 | K | 94.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 76.9 Ų | 76.9 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 178 | -70.5 | 177.2 | 172.2 | 161.5 | 0 | 112.8 | D87 V90 I91 D235 L236 K242 T243 | D87-K239 HydrophobicContact CB-CB 4.17Å; D87-K239 HydrophobicContact CB-CD 4.41Å; D87-K239 HydrophobicContact CB-CG 4.13Å; D87-K239 WeakPolarHBondContact OD1-CE 3.3Å; D87-K239 WeakPolarHBondContact OD1-CG 3.43Å; V90-K239 HydrophobicContact CB-CD 4.23Å; V90-K239 HydrophobicContact CG1-CD 3.88Å; I91-K239 HydrophobicContact CD1-CB 4.39Å; I91-K239 HydrophobicContact CG1-CB 4.46Å; D235-K239 VanDerWaalsContact CG-NZ 3.32Å; D235-K239 WeakPolarHBondContact O-CG 3.11Å; D235-K239 PolarHBondContact O-N 3.43Å; D235-K239 WeakPolarHBondContact OD1-CE 3.46Å; D235-K239 IonicContact OD1-NZ 3.35Å; D235-K239 PolarHBondContact OD1-NZ 3.09Å; D235-K239 WeakPolarHBondContact OD2-CE 3.48Å; D235-K239 IonicContact OD2-NZ 3.72Å; D235-K239 PolarHBondContact OD2-NZ 3.49Å; L236-K239 PolarHBondContact O-N 3.25Å; L236-K239 VanDerWaalsContact O-N 3.15Å; K239-K242 PolarHBondContact O-N 2.98Å; K239-T243 WeakPolarHBondContact O-CB 3.39Å; K239-T243 PolarHBondContact O-N 2.63Å; K239-T243 PolarHBondContact O-OG1 3.37Å |
| 240 | V | 95.1 | Very high | 91.8 | Very high | 60 Ų | 60 | 75.4 Ų | 75.4 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I91 L236 T243 R244 | I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; L236-V240 HydrophobicContact CD1-CG2 4.33Å; L236-V240 HydrophobicContact CG-CG2 4.44Å; L236-V240 WeakPolarHBondContact O-CG2 3.27Å; L236-V240 PolarHBondContact O-N 2.97Å; V240-T243 PolarHBondContact O-N 2.9Å; V240-R244 PolarHBondContact O-N 3.14Å |
| 241 | Q | 91.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 75 Ų | 75 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.2 | 178.7 | 57.2 | 25.1 | 0 | 0 | 112.4 | R237 H238 T243 R244 E245 | R237-Q241 PolarHBondContact O-N 3Å; H238-Q241 PolarHBondContact O-N 3.37Å; Q241-T243 VanDerWaalsContact C-N 3.29Å; Q241-T243 PolarHBondContact O-N 3.32Å; Q241-R244 WeakPolarHBondContact O-CB 3.36Å; Q241-R244 PolarHBondContact O-N 3.2Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.33Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.18Å |
| 242 | K | 88 | Confident | 91.4 | Very high | 52 Ų | 52 | 76.4 Ų | 76.4 | 23% | 0.226 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.4 | -40.9 | 174.4 | -170.5 | -169.3 | -173.2 | -173.2 | 0 | 112.2 | D87 H238 K239 E245 N246 F538 | D87-K242 IonicContact OD1-NZ 3.88Å; D87-K242 PolarHBondContact OD1-NZ 2.95Å; D87-K242 WeakPolarHBondContact OD2-CE 3Å; D87-K242 IonicContact OD2-NZ 2.77Å; D87-K242 PolarHBondContact OD2-NZ 3.49Å; H238-K242 VanDerWaalsContact O-CB 3.31Å; H238-K242 WeakPolarHBondContact O-CB 3.45Å; H238-K242 PolarHBondContact O-N 2.93Å; K239-K242 PolarHBondContact O-N 2.98Å; K242-E245 PolarHBondContact O-N 3.16Å; K242-N246 PolarHBondContact O-N 3.49Å; K242-N246 VanDerWaalsContact O-N 3.08Å; K242-N246 PolarHBondContact O-ND2 2.84Å; K242-F538 HydrophobicContact CD-CE2 4.24Å; K242-F538 HydrophobicContact CD-CZ 4.25Å; K242-F538 VanDerWaalsContact CE-CD2 3.41Å; K242-F538 HydrophobicContact CG-CE1 3.8Å; K242-F538 HydrophobicContact CG-CE2 3.9Å; K242-F538 HydrophobicContact CG-CZ 3.45Å; K242-F538 VanDerWaalsContact CG-CZ 3.45Å |
| 243 | T | 89.8 | Confident | 90.9 | Very high | 31 Ų | 31 | 75.8 Ų | 75.8 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.1 | -37.1 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | E88 I91 K239 V240 Q241 N246 F247 | E88-T243 HydrophobicContact CG-CG2 3.97Å; I91-T243 HydrophobicContact CD1-CG2 4.27Å; I91-T243 VanDerWaalsContact CD1-OG1 3.26Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.28Å; K239-T243 WeakPolarHBondContact O-CB 3.39Å; K239-T243 PolarHBondContact O-N 2.63Å; K239-T243 PolarHBondContact O-OG1 3.37Å; V240-T243 PolarHBondContact O-N 2.9Å; Q241-T243 VanDerWaalsContact C-N 3.29Å; Q241-T243 PolarHBondContact O-N 3.32Å; T243-N246 PolarHBondContact O-N 3.18Å; T243-F247 WeakPolarHBondContact O-CB 3.21Å; T243-F247 PolarHBondContact O-N 2.93Å |
| 244 | R | 91.5 | Very high | 90.5 | Very high | 138 Ų | 138 | 74.5 Ų | 74.5 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 170.7 | 178.9 | -174.1 | -70.4 | 141 | -7.3 | 111.8 | V240 Q241 F247 E248 | V240-R244 PolarHBondContact O-N 3.14Å; Q241-R244 WeakPolarHBondContact O-CB 3.36Å; Q241-R244 PolarHBondContact O-N 3.2Å; R244-F247 WeakPolarHBondContact O-CB 3.29Å; R244-F247 PolarHBondContact O-N 2.86Å; R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 3.05Å |
| 245 | E | 87 | Confident | 90.3 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 177.4 | -72.7 | 167.8 | -163.9 | 0 | 0 | 112.1 | Q241 K242 F247 E248 E249 | Q241-E245 WeakPolarHBondContact CG-OE1 3.33Å; Q241-E245 PolarHBondContact NE2-OE1 3Å; Q241-E245 WeakPolarHBondContact O-CG 3.42Å; Q241-E245 PolarHBondContact O-N 3.18Å; K242-E245 PolarHBondContact O-N 3.16Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.93Å; E245-E248 PolarHBondContact O-N 2.84Å; E245-E249 PolarHBondContact O-N 2.63Å; E245-E249 VanDerWaalsContact O-N 3.15Å |
| 246 | N | 85.7 | Confident | 89.9 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 172.9 | -69.2 | -30.4 | 0 | 0 | 0 | 112.4 | K242 T243 A250 | K242-N246 PolarHBondContact O-N 3.49Å; K242-N246 VanDerWaalsContact O-N 3.08Å; K242-N246 PolarHBondContact O-ND2 2.84Å; T243-N246 PolarHBondContact O-N 3.18Å; N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.01Å; N246-A250 VanDerWaalsContact O-N 3.13Å |
| 247 | F | 89.3 | Confident | 89.4 | Confident | 118 Ų | 118 | 76.6 Ų | 76.6 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.8 | 167.3 | -97 | 0 | 0 | 0 | 112.2 | T243 R244 E245 A250 R251 | T243-F247 WeakPolarHBondContact O-CB 3.21Å; T243-F247 PolarHBondContact O-N 2.93Å; R244-F247 WeakPolarHBondContact O-CB 3.29Å; R244-F247 PolarHBondContact O-N 2.86Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 2.93Å; F247-A250 CarbonylContact O-C 3.57Å; F247-A250 PolarHBondContact O-N 2.84Å; F247-R251 HydrophobicContact CE1-CB 4.45Å; F247-R251 HydrophobicContact CZ-CB 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.42Å; F247-R251 PolarHBondContact O-N 2.84Å |
| 248 | E | 89.6 | Confident | 88.9 | Confident | 74 Ų | 74 | 74.6 Ų | 74.6 | 35% | 0.346 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 179.1 | -74.1 | -58.8 | 151.8 | 0 | 0 | 112.2 | R244 E245 A250 R251 E252 | R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 3.05Å; E245-E248 PolarHBondContact O-N 2.84Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 2.88Å; E248-R251 VanDerWaalsContact CD-NH2 3.35Å; E248-R251 WeakPolarHBondContact O-CB 3.48Å; E248-R251 PolarHBondContact O-N 2.89Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 2.69Å; E248-R251 IonicContact OE1-NE 3.03Å; E248-R251 PolarHBondContact OE1-NE 2.87Å; E248-R251 IonicContact OE1-NH2 3.71Å; E248-R251 PolarHBondContact OE1-NH2 2.74Å; E248-R251 IonicContact OE2-CZ 3.83Å; E248-R251 IonicContact OE2-NE 2.75Å; E248-R251 PolarHBondContact OE2-NE 2.99Å; E248-R251 IonicContact OE2-NH2 3.52Å; E248-R251 PolarHBondContact OE2-NH2 2.98Å; E248-E252 PolarHBondContact O-N 2.97Å |
| 249 | E | 84.3 | Confident | 88.6 | Confident | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.22 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 174 | -160.8 | -164.1 | -172.7 | 0 | 0 | 111.8 | E245 K253 | E245-E249 PolarHBondContact O-N 2.63Å; E245-E249 VanDerWaalsContact O-N 3.15Å; E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CD 3.23Å; E249-K253 VanDerWaalsContact O-CG 3.31Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 2.88Å; E249-K253 IonicContact OE2-NZ 2.61Å; E249-K253 PolarHBondContact OE2-NZ 2.57Å |
| 250 | A | 86 | Confident | 88 | Confident | 19 Ų | 19 | 73.3 Ų | 73.3 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N246 F247 E248 K253 V254 I559 | N246-A250 WeakPolarHBondContact O-CB 3.41Å; N246-A250 PolarHBondContact O-N 3.01Å; N246-A250 VanDerWaalsContact O-N 3.13Å; F247-A250 CarbonylContact O-C 3.57Å; F247-A250 PolarHBondContact O-N 2.84Å; E248-A250 VanDerWaalsContact C-N 3.3Å; E248-A250 PolarHBondContact O-N 2.88Å; A250-K253 PolarHBondContact O-N 2.84Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.3Å; A250-V254 WeakPolarHBondContact O-CG2 3.13Å; A250-V254 PolarHBondContact O-N 3.36Å; A250-I559 HydrophobicContact CB-CG2 3.98Å |
| 251 | R | 91.1 | Very high | 87.1 | Confident | 138 Ų | 138 | 75.6 Ų | 75.6 | 52% | 0.521 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 178 | -175.2 | 172 | 75.5 | 132.1 | -2.1 | 111.6 | F247 E248 T255 | F247-R251 HydrophobicContact CE1-CB 4.45Å; F247-R251 HydrophobicContact CZ-CB 4.45Å; F247-R251 WeakPolarHBondContact O-CB 3.42Å; F247-R251 PolarHBondContact O-N 2.84Å; E248-R251 VanDerWaalsContact CD-NH2 3.35Å; E248-R251 WeakPolarHBondContact O-CB 3.48Å; E248-R251 PolarHBondContact O-N 2.89Å; E248-R251 VanDerWaalsContact O-N 3.16Å; E248-R251 IonicContact OE1-CZ 2.69Å; E248-R251 IonicContact OE1-NE 3.03Å; E248-R251 PolarHBondContact OE1-NE 2.87Å; E248-R251 IonicContact OE1-NH2 3.71Å; E248-R251 PolarHBondContact OE1-NH2 2.74Å; E248-R251 IonicContact OE2-CZ 3.83Å; E248-R251 IonicContact OE2-NE 2.75Å; E248-R251 PolarHBondContact OE2-NE 2.99Å; E248-R251 IonicContact OE2-NH2 3.52Å; E248-R251 PolarHBondContact OE2-NH2 2.98Å; R251-T255 WeakPolarHBondContact O-CB 3.46Å; R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.15Å |
| 252 | E | 89.9 | Confident | 86.5 | Confident | 132 Ų | 132 | 78.5 Ų | 78.5 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.4 | -52.6 | 173.5 | -174.5 | 173 | -144 | 0 | 0 | 110.8 | E248 V254 T255 E256 | E248-E252 PolarHBondContact O-N 2.97Å; E252-V254 PolarHBondContact O-N 2.96Å; E252-T255 CarbonylContact O-C 3.5Å; E252-T255 WeakPolarHBondContact O-CA 3.21Å; E252-T255 WeakPolarHBondContact O-CB 3.49Å; E252-T255 PolarHBondContact O-N 2.84Å; E252-E256 PolarHBondContact O-N 2.76Å |
| 253 | K | 85.4 | Confident | 85.9 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | -179.6 | -69.9 | 169.8 | -172.8 | 168.6 | 0 | 113.6 | E249 A250 T255 E256 L257 I559 I562 | E249-K253 HydrophobicContact CG-CD 4.46Å; E249-K253 WeakPolarHBondContact O-CD 3.23Å; E249-K253 VanDerWaalsContact O-CG 3.31Å; E249-K253 WeakPolarHBondContact O-CG 3.32Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 WeakPolarHBondContact OE1-CE 3.49Å; E249-K253 IonicContact OE1-NZ 3.53Å; E249-K253 PolarHBondContact OE1-NZ 2.88Å; E249-K253 IonicContact OE2-NZ 2.61Å; E249-K253 PolarHBondContact OE2-NZ 2.57Å; A250-K253 PolarHBondContact O-N 2.84Å; K253-T255 VanDerWaalsContact C-N 3.28Å; K253-T255 PolarHBondContact O-N 3.37Å; K253-E256 PolarHBondContact O-N 3.11Å; K253-L257 VanDerWaalsContact O-CB 3.31Å; K253-L257 WeakPolarHBondContact O-CB 3.32Å; K253-L257 PolarHBondContact O-N 3.35Å; K253-I559 HydrophobicContact CB-CD1 4.05Å; K253-I559 HydrophobicContact CB-CG1 4.16Å; K253-I559 HydrophobicContact CB-CG2 3.81Å; K253-I559 HydrophobicContact CD-CG2 4.44Å; K253-I562 HydrophobicContact CD-CD1 3.59Å |
| 254 | V | 88.4 | Confident | 84.6 | Confident | 51 Ų | 51 | 87.8 Ų | 87.8 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.5 | -32.9 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | A250 E252 L257 K258 V556 I559 | A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.3Å; A250-V254 WeakPolarHBondContact O-CG2 3.13Å; A250-V254 PolarHBondContact O-N 3.36Å; E252-V254 PolarHBondContact O-N 2.96Å; V254-L257 PolarHBondContact O-N 2.95Å; V254-K258 WeakPolarHBondContact O-CB 3.02Å; V254-K258 PolarHBondContact O-N 3.5Å; V254-V556 HydrophobicContact CG2-CG1 4.25Å; V254-V556 HydrophobicContact CG2-CG2 4.46Å; V254-I559 HydrophobicContact CG2-CB 4.41Å; V254-I559 HydrophobicContact CG2-CD1 3.96Å; V254-I559 HydrophobicContact CG2-CG2 4.02Å |
| 255 | T | 90.1 | Very high | 83.1 | Confident | 73 Ų | 73 | 92 Ų | 92 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72 | -42.5 | 176.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | R251 E252 K253 L257 K258 T259 | R251-T255 WeakPolarHBondContact O-CB 3.46Å; R251-T255 PolarHBondContact O-N 2.91Å; R251-T255 PolarHBondContact O-OG1 3.15Å; E252-T255 CarbonylContact O-C 3.5Å; E252-T255 WeakPolarHBondContact O-CA 3.21Å; E252-T255 WeakPolarHBondContact O-CB 3.49Å; E252-T255 PolarHBondContact O-N 2.84Å; K253-T255 VanDerWaalsContact C-N 3.28Å; K253-T255 PolarHBondContact O-N 3.37Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.73Å; T255-K258 PolarHBondContact O-N 3.34Å; T255-T259 PolarHBondContact O-N 3.14Å; T255-T259 VanDerWaalsContact O-N 3.07Å; T255-T259 PolarHBondContact O-OG1 2.86Å; T255-T259 VanDerWaalsContact O-OG1 3.07Å |
| 256 | E | 86.9 | Confident | 81.3 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 48% | 0.481 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 168.8 | -70.3 | -163.5 | 159.8 | 0 | 0 | 111.5 | E252 K253 K258 T259 K260 | E252-E256 PolarHBondContact O-N 2.76Å; K253-E256 PolarHBondContact O-N 3.11Å; E256-K258 VanDerWaalsContact C-N 3.35Å; E256-K258 PolarHBondContact O-N 3.45Å; E256-T259 WeakPolarHBondContact O-CB 3.47Å; E256-T259 PolarHBondContact O-N 2.99Å; E256-T259 VanDerWaalsContact O-N 3.14Å; E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.47Å; E256-K260 IonicContact OE2-NZ 3.15Å |
| 257 | L | 85.5 | Confident | 79.8 | Confident | 12 Ų | 12 | 95.9 Ų | 95.9 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.8 | -44.5 | -178.4 | -172.2 | 60.4 | 0 | 0 | 0 | 111.6 | K253 V254 T255 T259 K260 Y261 E554 V556 I559 | K253-L257 VanDerWaalsContact O-CB 3.31Å; K253-L257 WeakPolarHBondContact O-CB 3.32Å; K253-L257 PolarHBondContact O-N 3.35Å; V254-L257 PolarHBondContact O-N 2.95Å; T255-L257 VanDerWaalsContact C-N 3.34Å; T255-L257 PolarHBondContact O-N 2.73Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.39Å; L257-K260 PolarHBondContact O-N 2.74Å; L257-Y261 HydrophobicContact CD1-CD2 3.82Å; L257-Y261 HydrophobicContact CD1-CE2 3.59Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 4.12Å; L257-Y261 WeakPolarHBondContact O-CD2 3.21Å; L257-Y261 PolarHBondContact O-N 3.21Å; L257-E554 HydrophobicContact CD1-CB 3.62Å; L257-V556 HydrophobicContact CD2-CG2 4.33Å; L257-I559 HydrophobicContact CB-CD1 4.22Å; L257-I559 HydrophobicContact CD2-CD1 3.71Å |
| 258 | K | 85.9 | Confident | 78 | Confident | 133 Ų | 133 | 93 Ų | 93 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.8 | -48.1 | 172.6 | 174.6 | -172.5 | 172.6 | -170.6 | 0 | 111.2 | V254 T255 E256 Y261 M262 | V254-K258 WeakPolarHBondContact O-CB 3.02Å; V254-K258 PolarHBondContact O-N 3.5Å; T255-K258 PolarHBondContact O-N 3.34Å; E256-K258 VanDerWaalsContact C-N 3.35Å; E256-K258 PolarHBondContact O-N 3.45Å; K258-Y261 PolarHBondContact O-N 3.44Å; K258-M262 HydrophobicContact CG-SD 4.12Å; K258-M262 WeakPolarHBondContact O-CB 3.24Å; K258-M262 WeakPolarHBondContact O-CG 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å |
| 259 | T | 85.7 | Confident | 76.1 | Confident | 61 Ų | 61 | 98.3 Ų | 98.3 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 178.4 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | T255 E256 L257 Y261 M262 E263 | T255-T259 PolarHBondContact O-N 3.14Å; T255-T259 VanDerWaalsContact O-N 3.07Å; T255-T259 PolarHBondContact O-OG1 2.86Å; T255-T259 VanDerWaalsContact O-OG1 3.07Å; E256-T259 WeakPolarHBondContact O-CB 3.47Å; E256-T259 PolarHBondContact O-N 2.99Å; E256-T259 VanDerWaalsContact O-N 3.14Å; L257-T259 VanDerWaalsContact C-N 3.34Å; L257-T259 PolarHBondContact O-N 3.39Å; T259-Y261 VanDerWaalsContact C-N 3.29Å; T259-Y261 PolarHBondContact O-N 3.21Å; T259-M262 PolarHBondContact O-N 3.12Å; T259-M262 VanDerWaalsContact O-N 3.08Å; T259-E263 HydrophobicContact CG2-CG 4.37Å; T259-E263 WeakPolarHBondContact O-CG 3.33Å; T259-E263 PolarHBondContact O-N 3.08Å |
| 260 | K | 80.9 | Confident | 74.8 | Confident | 64 Ų | 64 | 98.6 Ų | 98.6 | 28% | 0.278 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -53.4 | -43.6 | 176.3 | -70.6 | 170.7 | -177.5 | 171 | 0 | 112.3 | E256 L257 K264 E554 | E256-K260 WeakPolarHBondContact O-CG 3.33Å; E256-K260 PolarHBondContact O-N 3.47Å; E256-K260 IonicContact OE2-NZ 3.15Å; L257-K260 PolarHBondContact O-N 2.74Å; K260-K264 PolarHBondContact O-N 3.5Å; K260-E554 WeakPolarHBondContact CD-OE2 3.48Å; K260-E554 IonicContact NZ-OE1 2.86Å; K260-E554 PolarHBondContact NZ-OE1 2.74Å; K260-E554 IonicContact NZ-OE2 2.7Å; K260-E554 PolarHBondContact NZ-OE2 2.87Å |
| 261 | Y | 76.1 | Confident | 73.8 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71 | -37.4 | 177.9 | -90.5 | -106.7 | 0 | 0 | 0 | 113 | L257 K258 T259 R265 P268 | L257-Y261 HydrophobicContact CD1-CD2 3.82Å; L257-Y261 HydrophobicContact CD1-CE2 3.59Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 4.12Å; L257-Y261 WeakPolarHBondContact O-CD2 3.21Å; L257-Y261 PolarHBondContact O-N 3.21Å; K258-Y261 PolarHBondContact O-N 3.44Å; T259-Y261 VanDerWaalsContact C-N 3.29Å; T259-Y261 PolarHBondContact O-N 3.21Å; Y261-R265 PolarHBondContact O-N 3.03Å; Y261-P268 WeakPolarHBondContact OH-CD 3.42Å; Y261-P268 WeakPolarHBondContact OH-CG 3.29Å |
| 262 | M | 79.1 | Confident | 72.7 | Confident | 135 Ų | 135 | 100 Ų | 100 | 67% | 0.665 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.3 | -45.2 | 176.2 | -77.6 | -180 | 61.4 | 0 | 0 | 112.4 | K258 T259 | K258-M262 HydrophobicContact CG-SD 4.12Å; K258-M262 WeakPolarHBondContact O-CB 3.24Å; K258-M262 WeakPolarHBondContact O-CG 3.38Å; K258-M262 PolarHBondContact O-N 3.44Å; T259-M262 PolarHBondContact O-N 3.12Å; T259-M262 VanDerWaalsContact O-N 3.08Å |
| 263 | E | 75.3 | Confident | 72.3 | Confident | 141 Ų | 141 | 97.1 Ų | 97.1 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.9 | -61 | -179.8 | -71.9 | 178.6 | 171 | 0 | 0 | 112.2 | T259 | T259-E263 HydrophobicContact CG2-CG 4.37Å; T259-E263 WeakPolarHBondContact O-CG 3.33Å; T259-E263 PolarHBondContact O-N 3.08Å |
| 264 | K | 63.2 | Low | 72.2 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82 | -30 | -164.9 | -60.7 | -179.9 | -179.6 | 174.6 | 0 | 112.5 | K260 T266 | K260-K264 PolarHBondContact O-N 3.5Å; K264-T266 HydrophobicContact CB-CG2 4.41Å; K264-T266 VanDerWaalsContact CB-OG1 3.29Å; K264-T266 WeakPolarHBondContact CB-OG1 3.41Å; K264-T266 PolarHBondContact O-N 2.68Å |
| 265 | R | 58.9 | Low | 72.2 | Confident | 225 Ų | 225 | 98.4 Ų | 98.4 | 85% | 0.849 | 47% | 0.465 | S | S | * | . | trans | 50.6 | 11.6 | -167.1 | -57.3 | -171.8 | -179.2 | -164.5 | 1.9 | 114.8 | Y261 | Y261-R265 PolarHBondContact O-N 3.03Š| ||
| 266 | T | 51 | Low | 72.2 | Confident | 95 Ų | 95 | 95.6 Ų | 95.6 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 127.2 | 175.6 | 50.3 | 0 | 0 | 0 | 0 | 109.1 | K264 | K264-T266 HydrophobicContact CB-CG2 4.41Å; K264-T266 VanDerWaalsContact CB-OG1 3.29Å; K264-T266 WeakPolarHBondContact CB-OG1 3.41Å; K264-T266 PolarHBondContact O-N 2.68Å |
| 267 | K | 53.5 | Low | 72.4 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 159.7 | 173.2 | -50.3 | 175.8 | -173.2 | 173.5 | 0 | 110.1 | E270 | K267-E270 HydrophobicContact CB-CG 4.29Å; K267-E270 HydrophobicContact CD-CG 3.92Å; K267-E270 WeakPolarHBondContact CD-OE1 3.18Å; K267-E270 WeakPolarHBondContact CD-OE2 3.37Å; K267-E270 WeakPolarHBondContact CE-OE1 3.35Å; K267-E270 IonicContact NZ-OE1 2.71Å; K267-E270 PolarHBondContact NZ-OE1 3.1Å; K267-E270 IonicContact NZ-OE2 2.6Å; K267-E270 PolarHBondContact NZ-OE2 2.88Å |
| 268 | P | 50.9 | Low | 72.8 | Confident | 59 Ų | 59 | 92.1 Ų | 92.1 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -55.5 | 164.9 | 159.9 | -22.6 | 34.3 | 0 | 0 | 0 | 112.1 | Y261 E270 | Y261-P268 WeakPolarHBondContact OH-CD 3.42Å; Y261-P268 WeakPolarHBondContact OH-CG 3.29Å; P268-E270 WeakPolarHBondContact O-CG 3.45Å; P268-E270 PolarHBondContact O-N 3.24Å |
| 269 | E | 50.8 | Low | 73.1 | Confident | 184 Ų | 184 | 88.8 Ų | 88.8 | 86% | 0.86 | 42% | 0.418 | S | S | * | . | trans | -56.3 | 110.8 | -179.7 | -62.6 | -170.8 | 125.5 | 0 | 0 | 111.1 | ||||
| 270 | E | 56.3 | Low | 73.4 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 25% | 0.252 | 40% | 0.404 | S | S | . | . | trans | -80 | 131.6 | -169.6 | -63.6 | -156 | 106.4 | 0 | 0 | 112.4 | K267 P268 F272 R275 | K267-E270 HydrophobicContact CB-CG 4.29Å; K267-E270 HydrophobicContact CD-CG 3.92Å; K267-E270 WeakPolarHBondContact CD-OE1 3.18Å; K267-E270 WeakPolarHBondContact CD-OE2 3.37Å; K267-E270 WeakPolarHBondContact CE-OE1 3.35Å; K267-E270 IonicContact NZ-OE1 2.71Å; K267-E270 PolarHBondContact NZ-OE1 3.1Å; K267-E270 IonicContact NZ-OE2 2.6Å; K267-E270 PolarHBondContact NZ-OE2 2.88Å; P268-E270 WeakPolarHBondContact O-CG 3.45Å; P268-E270 PolarHBondContact O-N 3.24Å; E270-F272 WeakPolarHBondContact CB-O 3.34Å; E270-F272 CarbonylContact O-C 3.59Å; E270-F272 PolarHBondContact O-N 2.95Å; E270-R275 IonicContact OE1-CZ 2.65Å; E270-R275 VanDerWaalsContact OE1-CZ 3.25Å; E270-R275 IonicContact OE1-NE 2.71Å; E270-R275 PolarHBondContact OE1-NE 3.41Å; E270-R275 IonicContact OE1-NH2 3.96Å; E270-R275 PolarHBondContact OE1-NH2 3.01Å | ||
| 271 | I | 65.3 | Low | 73.8 | Confident | 143 Ų | 143 | 84.8 Ų | 84.8 | 73% | 0.733 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -50 | -19.3 | 165.3 | -61.3 | 168.9 | 0 | 0 | 0 | 112.5 | ||
| 272 | F | 67 | Low | 74.2 | Confident | 43 Ų | 43 | 81.7 Ų | 81.7 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -119.8 | 124.8 | 176.1 | -52 | -95.8 | 0 | 0 | 0 | 108.6 | E270 K274 R275 T296 F297 K298 | E270-F272 WeakPolarHBondContact CB-O 3.34Å; E270-F272 CarbonylContact O-C 3.59Å; E270-F272 PolarHBondContact O-N 2.95Å; F272-K274 PolarHBondContact O-N 3.38Å; F272-R275 HydrophobicContact CB-CB 4.37Å; F272-T296 HydrophobicContact CD1-CG2 4.13Å; F272-T296 WeakPolarHBondContact CD1-OG1 3.5Å; F272-T296 HydrophobicContact CE1-CG2 4.04Å; F272-T296 WeakPolarHBondContact CE1-OG1 3.44Å; F272-F297 CarbonylContact C-O 3.42Å; F272-F297 WeakPolarHBondContact CA-O 3.43Å; F272-K298 HydrophobicContact CD1-CD 4.3Å; F272-K298 VanDerWaalsContact CD1-CE 3.44Å; F272-K298 HydrophobicContact CD1-CG 3.83Å; F272-K298 HydrophobicContact CG-CG 4.5Å |
| 273 | T | 81.8 | Confident | 74 | Confident | 71 Ų | 71 | 83.6 Ų | 83.6 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -52.6 | -29.9 | 175.6 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | F297 K299 A373 | T273-F297 PolarHBondContact N-O 3.36Å; T273-K299 HydrophobicContact CG2-CB 3.88Å; T273-K299 HydrophobicContact CG2-CD 4.39Å; T273-K299 VanDerWaalsContact OG1-CB 3.25Å; T273-K299 WeakPolarHBondContact OG1-CB 3.16Å; T273-K299 PolarHBondContact OG1-N 3.25Å; T273-A373 HydrophobicContact CG2-CB 4.14Å |
| 274 | K | 84.2 | Confident | 73.9 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 10% | 0.096 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.8 | 160.5 | -170.3 | 160.6 | 164.7 | 62.1 | 0 | 111.5 | F272 T296 F297 D366 Y369 W370 A373 | F272-K274 PolarHBondContact O-N 3.38Å; K274-T296 CarbonylContact O-C 3.36Å; K274-F297 PolarHBondContact N-O 2.9Å; K274-F297 PolarHBondContact O-N 3.15Å; K274-D366 WeakPolarHBondContact CE-OD1 3.26Å; K274-D366 IonicContact NZ-OD1 2.85Å; K274-D366 PolarHBondContact NZ-OD1 3.44Å; K274-Y369 WeakPolarHBondContact CD-O 3.13Å; K274-W370 HydrophobicContact CB-CE3 3.98Å; K274-W370 HydrophobicContact CB-CH2 4.41Å; K274-W370 HydrophobicContact CB-CZ3 3.82Å; K274-W370 HydrophobicContact CD-CB 4.45Å; K274-W370 HydrophobicContact CD-CD2 3.59Å; K274-W370 HydrophobicContact CD-CE3 3.63Å; K274-W370 HydrophobicContact CD-CG 3.91Å; K274-W370 HydrophobicContact CD-CZ3 4.21Å; K274-W370 VanDerWaalsContact CE-CE2 3.44Å; K274-W370 HydrophobicContact CG-CD2 4.01Å; K274-W370 HydrophobicContact CG-CE3 3.76Å; K274-W370 HydrophobicContact CG-CH2 4.04Å; K274-W370 HydrophobicContact CG-CZ2 4.22Å; K274-W370 HydrophobicContact CG-CZ3 3.78Å; K274-A373 HydrophobicContact CB-CB 3.9Å; K274-A373 HydrophobicContact CD-CB 4.26Å |
| 275 | R | 88.7 | Confident | 74.2 | Confident | 96 Ų | 96 | 81.9 Ų | 81.9 | 36% | 0.362 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.3 | 165.6 | 59.8 | -178 | 170.4 | 159.1 | -0.1 | 111.6 | E270 F272 Y294 C295 T296 | E270-R275 IonicContact OE1-CZ 2.65Å; E270-R275 VanDerWaalsContact OE1-CZ 3.25Å; E270-R275 IonicContact OE1-NE 2.71Å; E270-R275 PolarHBondContact OE1-NE 3.41Å; E270-R275 IonicContact OE1-NH2 3.96Å; E270-R275 PolarHBondContact OE1-NH2 3.01Å; F272-R275 HydrophobicContact CB-CB 4.37Å; R275-Y294 HydrophobicContact CB-CE1 4.43Å; R275-Y294 WeakPolarHBondContact CD-OH 3.27Å; R275-C295 VanDerWaalsContact CA-O 3.29Å; R275-C295 WeakPolarHBondContact CA-O 3.43Å; R275-T296 HydrophobicContact CB-CG2 3.9Å |
| 276 | G | 88.4 | Confident | 74.8 | Confident | 14 Ų | 14 | 81.3 Ų | 81.3 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C295 | G276-C295 PolarHBondContact N-O 3.08Å; G276-C295 PolarHBondContact O-N 3.39Å |
| 277 | Y | 92.1 | Very high | 76 | Confident | 43 Ų | 43 | 84.5 Ų | 84.5 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 139.7 | 176.4 | -63.7 | -78.7 | 0 | 0 | 0 | 112 | K292 Y293 Y294 F309 | Y277-K292 HydrophobicContact CD1-CD 4.26Å; Y277-K292 HydrophobicContact CD1-CG 4.09Å; Y277-K292 VanDerWaalsContact CG-CE 3.49Å; Y277-Y293 WeakPolarHBondContact CA-O 3.15Å; Y277-Y294 AromaticContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CG 4.49Å; Y277-Y294 HydrophobicContact CD2-CD2 4.31Å; Y277-Y294 AromaticContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CG 4.28Å; Y277-Y294 HydrophobicContact CE2-CD2 4.09Å; Y277-Y294 HydrophobicContact CG-CD2 4.23Å; Y277-Y294 AromaticContact CZ-CD2 3.8Å; Y277-F309 HydrophobicContact CE1-CD1 4.03Å; Y277-F309 WeakPolarHBondContact OH-CD1 3.28Å |
| 278 | L | 92.8 | Very high | 77.2 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 156.7 | 166.9 | -68.8 | 173.9 | 0 | 0 | 0 | 108.9 | Y293 C295 F304 F345 F359 Q360 A361 W370 | L278-Y293 PolarHBondContact N-O 2.88Å; L278-Y293 PolarHBondContact O-N 3.35Å; L278-Y293 VanDerWaalsContact O-O 3.09Å; L278-C295 HydrophobicContact CD1-CB 3.98Å; L278-C295 HydrophobicContact CG-CB 4.4Å; L278-F304 HydrophobicContact CD1-CE2 4.45Å; L278-F304 HydrophobicContact CD1-CZ 4.08Å; L278-F345 HydrophobicContact CD1-CZ 3.78Å; L278-F345 HydrophobicContact CD2-CE1 3.77Å; L278-F345 HydrophobicContact CD2-CZ 3.77Å; L278-F345 HydrophobicContact CG-CZ 4.45Å; L278-F359 HydrophobicContact CB-CB 4.41Å; L278-F359 HydrophobicContact CB-CD1 3.85Å; L278-F359 HydrophobicContact CD1-CB 4.14Å; L278-F359 HydrophobicContact CD1-CD1 3.91Å; L278-F359 HydrophobicContact CD1-CG 4.11Å; L278-F359 HydrophobicContact CG-CD1 4.5Å; L278-Q360 WeakPolarHBondContact CA-O 3.4Å; L278-Q360 WeakPolarHBondContact CD2-O 3.49Å; L278-A361 HydrophobicContact CD2-CB 4.07Å; L278-W370 HydrophobicContact CD1-CD2 4.19Å; L278-W370 HydrophobicContact CD1-CH2 4.38Å; L278-W370 HydrophobicContact CD1-CZ2 4Å; L278-W370 HydrophobicContact CD2-CD2 4.34Å; L278-W370 HydrophobicContact CD2-CG 4.21Å; L278-W370 HydrophobicContact CD2-CZ2 4.38Å; L278-W370 VanDerWaalsContact CD2-NE1 3.32Å; L278-W370 HydrophobicContact CG-CZ2 3.93Å |
| 279 | F | 92.4 | Very high | 78.9 | Confident | 62 Ų | 62 | 81 Ų | 81 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.3 | 166.6 | -68 | -100.9 | 0 | 0 | 0 | 109.4 | W290 T291 K292 F359 Q360 L362 | F279-W290 HydrophobicContact CB-CB 4.47Å; F279-W290 HydrophobicContact CB-CE3 3.98Å; F279-W290 WeakPolarHBondContact O-CZ3 3.4Å; F279-T291 CarbonylContact C-O 3.57Å; F279-T291 VanDerWaalsContact CA-O 3.31Å; F279-T291 WeakPolarHBondContact CA-O 3.41Å; F279-K292 HydrophobicContact CD1-CB 3.91Å; F279-K292 HydrophobicContact CD1-CG 4.4Å; F279-K292 HydrophobicContact CE1-CB 3.68Å; F279-K292 HydrophobicContact CE1-CD 4.21Å; F279-K292 HydrophobicContact CE1-CG 4Å; F279-K292 HydrophobicContact CE2-CG 4.38Å; F279-K292 HydrophobicContact CZ-CB 4.2Å; F279-K292 HydrophobicContact CZ-CD 3.93Å; F279-K292 HydrophobicContact CZ-CG 3.99Å; F279-F359 CarbonylContact O-C 3.37Å; F279-F359 VanDerWaalsContact O-CA 3.3Å; F279-F359 WeakPolarHBondContact O-CA 3.31Å; F279-Q360 HydrophobicContact CB-CB 4.29Å; F279-Q360 PolarHBondContact N-O 3.03Å; F279-Q360 PolarHBondContact O-N 3.39Å; F279-L362 HydrophobicContact CD2-CD2 4.37Å; F279-L362 HydrophobicContact CE2-CD2 3.92Å |
| 280 | L | 92.1 | Very high | 80.7 | Confident | 13 Ų | 13 | 75.2 Ų | 75.2 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136 | 175 | 174.9 | 58.6 | 0 | 0 | 0 | 110 | E282 W290 T291 Y293 M306 Y357 F359 | L280-E282 PolarHBondContact O-N 3.42Å; L280-W290 WeakPolarHBondContact O-CA 3.48Å; L280-T291 PolarHBondContact N-O 3.43Å; L280-T291 PolarHBondContact O-N 2.91Å; L280-Y293 HydrophobicContact CB-CD2 3.75Å; L280-Y293 HydrophobicContact CB-CE2 3.75Å; L280-Y293 HydrophobicContact CD2-CD2 4.43Å; L280-Y293 HydrophobicContact CD2-CE2 3.93Å; L280-Y293 HydrophobicContact CG-CE2 4.4Å; L280-M306 HydrophobicContact CD2-SD 4.45Å; L280-Y357 HydrophobicContact CD1-CD1 3.67Å; L280-Y357 HydrophobicContact CD1-CG 4.29Å; L280-Y357 HydrophobicContact CD2-CD1 3.85Å; L280-Y357 HydrophobicContact CD2-CE1 4.08Å; L280-Y357 HydrophobicContact CG-CD1 4.44Å; L280-F359 HydrophobicContact CB-CD1 4.05Å; L280-F359 HydrophobicContact CB-CE1 3.87Å; L280-F359 HydrophobicContact CD1-CD1 4.25Å; L280-F359 HydrophobicContact CD1-CE1 3.93Å; L280-F359 HydrophobicContact CD1-CE2 4.22Å; L280-F359 HydrophobicContact CD1-CZ 3.91Å; L280-F359 HydrophobicContact CD2-CE1 4.42Å; L280-F359 HydrophobicContact CG-CE1 4.28Å |
| 281 | M | 89.4 | Confident | 82.2 | Confident | 28 Ų | 28 | 73.8 Ų | 73.8 | 14% | 0.138 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 99.2 | 173.7 | -168.4 | -177.5 | 64 | 0 | 0 | 111.6 | K283 A288 W290 F339 T358 | M281-K283 HydrophobicContact CE-CG 4.36Å; M281-A288 HydrophobicContact CG-CB 3.94Å; M281-A288 HydrophobicContact SD-CB 4.22Å; M281-W290 HydrophobicContact CB-CD2 4.12Å; M281-W290 HydrophobicContact CB-CE3 3.97Å; M281-W290 HydrophobicContact CB-CH2 3.71Å; M281-W290 HydrophobicContact CB-CZ2 3.83Å; M281-W290 HydrophobicContact CB-CZ3 3.76Å; M281-W290 HydrophobicContact CG-CD2 4.33Å; M281-W290 HydrophobicContact CG-CH2 4.19Å; M281-W290 HydrophobicContact CG-CZ2 3.79Å; M281-W290 HydrophobicContact SD-CH2 4.28Å; M281-W290 HydrophobicContact SD-CZ2 3.76Å; M281-F339 HydrophobicContact SD-CZ 3.94Å; M281-T358 PolarHBondContact N-O 3.15Å |
| 282 | E | 84.9 | Confident | 83.4 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 113.4 | 172.8 | -69.4 | 162.4 | -168.8 | 0 | 0 | 109.8 | L280 K284 A288 T289 T291 Y293 | L280-E282 PolarHBondContact O-N 3.42Å; E282-K284 PolarHBondContact O-N 3.2Å; E282-A288 WeakPolarHBondContact O-CA 3.36Å; E282-T289 PolarHBondContact N-O 2.85Å; E282-T289 PolarHBondContact O-N 2.76Å; E282-T289 PolarHBondContact O-OG1 3.38Å; E282-T291 WeakPolarHBondContact OE1-CB 3.36Å; E282-T291 WeakPolarHBondContact OE1-CG2 3.44Å; E282-T291 PolarHBondContact OE1-OG1 3.28Å; E282-T291 PolarHBondContact OE2-OG1 3.25Å; E282-Y293 PolarHBondContact OE1-OH 2.65Å |
| 283 | K | 74.7 | Confident | 84.5 | Confident | 176 Ų | 176 | 69.1 Ų | 69.1 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 104.2 | 175.7 | -67.9 | 179.7 | 180 | 177.4 | 0 | 110.2 | M281 | M281-K283 HydrophobicContact CE-CG 4.36Å |
| 284 | K | 72.7 | Confident | 84.9 | Confident | 118 Ų | 118 | 69 Ų | 69 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 154.8 | 168.2 | -57.8 | -176.3 | -179.8 | 176.2 | 0 | 109.4 | E282 F286 K287 T289 | E282-K284 PolarHBondContact O-N 3.2Å; K284-F286 PolarHBondContact O-N 2.87Å; K284-K287 WeakPolarHBondContact CB-O 3.34Å; K284-K287 PolarHBondContact N-O 3.27Å; K284-K287 VanDerWaalsContact N-O 3.1Å; K284-K287 PolarHBondContact O-N 2.86Å; K284-K287 VanDerWaalsContact O-O 3.13Å; K284-T289 HydrophobicContact CD-CG2 4.17Å; K284-T289 VanDerWaalsContact CE-OG1 3.25Å; K284-T289 WeakPolarHBondContact CE-OG1 3.46Å |
| 285 | P | 70.1 | Confident | 85.3 | Confident | 125 Ų | 125 | 68 Ų | 68 | 81% | 0.812 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.8 | -164.9 | -31.5 | 36.8 | 0 | 0 | 0 | 116.8 | ||
| 286 | F | 71.1 | Confident | 85.4 | Confident | 212 Ų | 212 | 63.9 Ų | 63.9 | 93% | 0.93 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -3.9 | -179 | -54.8 | -71 | 0 | 0 | 0 | 114.5 | K284 | K284-F286 PolarHBondContact O-N 2.87Š|
| 287 | K | 76 | Confident | 85.4 | Confident | 163 Ų | 163 | 63.2 Ų | 63.2 | 71% | 0.709 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 139.6 | -178 | -162.4 | 165.5 | -176.6 | 172.4 | 0 | 112.2 | K284 | K284-K287 WeakPolarHBondContact CB-O 3.34Å; K284-K287 PolarHBondContact N-O 3.27Å; K284-K287 VanDerWaalsContact N-O 3.1Å; K284-K287 PolarHBondContact O-N 2.86Å; K284-K287 VanDerWaalsContact O-O 3.13Å |
| 288 | A | 79.4 | Confident | 85.2 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | M281 E282 | M281-A288 HydrophobicContact CG-CB 3.94Å; M281-A288 HydrophobicContact SD-CB 4.22Å; E282-A288 WeakPolarHBondContact O-CA 3.36Å |
| 289 | T | 86.6 | Confident | 84.9 | Confident | 44 Ų | 44 | 68 Ų | 68 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.9 | 171.8 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | E282 K284 | E282-T289 PolarHBondContact N-O 2.85Å; E282-T289 PolarHBondContact O-N 2.76Å; E282-T289 PolarHBondContact O-OG1 3.38Å; K284-T289 HydrophobicContact CD-CG2 4.17Å; K284-T289 VanDerWaalsContact CE-OG1 3.25Å; K284-T289 WeakPolarHBondContact CE-OG1 3.46Å |
| 290 | W | 88.3 | Confident | 84.4 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 24% | 0.242 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.6 | 178.8 | -71.8 | 87.6 | 0 | 0 | 0 | 109.8 | F279 L280 M281 F339 K341 T358 Q360 | F279-W290 HydrophobicContact CB-CB 4.47Å; F279-W290 HydrophobicContact CB-CE3 3.98Å; F279-W290 WeakPolarHBondContact O-CZ3 3.4Å; L280-W290 WeakPolarHBondContact O-CA 3.48Å; M281-W290 HydrophobicContact CB-CD2 4.12Å; M281-W290 HydrophobicContact CB-CE3 3.97Å; M281-W290 HydrophobicContact CB-CH2 3.71Å; M281-W290 HydrophobicContact CB-CZ2 3.83Å; M281-W290 HydrophobicContact CB-CZ3 3.76Å; M281-W290 HydrophobicContact CG-CD2 4.33Å; M281-W290 HydrophobicContact CG-CH2 4.19Å; M281-W290 HydrophobicContact CG-CZ2 3.79Å; M281-W290 HydrophobicContact SD-CH2 4.28Å; M281-W290 HydrophobicContact SD-CZ2 3.76Å; W290-F339 HydrophobicContact CH2-CE1 4.06Å; W290-F339 AromaticContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CZ 4.17Å; W290-K341 HydrophobicContact CH2-CB 4.47Å; W290-K341 HydrophobicContact CZ2-CB 4.12Å; W290-K341 HydrophobicContact CZ2-CG 3.76Å; W290-T358 HydrophobicContact CH2-CG2 4.05Å; W290-Q360 HydrophobicContact CE3-CB 4.1Å; W290-Q360 HydrophobicContact CH2-CB 4.26Å; W290-Q360 HydrophobicContact CZ3-CB 3.58Å |
| 291 | T | 88.1 | Confident | 84.1 | Confident | 23 Ų | 23 | 80.6 Ų | 80.6 | 14% | 0.141 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.7 | -172.2 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | F279 L280 E282 Y293 Q308 | F279-T291 CarbonylContact C-O 3.57Å; F279-T291 VanDerWaalsContact CA-O 3.31Å; F279-T291 WeakPolarHBondContact CA-O 3.41Å; L280-T291 PolarHBondContact N-O 3.43Å; L280-T291 PolarHBondContact O-N 2.91Å; E282-T291 WeakPolarHBondContact OE1-CB 3.36Å; E282-T291 WeakPolarHBondContact OE1-CG2 3.44Å; E282-T291 PolarHBondContact OE1-OG1 3.28Å; E282-T291 PolarHBondContact OE2-OG1 3.25Å; T291-Y293 HydrophobicContact CG2-CD2 4.18Å; T291-Y293 HydrophobicContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact O-CD2 3.29Å; T291-Y293 WeakPolarHBondContact O-CD2 3.32Å; T291-Q308 HydrophobicContact CG2-CG 4.02Å |
| 292 | K | 90.4 | Very high | 84.1 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 24% | 0.239 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.5 | -174.4 | -169.6 | 179.8 | 175.9 | -178.2 | 0 | 111.2 | Y277 F279 F309 | Y277-K292 HydrophobicContact CD1-CD 4.26Å; Y277-K292 HydrophobicContact CD1-CG 4.09Å; Y277-K292 VanDerWaalsContact CG-CE 3.49Å; F279-K292 HydrophobicContact CD1-CB 3.91Å; F279-K292 HydrophobicContact CD1-CG 4.4Å; F279-K292 HydrophobicContact CE1-CB 3.68Å; F279-K292 HydrophobicContact CE1-CD 4.21Å; F279-K292 HydrophobicContact CE1-CG 4Å; F279-K292 HydrophobicContact CE2-CG 4.38Å; F279-K292 HydrophobicContact CZ-CB 4.2Å; F279-K292 HydrophobicContact CZ-CD 3.93Å; F279-K292 HydrophobicContact CZ-CG 3.99Å; K292-F309 PolarHBondContact O-N 2.69Å |
| 293 | Y | 90.2 | Very high | 84.4 | Confident | 34 Ų | 34 | 84 Ų | 84 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.8 | 174.4 | -66.3 | -94.9 | 0 | 0 | 0 | 109.9 | Y277 L278 L280 E282 T291 M306 L307 Q308 | Y277-Y293 WeakPolarHBondContact CA-O 3.15Å; L278-Y293 PolarHBondContact N-O 2.88Å; L278-Y293 PolarHBondContact O-N 3.35Å; L278-Y293 VanDerWaalsContact O-O 3.09Å; L280-Y293 HydrophobicContact CB-CD2 3.75Å; L280-Y293 HydrophobicContact CB-CE2 3.75Å; L280-Y293 HydrophobicContact CD2-CD2 4.43Å; L280-Y293 HydrophobicContact CD2-CE2 3.93Å; L280-Y293 HydrophobicContact CG-CE2 4.4Å; E282-Y293 PolarHBondContact OE1-OH 2.65Å; T291-Y293 HydrophobicContact CG2-CD2 4.18Å; T291-Y293 HydrophobicContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact CG2-CE2 3.42Å; T291-Y293 VanDerWaalsContact O-CD2 3.29Å; T291-Y293 WeakPolarHBondContact O-CD2 3.32Å; Y293-M306 HydrophobicContact CD1-CB 4Å; Y293-M306 HydrophobicContact CG-CB 4.47Å; Y293-L307 CarbonylContact C-O 3.25Å; Y293-L307 WeakPolarHBondContact CA-O 3.5Å; Y293-Q308 HydrophobicContact CD1-CB 3.88Å; Y293-Q308 HydrophobicContact CD1-CG 4.33Å; Y293-Q308 HydrophobicContact CE1-CB 3.65Å; Y293-Q308 HydrophobicContact CE1-CG 3.94Å |
| 294 | Y | 90.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 75.6 Ų | 75.6 | 27% | 0.271 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.5 | 160.3 | -171.4 | -96.4 | 0 | 0 | 0 | 107.7 | R275 Y277 T296 L307 | R275-Y294 HydrophobicContact CB-CE1 4.43Å; R275-Y294 WeakPolarHBondContact CD-OH 3.27Å; Y277-Y294 AromaticContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CD2 3.93Å; Y277-Y294 HydrophobicContact CD1-CG 4.49Å; Y277-Y294 HydrophobicContact CD2-CD2 4.31Å; Y277-Y294 AromaticContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CD2 3.72Å; Y277-Y294 HydrophobicContact CE1-CG 4.28Å; Y277-Y294 HydrophobicContact CE2-CD2 4.09Å; Y277-Y294 HydrophobicContact CG-CD2 4.23Å; Y277-Y294 AromaticContact CZ-CD2 3.8Å; Y294-T296 HydrophobicContact CD1-CG2 4.21Å; Y294-T296 HydrophobicContact CE1-CG2 3.85Å; Y294-L307 PolarHBondContact N-O 3.26Å; Y294-L307 PolarHBondContact O-N 2.81Å |
| 295 | C | 91.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.3 | -174.6 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | R275 G276 L278 F304 T305 W370 | R275-C295 VanDerWaalsContact CA-O 3.29Å; R275-C295 WeakPolarHBondContact CA-O 3.43Å; G276-C295 PolarHBondContact N-O 3.08Å; G276-C295 PolarHBondContact O-N 3.39Å; L278-C295 HydrophobicContact CD1-CB 3.98Å; L278-C295 HydrophobicContact CG-CB 4.4Å; C295-F304 HydrophobicContact CB-CE2 3.92Å; C295-F304 HydrophobicContact CB-CZ 3.69Å; C295-T305 CarbonylContact C-O 3.49Å; C295-T305 WeakPolarHBondContact CA-O 3.45Å; C295-W370 HydrophobicContact CB-CH2 3.97Å; C295-W370 HydrophobicContact CB-CZ2 4.36Å |
| 296 | T | 90.8 | Very high | 87 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.3 | 171.7 | 90.1 | 0 | 0 | 0 | 0 | 110.8 | F272 K274 R275 Y294 F304 T305 | F272-T296 HydrophobicContact CD1-CG2 4.13Å; F272-T296 WeakPolarHBondContact CD1-OG1 3.5Å; F272-T296 HydrophobicContact CE1-CG2 4.04Å; F272-T296 WeakPolarHBondContact CE1-OG1 3.44Å; K274-T296 CarbonylContact O-C 3.36Å; R275-T296 HydrophobicContact CB-CG2 3.9Å; Y294-T296 HydrophobicContact CD1-CG2 4.21Å; Y294-T296 HydrophobicContact CE1-CG2 3.85Å; T296-F304 CarbonylContact O-C 3.53Å; T296-F304 WeakPolarHBondContact O-CA 3.41Å; T296-F304 WeakPolarHBondContact O-CD2 3.41Å; T296-T305 PolarHBondContact N-O 3.07Å; T296-T305 PolarHBondContact O-N 2.89Å; T296-T305 PolarHBondContact OG1-OG1 3.33Å |
| 297 | F | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.6 | 179.4 | -175.9 | -111.6 | 0 | 0 | 0 | 111.8 | F272 T273 K274 K299 R302 E303 F304 L329 W370 A373 M374 | F272-F297 CarbonylContact C-O 3.42Å; F272-F297 WeakPolarHBondContact CA-O 3.43Å; T273-F297 PolarHBondContact N-O 3.36Å; K274-F297 PolarHBondContact N-O 2.9Å; K274-F297 PolarHBondContact O-N 3.15Å; F297-K299 HydrophobicContact CD1-CB 4.48Å; F297-K299 HydrophobicContact CE1-CB 3.79Å; F297-K299 HydrophobicContact CE1-CG 4.45Å; F297-R302 HydrophobicContact CE2-CB 4.48Å; F297-R302 HydrophobicContact CZ-CG 4.42Å; F297-E303 CarbonylContact C-O 3.58Å; F297-E303 WeakPolarHBondContact CA-O 3.38Å; F297-E303 WeakPolarHBondContact CD2-O 3.46Å; F297-F304 HydrophobicContact CB-CD2 4.11Å; F297-F304 HydrophobicContact CD2-CB 4.04Å; F297-F304 HydrophobicContact CD2-CD2 4.05Å; F297-F304 HydrophobicContact CG-CD2 4.5Å; F297-L329 HydrophobicContact CE2-CB 3.86Å; F297-L329 HydrophobicContact CE2-CD2 3.72Å; F297-L329 HydrophobicContact CE2-CG 4.43Å; F297-L329 HydrophobicContact CZ-CD2 3.75Å; F297-W370 HydrophobicContact CB-CZ3 4.21Å; F297-A373 WeakPolarHBondContact CE1-O 3.5Å; F297-M374 HydrophobicContact CD1-CG 3.94Å; F297-M374 HydrophobicContact CD2-CG 4.34Å; F297-M374 HydrophobicContact CE1-CG 4.01Å; F297-M374 HydrophobicContact CE2-CG 4.4Å; F297-M374 HydrophobicContact CG-CG 4.11Å; F297-M374 HydrophobicContact CZ-CG 4.24Å |
| 298 | K | 88.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 54.5 Ų | 54.5 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 101 | 174.2 | -60 | 176.9 | -168.6 | 152.1 | 0 | 110.1 | F272 Q300 K301 R302 E303 | F272-K298 HydrophobicContact CD1-CD 4.3Å; F272-K298 VanDerWaalsContact CD1-CE 3.44Å; F272-K298 HydrophobicContact CD1-CG 3.83Å; F272-K298 HydrophobicContact CG-CG 4.5Å; K298-Q300 VanDerWaalsContact C-N 3.28Å; K298-Q300 PolarHBondContact O-N 2.77Å; K298-K301 PolarHBondContact O-N 2.8Å; K298-R302 WeakPolarHBondContact O-CA 3.32Å; K298-R302 PolarHBondContact O-N 2.67Å; K298-E303 HydrophobicContact CB-CB 4.41Å; K298-E303 WeakPolarHBondContact CD-OE1 3.3Å; K298-E303 WeakPolarHBondContact CE-OE1 3.26Å; K298-E303 PolarHBondContact N-O 2.98Å; K298-E303 IonicContact NZ-OE1 3.12Å; K298-E303 PolarHBondContact NZ-OE1 3.08Å; K298-E303 PolarHBondContact O-N 2.67Å |
| 299 | K | 84.8 | Confident | 88.2 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -38.9 | -175.7 | -179.6 | 165.2 | 170 | 162.4 | 0 | 113.6 | T273 F297 K301 R302 D375 | T273-K299 HydrophobicContact CG2-CB 3.88Å; T273-K299 HydrophobicContact CG2-CD 4.39Å; T273-K299 VanDerWaalsContact OG1-CB 3.25Å; T273-K299 WeakPolarHBondContact OG1-CB 3.16Å; T273-K299 PolarHBondContact OG1-N 3.25Å; F297-K299 HydrophobicContact CD1-CB 4.48Å; F297-K299 HydrophobicContact CE1-CB 3.79Å; F297-K299 HydrophobicContact CE1-CG 4.45Å; K299-K301 VanDerWaalsContact C-N 3.27Å; K299-K301 PolarHBondContact O-N 3.41Å; K299-R302 PolarHBondContact O-N 3.12Å; K299-D375 WeakPolarHBondContact CE-OD1 3.47Å; K299-D375 IonicContact NZ-OD1 3.54Å; K299-D375 PolarHBondContact NZ-OD1 3.22Å |
| 300 | Q | 82.7 | Confident | 87.6 | Confident | 195 Ų | 195 | 57.6 Ų | 57.6 | 91% | 0.911 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.3 | 177.1 | -68.6 | 179.7 | -6 | 0 | 0 | 113.8 | K298 | K298-Q300 VanDerWaalsContact C-N 3.28Å; K298-Q300 PolarHBondContact O-N 2.77Å |
| 301 | K | 86.2 | Confident | 86.9 | Confident | 143 Ų | 143 | 60 Ų | 60 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -10.4 | 178.6 | -66 | -167.8 | 176.8 | -169.5 | 0 | 113.4 | K298 K299 E303 | K298-K301 PolarHBondContact O-N 2.8Å; K299-K301 VanDerWaalsContact C-N 3.27Å; K299-K301 PolarHBondContact O-N 3.41Å; K301-E303 HydrophobicContact CB-CB 3.78Å; K301-E303 PolarHBondContact O-N 2.92Å; K301-E303 VanDerWaalsContact O-N 3.15Å |
| 302 | R | 88.4 | Confident | 86.3 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 25.4 | -159.9 | -67.4 | -171.3 | 164 | -162.6 | -6 | 113.7 | F297 K298 K299 F304 T328 L329 D375 | F297-R302 HydrophobicContact CE2-CB 4.48Å; F297-R302 HydrophobicContact CZ-CG 4.42Å; K298-R302 WeakPolarHBondContact O-CA 3.32Å; K298-R302 PolarHBondContact O-N 2.67Å; K299-R302 PolarHBondContact O-N 3.12Å; R302-F304 PolarHBondContact O-N 3.42Å; R302-T328 HydrophobicContact CB-CG2 4.25Å; R302-L329 HydrophobicContact CB-CB 4.36Å; R302-L329 PolarHBondContact O-N 3.4Å; R302-D375 IonicContact CZ-OD2 3.15Å; R302-D375 IonicContact NE-OD2 2.75Å; R302-D375 IonicContact NH2-OD2 3.83Å; R302-D375 PolarHBondContact NH2-OD2 3.25Å |
| 303 | E | 90.7 | Very high | 85.1 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 117.2 | 178.3 | -177.5 | -172.5 | 103 | 0 | 0 | 108.8 | F297 K298 K301 T305 | F297-E303 CarbonylContact C-O 3.58Å; F297-E303 WeakPolarHBondContact CA-O 3.38Å; F297-E303 WeakPolarHBondContact CD2-O 3.46Å; K298-E303 HydrophobicContact CB-CB 4.41Å; K298-E303 WeakPolarHBondContact CD-OE1 3.3Å; K298-E303 WeakPolarHBondContact CE-OE1 3.26Å; K298-E303 PolarHBondContact N-O 2.98Å; K298-E303 IonicContact NZ-OE1 3.12Å; K298-E303 PolarHBondContact NZ-OE1 3.08Å; K298-E303 PolarHBondContact O-N 2.67Å; K301-E303 HydrophobicContact CB-CB 3.78Å; K301-E303 PolarHBondContact O-N 2.92Å; K301-E303 VanDerWaalsContact O-N 3.15Å; E303-T305 HydrophobicContact CG-CG2 4.2Å |
| 304 | F | 92.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.4 | 171.1 | -173.1 | -105.9 | 0 | 0 | 0 | 108.7 | L278 C295 T296 F297 R302 M306 K326 L327 L347 F349 F359 W370 M374 | L278-F304 HydrophobicContact CD1-CE2 4.45Å; L278-F304 HydrophobicContact CD1-CZ 4.08Å; C295-F304 HydrophobicContact CB-CE2 3.92Å; C295-F304 HydrophobicContact CB-CZ 3.69Å; T296-F304 CarbonylContact O-C 3.53Å; T296-F304 WeakPolarHBondContact O-CA 3.41Å; T296-F304 WeakPolarHBondContact O-CD2 3.41Å; F297-F304 HydrophobicContact CB-CD2 4.11Å; F297-F304 HydrophobicContact CD2-CB 4.04Å; F297-F304 HydrophobicContact CD2-CD2 4.05Å; F297-F304 HydrophobicContact CG-CD2 4.5Å; R302-F304 PolarHBondContact O-N 3.42Å; F304-M306 HydrophobicContact CD1-CG 4Å; F304-M306 HydrophobicContact CE1-CG 3.47Å; F304-M306 VanDerWaalsContact CE1-CG 3.47Å; F304-M306 HydrophobicContact CE1-SD 3.88Å; F304-M306 HydrophobicContact CZ-CG 4.3Å; F304-K326 WeakPolarHBondContact O-CA 3.44Å; F304-L327 PolarHBondContact N-O 3.08Å; F304-L327 PolarHBondContact O-N 2.68Å; F304-L327 VanDerWaalsContact O-O 3.12Å; F304-L347 HydrophobicContact CE1-CD1 4.17Å; F304-L347 HydrophobicContact CE2-CD1 4.17Å; F304-L347 HydrophobicContact CZ-CD1 3.93Å; F304-F349 HydrophobicContact CB-CE1 3.86Å; F304-F349 AromaticContact CD1-CE1 3.55Å; F304-F349 HydrophobicContact CD1-CE1 3.55Å; F304-F349 AromaticContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CD1-CZ 3.48Å; F304-F349 VanDerWaalsContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CE1-CE1 4.33Å; F304-F349 AromaticContact CE1-CZ 3.82Å; F304-F349 HydrophobicContact CE1-CZ 3.82Å; F304-F349 AromaticContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CZ 4.24Å; F304-F359 HydrophobicContact CE1-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE2 4.32Å; F304-F359 AromaticContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CZ-CE1 4.35Å; F304-F359 HydrophobicContact CZ-CZ 4.18Å; F304-W370 HydrophobicContact CE2-CZ3 4.26Å; F304-M374 HydrophobicContact CD2-CE 3.91Å; F304-M374 HydrophobicContact CD2-SD 4.44Å; F304-M374 HydrophobicContact CE2-CE 3.48Å; F304-M374 VanDerWaalsContact CE2-CE 3.48Å; F304-M374 HydrophobicContact CE2-SD 4.48Å; F304-M374 HydrophobicContact CZ-CE 4.38Å |
| 305 | T | 91.2 | Very high | 82.1 | Confident | 16 Ų | 16 | 77 Ų | 77 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.1 | 179.7 | 74.6 | 0 | 0 | 0 | 0 | 110.6 | C295 T296 E303 E325 K326 | C295-T305 CarbonylContact C-O 3.49Å; C295-T305 WeakPolarHBondContact CA-O 3.45Å; T296-T305 PolarHBondContact N-O 3.07Å; T296-T305 PolarHBondContact O-N 2.89Å; T296-T305 PolarHBondContact OG1-OG1 3.33Å; E303-T305 HydrophobicContact CG-CG2 4.2Å; T305-E325 CarbonylContact C-O 3.54Å; T305-E325 WeakPolarHBondContact CA-O 3.49Å; T305-K326 HydrophobicContact CG2-CB 4.38Å; T305-K326 HydrophobicContact CG2-CD 4.42Å; T305-K326 HydrophobicContact CG2-CG 3.88Å |
| 306 | M | 90.4 | Very high | 80.4 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 2% | 0.015 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.3 | 177.4 | -60.3 | -175.7 | -76.4 | 0 | 0 | 111 | L280 Y293 F304 E325 L327 Y357 F359 | L280-M306 HydrophobicContact CD2-SD 4.45Å; Y293-M306 HydrophobicContact CD1-CB 4Å; Y293-M306 HydrophobicContact CG-CB 4.47Å; F304-M306 HydrophobicContact CD1-CG 4Å; F304-M306 HydrophobicContact CE1-CG 3.47Å; F304-M306 VanDerWaalsContact CE1-CG 3.47Å; F304-M306 HydrophobicContact CE1-SD 3.88Å; F304-M306 HydrophobicContact CZ-CG 4.3Å; M306-E325 HydrophobicContact CE-CB 4.24Å; M306-E325 HydrophobicContact CE-CG 4.21Å; M306-E325 WeakPolarHBondContact CE-OE2 3.39Å; M306-E325 PolarHBondContact N-O 3.04Å; M306-E325 PolarHBondContact O-N 2.98Å; M306-L327 HydrophobicContact CE-CD1 3.78Å; M306-Y357 HydrophobicContact CE-CE1 4.16Å; M306-F359 HydrophobicContact SD-CE1 3.69Å; M306-F359 HydrophobicContact SD-CZ 3.5Å; M306-F359 WeakPolarHBondContact SD-CZ 3.43Å |
| 307 | L | 87.3 | Confident | 78.4 | Confident | 38 Ų | 38 | 87 Ų | 87 | 20% | 0.199 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 119 | 171.8 | 173.8 | 59.7 | 0 | 0 | 0 | 109.1 | Y293 Y294 F309 R322 | Y293-L307 CarbonylContact C-O 3.25Å; Y293-L307 WeakPolarHBondContact CA-O 3.5Å; Y294-L307 PolarHBondContact N-O 3.26Å; Y294-L307 PolarHBondContact O-N 2.81Å; L307-F309 PolarHBondContact O-N 3.3Å; L307-R322 HydrophobicContact CD1-CB 4.45Å; L307-R322 HydrophobicContact CD1-CG 4.48Å |
| 308 | Q | 86.1 | Confident | 76.5 | Confident | 119 Ų | 119 | 95.8 Ų | 95.8 | 56% | 0.556 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 117.6 | 176.4 | -161 | -172.6 | 29.6 | 0 | 0 | 109.2 | T291 Y293 | T291-Q308 HydrophobicContact CG2-CG 4.02Å; Y293-Q308 HydrophobicContact CD1-CB 3.88Å; Y293-Q308 HydrophobicContact CD1-CG 4.33Å; Y293-Q308 HydrophobicContact CE1-CB 3.65Å; Y293-Q308 HydrophobicContact CE1-CG 3.94Å |
| 309 | F | 76.7 | Confident | 74.7 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 26% | 0.259 | 47% | 0.474 | S | S | . | . | trans | -144.2 | 124.4 | -174.2 | -170.4 | -105.9 | 0 | 0 | 0 | 113.5 | Y277 K292 L307 Q311 F316 | Y277-F309 HydrophobicContact CE1-CD1 4.03Å; Y277-F309 WeakPolarHBondContact OH-CD1 3.28Å; K292-F309 PolarHBondContact O-N 2.69Å; L307-F309 PolarHBondContact O-N 3.3Å; F309-Q311 HydrophobicContact CD1-CG 4.17Å; F309-Q311 HydrophobicContact CE1-CG 3.75Å; F309-F316 HydrophobicContact CD2-CD2 4.31Å; F309-F316 AromaticContact CD2-CE2 3.79Å; F309-F316 HydrophobicContact CD2-CE2 3.79Å; F309-F316 AromaticContact CD2-CZ 3.91Å; F309-F316 HydrophobicContact CD2-CZ 3.91Å; F309-F316 AromaticContact CE2-CD2 3.74Å; F309-F316 HydrophobicContact CE2-CD2 3.74Å; F309-F316 AromaticContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CG 4.36Å; F309-F316 HydrophobicContact CE2-CZ 4.18Å | ||
| 310 | N | 73.9 | Confident | 73.1 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | trans | -116.9 | 117.9 | 175.1 | -175.1 | -3.1 | 0 | 0 | 0 | 110.2 | M312 N313 | N310-M312 PolarHBondContact O-N 3.13Å; N310-M312 PolarHBondContact OD1-N 3.12Å; N310-N313 PolarHBondContact O-N 2.73Å | ||
| 311 | Q | 73.4 | Confident | 71.5 | Confident | 114 Ų | 114 | 95.9 Ų | 95.9 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.2 | -175.4 | -68 | 163.1 | -72.5 | 0 | 0 | 113.9 | F309 | F309-Q311 HydrophobicContact CD1-CG 4.17Å; F309-Q311 HydrophobicContact CE1-CG 3.75Å |
| 312 | M | 76.2 | Confident | 70.2 | Confident | 159 Ų | 159 | 95.3 Ų | 95.3 | 78% | 0.783 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -1.6 | -178.5 | -125.6 | 75.6 | 99.7 | 0 | 0 | 114.2 | N310 | N310-M312 PolarHBondContact O-N 3.13Å; N310-M312 PolarHBondContact OD1-N 3.12Å |
| 313 | N | 65 | Low | 68.8 | Low | 82 Ų | 82 | 98.3 Ų | 98.3 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | trans | -102.1 | 97.2 | -174 | -166.3 | 10 | 0 | 0 | 0 | 110.6 | N310 N315 F316 | N310-N313 PolarHBondContact O-N 2.73Å; N313-N315 PolarHBondContact O-N 2.68Å; N313-F316 HydrophobicContact CB-CE2 4.21Å; N313-F316 WeakPolarHBondContact O-CD2 3.36Å | ||
| 314 | H | 60.6 | Low | 67.9 | Low | 167 Ų | 167 | 99.3 Ų | 99.3 | 77% | 0.773 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.7 | -172.2 | -69.1 | -84.5 | 0 | 0 | 0 | 114.9 | F316 | H314-F316 PolarHBondContact O-N 2.84Š|
| 315 | N | 58.2 | Low | 67.4 | Low | 131 Ų | 131 | 102.2 Ų | 102.2 | 70% | 0.701 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 22 | -172.9 | -66.6 | -1.2 | 0 | 0 | 0 | 115 | N313 T317 | N313-N315 PolarHBondContact O-N 2.68Å; N315-T317 PolarHBondContact O-N 3.08Å |
| 316 | F | 55.4 | Low | 67.2 | Low | 93 Ų | 93 | 107.8 Ų | 107.8 | 41% | 0.408 | 54% | 0.539 | S | S | . | . | trans | -81.4 | 55.2 | 177.2 | -78.5 | -67.5 | 0 | 0 | 0 | 112.8 | F309 N313 H314 | F309-F316 HydrophobicContact CD2-CD2 4.31Å; F309-F316 AromaticContact CD2-CE2 3.79Å; F309-F316 HydrophobicContact CD2-CE2 3.79Å; F309-F316 AromaticContact CD2-CZ 3.91Å; F309-F316 HydrophobicContact CD2-CZ 3.91Å; F309-F316 AromaticContact CE2-CD2 3.74Å; F309-F316 HydrophobicContact CE2-CD2 3.74Å; F309-F316 AromaticContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CE2 3.65Å; F309-F316 HydrophobicContact CE2-CG 4.36Å; F309-F316 HydrophobicContact CE2-CZ 4.18Å; N313-F316 HydrophobicContact CB-CE2 4.21Å; N313-F316 WeakPolarHBondContact O-CD2 3.36Å; H314-F316 PolarHBondContact O-N 2.84Å | ||
| 317 | T | 49.2 | Very low | 67.2 | Low | 127 Ų | 127 | 108 Ų | 108 | 78% | 0.779 | 54% | 0.541 | S | S | * | . | trans | -99.3 | 14 | -173 | 47 | 0 | 0 | 0 | 0 | 115.6 | N315 | N315-T317 PolarHBondContact O-N 3.08Š| ||
| 318 | R | 49.2 | Very low | 67.4 | Low | 185 Ų | 185 | 108 Ų | 108 | 70% | 0.698 | 54% | 0.542 | S | S | * | . | trans | -128.8 | 134 | 165.6 | -86.9 | -166.3 | 178 | -138.8 | 5 | 112.5 | E320 | R318-E320 WeakPolarHBondContact CD-OE2 3.37Å; R318-E320 IonicContact CZ-OE2 3.09Å; R318-E320 IonicContact NE-OE2 2.71Å; R318-E320 IonicContact NH1-OE2 3.67Å; R318-E320 PolarHBondContact NH1-OE2 2.83Å | ||
| 319 | P | 49.7 | Very low | 67.6 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -73.7 | -23 | 170.4 | -18.9 | 32.7 | 0 | 0 | 0 | 114.6 | A321 | P319-A321 PolarHBondContact O-N 3Š|
| 320 | E | 53.1 | Low | 68.1 | Low | 142 Ų | 142 | 106.3 Ų | 106.3 | 66% | 0.664 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -82.9 | -3.4 | -151.2 | -59.5 | 165.3 | 144.9 | 0 | 0 | 116.2 | R318 | R318-E320 WeakPolarHBondContact CD-OE2 3.37Å; R318-E320 IonicContact CZ-OE2 3.09Å; R318-E320 IonicContact NE-OE2 2.71Å; R318-E320 IonicContact NH1-OE2 3.67Å; R318-E320 PolarHBondContact NH1-OE2 2.83Å |
| 321 | A | 47.7 | Very low | 68.7 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | trans | -135.8 | 58.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P319 | P319-A321 PolarHBondContact O-N 3Š| ||
| 322 | R | 58.5 | Low | 69.4 | Low | 132 Ų | 132 | 98.2 Ų | 98.2 | 50% | 0.498 | 50% | 0.497 | S | S | . | . | trans | -109.5 | 93 | 172.2 | -67.4 | -172.4 | -175.9 | -177.3 | 3.4 | 110.1 | L307 D324 | L307-R322 HydrophobicContact CD1-CB 4.45Å; L307-R322 HydrophobicContact CD1-CG 4.48Å; R322-D324 PolarHBondContact O-N 2.89Å | ||
| 323 | D | 59.8 | Low | 69.7 | Low | 160 Ų | 160 | 96.4 Ų | 96.4 | 86% | 0.856 | 49% | 0.486 | S | S | * | . | trans | -72.7 | 78.2 | 166.8 | -68 | -36.1 | 0 | 0 | 0 | 109.5 | E325 | D323-E325 PolarHBondContact O-N 3.38Š| ||
| 324 | D | 71.2 | Confident | 70.3 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 35% | 0.348 | 49% | 0.489 | S | S | . | . | trans | -60.5 | 104.1 | 165.3 | -78.1 | -9.6 | 0 | 0 | 0 | 107.9 | R322 K326 | R322-D324 PolarHBondContact O-N 2.89Å; D324-K326 WeakPolarHBondContact O-CG 3.35Å; D324-K326 PolarHBondContact O-N 2.89Å; D324-K326 VanDerWaalsContact O-N 3.1Å | ||
| 325 | E | 82 | Confident | 71.1 | Confident | 62 Ų | 62 | 94 Ų | 94 | 29% | 0.29 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 110.1 | 177.3 | -169.4 | -178.2 | -171.7 | 0 | 0 | 108.9 | T305 M306 D323 L327 K352 | T305-E325 CarbonylContact C-O 3.54Å; T305-E325 WeakPolarHBondContact CA-O 3.49Å; M306-E325 HydrophobicContact CE-CB 4.24Å; M306-E325 HydrophobicContact CE-CG 4.21Å; M306-E325 WeakPolarHBondContact CE-OE2 3.39Å; M306-E325 PolarHBondContact N-O 3.04Å; M306-E325 PolarHBondContact O-N 2.98Å; D323-E325 PolarHBondContact O-N 3.38Å; E325-L327 HydrophobicContact CG-CD1 4.33Å; E325-L327 HydrophobicContact CG-CD2 4.25Å; E325-L327 HydrophobicContact CG-CG 4.1Å; E325-K352 IonicContact OE1-NZ 2.71Å; E325-K352 PolarHBondContact OE1-NZ 3.2Å |
| 326 | K | 87.8 | Confident | 71.2 | Confident | 132 Ų | 132 | 91.1 Ų | 91.1 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | -179.8 | -52.3 | -177.1 | -173.9 | 164.4 | 0 | 109.4 | F304 T305 D324 | F304-K326 WeakPolarHBondContact O-CA 3.44Å; T305-K326 HydrophobicContact CG2-CB 4.38Å; T305-K326 HydrophobicContact CG2-CD 4.42Å; T305-K326 HydrophobicContact CG2-CG 3.88Å; D324-K326 WeakPolarHBondContact O-CG 3.35Å; D324-K326 PolarHBondContact O-N 2.89Å; D324-K326 VanDerWaalsContact O-N 3.1Å |
| 327 | L | 90.6 | Very high | 71.4 | Confident | 9 Ų | 9 | 92.3 Ų | 92.3 | 5% | 0.047 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.7 | -176.6 | -60 | 176.4 | 0 | 0 | 0 | 110.2 | F304 M306 E325 F349 E351 | F304-L327 PolarHBondContact N-O 3.08Å; F304-L327 PolarHBondContact O-N 2.68Å; F304-L327 VanDerWaalsContact O-O 3.12Å; M306-L327 HydrophobicContact CE-CD1 3.78Å; E325-L327 HydrophobicContact CG-CD1 4.33Å; E325-L327 HydrophobicContact CG-CD2 4.25Å; E325-L327 HydrophobicContact CG-CG 4.1Å; L327-F349 HydrophobicContact CB-CB 3.94Å; L327-F349 HydrophobicContact CB-CD1 3.44Å; L327-F349 VanDerWaalsContact CB-CD1 3.44Å; L327-F349 HydrophobicContact CB-CD2 4.37Å; L327-F349 HydrophobicContact CB-CE1 4Å; L327-F349 HydrophobicContact CB-CG 3.66Å; L327-F349 HydrophobicContact CD1-CB 4.16Å; L327-F349 HydrophobicContact CD1-CD1 4.1Å; L327-F349 HydrophobicContact CD1-CD2 3.49Å; L327-F349 VanDerWaalsContact CD1-CD2 3.49Å; L327-F349 HydrophobicContact CD1-CE1 4.4Å; L327-F349 HydrophobicContact CD1-CE2 3.81Å; L327-F349 HydrophobicContact CD1-CG 3.65Å; L327-F349 HydrophobicContact CD1-CZ 4.25Å; L327-F349 HydrophobicContact CG-CB 4.49Å; L327-F349 HydrophobicContact CG-CD1 4.42Å; L327-F349 HydrophobicContact CG-CG 4.24Å; L327-E351 HydrophobicContact CD2-CB 4.07Å; L327-E351 HydrophobicContact CD2-CG 4.33Å |
| 328 | T | 91 | Very high | 72 | Confident | 38 Ų | 38 | 95.3 Ų | 95.3 | 23% | 0.233 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.9 | 176.3 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | R302 F330 F349 K350 E351 | R302-T328 HydrophobicContact CB-CG2 4.25Å; T328-F330 PolarHBondContact O-N 2.75Å; T328-F349 WeakPolarHBondContact O-CA 3.37Å; T328-K350 HydrophobicContact CG2-CD 3.77Å; T328-K350 HydrophobicContact CG2-CG 4.29Å; T328-K350 PolarHBondContact O-N 3.09Å; T328-E351 WeakPolarHBondContact CB-OE1 3.45Å; T328-E351 PolarHBondContact N-OE1 3.2Å; T328-E351 PolarHBondContact N-OE2 3.26Å; T328-E351 PolarHBondContact OG1-OE1 2.91Å |
| 329 | L | 89.8 | Confident | 73.1 | Confident | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 125.3 | 179.7 | -178.9 | 73 | 0 | 0 | 0 | 111.3 | F297 R302 L347 F349 M374 | F297-L329 HydrophobicContact CE2-CB 3.86Å; F297-L329 HydrophobicContact CE2-CD2 3.72Å; F297-L329 HydrophobicContact CE2-CG 4.43Å; F297-L329 HydrophobicContact CZ-CD2 3.75Å; R302-L329 HydrophobicContact CB-CB 4.36Å; R302-L329 PolarHBondContact O-N 3.4Å; L329-L347 HydrophobicContact CD1-CB 4.18Å; L329-L347 HydrophobicContact CD1-CD1 4.39Å; L329-L347 HydrophobicContact CD1-CD2 3.94Å; L329-L347 HydrophobicContact CD1-CG 4.4Å; L329-F349 HydrophobicContact CD1-CE1 4.17Å; L329-M374 HydrophobicContact CD1-SD 4.18Å; L329-M374 HydrophobicContact CD2-CB 3.66Å; L329-M374 HydrophobicContact CD2-CG 3.91Å; L329-M374 HydrophobicContact CD2-SD 3.92Å |
| 330 | F | 87.8 | Confident | 74.2 | Confident | 139 Ų | 139 | 91.9 Ų | 91.9 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -55.1 | 172.6 | -175.2 | -98.3 | 0 | 0 | 0 | 111 | T328 T348 K350 | T328-F330 PolarHBondContact O-N 2.75Å; F330-T348 WeakPolarHBondContact CD1-OG1 3.19Å; F330-T348 PolarHBondContact N-O 2.8Å; F330-K350 HydrophobicContact CB-CG 4.22Å; F330-K350 HydrophobicContact CD2-CG 4.14Å |
| 331 | S | 86.9 | Confident | 75.6 | Confident | 29 Ų | 29 | 88.5 Ų | 88.5 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147 | 175.6 | 73.6 | 0 | 0 | 0 | 0 | 113.1 | L347 T348 | S331-L347 WeakPolarHBondContact O-CA 3.43Å; S331-T348 PolarHBondContact N-O 2.66Å; S331-T348 PolarHBondContact N-OG1 3.45Å; S331-T348 PolarHBondContact O-N 3.23Å; S331-T348 PolarHBondContact OG-OG1 3.02Å |
| 332 | C | 87.8 | Confident | 77.5 | Confident | 11 Ų | 11 | 93.1 Ų | 93.1 | 7% | 0.074 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.5 | 165.1 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | L347 M374 | C332-L347 HydrophobicContact CB-CD2 3.57Å; C332-M374 HydrophobicContact CB-CB 3.71Å |
| 333 | Q | 82.3 | Confident | 78.9 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | -178.6 | -65.9 | -176.8 | -5 | 0 | 0 | 111.3 | F345 D346 | Q333-F345 WeakPolarHBondContact O-CA 3.39Å; Q333-F345 WeakPolarHBondContact O-CB 3.4Å; Q333-D346 PolarHBondContact N-O 3.22Å; Q333-D346 PolarHBondContact O-N 2.88Å |
| 334 | R | 78.7 | Confident | 80.4 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 50% | 0.502 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.4 | 171.8 | -177.7 | 176.1 | 171.3 | -175.2 | -7.4 | 109 | I371 E378 | R334-I371 HydrophobicContact CB-CD1 4.01Å; R334-I371 HydrophobicContact CG-CD1 4.16Å; R334-E378 WeakPolarHBondContact CD-OE2 3.48Å; R334-E378 IonicContact CZ-OE1 2.65Å; R334-E378 IonicContact CZ-OE2 2.63Å; R334-E378 IonicContact NE-OE2 3.44Å; R334-E378 IonicContact NH1-OE1 3.65Å; R334-E378 PolarHBondContact NH1-OE1 3.46Å; R334-E378 IonicContact NH1-OE2 2.65Å; R334-E378 PolarHBondContact NH1-OE2 2.96Å |
| 335 | R | 75.6 | Confident | 81.3 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 144.2 | 173 | -175.1 | 168.5 | -72.9 | -170.3 | -5 | 110.5 | F339 D346 T358 | R335-F339 HydrophobicContact CG-CB 4Å; R335-F339 HydrophobicContact CG-CG 4.32Å; R335-D346 IonicContact CZ-OD1 3.17Å; R335-D346 IonicContact CZ-OD2 3.89Å; R335-D346 IonicContact NE-OD1 3.26Å; R335-D346 IonicContact NE-OD2 3.5Å; R335-D346 PolarHBondContact NE-OD2 3.2Å; R335-D346 IonicContact NH2-OD1 2.76Å; R335-D346 PolarHBondContact NH2-OD1 2.71Å; R335-D346 IonicContact NH2-OD2 2.63Å; R335-D346 PolarHBondContact NH2-OD2 2.71Å; R335-T358 PolarHBondContact NH2-OG1 3.02Å |
| 336 | A | 61.5 | Low | 81.8 | Confident | 70 Ų | 70 | 76.6 Ų | 76.6 | 58% | 0.579 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 154.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E338 F339 | A336-E338 PolarHBondContact O-N 2.99Å; A336-E338 VanDerWaalsContact O-N 3.11Å; A336-F339 PolarHBondContact O-N 2.91Å |
| 337 | S | 60 | Low | 81.9 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8.5 | -169.9 | -145.3 | 0 | 0 | 0 | 0 | 115.1 | F339 | S337-F339 VanDerWaalsContact C-N 3.27Å; S337-F339 PolarHBondContact O-N 2.75Å |
| 338 | E | 61.2 | Low | 81.9 | Confident | 191 Ų | 191 | 71 Ų | 71 | 89% | 0.893 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -6.7 | 179.4 | -61.4 | 175.8 | 164.8 | 0 | 0 | 113.2 | A336 | A336-E338 PolarHBondContact O-N 2.99Å; A336-E338 VanDerWaalsContact O-N 3.11Å |
| 339 | F | 72.1 | Confident | 82 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -75.8 | 130.6 | -179.3 | -168.9 | -111 | 0 | 0 | 0 | 112.5 | M281 W290 R335 A336 S337 K341 C344 T358 | M281-F339 HydrophobicContact SD-CZ 3.94Å; W290-F339 HydrophobicContact CH2-CE1 4.06Å; W290-F339 AromaticContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CE1 3.92Å; W290-F339 HydrophobicContact CZ2-CZ 4.17Å; R335-F339 HydrophobicContact CG-CB 4Å; R335-F339 HydrophobicContact CG-CG 4.32Å; A336-F339 PolarHBondContact O-N 2.91Å; S337-F339 VanDerWaalsContact C-N 3.27Å; S337-F339 PolarHBondContact O-N 2.75Å; F339-K341 HydrophobicContact CD1-CB 4.26Å; F339-K341 HydrophobicContact CE1-CB 4.04Å; F339-K341 HydrophobicContact CE1-CG 4.48Å; F339-K341 PolarHBondContact O-N 3.45Å; F339-C344 HydrophobicContact CD1-CB 3.87Å; F339-C344 HydrophobicContact CE1-CB 4.17Å; F339-T358 HydrophobicContact CE1-CG2 4.48Å |
| 340 | E | 73.8 | Confident | 81.9 | Confident | 155 Ų | 155 | 75.4 Ų | 75.4 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -51.6 | -28.5 | -171.7 | -162 | -135.9 | 132.2 | 0 | 0 | 115.1 | ||
| 341 | K | 82.2 | Confident | 81.9 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -105.2 | 121 | 178.9 | -60.2 | -48.3 | -174.2 | -156.9 | 0 | 111.5 | W290 F339 C344 | W290-K341 HydrophobicContact CH2-CB 4.47Å; W290-K341 HydrophobicContact CZ2-CB 4.12Å; W290-K341 HydrophobicContact CZ2-CG 3.76Å; F339-K341 HydrophobicContact CD1-CB 4.26Å; F339-K341 HydrophobicContact CE1-CB 4.04Å; F339-K341 HydrophobicContact CE1-CG 4.48Å; F339-K341 PolarHBondContact O-N 3.45Å; K341-C344 PolarHBondContact O-SG 3.03Å |
| 342 | R | 86.8 | Confident | 81.9 | Confident | 189 Ų | 189 | 75.4 Ų | 75.4 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 151.9 | 172.9 | -60.9 | -170 | -64.2 | -178.4 | -1.4 | 111.9 | C344 Q360 | R342-C344 VanDerWaalsContact C-N 3.31Å; R342-C344 PolarHBondContact O-N 2.68Å; R342-Q360 PolarHBondContact O-NE2 3.17Å |
| 343 | F | 89.1 | Confident | 81.5 | Confident | 49 Ų | 49 | 80.1 Ų | 80.1 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 29.6 | 171 | -40.2 | -42.4 | 0 | 0 | 0 | 114.7 | Q360 A361 E364 H367 | F343-Q360 WeakPolarHBondContact O-CA 3.25Å; F343-A361 HydrophobicContact CB-CB 4.34Å; F343-A361 PolarHBondContact O-N 3.15Å; F343-E364 HydrophobicContact CD1-CB 4.02Å; F343-E364 HydrophobicContact CE1-CB 3.57Å; F343-E364 HydrophobicContact CE1-CG 4.25Å; F343-E364 HydrophobicContact CZ-CB 4.22Å; F343-H367 VanDerWaalsContact C-CD2 3.41Å; F343-H367 HydrophobicContact CB-CB 4.12Å; F343-H367 PolarHBondContact O-CD2 2.76Å |
| 344 | C | 90.7 | Very high | 81.4 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 147.5 | 176.1 | -65.8 | 0 | 0 | 0 | 0 | 113 | F339 K341 R342 T358 F359 H367 | F339-C344 HydrophobicContact CD1-CB 3.87Å; F339-C344 HydrophobicContact CE1-CB 4.17Å; K341-C344 PolarHBondContact O-SG 3.03Å; R342-C344 VanDerWaalsContact C-N 3.31Å; R342-C344 PolarHBondContact O-N 2.68Å; C344-T358 HydrophobicContact CB-CG2 4.19Å; C344-F359 CarbonylContact C-O 3.56Å; C344-F359 VanDerWaalsContact CA-O 3.23Å; C344-F359 WeakPolarHBondContact CA-O 3.46Å; C344-H367 PolarHBondContact O-NE2 3.26Å |
| 345 | F | 90.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.3 | 174.4 | 62.4 | -72.4 | 0 | 0 | 0 | 109.2 | L278 Q333 L347 F359 A361 H367 W370 I371 M374 | L278-F345 HydrophobicContact CD1-CZ 3.78Å; L278-F345 HydrophobicContact CD2-CE1 3.77Å; L278-F345 HydrophobicContact CD2-CZ 3.77Å; L278-F345 HydrophobicContact CG-CZ 4.45Å; Q333-F345 WeakPolarHBondContact O-CA 3.39Å; Q333-F345 WeakPolarHBondContact O-CB 3.4Å; F345-L347 HydrophobicContact CD2-CD2 3.74Å; F345-L347 HydrophobicContact CD2-CG 4.17Å; F345-L347 HydrophobicContact CE2-CD1 4.14Å; F345-L347 HydrophobicContact CE2-CD2 3.81Å; F345-L347 HydrophobicContact CE2-CG 4.03Å; F345-F359 HydrophobicContact CD1-CB 4.29Å; F345-F359 WeakPolarHBondContact CD1-O 3.21Å; F345-F359 HydrophobicContact CE1-CB 3.79Å; F345-F359 HydrophobicContact CE2-CB 4.26Å; F345-F359 HydrophobicContact CZ-CB 3.78Å; F345-F359 PolarHBondContact N-O 3.3Å; F345-F359 PolarHBondContact O-N 3.44Å; F345-A361 HydrophobicContact CE1-CB 4.11Å; F345-H367 AromaticContact CD1-CD2 3.73Å; F345-W370 HydrophobicContact CE1-CB 4.23Å; F345-W370 HydrophobicContact CE1-CG 4.5Å; F345-W370 HydrophobicContact CE2-CB 4.11Å; F345-W370 HydrophobicContact CZ-CB 3.71Å; F345-W370 AromaticContact CZ-CG 3.96Å; F345-W370 HydrophobicContact CZ-CG 3.96Å; F345-I371 HydrophobicContact CB-CD1 4.31Å; F345-I371 HydrophobicContact CB-CG1 4.29Å; F345-I371 HydrophobicContact CG-CG1 4.48Å; F345-M374 HydrophobicContact CE2-CE 4.07Å |
| 346 | D | 90.9 | Very high | 82.4 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 9% | 0.086 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.7 | -173.9 | -78.1 | -50.1 | 0 | 0 | 0 | 110.5 | Q333 R335 V356 T358 | Q333-D346 PolarHBondContact N-O 3.22Å; Q333-D346 PolarHBondContact O-N 2.88Å; R335-D346 IonicContact CZ-OD1 3.17Å; R335-D346 IonicContact CZ-OD2 3.89Å; R335-D346 IonicContact NE-OD1 3.26Å; R335-D346 IonicContact NE-OD2 3.5Å; R335-D346 PolarHBondContact NE-OD2 3.2Å; R335-D346 IonicContact NH2-OD1 2.76Å; R335-D346 PolarHBondContact NH2-OD1 2.71Å; R335-D346 IonicContact NH2-OD2 2.63Å; R335-D346 PolarHBondContact NH2-OD2 2.71Å; D346-V356 HydrophobicContact CB-CG1 3.62Å; D346-T358 VanDerWaalsContact OD1-CA 3.25Å; D346-T358 WeakPolarHBondContact OD1-CA 3.38Å; D346-T358 VanDerWaalsContact OD1-CB 3.25Å; D346-T358 WeakPolarHBondContact OD1-CB 3.37Å; D346-T358 PolarHBondContact OD1-OG1 3.25Å |
| 347 | L | 91.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.7 | 174.1 | -55.7 | -173 | 0 | 0 | 0 | 110.4 | F304 L329 S331 C332 F345 F349 Y357 F359 M374 | F304-L347 HydrophobicContact CE1-CD1 4.17Å; F304-L347 HydrophobicContact CE2-CD1 4.17Å; F304-L347 HydrophobicContact CZ-CD1 3.93Å; L329-L347 HydrophobicContact CD1-CB 4.18Å; L329-L347 HydrophobicContact CD1-CD1 4.39Å; L329-L347 HydrophobicContact CD1-CD2 3.94Å; L329-L347 HydrophobicContact CD1-CG 4.4Å; S331-L347 WeakPolarHBondContact O-CA 3.43Å; C332-L347 HydrophobicContact CB-CD2 3.57Å; F345-L347 HydrophobicContact CD2-CD2 3.74Å; F345-L347 HydrophobicContact CD2-CG 4.17Å; F345-L347 HydrophobicContact CE2-CD1 4.14Å; F345-L347 HydrophobicContact CE2-CD2 3.81Å; F345-L347 HydrophobicContact CE2-CG 4.03Å; L347-F349 HydrophobicContact CB-CE1 4.41Å; L347-F349 HydrophobicContact CB-CE2 4.01Å; L347-F349 HydrophobicContact CB-CZ 3.76Å; L347-F349 HydrophobicContact CD1-CE1 4.42Å; L347-F349 HydrophobicContact CD1-CZ 3.85Å; L347-F349 HydrophobicContact CG-CZ 4.47Å; L347-Y357 PolarHBondContact N-O 3.15Å; L347-Y357 PolarHBondContact O-N 3.2Å; L347-F359 HydrophobicContact CB-CD2 4.2Å; L347-F359 HydrophobicContact CB-CE2 4Å; L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.6Å; L347-F359 HydrophobicContact CD1-CZ 4.49Å; L347-F359 HydrophobicContact CG-CD2 3.74Å; L347-F359 HydrophobicContact CG-CE2 3.91Å; L347-M374 HydrophobicContact CD1-CE 3.85Å; L347-M374 HydrophobicContact CD1-SD 3.66Å; L347-M374 HydrophobicContact CD2-CE 4.48Å; L347-M374 HydrophobicContact CD2-SD 3.59Å; L347-M374 VanDerWaalsContact CD2-SD 3.59Å; L347-M374 HydrophobicContact CG-SD 4.31Å |
| 348 | T | 90.6 | Very high | 85.3 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.6 | 166.1 | 68.1 | 0 | 0 | 0 | 0 | 109.6 | F330 S331 V356 | F330-T348 WeakPolarHBondContact CD1-OG1 3.19Å; F330-T348 PolarHBondContact N-O 2.8Å; S331-T348 PolarHBondContact N-O 2.66Å; S331-T348 PolarHBondContact N-OG1 3.45Å; S331-T348 PolarHBondContact O-N 3.23Å; S331-T348 PolarHBondContact OG-OG1 3.02Å; T348-V356 HydrophobicContact CG2-CG2 4.18Å |
| 349 | F | 91.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.9 | -172.3 | -59.6 | -73 | 0 | 0 | 0 | 111.2 | F304 L327 T328 L329 L347 E351 K352 Y357 F359 | F304-F349 HydrophobicContact CB-CE1 3.86Å; F304-F349 AromaticContact CD1-CE1 3.55Å; F304-F349 HydrophobicContact CD1-CE1 3.55Å; F304-F349 AromaticContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CD1-CZ 3.48Å; F304-F349 VanDerWaalsContact CD1-CZ 3.48Å; F304-F349 HydrophobicContact CE1-CE1 4.33Å; F304-F349 AromaticContact CE1-CZ 3.82Å; F304-F349 HydrophobicContact CE1-CZ 3.82Å; F304-F349 AromaticContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CE1 3.92Å; F304-F349 HydrophobicContact CG-CZ 4.24Å; L327-F349 HydrophobicContact CB-CB 3.94Å; L327-F349 HydrophobicContact CB-CD1 3.44Å; L327-F349 VanDerWaalsContact CB-CD1 3.44Å; L327-F349 HydrophobicContact CB-CD2 4.37Å; L327-F349 HydrophobicContact CB-CE1 4Å; L327-F349 HydrophobicContact CB-CG 3.66Å; L327-F349 HydrophobicContact CD1-CB 4.16Å; L327-F349 HydrophobicContact CD1-CD1 4.1Å; L327-F349 HydrophobicContact CD1-CD2 3.49Å; L327-F349 VanDerWaalsContact CD1-CD2 3.49Å; L327-F349 HydrophobicContact CD1-CE1 4.4Å; L327-F349 HydrophobicContact CD1-CE2 3.81Å; L327-F349 HydrophobicContact CD1-CG 3.65Å; L327-F349 HydrophobicContact CD1-CZ 4.25Å; L327-F349 HydrophobicContact CG-CB 4.49Å; L327-F349 HydrophobicContact CG-CD1 4.42Å; L327-F349 HydrophobicContact CG-CG 4.24Å; T328-F349 WeakPolarHBondContact O-CA 3.37Å; L329-F349 HydrophobicContact CD1-CE1 4.17Å; L347-F349 HydrophobicContact CB-CE1 4.41Å; L347-F349 HydrophobicContact CB-CE2 4.01Å; L347-F349 HydrophobicContact CB-CZ 3.76Å; L347-F349 HydrophobicContact CD1-CE1 4.42Å; L347-F349 HydrophobicContact CD1-CZ 3.85Å; L347-F349 HydrophobicContact CG-CZ 4.47Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 PolarHBondContact O-N 2.87Å; F349-K352 CarbonylContact O-C 3.57Å; F349-K352 PolarHBondContact O-N 3.04Å; F349-Y357 AromaticContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CE2 4.08Å; F349-Y357 HydrophobicContact CD2-CG 4.18Å; F349-Y357 HydrophobicContact CE2-CD1 4.16Å; F349-Y357 AromaticContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CE2 4.44Å; F349-Y357 AromaticContact CE2-CG 3.78Å; F349-Y357 HydrophobicContact CE2-CG 3.78Å; F349-F359 HydrophobicContact CE2-CE2 4.32Å; F349-F359 HydrophobicContact CZ-CE2 4.27Å |
| 350 | K | 89 | Confident | 87.8 | Confident | 130 Ų | 130 | 58.6 Ų | 58.6 | 57% | 0.565 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -32.5 | -175.9 | -68.3 | -172.4 | -178.2 | 179.8 | 0 | 113.1 | T328 F330 K352 | T328-K350 HydrophobicContact CG2-CD 3.77Å; T328-K350 HydrophobicContact CG2-CG 4.29Å; T328-K350 PolarHBondContact O-N 3.09Å; F330-K350 HydrophobicContact CB-CG 4.22Å; F330-K350 HydrophobicContact CD2-CG 4.14Å; K350-K352 VanDerWaalsContact C-N 3.27Å; K350-K352 PolarHBondContact O-N 3.34Å |
| 351 | E | 87.4 | Confident | 88.7 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -17.2 | -178.1 | -57.2 | 75.8 | -168 | 0 | 0 | 112.3 | L327 T328 F349 | L327-E351 HydrophobicContact CD2-CB 4.07Å; L327-E351 HydrophobicContact CD2-CG 4.33Å; T328-E351 WeakPolarHBondContact CB-OE1 3.45Å; T328-E351 PolarHBondContact N-OE1 3.2Å; T328-E351 PolarHBondContact N-OE2 3.26Å; T328-E351 PolarHBondContact OG1-OE1 2.91Å; F349-E351 VanDerWaalsContact C-N 3.26Å; F349-E351 PolarHBondContact O-N 2.87Å |
| 352 | K | 85.9 | Confident | 89.1 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -134.9 | 61.1 | -176.2 | -67 | -179.7 | 175.2 | 176 | 0 | 110.8 | E325 F349 K350 V355 Y357 | E325-K352 IonicContact OE1-NZ 2.71Å; E325-K352 PolarHBondContact OE1-NZ 3.2Å; F349-K352 CarbonylContact O-C 3.57Å; F349-K352 PolarHBondContact O-N 3.04Å; K350-K352 VanDerWaalsContact C-N 3.27Å; K350-K352 PolarHBondContact O-N 3.34Å; K352-V355 HydrophobicContact CB-CB 4.2Å; K352-V355 HydrophobicContact CB-CG2 4.17Å; K352-V355 PolarHBondContact O-N 2.94Å; K352-V355 VanDerWaalsContact O-N 3.14Å; K352-Y357 HydrophobicContact CD-CE2 4.14Å; K352-Y357 WeakPolarHBondContact CD-OH 3.16Å; K352-Y357 PolarHBondContact NZ-OH 3.36Å; K352-Y357 VanDerWaalsContact NZ-OH 3.11Å |
| 353 | P | 81.2 | Confident | 89.2 | Confident | 110 Ų | 110 | 45.8 Ų | 45.8 | 71% | 0.714 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 140.1 | -178.7 | 27 | -34.9 | 0 | 0 | 0 | 111 | V355 | P353-V355 PolarHBondContact O-N 2.9Š|
| 354 | G | 79.6 | Confident | 89.2 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 81% | 0.814 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -13.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 355 | V | 88 | Confident | 88.9 | Confident | 71 Ų | 71 | 54 Ų | 54 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | trans | -89.4 | 117.6 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | K352 P353 Y357 | K352-V355 HydrophobicContact CB-CB 4.2Å; K352-V355 HydrophobicContact CB-CG2 4.17Å; K352-V355 PolarHBondContact O-N 2.94Å; K352-V355 VanDerWaalsContact O-N 3.14Å; P353-V355 PolarHBondContact O-N 2.9Å; V355-Y357 HydrophobicContact CB-CD2 4.42Å; V355-Y357 HydrophobicContact CB-CE2 4.1Å; V355-Y357 HydrophobicContact CG1-CD2 3.81Å; V355-Y357 HydrophobicContact CG1-CE2 3.51Å | ||
| 356 | V | 87.6 | Confident | 88.9 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | trans | -97.4 | 116.1 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | D346 T348 | D346-V356 HydrophobicContact CB-CG1 3.62Å; T348-V356 HydrophobicContact CG2-CG2 4.18Å | ||
| 357 | Y | 91.2 | Very high | 88.8 | Confident | 31 Ų | 31 | 55.1 Ų | 55.1 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.1 | 179.6 | -79.6 | -114.7 | 0 | 0 | 0 | 110.5 | L280 M306 L347 F349 K352 V355 F359 | L280-Y357 HydrophobicContact CD1-CD1 3.67Å; L280-Y357 HydrophobicContact CD1-CG 4.29Å; L280-Y357 HydrophobicContact CD2-CD1 3.85Å; L280-Y357 HydrophobicContact CD2-CE1 4.08Å; L280-Y357 HydrophobicContact CG-CD1 4.44Å; M306-Y357 HydrophobicContact CE-CE1 4.16Å; L347-Y357 PolarHBondContact N-O 3.15Å; L347-Y357 PolarHBondContact O-N 3.2Å; F349-Y357 AromaticContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CD2 3.82Å; F349-Y357 HydrophobicContact CD2-CE2 4.08Å; F349-Y357 HydrophobicContact CD2-CG 4.18Å; F349-Y357 HydrophobicContact CE2-CD1 4.16Å; F349-Y357 AromaticContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CD2 3.92Å; F349-Y357 HydrophobicContact CE2-CE2 4.44Å; F349-Y357 AromaticContact CE2-CG 3.78Å; F349-Y357 HydrophobicContact CE2-CG 3.78Å; K352-Y357 HydrophobicContact CD-CE2 4.14Å; K352-Y357 WeakPolarHBondContact CD-OH 3.16Å; K352-Y357 PolarHBondContact NZ-OH 3.36Å; K352-Y357 VanDerWaalsContact NZ-OH 3.11Å; V355-Y357 HydrophobicContact CB-CD2 4.42Å; V355-Y357 HydrophobicContact CB-CE2 4.1Å; V355-Y357 HydrophobicContact CG1-CD2 3.81Å; V355-Y357 HydrophobicContact CG1-CE2 3.51Å; Y357-F359 HydrophobicContact CD1-CE2 4.34Å; Y357-F359 HydrophobicContact CD1-CZ 4.15Å; Y357-F359 HydrophobicContact CG-CE2 4.38Å; Y357-F359 WeakPolarHBondContact O-CD2 3.39Å |
| 358 | T | 91.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 115.5 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | M281 W290 R335 F339 C344 D346 | M281-T358 PolarHBondContact N-O 3.15Å; W290-T358 HydrophobicContact CH2-CG2 4.05Å; R335-T358 PolarHBondContact NH2-OG1 3.02Å; F339-T358 HydrophobicContact CE1-CG2 4.48Å; C344-T358 HydrophobicContact CB-CG2 4.19Å; D346-T358 VanDerWaalsContact OD1-CA 3.25Å; D346-T358 WeakPolarHBondContact OD1-CA 3.38Å; D346-T358 VanDerWaalsContact OD1-CB 3.25Å; D346-T358 WeakPolarHBondContact OD1-CB 3.37Å; D346-T358 PolarHBondContact OD1-OG1 3.25Å |
| 359 | F | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145.5 | 173.8 | -65.2 | -89.4 | 0 | 0 | 0 | 111.6 | L278 F279 L280 F304 M306 C344 F345 L347 F349 Y357 | L278-F359 HydrophobicContact CB-CB 4.41Å; L278-F359 HydrophobicContact CB-CD1 3.85Å; L278-F359 HydrophobicContact CD1-CB 4.14Å; L278-F359 HydrophobicContact CD1-CD1 3.91Å; L278-F359 HydrophobicContact CD1-CG 4.11Å; L278-F359 HydrophobicContact CG-CD1 4.5Å; F279-F359 CarbonylContact O-C 3.37Å; F279-F359 VanDerWaalsContact O-CA 3.3Å; F279-F359 WeakPolarHBondContact O-CA 3.31Å; L280-F359 HydrophobicContact CB-CD1 4.05Å; L280-F359 HydrophobicContact CB-CE1 3.87Å; L280-F359 HydrophobicContact CD1-CD1 4.25Å; L280-F359 HydrophobicContact CD1-CE1 3.93Å; L280-F359 HydrophobicContact CD1-CE2 4.22Å; L280-F359 HydrophobicContact CD1-CZ 3.91Å; L280-F359 HydrophobicContact CD2-CE1 4.42Å; L280-F359 HydrophobicContact CG-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE1 4.28Å; F304-F359 HydrophobicContact CE1-CE2 4.32Å; F304-F359 AromaticContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CE1-CZ 3.81Å; F304-F359 HydrophobicContact CZ-CE1 4.35Å; F304-F359 HydrophobicContact CZ-CZ 4.18Å; M306-F359 HydrophobicContact SD-CE1 3.69Å; M306-F359 HydrophobicContact SD-CZ 3.5Å; M306-F359 WeakPolarHBondContact SD-CZ 3.43Å; C344-F359 CarbonylContact C-O 3.56Å; C344-F359 VanDerWaalsContact CA-O 3.23Å; C344-F359 WeakPolarHBondContact CA-O 3.46Å; F345-F359 HydrophobicContact CD1-CB 4.29Å; F345-F359 WeakPolarHBondContact CD1-O 3.21Å; F345-F359 HydrophobicContact CE1-CB 3.79Å; F345-F359 HydrophobicContact CE2-CB 4.26Å; F345-F359 HydrophobicContact CZ-CB 3.78Å; F345-F359 PolarHBondContact N-O 3.3Å; F345-F359 PolarHBondContact O-N 3.44Å; L347-F359 HydrophobicContact CB-CD2 4.2Å; L347-F359 HydrophobicContact CB-CE2 4Å; L347-F359 HydrophobicContact CD1-CD2 3.67Å; L347-F359 HydrophobicContact CD1-CE2 3.6Å; L347-F359 HydrophobicContact CD1-CZ 4.49Å; L347-F359 HydrophobicContact CG-CD2 3.74Å; L347-F359 HydrophobicContact CG-CE2 3.91Å; F349-F359 HydrophobicContact CE2-CE2 4.32Å; F349-F359 HydrophobicContact CZ-CE2 4.27Å; Y357-F359 HydrophobicContact CD1-CE2 4.34Å; Y357-F359 HydrophobicContact CD1-CZ 4.15Å; Y357-F359 HydrophobicContact CG-CE2 4.38Å; Y357-F359 WeakPolarHBondContact O-CD2 3.39Å |
| 360 | Q | 92.6 | Very high | 88.3 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.1 | 168.9 | 170.4 | 172.8 | 59.2 | 0 | 0 | 110 | L278 F279 W290 R342 F343 | L278-Q360 WeakPolarHBondContact CA-O 3.4Å; L278-Q360 WeakPolarHBondContact CD2-O 3.49Å; F279-Q360 HydrophobicContact CB-CB 4.29Å; F279-Q360 PolarHBondContact N-O 3.03Å; F279-Q360 PolarHBondContact O-N 3.39Å; W290-Q360 HydrophobicContact CE3-CB 4.1Å; W290-Q360 HydrophobicContact CH2-CB 4.26Å; W290-Q360 HydrophobicContact CZ3-CB 3.58Å; R342-Q360 PolarHBondContact O-NE2 3.17Å; F343-Q360 WeakPolarHBondContact O-CA 3.25Å |
| 361 | A | 92.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 32% | 0.32 | C | S | . | . | trans | -85.7 | 160.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L278 F343 F345 S363 D366 H367 | L278-A361 HydrophobicContact CD2-CB 4.07Å; F343-A361 HydrophobicContact CB-CB 4.34Å; F343-A361 PolarHBondContact O-N 3.15Å; F345-A361 HydrophobicContact CE1-CB 4.11Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.96Å; A361-D366 HydrophobicContact CB-CB 4.37Å; A361-H367 HydrophobicContact CB-CB 3.85Å | ||
| 362 | L | 91.1 | Very high | 88.1 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -73.4 | -20.5 | -172.1 | -56.4 | -178.9 | 0 | 0 | 0 | 114 | F279 D366 | F279-L362 HydrophobicContact CD2-CD2 4.37Å; F279-L362 HydrophobicContact CE2-CD2 3.92Å; L362-D366 PolarHBondContact N-OD2 3.3Å |
| 363 | S | 89 | Confident | 88.1 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -162.3 | 167 | 179.5 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | A361 K365 D366 H367 | A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.96Å; S363-K365 PolarHBondContact O-N 2.94Å; S363-D366 PolarHBondContact O-N 3.08Å; S363-D366 VanDerWaalsContact O-N 3.13Å; S363-D366 WeakPolarHBondContact OG-CB 3.04Å; S363-D366 PolarHBondContact OG-N 3.37Å; S363-D366 VanDerWaalsContact OG-N 3.12Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.88Å |
| 364 | E | 87.8 | Confident | 88.5 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.2 | -35.9 | 172.8 | -163.8 | -164.6 | 133.3 | 0 | 0 | 113 | F343 R368 | F343-E364 HydrophobicContact CD1-CB 4.02Å; F343-E364 HydrophobicContact CE1-CB 3.57Å; F343-E364 HydrophobicContact CE1-CG 4.25Å; F343-E364 HydrophobicContact CZ-CB 4.22Å; E364-R368 VanDerWaalsContact CD-NH2 3.33Å; E364-R368 PolarHBondContact O-N 3.19Å; E364-R368 IonicContact OE1-CZ 3.38Å; E364-R368 IonicContact OE1-NH1 2.6Å; E364-R368 PolarHBondContact OE1-NH1 3.43Å; E364-R368 IonicContact OE1-NH2 2.68Å; E364-R368 PolarHBondContact OE1-NH2 2.77Å |
| 365 | K | 85.3 | Confident | 88.4 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.9 | -42 | 176.1 | -171.4 | 172.3 | -177.2 | 175.9 | 0 | 111 | S363 Y369 | S363-K365 PolarHBondContact O-N 2.94Å; K365-Y369 HydrophobicContact CD-CE2 4.16Å; K365-Y369 WeakPolarHBondContact CE-OH 3.5Å; K365-Y369 HydrophobicContact CG-CD2 4.16Å; K365-Y369 HydrophobicContact CG-CE2 3.61Å; K365-Y369 WeakPolarHBondContact O-CD2 3.06Å; K365-Y369 PolarHBondContact O-N 3.33Å; K365-Y369 VanDerWaalsContact O-N 3.17Å |
| 366 | D | 89.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 48.9 Ų | 48.9 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.4 | -170.2 | 51.8 | 0 | 0 | 0 | 112.4 | K274 A361 L362 S363 Y369 W370 | K274-D366 WeakPolarHBondContact CE-OD1 3.26Å; K274-D366 IonicContact NZ-OD1 2.85Å; K274-D366 PolarHBondContact NZ-OD1 3.44Å; A361-D366 HydrophobicContact CB-CB 4.37Å; L362-D366 PolarHBondContact N-OD2 3.3Å; S363-D366 PolarHBondContact O-N 3.08Å; S363-D366 VanDerWaalsContact O-N 3.13Å; S363-D366 WeakPolarHBondContact OG-CB 3.04Å; S363-D366 PolarHBondContact OG-N 3.37Å; S363-D366 VanDerWaalsContact OG-N 3.12Å; D366-Y369 PolarHBondContact O-N 3.32Å; D366-W370 PolarHBondContact O-N 2.74Å; D366-W370 PolarHBondContact OD2-NE1 3.01Å |
| 367 | H | 89 | Confident | 85.3 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.069 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -53.1 | 174.5 | -178 | -116.4 | 0 | 0 | 0 | 112.1 | F343 C344 F345 A361 S363 Y369 W370 I371 | F343-H367 VanDerWaalsContact C-CD2 3.41Å; F343-H367 HydrophobicContact CB-CB 4.12Å; F343-H367 PolarHBondContact O-CD2 2.76Å; C344-H367 PolarHBondContact O-NE2 3.26Å; F345-H367 AromaticContact CD1-CD2 3.73Å; A361-H367 HydrophobicContact CB-CB 3.85Å; S363-H367 WeakPolarHBondContact O-CB 3.49Å; S363-H367 PolarHBondContact O-N 2.88Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 PolarHBondContact O-N 3.3Å; H367-W370 PolarHBondContact O-N 2.77Å; H367-W370 VanDerWaalsContact O-N 3.08Å; H367-I371 VanDerWaalsContact CE1-CD1 3.46Å; H367-I371 WeakPolarHBondContact CE1-CD1 3.45Å; H367-I371 PolarHBondContact O-N 2.77Å |
| 368 | R | 86.3 | Confident | 82.7 | Confident | 138 Ų | 138 | 55.7 Ų | 55.7 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.9 | -41.1 | 174.3 | -78.4 | -173.2 | -71.6 | -124.5 | -13.9 | 112.1 | E364 S372 | E364-R368 VanDerWaalsContact CD-NH2 3.33Å; E364-R368 PolarHBondContact O-N 3.19Å; E364-R368 IonicContact OE1-CZ 3.38Å; E364-R368 IonicContact OE1-NH1 2.6Å; E364-R368 PolarHBondContact OE1-NH1 3.43Å; E364-R368 IonicContact OE1-NH2 2.68Å; E364-R368 PolarHBondContact OE1-NH2 2.77Å; R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 2.95Å |
| 369 | Y | 86.8 | Confident | 79.8 | Confident | 126 Ų | 126 | 61.2 Ų | 61.2 | 49% | 0.494 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.5 | -34 | 175.9 | -68.8 | -39.3 | 0 | 0 | 0 | 113.5 | K274 K365 D366 H367 A373 | K274-Y369 WeakPolarHBondContact CD-O 3.13Å; K365-Y369 HydrophobicContact CD-CE2 4.16Å; K365-Y369 WeakPolarHBondContact CE-OH 3.5Å; K365-Y369 HydrophobicContact CG-CD2 4.16Å; K365-Y369 HydrophobicContact CG-CE2 3.61Å; K365-Y369 WeakPolarHBondContact O-CD2 3.06Å; K365-Y369 PolarHBondContact O-N 3.33Å; K365-Y369 VanDerWaalsContact O-N 3.17Å; D366-Y369 PolarHBondContact O-N 3.32Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 PolarHBondContact O-N 3.3Å; Y369-A373 WeakPolarHBondContact O-CB 3.5Å; Y369-A373 PolarHBondContact O-N 3.38Å |
| 370 | W | 90.4 | Very high | 76.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.4 | -47 | 175.3 | -80.7 | 116.4 | 0 | 0 | 0 | 111.7 | K274 L278 C295 F297 F304 F345 D366 H367 A373 M374 | K274-W370 HydrophobicContact CB-CE3 3.98Å; K274-W370 HydrophobicContact CB-CH2 4.41Å; K274-W370 HydrophobicContact CB-CZ3 3.82Å; K274-W370 HydrophobicContact CD-CB 4.45Å; K274-W370 HydrophobicContact CD-CD2 3.59Å; K274-W370 HydrophobicContact CD-CE3 3.63Å; K274-W370 HydrophobicContact CD-CG 3.91Å; K274-W370 HydrophobicContact CD-CZ3 4.21Å; K274-W370 VanDerWaalsContact CE-CE2 3.44Å; K274-W370 HydrophobicContact CG-CD2 4.01Å; K274-W370 HydrophobicContact CG-CE3 3.76Å; K274-W370 HydrophobicContact CG-CH2 4.04Å; K274-W370 HydrophobicContact CG-CZ2 4.22Å; K274-W370 HydrophobicContact CG-CZ3 3.78Å; L278-W370 HydrophobicContact CD1-CD2 4.19Å; L278-W370 HydrophobicContact CD1-CH2 4.38Å; L278-W370 HydrophobicContact CD1-CZ2 4Å; L278-W370 HydrophobicContact CD2-CD2 4.34Å; L278-W370 HydrophobicContact CD2-CG 4.21Å; L278-W370 HydrophobicContact CD2-CZ2 4.38Å; L278-W370 VanDerWaalsContact CD2-NE1 3.32Å; L278-W370 HydrophobicContact CG-CZ2 3.93Å; C295-W370 HydrophobicContact CB-CH2 3.97Å; C295-W370 HydrophobicContact CB-CZ2 4.36Å; F297-W370 HydrophobicContact CB-CZ3 4.21Å; F304-W370 HydrophobicContact CE2-CZ3 4.26Å; F345-W370 HydrophobicContact CE1-CB 4.23Å; F345-W370 HydrophobicContact CE1-CG 4.5Å; F345-W370 HydrophobicContact CE2-CB 4.11Å; F345-W370 HydrophobicContact CZ-CB 3.71Å; F345-W370 AromaticContact CZ-CG 3.96Å; F345-W370 HydrophobicContact CZ-CG 3.96Å; D366-W370 PolarHBondContact O-N 2.74Å; D366-W370 PolarHBondContact OD2-NE1 3.01Å; H367-W370 PolarHBondContact O-N 2.77Å; H367-W370 VanDerWaalsContact O-N 3.08Å; W370-A373 PolarHBondContact O-N 3.28Å; W370-M374 HydrophobicContact CD2-CE 4.17Å; W370-M374 HydrophobicContact CE3-CE 3.3Å; W370-M374 HydrophobicContact CZ3-CE 3.77Å; W370-M374 WeakPolarHBondContact O-CB 3.36Å; W370-M374 WeakPolarHBondContact O-CG 3.39Å; W370-M374 PolarHBondContact O-N 2.82Å; W370-M374 VanDerWaalsContact O-N 3.12Å |
| 371 | I | 88 | Confident | 73.5 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.077 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 176.2 | -68.6 | 176.1 | 0 | 0 | 0 | 110.6 | R334 F345 H367 A373 M374 D375 G376 | R334-I371 HydrophobicContact CB-CD1 4.01Å; R334-I371 HydrophobicContact CG-CD1 4.16Å; F345-I371 HydrophobicContact CB-CD1 4.31Å; F345-I371 HydrophobicContact CB-CG1 4.29Å; F345-I371 HydrophobicContact CG-CG1 4.48Å; H367-I371 VanDerWaalsContact CE1-CD1 3.46Å; H367-I371 WeakPolarHBondContact CE1-CD1 3.45Å; H367-I371 PolarHBondContact O-N 2.77Å; I371-A373 PolarHBondContact O-N 3.26Å; I371-M374 CarbonylContact O-C 3.55Å; I371-M374 PolarHBondContact O-N 3.13Å; I371-M374 VanDerWaalsContact O-N 3.16Å; I371-D375 PolarHBondContact O-N 3.24Å; I371-G376 WeakPolarHBondContact CG2-O 3.47Å; I371-G376 PolarHBondContact O-N 2.97Å |
| 372 | S | 84.9 | Confident | 70.4 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 60% | 0.601 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.9 | -36.3 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 113.3 | R368 M374 | R368-S372 WeakPolarHBondContact O-CB 3.49Å; R368-S372 PolarHBondContact O-N 2.95Å; S372-M374 VanDerWaalsContact C-N 3.31Å; S372-M374 PolarHBondContact O-N 3.4Å |
| 373 | A | 85.6 | Confident | 67.3 | Low | 10 Ų | 10 | 82.4 Ų | 82.4 | 8% | 0.083 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.8 | -33 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T273 K274 F297 Y369 W370 I371 | T273-A373 HydrophobicContact CG2-CB 4.14Å; K274-A373 HydrophobicContact CB-CB 3.9Å; K274-A373 HydrophobicContact CD-CB 4.26Å; F297-A373 WeakPolarHBondContact CE1-O 3.5Å; Y369-A373 WeakPolarHBondContact O-CB 3.5Å; Y369-A373 PolarHBondContact O-N 3.38Å; W370-A373 PolarHBondContact O-N 3.28Å; I371-A373 PolarHBondContact O-N 3.26Å |
| 374 | M | 88 | Confident | 64.4 | Low | 3 Ų | 3 | 85.9 Ų | 85.9 | 2% | 0.015 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 18.4 | -173.7 | -68.8 | -161.1 | -141.5 | 0 | 0 | 114.8 | F297 F304 L329 C332 F345 L347 W370 I371 S372 G376 | F297-M374 HydrophobicContact CD1-CG 3.94Å; F297-M374 HydrophobicContact CD2-CG 4.34Å; F297-M374 HydrophobicContact CE1-CG 4.01Å; F297-M374 HydrophobicContact CE2-CG 4.4Å; F297-M374 HydrophobicContact CG-CG 4.11Å; F297-M374 HydrophobicContact CZ-CG 4.24Å; F304-M374 HydrophobicContact CD2-CE 3.91Å; F304-M374 HydrophobicContact CD2-SD 4.44Å; F304-M374 HydrophobicContact CE2-CE 3.48Å; F304-M374 VanDerWaalsContact CE2-CE 3.48Å; F304-M374 HydrophobicContact CE2-SD 4.48Å; F304-M374 HydrophobicContact CZ-CE 4.38Å; L329-M374 HydrophobicContact CD1-SD 4.18Å; L329-M374 HydrophobicContact CD2-CB 3.66Å; L329-M374 HydrophobicContact CD2-CG 3.91Å; L329-M374 HydrophobicContact CD2-SD 3.92Å; C332-M374 HydrophobicContact CB-CB 3.71Å; F345-M374 HydrophobicContact CE2-CE 4.07Å; L347-M374 HydrophobicContact CD1-CE 3.85Å; L347-M374 HydrophobicContact CD1-SD 3.66Å; L347-M374 HydrophobicContact CD2-CE 4.48Å; L347-M374 HydrophobicContact CD2-SD 3.59Å; L347-M374 VanDerWaalsContact CD2-SD 3.59Å; L347-M374 HydrophobicContact CG-SD 4.31Å; W370-M374 HydrophobicContact CD2-CE 4.17Å; W370-M374 HydrophobicContact CE3-CE 3.3Å; W370-M374 HydrophobicContact CZ3-CE 3.77Å; W370-M374 WeakPolarHBondContact O-CB 3.36Å; W370-M374 WeakPolarHBondContact O-CG 3.39Å; W370-M374 PolarHBondContact O-N 2.82Å; W370-M374 VanDerWaalsContact O-N 3.12Å; I371-M374 CarbonylContact O-C 3.55Å; I371-M374 PolarHBondContact O-N 3.13Å; I371-M374 VanDerWaalsContact O-N 3.16Å; S372-M374 VanDerWaalsContact C-N 3.31Å; S372-M374 PolarHBondContact O-N 3.4Å; M374-G376 PolarHBondContact O-N 3.42Å |
| 375 | D | 78 | Confident | 61.5 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 24.3 | -178.4 | -56.6 | -34.2 | 0 | 0 | 0 | 114.8 | K299 R302 I371 | K299-D375 WeakPolarHBondContact CE-OD1 3.47Å; K299-D375 IonicContact NZ-OD1 3.54Å; K299-D375 PolarHBondContact NZ-OD1 3.22Å; R302-D375 IonicContact CZ-OD2 3.15Å; R302-D375 IonicContact NE-OD2 2.75Å; R302-D375 IonicContact NH2-OD2 3.83Å; R302-D375 PolarHBondContact NH2-OD2 3.25Å; I371-D375 PolarHBondContact O-N 3.24Å |
| 376 | G | 62.4 | Low | 58.7 | Low | 12 Ų | 12 | 88 Ų | 88 | 12% | 0.124 | 48% | 0.481 | C | S | . | . | trans | -72.6 | 135.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I371 M374 | I371-G376 WeakPolarHBondContact CG2-O 3.47Å; I371-G376 PolarHBondContact O-N 2.97Å; M374-G376 PolarHBondContact O-N 3.42Å | ||
| 377 | T | 49.3 | Very low | 55.8 | Low | 132 Ų | 132 | 94 Ų | 94 | 81% | 0.81 | 51% | 0.512 | S | S | * | . | trans | -86 | 114.5 | -165.2 | 52 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 378 | E | 36.1 | Very low | 52.9 | Low | 124 Ų | 124 | 102.7 Ų | 102.7 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | trans | -151.1 | 149.3 | 152 | -138.5 | 164 | 154.9 | 0 | 0 | 108.9 | R334 | R334-E378 WeakPolarHBondContact CD-OE2 3.48Å; R334-E378 IonicContact CZ-OE1 2.65Å; R334-E378 IonicContact CZ-OE2 2.63Å; R334-E378 IonicContact NE-OE2 3.44Å; R334-E378 IonicContact NH1-OE1 3.65Å; R334-E378 PolarHBondContact NH1-OE1 3.46Å; R334-E378 IonicContact NH1-OE2 2.65Å; R334-E378 PolarHBondContact NH1-OE2 2.96Å | ||
| 379 | P | 29.1 | Very low | 50.2 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 78% | 0.779 | 56% | 0.563 | S | S | * | * | trans | -71.1 | 149 | -152.5 | -26.1 | 37.2 | 0 | 0 | 0 | 118.9 | ||||
| 380 | T | 26.4 | Very low | 47.9 | Very low | 113 Ų | 113 | 101.4 Ų | 101.4 | 69% | 0.693 | 57% | 0.574 | S | S | * | * | trans | -13.2 | 121.7 | 160.8 | -50.4 | 0 | 0 | 0 | 0 | 117.9 | L382 | T380-L382 HydrophobicContact CG2-CD1 4.45Å; T380-L382 HydrophobicContact CG2-CG 3.97Å | ||
| 381 | Y | 28.3 | Very low | 46.2 | Very low | 232 Ų | 232 | 109.3 Ų | 109.3 | 91% | 0.91 | 61% | 0.611 | S | S | * | * | trans | -123.8 | 114.9 | 141 | -103.1 | -89.1 | 0 | 0 | 0 | 109.7 | ||||
| 382 | L | 26.4 | Very low | 45 | Very low | 155 Ų | 155 | 110.4 Ų | 110.4 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -80.1 | 116 | 172.3 | -75.9 | 165.9 | 0 | 0 | 0 | 109.3 | T380 | T380-L382 HydrophobicContact CG2-CD1 4.45Å; T380-L382 HydrophobicContact CG2-CG 3.97Å | ||
| 383 | A | 26.3 | Very low | 44.8 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | trans | -149.4 | 78.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G385 | A383-G385 PolarHBondContact O-N 2.96Š| ||
| 384 | P | 28.6 | Very low | 44.6 | Very low | 120 Ų | 120 | 113 Ų | 113 | 78% | 0.779 | 62% | 0.622 | S | S | * | * | trans | -70.6 | 81.2 | 169.2 | 30.9 | -33.7 | 0 | 0 | 0 | 109.2 | K386 | P384-K386 PolarHBondContact O-N 2.95Š| ||
| 385 | G | 27.2 | Very low | 44.7 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | trans | -61.5 | 103.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | A383 I387 | A383-G385 PolarHBondContact O-N 2.96Å; G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 3.21Å | ||
| 386 | K | 26.6 | Very low | 45.2 | Very low | 206 Ų | 206 | 115.5 Ų | 115.5 | 90% | 0.896 | 64% | 0.635 | S | S | * | * | trans | -63.8 | 91.3 | 173.6 | -70.7 | -176.3 | 178.2 | -177.7 | 0 | 109.3 | P384 K388 | P384-K386 PolarHBondContact O-N 2.95Å; K386-K388 PolarHBondContact O-N 3.23Å | ||
| 387 | I | 27.4 | Very low | 46.5 | Very low | 153 Ų | 153 | 120.3 Ų | 120.3 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -55.1 | 121.1 | 158.5 | -60.9 | 176.3 | 0 | 0 | 0 | 105.4 | G385 V389 | G385-I387 VanDerWaalsContact C-N 3.31Å; G385-I387 PolarHBondContact O-N 3.21Å; I387-V389 PolarHBondContact O-N 2.76Å | ||
| 388 | K | 28.6 | Very low | 48.4 | Very low | 197 Ų | 197 | 114.5 Ų | 114.5 | 86% | 0.857 | 62% | 0.619 | S | S | * | * | trans | -60.4 | 112.8 | 170 | -74 | -172.1 | 175.9 | -173.2 | 0 | 106.8 | K386 S390 | K386-K388 PolarHBondContact O-N 3.23Å; K388-S390 PolarHBondContact O-N 2.93Å | ||
| 389 | V | 30.7 | Very low | 51.1 | Low | 133 Ų | 133 | 108.6 Ų | 108.6 | 81% | 0.806 | 59% | 0.591 | S | S | * | * | trans | -60.4 | 108.3 | 165.3 | 178.2 | 0 | 0 | 0 | 0 | 105.3 | I387 | I387-V389 PolarHBondContact O-N 2.76Š| ||
| 390 | S | 38.7 | Very low | 54.1 | Low | 104 Ų | 104 | 103.9 Ų | 103.9 | 73% | 0.727 | 56% | 0.559 | S | S | * | * | trans | -59.2 | 141.8 | 173.7 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | K388 A392 | K388-S390 PolarHBondContact O-N 2.93Å; S390-A392 PolarHBondContact O-N 3.34Å | ||
| 391 | E | 52.9 | Low | 57.3 | Low | 165 Ų | 165 | 101.2 Ų | 101.2 | 77% | 0.771 | 54% | 0.539 | S | S | * | . | trans | -57.1 | 97.8 | -173.5 | -67.7 | 166.5 | 168.1 | 0 | 0 | 110.8 | ||||
| 392 | A | 62.6 | Low | 60.4 | Low | 39 Ų | 39 | 90.2 Ų | 90.2 | 32% | 0.322 | 50% | 0.496 | S | S | . | . | trans | -89.9 | 120.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S390 H394 N473 | S390-A392 PolarHBondContact O-N 3.34Å; A392-H394 PolarHBondContact O-CE1 3.45Å; A392-H394 VanDerWaalsContact O-CE1 3.27Å; A392-H394 PolarHBondContact O-ND1 3.49Å; A392-N473 HydrophobicContact CB-CB 3.93Å | ||
| 393 | Y | 80.9 | Confident | 63.7 | Low | 50 Ų | 50 | 82.9 Ų | 82.9 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 151.7 | 178.9 | -57.5 | -43.8 | 0 | 0 | 0 | 110.6 | L434 L438 Y468 N471 L472 N473 | Y393-L434 HydrophobicContact CE2-CD1 4.49Å; Y393-L438 HydrophobicContact CD1-CD1 4.03Å; Y393-L438 HydrophobicContact CE1-CD1 3.67Å; Y393-L438 HydrophobicContact CE2-CD1 4.42Å; Y393-Y468 AromaticContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CE2 4.27Å; Y393-Y468 HydrophobicContact CD2-CG 4.32Å; Y393-Y468 HydrophobicContact CE2-CD2 4.33Å; Y393-Y468 AromaticContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CE2 4.1Å; Y393-N471 HydrophobicContact CD2-CB 3.53Å; Y393-N471 HydrophobicContact CE2-CB 3.58Å; Y393-N471 PolarHBondContact N-O 2.94Å; Y393-L472 CarbonylContact O-C 3.59Å; Y393-L472 WeakPolarHBondContact O-CA 3.21Å; Y393-N473 PolarHBondContact O-N 3.38Å |
| 394 | H | 83.2 | Confident | 67 | Low | 101 Ų | 101 | 84.4 Ų | 84.4 | 47% | 0.468 | 45% | 0.445 | S | S | . | . | trans | -115.1 | 157 | 177.3 | -66.7 | 69.4 | 0 | 0 | 0 | 108.8 | A392 D396 Y468 N473 | A392-H394 PolarHBondContact O-CE1 3.45Å; A392-H394 VanDerWaalsContact O-CE1 3.27Å; A392-H394 PolarHBondContact O-ND1 3.49Å; H394-D396 PolarHBondContact O-N 2.99Å; H394-Y468 PolarHBondContact O-OH 3.44Å; H394-N473 PolarHBondContact CD2-ND2 3.16Å; H394-N473 PolarHBondContact NE2-ND2 3.43Å | ||
| 395 | L | 88.6 | Confident | 70 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 20% | 0.204 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -78.9 | 71.3 | 171.6 | -68.6 | 175.8 | 0 | 0 | 0 | 109.5 | F400 L472 L476 P511 N512 M515 | L395-F400 HydrophobicContact CB-CE2 4.48Å; L395-L472 HydrophobicContact CD2-CD1 3.85Å; L395-L472 HydrophobicContact CD2-CD2 3.85Å; L395-L472 HydrophobicContact CG-CD1 4.4Å; L395-L472 HydrophobicContact CG-CD2 4.1Å; L395-L476 HydrophobicContact CD1-CD1 4Å; L395-L476 HydrophobicContact CD2-CD1 4.25Å; L395-P511 HydrophobicContact CB-CB 4.19Å; L395-P511 HydrophobicContact CD1-CB 4.35Å; L395-N512 HydrophobicContact CD1-CB 4.32Å; L395-M515 HydrophobicContact CD2-CB 4.25Å; L395-M515 HydrophobicContact CD2-CG 4.03Å; L395-M515 HydrophobicContact CD2-SD 4.42Å |
| 396 | D | 89 | Confident | 73.3 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | trans | -106.6 | 172.1 | 176.3 | 65.8 | 39.1 | 0 | 0 | 0 | 112.1 | H394 A398 G399 F400 | H394-D396 PolarHBondContact O-N 2.99Å; D396-A398 PolarHBondContact O-N 3.47Å; D396-A398 WeakPolarHBondContact OD1-CA 3.15Å; D396-A398 WeakPolarHBondContact OD1-CB 3.4Å; D396-A398 PolarHBondContact OD1-N 3.39Å; D396-G399 PolarHBondContact O-N 2.93Å; D396-G399 VanDerWaalsContact O-N 3.11Å; D396-G399 PolarHBondContact OD1-N 2.75Å; D396-F400 WeakPolarHBondContact O-CD2 3.33Å; D396-F400 PolarHBondContact O-N 2.95Å | ||
| 397 | E | 89.1 | Confident | 76.6 | Confident | 114 Ų | 114 | 70.1 Ų | 70.1 | 53% | 0.533 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.2 | -31 | -176.9 | -166.1 | 59.9 | -137.8 | 0 | 0 | 112.8 | F400 M401 | E397-F400 PolarHBondContact O-N 3.16Å; E397-M401 HydrophobicContact CG-CE 4.3Å; E397-M401 HydrophobicContact CG-CG 4.49Å; E397-M401 WeakPolarHBondContact O-CB 3.34Å; E397-M401 VanDerWaalsContact O-CG 3.28Å; E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 2.88Å |
| 398 | A | 89.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 7% | 0.074 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | D396 M401 F402 Q440 | D396-A398 PolarHBondContact O-N 3.47Å; D396-A398 WeakPolarHBondContact OD1-CA 3.15Å; D396-A398 WeakPolarHBondContact OD1-CB 3.4Å; D396-A398 PolarHBondContact OD1-N 3.39Å; A398-M401 PolarHBondContact O-N 2.67Å; A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 3.39Å; A398-Q440 HydrophobicContact CB-CG 3.95Å |
| 399 | G | 91.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | D396 F402 I403 Y468 | D396-G399 PolarHBondContact O-N 2.93Å; D396-G399 VanDerWaalsContact O-N 3.11Å; D396-G399 PolarHBondContact OD1-N 2.75Å; G399-F402 PolarHBondContact O-N 3.04Å; G399-I403 WeakPolarHBondContact O-CG1 3.48Å; G399-I403 PolarHBondContact O-N 3.43Å; G399-Y468 WeakPolarHBondContact CA-OH 3.41Å |
| 400 | F | 94.1 | Very high | 86 | Confident | 21 Ų | 21 | 52 Ų | 52 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.6 | -90.3 | -84.4 | 0 | 0 | 0 | 112.6 | L395 D396 E397 R404 P511 Q514 M515 M518 | L395-F400 HydrophobicContact CB-CE2 4.48Å; D396-F400 WeakPolarHBondContact O-CD2 3.33Å; D396-F400 PolarHBondContact O-N 2.95Å; E397-F400 PolarHBondContact O-N 3.16Å; F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.31Å; F400-R404 PolarHBondContact O-N 2.79Å; F400-P511 HydrophobicContact CE2-CB 4.18Å; F400-P511 HydrophobicContact CZ-CB 4.29Å; F400-P511 WeakPolarHBondContact CZ-O 3.46Å; F400-Q514 HydrophobicContact CE1-CB 3.92Å; F400-Q514 HydrophobicContact CZ-CB 4.06Å; F400-M515 HydrophobicContact CD1-CE 3.72Å; F400-M515 HydrophobicContact CD1-SD 4.41Å; F400-M515 HydrophobicContact CE1-CB 3.87Å; F400-M515 HydrophobicContact CE1-CE 3.96Å; F400-M515 HydrophobicContact CG-CE 4.43Å; F400-M515 HydrophobicContact CZ-CB 3.9Å; F400-M518 HydrophobicContact CD1-CE 4.06Å |
| 401 | M | 92.1 | Very high | 88.7 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 29% | 0.286 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.2 | -73.6 | -171.2 | -63.3 | 0 | 0 | 111.5 | E397 A398 I403 R404 R405 | E397-M401 HydrophobicContact CG-CE 4.3Å; E397-M401 HydrophobicContact CG-CG 4.49Å; E397-M401 WeakPolarHBondContact O-CB 3.34Å; E397-M401 VanDerWaalsContact O-CG 3.28Å; E397-M401 WeakPolarHBondContact O-CG 3.34Å; E397-M401 PolarHBondContact O-N 2.88Å; A398-M401 PolarHBondContact O-N 2.67Å; M401-I403 PolarHBondContact O-N 2.78Å; M401-R404 PolarHBondContact O-N 2.94Å; M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.31Å |
| 402 | F | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.4 | -49.9 | 178.6 | 175.8 | -102.5 | 0 | 0 | 0 | 112.1 | A398 G399 R404 R405 C406 L433 L434 L438 F447 A464 Y468 | A398-F402 VanDerWaalsContact O-CB 3.27Å; A398-F402 WeakPolarHBondContact O-CB 3.42Å; A398-F402 PolarHBondContact O-N 3.39Å; G399-F402 PolarHBondContact O-N 3.04Å; F402-R404 PolarHBondContact O-N 3.26Å; F402-R405 PolarHBondContact O-N 3.08Å; F402-C406 VanDerWaalsContact CZ-SG 3.6Å; F402-C406 PolarHBondContact O-N 2.95Å; F402-C406 PolarHBondContact O-SG 3.4Å; F402-C406 VanDerWaalsContact O-SG 3.35Å; F402-L433 HydrophobicContact CE2-CG 4.35Å; F402-L434 HydrophobicContact CE1-CD2 3.64Å; F402-L434 HydrophobicContact CZ-CD2 3.65Å; F402-L434 HydrophobicContact CZ-CG 4.46Å; F402-L438 HydrophobicContact CB-CD2 3.78Å; F402-L438 HydrophobicContact CD1-CD2 4.17Å; F402-L438 HydrophobicContact CG-CD2 3.91Å; F402-L438 HydrophobicContact CG-CG 4.42Å; F402-F447 HydrophobicContact CD2-CE2 4.28Å; F402-F447 HydrophobicContact CD2-CZ 4.02Å; F402-F447 AromaticContact CE2-CZ 3.98Å; F402-F447 HydrophobicContact CE2-CZ 3.98Å; F402-A464 HydrophobicContact CZ-CB 3.98Å; F402-Y468 HydrophobicContact CD1-CG 4.42Å |
| 403 | I | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | -180 | -65.7 | -70.6 | 0 | 0 | 0 | 111.4 | G399 M401 C406 I407 L465 Y468 L469 M515 M518 V519 | G399-I403 WeakPolarHBondContact O-CG1 3.48Å; G399-I403 PolarHBondContact O-N 3.43Å; M401-I403 PolarHBondContact O-N 2.78Å; I403-C406 PolarHBondContact O-N 2.9Å; I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CB 3.37Å; I403-I407 WeakPolarHBondContact O-CG1 3.49Å; I403-I407 PolarHBondContact O-N 3.17Å; I403-L465 HydrophobicContact CD1-CB 4.29Å; I403-L465 HydrophobicContact CD1-CD1 4.35Å; I403-L465 HydrophobicContact CD1-CG 3.73Å; I403-L465 HydrophobicContact CG2-CD1 4.4Å; I403-Y468 HydrophobicContact CD1-CD1 3.48Å; I403-Y468 VanDerWaalsContact CD1-CD1 3.48Å; I403-Y468 HydrophobicContact CD1-CE1 4.17Å; I403-Y468 HydrophobicContact CD1-CG 4.11Å; I403-Y468 HydrophobicContact CG1-CD1 3.59Å; I403-Y468 HydrophobicContact CG1-CE1 3.76Å; I403-Y468 HydrophobicContact CG1-CG 4.38Å; I403-L469 HydrophobicContact CD1-CD2 4.46Å; I403-L469 HydrophobicContact CD1-CG 4.29Å; I403-M515 HydrophobicContact CB-CE 3.82Å; I403-M515 HydrophobicContact CB-SD 4Å; I403-M515 HydrophobicContact CG1-CE 4.43Å; I403-M515 HydrophobicContact CG1-SD 3.94Å; I403-M515 HydrophobicContact CG2-CE 3.5Å; I403-M515 HydrophobicContact CG2-SD 3.97Å; I403-M518 HydrophobicContact CG2-SD 4.19Å; I403-V519 HydrophobicContact CG2-CG2 4.28Å |
| 404 | R | 95.2 | Very high | 92.6 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 174.4 | -168.8 | -169.9 | -58.4 | -103 | 6.4 | 112 | F400 M401 F402 I407 Q408 M518 | F400-R404 VanDerWaalsContact O-CB 3.26Å; F400-R404 WeakPolarHBondContact O-CB 3.31Å; F400-R404 PolarHBondContact O-N 2.79Å; M401-R404 PolarHBondContact O-N 2.94Å; F402-R404 PolarHBondContact O-N 3.26Å; R404-I407 PolarHBondContact O-N 3.02Å; R404-Q408 WeakPolarHBondContact O-CB 3.35Å; R404-Q408 VanDerWaalsContact O-CG 3.25Å; R404-Q408 WeakPolarHBondContact O-CG 3.48Å; R404-Q408 PolarHBondContact O-N 3.44Å; R404-M518 HydrophobicContact CB-CE 4.45Å; R404-M518 HydrophobicContact CB-SD 4.03Å; R404-M518 HydrophobicContact CG-SD 4.46Å |
| 405 | R | 92.9 | Very high | 93.2 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 30% | 0.298 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.8 | -70.1 | -68.3 | -171.8 | -157.7 | 5.1 | 111.6 | M401 F402 I407 Q408 V409 D444 F447 | M401-R405 WeakPolarHBondContact O-CG 3.3Å; M401-R405 PolarHBondContact O-N 3.31Å; F402-R405 PolarHBondContact O-N 3.08Å; R405-I407 PolarHBondContact O-N 3.44Å; R405-Q408 PolarHBondContact O-N 3.37Å; R405-V409 WeakPolarHBondContact O-CG2 3.34Å; R405-V409 PolarHBondContact O-N 3.07Å; R405-V409 VanDerWaalsContact O-N 3.17Å; R405-D444 IonicContact CZ-OD1 2.72Å; R405-D444 VanDerWaalsContact CZ-OD1 3.24Å; R405-D444 IonicContact NE-OD1 3.23Å; R405-D444 PolarHBondContact NE-OD1 3.31Å; R405-D444 IonicContact NH2-OD1 2.95Å; R405-D444 PolarHBondContact NH2-OD1 3.13Å; R405-D444 IonicContact NH2-OD2 3.24Å; R405-D444 PolarHBondContact NH2-OD2 3.23Å; R405-F447 HydrophobicContact CB-CD1 4.2Å; R405-F447 HydrophobicContact CB-CD2 3.64Å; R405-F447 HydrophobicContact CB-CE1 4.07Å; R405-F447 HydrophobicContact CB-CE2 3.5Å; R405-F447 VanDerWaalsContact CB-CE2 3.5Å; R405-F447 HydrophobicContact CB-CG 3.99Å; R405-F447 HydrophobicContact CB-CZ 3.72Å; R405-F447 HydrophobicContact CG-CD2 3.98Å; R405-F447 HydrophobicContact CG-CE2 4.09Å |
| 406 | C | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | 173.8 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | F402 I403 V409 L410 I461 L465 | F402-C406 VanDerWaalsContact CZ-SG 3.6Å; F402-C406 PolarHBondContact O-N 2.95Å; F402-C406 PolarHBondContact O-SG 3.4Å; F402-C406 VanDerWaalsContact O-SG 3.35Å; I403-C406 PolarHBondContact O-N 2.9Å; C406-V409 PolarHBondContact O-N 3.26Å; C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.34Å; C406-L410 PolarHBondContact O-N 2.98Å; C406-L410 VanDerWaalsContact O-N 3.1Å; C406-I461 HydrophobicContact CB-CG2 3.67Å; C406-L465 HydrophobicContact CB-CB 4.34Å; C406-L465 HydrophobicContact CB-CD1 3.96Å |
| 407 | I | 96.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 179.2 | -78.6 | 170.3 | 0 | 0 | 0 | 111.1 | I403 R404 R405 V409 L410 E411 L465 M518 H522 | I403-I407 HydrophobicContact CG2-CD1 3.85Å; I403-I407 WeakPolarHBondContact O-CB 3.37Å; I403-I407 WeakPolarHBondContact O-CG1 3.49Å; I403-I407 PolarHBondContact O-N 3.17Å; R404-I407 PolarHBondContact O-N 3.02Å; R405-I407 PolarHBondContact O-N 3.44Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.07Å; I407-L410 PolarHBondContact O-N 3.14Å; I407-L410 VanDerWaalsContact O-N 3.11Å; I407-E411 VanDerWaalsContact CG2-CD 3.48Å; I407-E411 HydrophobicContact CG2-CG 4.38Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.39Å; I407-E411 WeakPolarHBondContact O-CB 3.12Å; I407-E411 WeakPolarHBondContact O-CG 3.13Å; I407-E411 PolarHBondContact O-N 3.43Å; I407-L465 HydrophobicContact CD1-CD1 4.32Å; I407-L465 HydrophobicContact CG1-CD1 3.77Å; I407-M518 HydrophobicContact CD1-CG 3.86Å; I407-M518 HydrophobicContact CD1-SD 4.17Å; I407-H522 HydrophobicContact CD1-CB 3.96Å; I407-H522 HydrophobicContact CG1-CB 4.02Å; I407-H522 HydrophobicContact CG2-CB 4.1Å |
| 408 | Q | 94.8 | Very high | 94.1 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.36 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -52.8 | -48 | 177.9 | -76.4 | 170.3 | -10.7 | 0 | 0 | 112.4 | R404 R405 L410 E411 I412 | R404-Q408 WeakPolarHBondContact O-CB 3.35Å; R404-Q408 VanDerWaalsContact O-CG 3.25Å; R404-Q408 WeakPolarHBondContact O-CG 3.48Å; R404-Q408 PolarHBondContact O-N 3.44Å; R405-Q408 PolarHBondContact O-N 3.37Å; Q408-L410 PolarHBondContact O-N 3.48Å; Q408-E411 PolarHBondContact O-N 3.45Å; Q408-I412 WeakPolarHBondContact O-CD1 3.46Å; Q408-I412 VanDerWaalsContact O-CG1 3.27Å; Q408-I412 WeakPolarHBondContact O-CG1 3.02Å; Q408-I412 PolarHBondContact O-N 2.68Å; Q408-I412 VanDerWaalsContact O-N 3.1Å |
| 409 | V | 93.6 | Very high | 94.2 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70 | -32.9 | -178.5 | 177.4 | 0 | 0 | 0 | 0 | 112 | R405 C406 I407 R413 F447 I461 | R405-V409 WeakPolarHBondContact O-CG2 3.34Å; R405-V409 PolarHBondContact O-N 3.07Å; R405-V409 VanDerWaalsContact O-N 3.17Å; C406-V409 PolarHBondContact O-N 3.26Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.07Å; V409-R413 VanDerWaalsContact O-CG 3.23Å; V409-R413 WeakPolarHBondContact O-CG 3.23Å; V409-F447 HydrophobicContact CG2-CD1 4.13Å; V409-I461 HydrophobicContact CB-CD1 4.19Å; V409-I461 HydrophobicContact CG1-CD1 3.51Å |
| 410 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.2 | -31 | 175.1 | -67.9 | 174.7 | 0 | 0 | 0 | 112.6 | C406 I407 Q408 G414 L415 I420 Y421 I461 A462 | C406-L410 VanDerWaalsContact O-CG 3.29Å; C406-L410 WeakPolarHBondContact O-CG 3.34Å; C406-L410 PolarHBondContact O-N 2.98Å; C406-L410 VanDerWaalsContact O-N 3.1Å; I407-L410 PolarHBondContact O-N 3.14Å; I407-L410 VanDerWaalsContact O-N 3.11Å; Q408-L410 PolarHBondContact O-N 3.48Å; L410-G414 CarbonylContact O-C 3.38Å; L410-G414 WeakPolarHBondContact O-CA 3.46Å; L410-G414 PolarHBondContact O-N 2.85Å; L410-L415 WeakPolarHBondContact O-CG 3.11Å; L410-L415 PolarHBondContact O-N 3.38Å; L410-I420 HydrophobicContact CD2-CD1 4.05Å; L410-Y421 HydrophobicContact CD1-CE1 4.4Å; L410-Y421 WeakPolarHBondContact CD1-OH 3.5Å; L410-I461 HydrophobicContact CD1-CG2 3.98Å; L410-I461 HydrophobicContact CD2-CB 4.2Å; L410-I461 HydrophobicContact CD2-CG2 4.3Å; L410-I461 HydrophobicContact CG-CB 4.39Å; L410-I461 HydrophobicContact CG-CG2 3.94Å; L410-A462 HydrophobicContact CD1-CB 4.03Å |
| 411 | E | 95.9 | Very high | 94.5 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71 | -42.1 | 176 | -79 | 168.1 | -175.7 | 0 | 0 | 112.6 | I407 Q408 R413 L415 H522 | I407-E411 VanDerWaalsContact CG2-CD 3.48Å; I407-E411 HydrophobicContact CG2-CG 4.38Å; I407-E411 WeakPolarHBondContact CG2-OE1 3.39Å; I407-E411 WeakPolarHBondContact O-CB 3.12Å; I407-E411 WeakPolarHBondContact O-CG 3.13Å; I407-E411 PolarHBondContact O-N 3.43Å; Q408-E411 PolarHBondContact O-N 3.45Å; E411-R413 VanDerWaalsContact C-N 3.34Å; E411-R413 PolarHBondContact O-N 3.14Å; E411-L415 HydrophobicContact CB-CD1 4.5Å; E411-L415 HydrophobicContact CG-CD1 4.35Å; E411-L415 HydrophobicContact CG-CD2 4.17Å; E411-H522 WeakPolarHBondContact CG-ND1 3.41Å; E411-H522 IonicContact OE1-CE1 2.88Å; E411-H522 IonicContact OE1-CG 3.03Å; E411-H522 IonicContact OE1-ND1 3.05Å; E411-H522 PolarHBondContact OE1-ND1 3.14Å |
| 412 | I | 93.7 | Very high | 94.5 | Very high | 145 Ų | 145 | 49.7 Ų | 49.7 | 74% | 0.744 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63 | -37.7 | 179.8 | -71.1 | 165.1 | 0 | 0 | 0 | 112.4 | Q408 | Q408-I412 WeakPolarHBondContact O-CD1 3.46Å; Q408-I412 VanDerWaalsContact O-CG1 3.27Å; Q408-I412 WeakPolarHBondContact O-CG1 3.02Å; Q408-I412 PolarHBondContact O-N 2.68Å; Q408-I412 VanDerWaalsContact O-N 3.1Å |
| 413 | R | 93.2 | Very high | 94.5 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -148 | -5.8 | -169 | 58.9 | 168.1 | -167.8 | 76.7 | 4.4 | 117.2 | V409 E411 M456 S458 | V409-R413 VanDerWaalsContact O-CG 3.23Å; V409-R413 WeakPolarHBondContact O-CG 3.23Å; E411-R413 VanDerWaalsContact C-N 3.34Å; E411-R413 PolarHBondContact O-N 3.14Å; R413-M456 PolarHBondContact NH2-O 3.19Å; R413-S458 PolarHBondContact NH1-OG 3.41Å |
| 414 | G | 91 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -20.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L410 E416 D417 I420 | L410-G414 CarbonylContact O-C 3.38Å; L410-G414 WeakPolarHBondContact O-CA 3.46Å; L410-G414 PolarHBondContact O-N 2.85Å; G414-E416 PolarHBondContact O-N 2.94Å; G414-D417 WeakPolarHBondContact O-CB 3.25Å; G414-D417 PolarHBondContact O-N 3.25Å; G414-I420 WeakPolarHBondContact O-CD1 3.36Å |
| 415 | L | 94.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.6 | -173.6 | -58.3 | -179.2 | 0 | 0 | 0 | 115.3 | L410 E411 V526 K529 N533 | L410-L415 WeakPolarHBondContact O-CG 3.11Å; L410-L415 PolarHBondContact O-N 3.38Å; E411-L415 HydrophobicContact CB-CD1 4.5Å; E411-L415 HydrophobicContact CG-CD1 4.35Å; E411-L415 HydrophobicContact CG-CD2 4.17Å; L415-V526 HydrophobicContact CD2-CG2 3.63Å; L415-K529 HydrophobicContact CB-CD 3.79Å; L415-K529 HydrophobicContact CB-CG 4.46Å; L415-K529 WeakPolarHBondContact O-CB 3.35Å; L415-N533 WeakPolarHBondContact O-CB 3.34Å; L415-N533 PolarHBondContact O-ND2 2.89Å |
| 416 | E | 95.5 | Very high | 94 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -4.4 | 178.9 | -55.2 | -163.3 | 167.9 | 0 | 0 | 113.1 | G414 E418 K529 K532 | G414-E416 PolarHBondContact O-N 2.94Å; E416-E418 PolarHBondContact O-N 2.87Å; E416-K529 HydrophobicContact CG-CD 3.6Å; E416-K529 IonicContact OE1-NZ 3.63Å; E416-K529 PolarHBondContact OE1-NZ 2.82Å; E416-K532 HydrophobicContact CB-CB 4.45Å; E416-K532 HydrophobicContact CB-CD 4.17Å; E416-K532 HydrophobicContact CG-CD 3.9Å; E416-K532 IonicContact OE1-NZ 3.43Å; E416-K532 PolarHBondContact OE1-NZ 3.21Å; E416-K532 WeakPolarHBondContact OE2-CD 3.39Å; E416-K532 WeakPolarHBondContact OE2-CE 3.48Å; E416-K532 IonicContact OE2-NZ 3.86Å; E416-K532 PolarHBondContact OE2-NZ 3.25Å |
| 417 | D | 95.4 | Very high | 93.7 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -67.7 | 116.5 | 178.5 | -77 | -40.2 | 0 | 0 | 0 | 110.8 | G414 G419 I420 S458 N533 | G414-D417 WeakPolarHBondContact O-CB 3.25Å; G414-D417 PolarHBondContact O-N 3.25Å; D417-G419 PolarHBondContact O-N 2.81Å; D417-I420 WeakPolarHBondContact O-CB 3.49Å; D417-I420 PolarHBondContact O-N 3Å; D417-S458 WeakPolarHBondContact OD2-CB 3.48Å; D417-S458 PolarHBondContact OD2-OG 3.05Å; D417-N533 WeakPolarHBondContact O-CB 3.46Å |
| 418 | E | 94.5 | Very high | 93.4 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 123.7 | 178.9 | -74.2 | -166.5 | 150.9 | 0 | 0 | 112.6 | E416 I420 K423 N533 | E416-E418 PolarHBondContact O-N 2.87Å; E418-I420 VanDerWaalsContact C-N 3.31Å; E418-K423 VanDerWaalsContact CB-NZ 3.33Å; E418-K423 WeakPolarHBondContact O-CD 3.5Å; E418-K423 WeakPolarHBondContact O-CE 3.46Å; E418-K423 PolarHBondContact O-NZ 2.93Å; E418-K423 IonicContact OE2-NZ 2.77Å; E418-N533 CarbonylContact C-O 3.56Å; E418-N533 WeakPolarHBondContact CA-O 3.26Å |
| 419 | G | 92.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 25 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D417 Y421 R422 K423 N533 | D417-G419 PolarHBondContact O-N 2.81Å; G419-Y421 PolarHBondContact O-N 2.91Å; G419-R422 CarbonylContact O-C 3.57Å; G419-R422 WeakPolarHBondContact O-CA 3.28Å; G419-R422 WeakPolarHBondContact O-CB 3.31Å; G419-R422 PolarHBondContact O-N 2.87Å; G419-K423 PolarHBondContact O-N 3.24Å; G419-N533 PolarHBondContact N-O 3.21Å |
| 420 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 140.3 | 167 | -174.2 | 167.2 | 0 | 0 | 0 | 110.8 | L410 G414 D417 E418 R422 A462 V526 N533 M535 | L410-I420 HydrophobicContact CD2-CD1 4.05Å; G414-I420 WeakPolarHBondContact O-CD1 3.36Å; D417-I420 WeakPolarHBondContact O-CB 3.49Å; D417-I420 PolarHBondContact O-N 3Å; E418-I420 VanDerWaalsContact C-N 3.31Å; I420-R422 PolarHBondContact O-N 2.84Å; I420-A462 HydrophobicContact CG1-CB 4.18Å; I420-V526 HydrophobicContact CG2-CG1 3.71Å; I420-N533 HydrophobicContact CG2-CB 4.26Å; I420-M535 HydrophobicContact CG2-CG 4.05Å; I420-M535 WeakPolarHBondContact O-CG 3.5Å |
| 421 | Y | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -25.6 | -168.7 | -61.4 | -68.6 | 0 | 0 | 0 | 117.1 | L410 G419 A462 L465 K466 H522 L523 V526 L540 F544 | L410-Y421 HydrophobicContact CD1-CE1 4.4Å; L410-Y421 WeakPolarHBondContact CD1-OH 3.5Å; G419-Y421 PolarHBondContact O-N 2.91Å; Y421-A462 HydrophobicContact CD1-CB 3.59Å; Y421-A462 WeakPolarHBondContact CD1-O 3.43Å; Y421-A462 HydrophobicContact CE1-CB 3.55Å; Y421-A462 WeakPolarHBondContact CE1-O 3.45Å; Y421-A462 HydrophobicContact CG-CB 4.22Å; Y421-L465 HydrophobicContact CE1-CB 4.48Å; Y421-L465 HydrophobicContact CE1-CD2 3.89Å; Y421-K466 HydrophobicContact CD1-CD 4.08Å; Y421-K466 HydrophobicContact CD1-CG 3.93Å; Y421-K466 HydrophobicContact CE1-CG 4.49Å; Y421-K466 WeakPolarHBondContact O-CE 3.39Å; Y421-K466 PolarHBondContact O-NZ 3.2Å; Y421-H522 AromaticContact CE2-CD2 3.86Å; Y421-H522 AromaticContact CE2-NE2 3.5Å; Y421-H522 WeakPolarHBondContact CE2-NE2 3.46Å; Y421-H522 AromaticContact CZ-CD2 3.85Å; Y421-H522 AromaticContact CZ-NE2 3.58Å; Y421-H522 PolarHBondContact OH-CD2 2.94Å; Y421-H522 PolarHBondContact OH-NE2 3.29Å; Y421-L523 HydrophobicContact CD2-CD2 4.14Å; Y421-L523 HydrophobicContact CE2-CD2 3.98Å; Y421-V526 HydrophobicContact CE2-CG2 4.14Å; Y421-L540 HydrophobicContact CD2-CD2 4.38Å; Y421-F544 AromaticContact CD1-CE2 3.86Å; Y421-F544 HydrophobicContact CD1-CE2 3.86Å; Y421-F544 AromaticContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD2-CE2 4.08Å; Y421-F544 HydrophobicContact CD2-CZ 4.35Å; Y421-F544 HydrophobicContact CE1-CE2 4.44Å; Y421-F544 AromaticContact CE1-CZ 3.81Å; Y421-F544 HydrophobicContact CE1-CZ 3.81Å; Y421-F544 AromaticContact CG-CE2 3.66Å; Y421-F544 HydrophobicContact CG-CE2 3.66Å; Y421-F544 AromaticContact CG-CZ 3.87Å; Y421-F544 HydrophobicContact CG-CZ 3.87Å |
| 422 | R | 93 | Very high | 92.9 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 50% | 0.502 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -43.6 | 173.8 | -176.6 | 173.4 | 62.2 | 178.7 | -2.7 | 112.6 | G419 I420 M535 V543 | G419-R422 CarbonylContact O-C 3.57Å; G419-R422 WeakPolarHBondContact O-CA 3.28Å; G419-R422 WeakPolarHBondContact O-CB 3.31Å; G419-R422 PolarHBondContact O-N 2.87Å; I420-R422 PolarHBondContact O-N 2.84Å; R422-M535 HydrophobicContact CB-CE 3.81Å; R422-M535 HydrophobicContact CB-SD 3.68Å; R422-V543 HydrophobicContact CB-CG2 4.45Å |
| 423 | K | 92.7 | Very high | 92.8 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -75 | 121.5 | 174 | -67.3 | -178.3 | -172.9 | 161.2 | 0 | 109.1 | E418 G419 | E418-K423 VanDerWaalsContact CB-NZ 3.33Å; E418-K423 WeakPolarHBondContact O-CD 3.5Å; E418-K423 WeakPolarHBondContact O-CE 3.46Å; E418-K423 PolarHBondContact O-NZ 2.93Å; E418-K423 IonicContact OE2-NZ 2.77Å; G419-K423 PolarHBondContact O-N 3.24Å |
| 424 | S | 90.6 | Very high | 92.7 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 66% | 0.664 | 27% | 0.272 | S | S | * | . | trans | -75.3 | 142.1 | 178.1 | -65 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 425 | G | 90.5 | Very high | 92.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | trans | -78.2 | 178.7 | 168 | 0 | 0 | 0 | 0 | 0 | 112.8 | G427 I430 N459 S463 | G425-G427 PolarHBondContact O-N 2.59Å; G425-I430 WeakPolarHBondContact O-CD1 3.42Å; G425-N459 PolarHBondContact N-O 3.29Å; G425-S463 PolarHBondContact N-OG 3.27Å | ||
| 426 | V | 92.2 | Very high | 92.3 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | trans | -76.6 | 118.5 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | T428 K429 I430 | V426-T428 VanDerWaalsContact C-N 3.29Å; V426-T428 PolarHBondContact O-N 3.12Å; V426-T428 VanDerWaalsContact O-N 3.11Å; V426-K429 HydrophobicContact CB-CB 4.3Å; V426-K429 HydrophobicContact CB-CD 4.08Å; V426-K429 HydrophobicContact CB-CG 4.03Å; V426-K429 HydrophobicContact CG1-CG 4.29Å; V426-K429 HydrophobicContact CG2-CD 4.43Å; V426-K429 WeakPolarHBondContact O-CA 3.45Å; V426-K429 WeakPolarHBondContact O-CB 3.31Å; V426-K429 PolarHBondContact O-N 2.95Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.19Å | ||
| 427 | G | 88 | Confident | 91.9 | Very high | 46 Ų | 46 | 49.2 Ų | 49.2 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -51.9 | -37.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G425 S431 | G425-G427 PolarHBondContact O-N 2.59Å; G427-S431 WeakPolarHBondContact O-CB 3.34Å; G427-S431 PolarHBondContact O-N 3.27Å; G427-S431 PolarHBondContact O-OG 2.98Å |
| 428 | T | 91.5 | Very high | 91.4 | Very high | 111 Ų | 111 | 48 Ų | 48 | 68% | 0.681 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 175.8 | 51 | 0 | 0 | 0 | 0 | 112.3 | V426 S431 K432 | V426-T428 VanDerWaalsContact C-N 3.29Å; V426-T428 PolarHBondContact O-N 3.12Å; V426-T428 VanDerWaalsContact O-N 3.11Å; T428-S431 PolarHBondContact O-N 3.45Å; T428-K432 WeakPolarHBondContact O-CB 3.5Å; T428-K432 PolarHBondContact O-N 3.44Å |
| 429 | K | 93.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 174.5 | -62.3 | -173.1 | 174.7 | -168.8 | 0 | 111.9 | V426 S431 K432 L433 D454 L455 E457 T460 | V426-K429 HydrophobicContact CB-CB 4.3Å; V426-K429 HydrophobicContact CB-CD 4.08Å; V426-K429 HydrophobicContact CB-CG 4.03Å; V426-K429 HydrophobicContact CG1-CG 4.29Å; V426-K429 HydrophobicContact CG2-CD 4.43Å; V426-K429 WeakPolarHBondContact O-CA 3.45Å; V426-K429 WeakPolarHBondContact O-CB 3.31Å; V426-K429 PolarHBondContact O-N 2.95Å; K429-S431 VanDerWaalsContact C-N 3.3Å; K429-S431 PolarHBondContact O-N 3.46Å; K429-K432 PolarHBondContact O-N 3.3Å; K429-L433 WeakPolarHBondContact O-CB 3.45Å; K429-L433 PolarHBondContact O-N 3.42Å; K429-D454 WeakPolarHBondContact CD-O 3.42Å; K429-D454 VanDerWaalsContact CE-O 3.31Å; K429-D454 WeakPolarHBondContact CE-O 3.49Å; K429-D454 PolarHBondContact NZ-O 3.49Å; K429-L455 HydrophobicContact CB-CD2 3.81Å; K429-L455 HydrophobicContact CG-CD2 4.18Å; K429-E457 VanDerWaalsContact CD-OE2 3.29Å; K429-E457 WeakPolarHBondContact CD-OE2 3.38Å; K429-E457 IonicContact NZ-OE1 2.68Å; K429-E457 PolarHBondContact NZ-OE1 2.83Å; K429-E457 IonicContact NZ-OE2 2.71Å; K429-E457 PolarHBondContact NZ-OE2 2.85Å; K429-T460 HydrophobicContact CB-CG2 3.63Å |
| 430 | I | 92.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 177.5 | -61.2 | 164.6 | 0 | 0 | 0 | 110.1 | G425 V426 L433 L434 T460 A464 M467 | G425-I430 WeakPolarHBondContact O-CD1 3.42Å; V426-I430 WeakPolarHBondContact O-CG1 3.34Å; V426-I430 PolarHBondContact O-N 3.19Å; I430-L433 PolarHBondContact O-N 3.19Å; I430-L434 PolarHBondContact O-N 3.16Å; I430-T460 HydrophobicContact CG1-CG2 4.08Å; I430-A464 HydrophobicContact CG2-CB 3.96Å; I430-M467 HydrophobicContact CG2-CE 3.75Å |
| 431 | S | 90.7 | Very high | 88.1 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 179.1 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | G427 T428 K429 L434 A435 | G427-S431 WeakPolarHBondContact O-CB 3.34Å; G427-S431 PolarHBondContact O-N 3.27Å; G427-S431 PolarHBondContact O-OG 2.98Å; T428-S431 PolarHBondContact O-N 3.45Å; K429-S431 VanDerWaalsContact C-N 3.3Å; K429-S431 PolarHBondContact O-N 3.46Å; S431-L434 PolarHBondContact O-N 3.31Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3Å |
| 432 | K | 91.8 | Very high | 86.6 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 37% | 0.365 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 174 | 179.7 | 178.3 | 156 | -143.6 | 0 | 111.7 | T428 K429 A435 L436 D454 L455 | T428-K432 WeakPolarHBondContact O-CB 3.5Å; T428-K432 PolarHBondContact O-N 3.44Å; K429-K432 PolarHBondContact O-N 3.3Å; K432-A435 PolarHBondContact O-N 3.1Å; K432-L436 HydrophobicContact CG-CD1 3.9Å; K432-L436 VanDerWaalsContact O-CG 3.32Å; K432-L436 WeakPolarHBondContact O-CG 3.38Å; K432-L436 PolarHBondContact O-N 3.01Å; K432-L436 VanDerWaalsContact O-N 3.11Å; K432-D454 IonicContact NZ-OD1 2.76Å; K432-D454 PolarHBondContact NZ-OD1 3.16Å; K432-D454 IonicContact NZ-OD2 3.71Å; K432-D454 PolarHBondContact NZ-OD2 2.9Å; K432-L455 HydrophobicContact CB-CD2 4.18Å; K432-L455 HydrophobicContact CD-CD1 4.27Å; K432-L455 HydrophobicContact CD-CD2 3.86Å; K432-L455 HydrophobicContact CD-CG 4.48Å; K432-L455 HydrophobicContact CG-CD1 4.01Å; K432-L455 HydrophobicContact CG-CD2 4.07Å |
| 433 | L | 92.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68 | -39.5 | 178.3 | -179.8 | 57.6 | 0 | 0 | 0 | 112.8 | F402 K429 I430 G437 V446 F447 L455 M456 T460 I461 A464 | F402-L433 HydrophobicContact CE2-CG 4.35Å; K429-L433 WeakPolarHBondContact O-CB 3.45Å; K429-L433 PolarHBondContact O-N 3.42Å; I430-L433 PolarHBondContact O-N 3.19Å; L433-G437 WeakPolarHBondContact O-CA 3.49Å; L433-G437 PolarHBondContact O-N 3.12Å; L433-V446 HydrophobicContact CD1-CG1 3.7Å; L433-F447 HydrophobicContact CD1-CE1 4.38Å; L433-F447 HydrophobicContact CD1-CZ 4.31Å; L433-L455 HydrophobicContact CB-CD1 4.29Å; L433-L455 HydrophobicContact CD1-CD1 4.39Å; L433-M456 HydrophobicContact CD1-CE 3.77Å; L433-T460 HydrophobicContact CD2-CG2 4.29Å; L433-I461 HydrophobicContact CD2-CB 4.48Å; L433-I461 HydrophobicContact CD2-CG1 4.05Å; L433-A464 HydrophobicContact CD2-CB 3.86Å; L433-A464 HydrophobicContact CG-CB 4.24Å |
| 434 | L | 90.6 | Very high | 83.9 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 172.8 | -77.1 | 170.3 | 0 | 0 | 0 | 111.9 | Y393 F402 I430 S431 L436 G437 L438 A464 M467 | Y393-L434 HydrophobicContact CE2-CD1 4.49Å; F402-L434 HydrophobicContact CE1-CD2 3.64Å; F402-L434 HydrophobicContact CZ-CD2 3.65Å; F402-L434 HydrophobicContact CZ-CG 4.46Å; I430-L434 PolarHBondContact O-N 3.16Å; S431-L434 PolarHBondContact O-N 3.31Å; L434-L436 PolarHBondContact O-N 3.42Å; L434-G437 PolarHBondContact O-N 2.92Å; L434-L438 HydrophobicContact CD2-CD1 4.21Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 WeakPolarHBondContact O-CG 3.12Å; L434-L438 PolarHBondContact O-N 3.15Å; L434-L438 VanDerWaalsContact O-N 3.09Å; L434-A464 HydrophobicContact CD2-CB 4.5Å; L434-A464 HydrophobicContact CG-CB 4.33Å; L434-M467 HydrophobicContact CD1-CB 4.16Å; L434-M467 HydrophobicContact CD1-CE 3.47Å; L434-M467 VanDerWaalsContact CD1-CE 3.47Å; L434-M467 HydrophobicContact CD1-CG 4.06Å |
| 435 | A | 88.6 | Confident | 83.2 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S431 K432 N439 | S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3Å; K432-A435 PolarHBondContact O-N 3.1Å; A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-ND2 3.48Å |
| 436 | L | 89.3 | Confident | 82.9 | Confident | 32 Ų | 32 | 59 Ų | 59 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -81.2 | -39.9 | 178.2 | -59.1 | 170.3 | 0 | 0 | 0 | 112.1 | K432 L434 L438 N439 V446 Y452 L455 | K432-L436 HydrophobicContact CG-CD1 3.9Å; K432-L436 VanDerWaalsContact O-CG 3.32Å; K432-L436 WeakPolarHBondContact O-CG 3.38Å; K432-L436 PolarHBondContact O-N 3.01Å; K432-L436 VanDerWaalsContact O-N 3.11Å; L434-L436 PolarHBondContact O-N 3.42Å; L436-L438 PolarHBondContact O-N 3.01Å; L436-N439 WeakPolarHBondContact O-CB 3.39Å; L436-N439 PolarHBondContact O-N 2.85Å; L436-V446 HydrophobicContact CB-CG1 4.3Å; L436-V446 HydrophobicContact CB-CG2 3.54Å; L436-V446 HydrophobicContact CD1-CG2 4.48Å; L436-Y452 HydrophobicContact CD1-CD1 4.21Å; L436-Y452 HydrophobicContact CD1-CE1 4.01Å; L436-L455 HydrophobicContact CD1-CD1 4.21Å |
| 437 | G | 86.1 | Confident | 82.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73 | -21.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L433 L434 S443 | L433-G437 WeakPolarHBondContact O-CA 3.49Å; L433-G437 PolarHBondContact O-N 3.12Å; L434-G437 PolarHBondContact O-N 2.92Å; G437-S443 WeakPolarHBondContact O-CB 3.46Å |
| 438 | L | 86.2 | Confident | 82.1 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -10.3 | 173.5 | -64.7 | 169.7 | 0 | 0 | 0 | 112.8 | Y393 F402 L434 L436 Q440 Y468 | Y393-L438 HydrophobicContact CD1-CD1 4.03Å; Y393-L438 HydrophobicContact CE1-CD1 3.67Å; Y393-L438 HydrophobicContact CE2-CD1 4.42Å; F402-L438 HydrophobicContact CB-CD2 3.78Å; F402-L438 HydrophobicContact CD1-CD2 4.17Å; F402-L438 HydrophobicContact CG-CD2 3.91Å; F402-L438 HydrophobicContact CG-CG 4.42Å; L434-L438 HydrophobicContact CD2-CD1 4.21Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 WeakPolarHBondContact O-CG 3.12Å; L434-L438 PolarHBondContact O-N 3.15Å; L434-L438 VanDerWaalsContact O-N 3.09Å; L436-L438 PolarHBondContact O-N 3.01Å; L438-Q440 PolarHBondContact O-N 3.42Å; L438-Y468 HydrophobicContact CD1-CD2 4.31Å; L438-Y468 HydrophobicContact CD2-CD2 4.01Å; L438-Y468 HydrophobicContact CD2-CE2 4.05Å |
| 439 | N | 81.3 | Confident | 81.7 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | trans | -76.5 | 108.3 | 173.6 | -78.7 | -17.9 | 0 | 0 | 0 | 110.2 | A435 L436 K441 E442 S443 | A435-N439 VanDerWaalsContact O-CG 3.28Å; A435-N439 PolarHBondContact O-ND2 3.48Å; L436-N439 WeakPolarHBondContact O-CB 3.39Å; L436-N439 PolarHBondContact O-N 2.85Å; N439-K441 PolarHBondContact O-N 2.68Å; N439-E442 HydrophobicContact CB-CB 4.27Å; N439-E442 HydrophobicContact CB-CG 4.48Å; N439-E442 PolarHBondContact ND2-OE2 3.12Å; N439-E442 PolarHBondContact O-N 3.47Å; N439-S443 WeakPolarHBondContact O-CB 3.48Å; N439-S443 PolarHBondContact O-N 3.47Å | ||
| 440 | Q | 66.7 | Low | 81.1 | Confident | 140 Ų | 140 | 61.8 Ų | 61.8 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -13.3 | 177.8 | -67.6 | -178.1 | -11.1 | 0 | 0 | 115.7 | A398 L438 | A398-Q440 HydrophobicContact CB-CG 3.95Å; L438-Q440 PolarHBondContact O-N 3.42Å |
| 441 | K | 64.6 | Low | 80.7 | Confident | 199 Ų | 199 | 67.8 Ų | 67.8 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -12.1 | 177.2 | -67.9 | -172.9 | 176.4 | -176.4 | 0 | 114.5 | N439 | N439-K441 PolarHBondContact O-N 2.68Š|
| 442 | E | 64.5 | Low | 80.5 | Confident | 69 Ų | 69 | 65.8 Ų | 65.8 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -12.3 | -173.4 | -59.4 | 177.7 | 135.5 | 0 | 0 | 111.9 | N439 D444 D445 V446 | N439-E442 HydrophobicContact CB-CB 4.27Å; N439-E442 HydrophobicContact CB-CG 4.48Å; N439-E442 PolarHBondContact ND2-OE2 3.12Å; N439-E442 PolarHBondContact O-N 3.47Å; E442-D444 VanDerWaalsContact C-N 3.29Å; E442-D444 PolarHBondContact O-N 2.84Å; E442-D444 VanDerWaalsContact O-N 3.14Å; E442-D445 PolarHBondContact O-N 3.02Å; E442-V446 HydrophobicContact CB-CG2 4.4Å; E442-V446 WeakPolarHBondContact O-CG2 3.31Å; E442-V446 PolarHBondContact O-N 3.18Å |
| 443 | S | 64.6 | Low | 80.2 | Confident | 13 Ų | 13 | 70.2 Ų | 70.2 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.4 | -166.2 | 57.5 | 0 | 0 | 0 | 0 | 115.5 | G437 N439 F447 | G437-S443 WeakPolarHBondContact O-CB 3.46Å; N439-S443 WeakPolarHBondContact O-CB 3.48Å; N439-S443 PolarHBondContact O-N 3.47Å; S443-F447 VanDerWaalsContact O-CD2 3.32Å; S443-F447 WeakPolarHBondContact O-CD2 3.43Å |
| 444 | D | 66 | Low | 80 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -37.8 | 178.4 | -87.5 | -1.5 | 0 | 0 | 0 | 112.6 | R405 E442 V446 V448 | R405-D444 IonicContact CZ-OD1 2.72Å; R405-D444 VanDerWaalsContact CZ-OD1 3.24Å; R405-D444 IonicContact NE-OD1 3.23Å; R405-D444 PolarHBondContact NE-OD1 3.31Å; R405-D444 IonicContact NH2-OD1 2.95Å; R405-D444 PolarHBondContact NH2-OD1 3.13Å; R405-D444 IonicContact NH2-OD2 3.24Å; R405-D444 PolarHBondContact NH2-OD2 3.23Å; E442-D444 VanDerWaalsContact C-N 3.29Å; E442-D444 PolarHBondContact O-N 2.84Å; E442-D444 VanDerWaalsContact O-N 3.14Å; D444-V446 VanDerWaalsContact C-N 3.29Å; D444-V446 PolarHBondContact O-N 3.12Å; D444-V448 WeakPolarHBondContact O-CG2 3.4Å |
| 445 | D | 76.1 | Confident | 79.9 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -61.8 | -39 | 175.9 | -63.7 | -23.5 | 0 | 0 | 0 | 111.1 | E442 F447 V448 D449 Y452 | E442-D445 PolarHBondContact O-N 3.02Å; D445-F447 PolarHBondContact O-N 2.6Å; D445-F447 VanDerWaalsContact O-N 3.11Å; D445-V448 PolarHBondContact O-N 3.08Å; D445-D449 WeakPolarHBondContact O-CB 3.48Å; D445-D449 PolarHBondContact O-N 3.34Å; D445-Y452 HydrophobicContact CB-CE2 4.41Å |
| 446 | V | 82.7 | Confident | 80 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -58.7 | -27.3 | -174.5 | 170.4 | 0 | 0 | 0 | 0 | 114.2 | L433 L436 E442 D444 Y452 M456 | L433-V446 HydrophobicContact CD1-CG1 3.7Å; L436-V446 HydrophobicContact CB-CG1 4.3Å; L436-V446 HydrophobicContact CB-CG2 3.54Å; L436-V446 HydrophobicContact CD1-CG2 4.48Å; E442-V446 HydrophobicContact CB-CG2 4.4Å; E442-V446 WeakPolarHBondContact O-CG2 3.31Å; E442-V446 PolarHBondContact O-N 3.18Å; D444-V446 VanDerWaalsContact C-N 3.29Å; D444-V446 PolarHBondContact O-N 3.12Å; V446-Y452 HydrophobicContact CG2-CD2 4.49Å; V446-Y452 HydrophobicContact CG2-CE2 4.37Å; V446-M456 VanDerWaalsContact O-CE 3.27Å; V446-M456 WeakPolarHBondContact O-CE 3.44Å |
| 447 | F | 83.7 | Confident | 80.1 | Confident | 23 Ų | 23 | 74.3 Ų | 74.3 | 10% | 0.101 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -100.4 | -2.1 | 179.1 | -66.9 | -86.2 | 0 | 0 | 0 | 113.9 | F402 R405 V409 L433 S443 D445 M456 | F402-F447 HydrophobicContact CD2-CE2 4.28Å; F402-F447 HydrophobicContact CD2-CZ 4.02Å; F402-F447 AromaticContact CE2-CZ 3.98Å; F402-F447 HydrophobicContact CE2-CZ 3.98Å; R405-F447 HydrophobicContact CB-CD1 4.2Å; R405-F447 HydrophobicContact CB-CD2 3.64Å; R405-F447 HydrophobicContact CB-CE1 4.07Å; R405-F447 HydrophobicContact CB-CE2 3.5Å; R405-F447 VanDerWaalsContact CB-CE2 3.5Å; R405-F447 HydrophobicContact CB-CG 3.99Å; R405-F447 HydrophobicContact CB-CZ 3.72Å; R405-F447 HydrophobicContact CG-CD2 3.98Å; R405-F447 HydrophobicContact CG-CE2 4.09Å; V409-F447 HydrophobicContact CG2-CD1 4.13Å; L433-F447 HydrophobicContact CD1-CE1 4.38Å; L433-F447 HydrophobicContact CD1-CZ 4.31Å; S443-F447 VanDerWaalsContact O-CD2 3.32Å; S443-F447 WeakPolarHBondContact O-CD2 3.43Å; D445-F447 PolarHBondContact O-N 2.6Å; D445-F447 VanDerWaalsContact O-N 3.11Å; F447-M456 HydrophobicContact CD1-CE 3.98Å; F447-M456 HydrophobicContact CD1-SD 3.92Å; F447-M456 HydrophobicContact CE1-CE 4.36Å |
| 448 | V | 81.1 | Confident | 80.5 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | -37.8 | -171 | -177.1 | 0 | 0 | 0 | 0 | 113.2 | D444 D445 | D444-V448 WeakPolarHBondContact O-CG2 3.4Å; D445-V448 PolarHBondContact O-N 3.08Å |
| 449 | D | 81.6 | Confident | 80.8 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | trans | -72.3 | 124.7 | -179.5 | 175.9 | 7.4 | 0 | 0 | 0 | 111.5 | D445 K451 Y452 | D445-D449 WeakPolarHBondContact O-CB 3.48Å; D445-D449 PolarHBondContact O-N 3.34Å; D449-K451 HydrophobicContact CB-CB 4.49Å; D449-K451 PolarHBondContact O-N 3.04Å; D449-K451 WeakPolarHBondContact OD1-CB 3.37Å; D449-K451 PolarHBondContact OD1-N 3.07Å; D449-K451 WeakPolarHBondContact OD2-CB 3.34Å; D449-K451 WeakPolarHBondContact OD2-CD 3.31Å; D449-Y452 HydrophobicContact CB-CD2 3.9Å; D449-Y452 HydrophobicContact CB-CE2 4.09Å; D449-Y452 PolarHBondContact O-N 3.36Å | ||
| 450 | D | 81.8 | Confident | 81.5 | Confident | 117 Ų | 117 | 71.7 Ų | 71.7 | 63% | 0.626 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -52.3 | -26.3 | 176.4 | -105.1 | -54 | 0 | 0 | 0 | 112.6 | Y452 R453 | D450-Y452 PolarHBondContact O-N 2.63Å; D450-Y452 VanDerWaalsContact O-N 3.15Å; D450-R453 WeakPolarHBondContact O-CB 3.08Å; D450-R453 PolarHBondContact O-N 3.15Å; D450-R453 VanDerWaalsContact O-N 3.08Å; D450-R453 VanDerWaalsContact OD1-CD 3.26Å; D450-R453 WeakPolarHBondContact OD1-CD 3.43Å; D450-R453 IonicContact OD1-NH1 3.88Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å |
| 451 | K | 85.2 | Confident | 82.9 | Confident | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -52.7 | -30.1 | 172.1 | -175.8 | -172.5 | 173.1 | -162.7 | 0 | 113.9 | D449 | D449-K451 HydrophobicContact CB-CB 4.49Å; D449-K451 PolarHBondContact O-N 3.04Å; D449-K451 WeakPolarHBondContact OD1-CB 3.37Å; D449-K451 PolarHBondContact OD1-N 3.07Å; D449-K451 WeakPolarHBondContact OD2-CB 3.34Å; D449-K451 WeakPolarHBondContact OD2-CD 3.31Å |
| 452 | Y | 85.6 | Confident | 84.4 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -105.9 | 11.4 | -178.6 | -51.6 | -67.6 | 0 | 0 | 0 | 113.4 | L436 D445 V446 D449 D450 D454 L455 | L436-Y452 HydrophobicContact CD1-CD1 4.21Å; L436-Y452 HydrophobicContact CD1-CE1 4.01Å; D445-Y452 HydrophobicContact CB-CE2 4.41Å; V446-Y452 HydrophobicContact CG2-CD2 4.49Å; V446-Y452 HydrophobicContact CG2-CE2 4.37Å; D449-Y452 HydrophobicContact CB-CD2 3.9Å; D449-Y452 HydrophobicContact CB-CE2 4.09Å; D449-Y452 PolarHBondContact O-N 3.36Å; D450-Y452 PolarHBondContact O-N 2.63Å; D450-Y452 VanDerWaalsContact O-N 3.15Å; Y452-D454 PolarHBondContact O-N 3.32Å; Y452-L455 WeakPolarHBondContact O-CB 3.12Å; Y452-L455 PolarHBondContact O-N 3.49Å |
| 453 | R | 86 | Confident | 85.9 | Confident | 178 Ų | 178 | 52.6 Ų | 52.6 | 67% | 0.672 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22 | 177 | -176.4 | 169.3 | 172 | 179.9 | -1.8 | 113.6 | D450 L455 M456 | D450-R453 WeakPolarHBondContact O-CB 3.08Å; D450-R453 PolarHBondContact O-N 3.15Å; D450-R453 VanDerWaalsContact O-N 3.08Å; D450-R453 VanDerWaalsContact OD1-CD 3.26Å; D450-R453 WeakPolarHBondContact OD1-CD 3.43Å; D450-R453 IonicContact OD1-NH1 3.88Å; D450-R453 PolarHBondContact OD1-NH1 2.88Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.95Å; R453-M456 PolarHBondContact O-N 3.19Å |
| 454 | D | 86.9 | Confident | 87.4 | Confident | 65 Ų | 65 | 52 Ų | 52 | 35% | 0.348 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.4 | 171.8 | 78.2 | -58.3 | 0 | 0 | 0 | 113.4 | K429 K432 Y452 | K429-D454 WeakPolarHBondContact CD-O 3.42Å; K429-D454 VanDerWaalsContact CE-O 3.31Å; K429-D454 WeakPolarHBondContact CE-O 3.49Å; K429-D454 PolarHBondContact NZ-O 3.49Å; K432-D454 IonicContact NZ-OD1 2.76Å; K432-D454 PolarHBondContact NZ-OD1 3.16Å; K432-D454 IonicContact NZ-OD2 3.71Å; K432-D454 PolarHBondContact NZ-OD2 2.9Å; Y452-D454 PolarHBondContact O-N 3.32Å |
| 455 | L | 88.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -23.8 | 177.8 | -58.6 | -177.2 | 0 | 0 | 0 | 112.8 | K429 K432 L433 L436 Y452 R453 E457 T460 | K429-L455 HydrophobicContact CB-CD2 3.81Å; K429-L455 HydrophobicContact CG-CD2 4.18Å; K432-L455 HydrophobicContact CB-CD2 4.18Å; K432-L455 HydrophobicContact CD-CD1 4.27Å; K432-L455 HydrophobicContact CD-CD2 3.86Å; K432-L455 HydrophobicContact CD-CG 4.48Å; K432-L455 HydrophobicContact CG-CD1 4.01Å; K432-L455 HydrophobicContact CG-CD2 4.07Å; L433-L455 HydrophobicContact CB-CD1 4.29Å; L433-L455 HydrophobicContact CD1-CD1 4.39Å; L436-L455 HydrophobicContact CD1-CD1 4.21Å; Y452-L455 WeakPolarHBondContact O-CB 3.12Å; Y452-L455 PolarHBondContact O-N 3.49Å; R453-L455 VanDerWaalsContact C-N 3.3Å; R453-L455 PolarHBondContact O-N 2.95Å; L455-E457 PolarHBondContact O-N 2.88Å; L455-T460 WeakPolarHBondContact O-CG2 3.48Å |
| 456 | M | 90.5 | Very high | 89.7 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | trans | -76.8 | 33 | -173 | -64.2 | -60.7 | 113.5 | 0 | 0 | 114.1 | R413 L433 V446 F447 R453 I461 | R413-M456 PolarHBondContact NH2-O 3.19Å; L433-M456 HydrophobicContact CD1-CE 3.77Å; V446-M456 VanDerWaalsContact O-CE 3.27Å; V446-M456 WeakPolarHBondContact O-CE 3.44Å; F447-M456 HydrophobicContact CD1-CE 3.98Å; F447-M456 HydrophobicContact CD1-SD 3.92Å; F447-M456 HydrophobicContact CE1-CE 4.36Å; R453-M456 PolarHBondContact O-N 3.19Å; M456-I461 HydrophobicContact SD-CD1 3.91Å | ||
| 457 | E | 91.9 | Very high | 90.2 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | trans | -80.4 | 132.7 | 167.9 | -68.5 | 164 | 160.7 | 0 | 0 | 109.8 | K429 L455 N459 T460 I461 | K429-E457 VanDerWaalsContact CD-OE2 3.29Å; K429-E457 WeakPolarHBondContact CD-OE2 3.38Å; K429-E457 IonicContact NZ-OE1 2.68Å; K429-E457 PolarHBondContact NZ-OE1 2.83Å; K429-E457 IonicContact NZ-OE2 2.71Å; K429-E457 PolarHBondContact NZ-OE2 2.85Å; L455-E457 PolarHBondContact O-N 2.88Å; E457-N459 VanDerWaalsContact C-N 3.3Å; E457-N459 PolarHBondContact O-N 2.82Å; E457-T460 WeakPolarHBondContact O-CA 3.31Å; E457-T460 WeakPolarHBondContact O-CB 3.29Å; E457-T460 PolarHBondContact O-N 3.28Å; E457-T460 PolarHBondContact OE2-OG1 3Å; E457-I461 PolarHBondContact O-N 2.94Å | ||
| 458 | S | 94.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -41.6 | -175.2 | -43.9 | 0 | 0 | 0 | 0 | 112.9 | R413 D417 T460 I461 A462 | R413-S458 PolarHBondContact NH1-OG 3.41Å; D417-S458 WeakPolarHBondContact OD2-CB 3.48Å; D417-S458 PolarHBondContact OD2-OG 3.05Å; S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact O-N 2.84Å; S458-I461 PolarHBondContact O-N 3.04Å; S458-A462 WeakPolarHBondContact O-CB 3.25Å; S458-A462 PolarHBondContact O-N 3.4Å |
| 459 | N | 94.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.7 | -30.9 | 175.7 | -66.4 | -28.2 | 0 | 0 | 0 | 112.8 | G425 E457 S463 | G425-N459 PolarHBondContact N-O 3.29Å; E457-N459 VanDerWaalsContact C-N 3.3Å; E457-N459 PolarHBondContact O-N 2.82Å; N459-S463 WeakPolarHBondContact O-CB 3.47Å; N459-S463 PolarHBondContact O-N 2.9Å; N459-S463 PolarHBondContact O-OG 3.44Å |
| 460 | T | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.6 | -47 | 176.3 | -66 | 0 | 0 | 0 | 0 | 110.6 | K429 I430 L433 L455 E457 S458 S463 A464 | K429-T460 HydrophobicContact CB-CG2 3.63Å; I430-T460 HydrophobicContact CG1-CG2 4.08Å; L433-T460 HydrophobicContact CD2-CG2 4.29Å; L455-T460 WeakPolarHBondContact O-CG2 3.48Å; E457-T460 WeakPolarHBondContact O-CA 3.31Å; E457-T460 WeakPolarHBondContact O-CB 3.29Å; E457-T460 PolarHBondContact O-N 3.28Å; E457-T460 PolarHBondContact OE2-OG1 3Å; S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact O-N 2.84Å; T460-S463 PolarHBondContact O-N 3.34Å; T460-A464 WeakPolarHBondContact O-CB 3.41Å; T460-A464 PolarHBondContact O-N 2.74Å |
| 461 | I | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -49.8 | 174.9 | -58.1 | 173.6 | 0 | 0 | 0 | 110.8 | C406 V409 L410 L433 M456 E457 S458 S463 A464 L465 | C406-I461 HydrophobicContact CB-CG2 3.67Å; V409-I461 HydrophobicContact CB-CD1 4.19Å; V409-I461 HydrophobicContact CG1-CD1 3.51Å; L410-I461 HydrophobicContact CD1-CG2 3.98Å; L410-I461 HydrophobicContact CD2-CB 4.2Å; L410-I461 HydrophobicContact CD2-CG2 4.3Å; L410-I461 HydrophobicContact CG-CB 4.39Å; L410-I461 HydrophobicContact CG-CG2 3.94Å; L433-I461 HydrophobicContact CD2-CB 4.48Å; L433-I461 HydrophobicContact CD2-CG1 4.05Å; M456-I461 HydrophobicContact SD-CD1 3.91Å; E457-I461 PolarHBondContact O-N 2.94Å; S458-I461 PolarHBondContact O-N 3.04Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.39Å; I461-A464 PolarHBondContact O-N 2.95Å; I461-A464 VanDerWaalsContact O-N 3.1Å; I461-L465 PolarHBondContact O-N 3.4Å |
| 462 | A | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L410 I420 Y421 S458 K466 | L410-A462 HydrophobicContact CD1-CB 4.03Å; I420-A462 HydrophobicContact CG1-CB 4.18Å; Y421-A462 HydrophobicContact CD1-CB 3.59Å; Y421-A462 WeakPolarHBondContact CD1-O 3.43Å; Y421-A462 HydrophobicContact CE1-CB 3.55Å; Y421-A462 WeakPolarHBondContact CE1-O 3.45Å; Y421-A462 HydrophobicContact CG-CB 4.22Å; S458-A462 WeakPolarHBondContact O-CB 3.25Å; S458-A462 PolarHBondContact O-N 3.4Å; A462-K466 WeakPolarHBondContact O-CG 3.2Å; A462-K466 PolarHBondContact O-N 3.33Å |
| 463 | S | 95.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.1 | -33.1 | 175.2 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | G425 N459 T460 I461 M467 | G425-S463 PolarHBondContact N-OG 3.27Å; N459-S463 WeakPolarHBondContact O-CB 3.47Å; N459-S463 PolarHBondContact O-N 2.9Å; N459-S463 PolarHBondContact O-OG 3.44Å; T460-S463 PolarHBondContact O-N 3.34Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.39Å; S463-M467 WeakPolarHBondContact O-CB 3.33Å; S463-M467 PolarHBondContact O-N 3.48Å |
| 464 | A | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F402 I430 L433 L434 T460 I461 K466 M467 Y468 | F402-A464 HydrophobicContact CZ-CB 3.98Å; I430-A464 HydrophobicContact CG2-CB 3.96Å; L433-A464 HydrophobicContact CD2-CB 3.86Å; L433-A464 HydrophobicContact CG-CB 4.24Å; L434-A464 HydrophobicContact CD2-CB 4.5Å; L434-A464 HydrophobicContact CG-CB 4.33Å; T460-A464 WeakPolarHBondContact O-CB 3.41Å; T460-A464 PolarHBondContact O-N 2.74Å; I461-A464 PolarHBondContact O-N 2.95Å; I461-A464 VanDerWaalsContact O-N 3.1Å; A464-K466 PolarHBondContact O-N 3.02Å; A464-M467 PolarHBondContact O-N 2.92Å; A464-M467 VanDerWaalsContact O-N 3.15Å; A464-Y468 PolarHBondContact O-N 2.92Å |
| 465 | L | 96.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.5 | -52 | 171.4 | -177.6 | 150 | 0 | 0 | 0 | 111.4 | I403 C406 I407 Y421 I461 M467 Y468 L469 F544 | I403-L465 HydrophobicContact CD1-CB 4.29Å; I403-L465 HydrophobicContact CD1-CD1 4.35Å; I403-L465 HydrophobicContact CD1-CG 3.73Å; I403-L465 HydrophobicContact CG2-CD1 4.4Å; C406-L465 HydrophobicContact CB-CB 4.34Å; C406-L465 HydrophobicContact CB-CD1 3.96Å; I407-L465 HydrophobicContact CD1-CD1 4.32Å; I407-L465 HydrophobicContact CG1-CD1 3.77Å; Y421-L465 HydrophobicContact CE1-CB 4.48Å; Y421-L465 HydrophobicContact CE1-CD2 3.89Å; I461-L465 PolarHBondContact O-N 3.4Å; L465-M467 VanDerWaalsContact C-N 3.33Å; L465-M467 PolarHBondContact O-N 2.76Å; L465-Y468 PolarHBondContact O-N 3.33Å; L465-L469 HydrophobicContact CD2-CD1 3.7Å; L465-L469 HydrophobicContact CG-CD1 4.47Å; L465-L469 WeakPolarHBondContact O-CG 3.2Å; L465-L469 PolarHBondContact O-N 3.48Å; L465-F544 HydrophobicContact CD2-CE1 4.08Å; L465-F544 HydrophobicContact CD2-CZ 4.21Å |
| 466 | K | 95.3 | Very high | 93.1 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 15% | 0.152 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.3 | -71.6 | -172.9 | -54.1 | 169.3 | 0 | 112.4 | Y421 A462 A464 L469 R470 V543 F544 | Y421-K466 HydrophobicContact CD1-CD 4.08Å; Y421-K466 HydrophobicContact CD1-CG 3.93Å; Y421-K466 HydrophobicContact CE1-CG 4.49Å; Y421-K466 WeakPolarHBondContact O-CE 3.39Å; Y421-K466 PolarHBondContact O-NZ 3.2Å; A462-K466 WeakPolarHBondContact O-CG 3.2Å; A462-K466 PolarHBondContact O-N 3.33Å; A464-K466 PolarHBondContact O-N 3.02Å; K466-L469 PolarHBondContact O-N 3.46Å; K466-R470 VanDerWaalsContact O-CB 3.29Å; K466-R470 WeakPolarHBondContact O-CB 3.26Å; K466-R470 PolarHBondContact O-N 2.91Å; K466-V543 HydrophobicContact CD-CG1 3.51Å; K466-F544 HydrophobicContact CD-CZ 4.36Å; K466-F544 HydrophobicContact CG-CE1 4.06Å; K466-F544 HydrophobicContact CG-CZ 3.85Å |
| 467 | M | 93.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 27.4 Ų | 27.4 | 21% | 0.207 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72 | -34.2 | -175.8 | -169.7 | 153.2 | 89.1 | 0 | 0 | 112.5 | I430 L434 S463 A464 L465 N471 | I430-M467 HydrophobicContact CG2-CE 3.75Å; L434-M467 HydrophobicContact CD1-CB 4.16Å; L434-M467 HydrophobicContact CD1-CE 3.47Å; L434-M467 VanDerWaalsContact CD1-CE 3.47Å; L434-M467 HydrophobicContact CD1-CG 4.06Å; S463-M467 WeakPolarHBondContact O-CB 3.33Å; S463-M467 PolarHBondContact O-N 3.48Å; A464-M467 PolarHBondContact O-N 2.92Å; A464-M467 VanDerWaalsContact O-N 3.15Å; L465-M467 VanDerWaalsContact C-N 3.33Å; L465-M467 PolarHBondContact O-N 2.76Å; M467-N471 WeakPolarHBondContact O-CB 3.44Å; M467-N471 PolarHBondContact O-N 2.93Å; M467-N471 PolarHBondContact O-OD1 3.25Å |
| 468 | Y | 95 | Very high | 93.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -55.7 | 167.3 | 170.7 | -93.9 | 0 | 0 | 0 | 110.7 | Y393 H394 G399 F402 I403 L438 A464 L465 R470 N471 L472 M515 | Y393-Y468 AromaticContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CD2 3.66Å; Y393-Y468 HydrophobicContact CD2-CE2 4.27Å; Y393-Y468 HydrophobicContact CD2-CG 4.32Å; Y393-Y468 HydrophobicContact CE2-CD2 4.33Å; Y393-Y468 AromaticContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CD2 3.93Å; Y393-Y468 HydrophobicContact CG-CE2 4.1Å; H394-Y468 PolarHBondContact O-OH 3.44Å; G399-Y468 WeakPolarHBondContact CA-OH 3.41Å; F402-Y468 HydrophobicContact CD1-CG 4.42Å; I403-Y468 HydrophobicContact CD1-CD1 3.48Å; I403-Y468 VanDerWaalsContact CD1-CD1 3.48Å; I403-Y468 HydrophobicContact CD1-CE1 4.17Å; I403-Y468 HydrophobicContact CD1-CG 4.11Å; I403-Y468 HydrophobicContact CG1-CD1 3.59Å; I403-Y468 HydrophobicContact CG1-CE1 3.76Å; I403-Y468 HydrophobicContact CG1-CG 4.38Å; L438-Y468 HydrophobicContact CD1-CD2 4.31Å; L438-Y468 HydrophobicContact CD2-CD2 4.01Å; L438-Y468 HydrophobicContact CD2-CE2 4.05Å; A464-Y468 PolarHBondContact O-N 2.92Å; L465-Y468 PolarHBondContact O-N 3.33Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.43Å; Y468-N471 CarbonylContact O-C 3.54Å; Y468-N471 PolarHBondContact O-N 3.27Å; Y468-L472 HydrophobicContact CE1-CD2 4Å; Y468-L472 HydrophobicContact CE1-CG 4.4Å; Y468-L472 HydrophobicContact CE2-CD2 4.34Å; Y468-L472 PolarHBondContact O-N 3.16Å; Y468-L472 VanDerWaalsContact O-N 3.15Å; Y468-M515 HydrophobicContact CE1-SD 4.45Å |
| 469 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | -177.3 | -64.5 | 172.7 | 0 | 0 | 0 | 112.8 | I403 L465 K466 L472 L476 M515 V519 F544 T547 L548 R550 | I403-L469 HydrophobicContact CD1-CD2 4.46Å; I403-L469 HydrophobicContact CD1-CG 4.29Å; L465-L469 HydrophobicContact CD2-CD1 3.7Å; L465-L469 HydrophobicContact CG-CD1 4.47Å; L465-L469 WeakPolarHBondContact O-CG 3.2Å; L465-L469 PolarHBondContact O-N 3.48Å; K466-L469 PolarHBondContact O-N 3.46Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L469-L476 HydrophobicContact CD2-CD2 4.33Å; L469-M515 HydrophobicContact CD2-CG 4.25Å; L469-M515 HydrophobicContact CD2-SD 4.48Å; L469-V519 HydrophobicContact CD1-CG1 4.33Å; L469-V519 HydrophobicContact CD1-CG2 3.94Å; L469-F544 HydrophobicContact CD1-CE1 4.42Å; L469-T547 HydrophobicContact CB-CG2 4.02Å; L469-L548 HydrophobicContact CB-CD2 4.28Å; L469-L548 HydrophobicContact CD1-CD2 4.05Å; L469-R550 PolarHBondContact O-NH1 2.83Å |
| 470 | R | 91.1 | Very high | 92.9 | Very high | 136 Ų | 136 | 31.3 Ų | 31.3 | 51% | 0.513 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71.7 | -32.3 | 175 | -169 | 177.9 | 66.7 | 176.3 | -1.6 | 113.3 | K466 Y468 T547 R550 | K466-R470 VanDerWaalsContact O-CB 3.29Å; K466-R470 WeakPolarHBondContact O-CB 3.26Å; K466-R470 PolarHBondContact O-N 2.91Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.43Å; R470-T547 HydrophobicContact CB-CG2 4.35Å; R470-R550 PolarHBondContact O-NE 2.85Å; R470-R550 PolarHBondContact O-NH1 3.07Å; R470-R550 PolarHBondContact O-NH2 3.04Å |
| 471 | N | 90.6 | Very high | 92.8 | Very high | 54 Ų | 54 | 33.2 Ų | 33.2 | 29% | 0.289 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -95.2 | 4.9 | -175.7 | -66.5 | 9.9 | 0 | 0 | 0 | 113.5 | Y393 M467 Y468 | Y393-N471 HydrophobicContact CD2-CB 3.53Å; Y393-N471 HydrophobicContact CE2-CB 3.58Å; Y393-N471 PolarHBondContact N-O 2.94Å; M467-N471 WeakPolarHBondContact O-CB 3.44Å; M467-N471 PolarHBondContact O-N 2.93Å; M467-N471 PolarHBondContact O-OD1 3.25Å; Y468-N471 CarbonylContact O-C 3.54Å; Y468-N471 PolarHBondContact O-N 3.27Å |
| 472 | L | 90.1 | Very high | 92.7 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -55.6 | 145.4 | 167.1 | -71.8 | 170.6 | 0 | 0 | 0 | 111.1 | Y393 L395 Y468 L469 E474 L476 R550 | Y393-L472 CarbonylContact O-C 3.59Å; Y393-L472 WeakPolarHBondContact O-CA 3.21Å; L395-L472 HydrophobicContact CD2-CD1 3.85Å; L395-L472 HydrophobicContact CD2-CD2 3.85Å; L395-L472 HydrophobicContact CG-CD1 4.4Å; L395-L472 HydrophobicContact CG-CD2 4.1Å; Y468-L472 HydrophobicContact CE1-CD2 4Å; Y468-L472 HydrophobicContact CE1-CG 4.4Å; Y468-L472 HydrophobicContact CE2-CD2 4.34Å; Y468-L472 PolarHBondContact O-N 3.16Å; Y468-L472 VanDerWaalsContact O-N 3.15Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L472-E474 WeakPolarHBondContact CB-O 3.37Å; L472-E474 PolarHBondContact O-N 3.28Å; L472-L476 HydrophobicContact CD1-CB 4.49Å; L472-R550 PolarHBondContact O-NH2 3.42Å |
| 473 | N | 85.4 | Confident | 92.4 | Very high | 81 Ų | 81 | 38 Ų | 38 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -54.7 | -32.7 | 177 | 62.7 | -5.7 | 0 | 0 | 0 | 113.6 | A392 Y393 H394 | A392-N473 HydrophobicContact CB-CB 3.93Å; Y393-N473 PolarHBondContact O-N 3.38Å; H394-N473 PolarHBondContact CD2-ND2 3.16Å; H394-N473 PolarHBondContact NE2-ND2 3.43Å |
| 474 | E | 86.7 | Confident | 92.3 | Very high | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -128 | 149.8 | 171.2 | -164.2 | 173.9 | -163.9 | 0 | 0 | 109.1 | L472 T478 Y479 R550 | L472-E474 WeakPolarHBondContact CB-O 3.37Å; L472-E474 PolarHBondContact O-N 3.28Å; E474-T478 WeakPolarHBondContact OE1-CA 3.5Å; E474-T478 WeakPolarHBondContact OE1-CB 3.39Å; E474-Y479 HydrophobicContact CG-CD2 3.63Å; E474-Y479 HydrophobicContact CG-CE2 4.08Å; E474-Y479 HydrophobicContact CG-CG 4.18Å; E474-Y479 PolarHBondContact OE1-N 3.23Å; E474-R550 VanDerWaalsContact C-NH2 3.28Å; E474-R550 PolarHBondContact O-NH2 2.96Å; E474-R550 VanDerWaalsContact O-NH2 3.08Å |
| 475 | P | 91.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -52.2 | 146.8 | 164.6 | 19.4 | -32.6 | 0 | 0 | 0 | 112 | M477 T478 Y479 L548 R550 | P475-M477 PolarHBondContact O-N 3.49Å; P475-M477 VanDerWaalsContact O-N 3.13Å; P475-T478 WeakPolarHBondContact O-CA 3.32Å; P475-T478 PolarHBondContact O-N 3.41Å; P475-Y479 VanDerWaalsContact CD-CE1 3.46Å; P475-Y479 HydrophobicContact CG-CD1 3.66Å; P475-Y479 HydrophobicContact CG-CD2 4.48Å; P475-Y479 HydrophobicContact CG-CE1 3.71Å; P475-Y479 HydrophobicContact CG-CE2 4.5Å; P475-Y479 HydrophobicContact CG-CG 4.06Å; P475-L548 VanDerWaalsContact CB-O 3.3Å; P475-L548 WeakPolarHBondContact CB-O 3.36Å; P475-R550 HydrophobicContact CB-CB 3.97Å; P475-R550 HydrophobicContact CB-CG 4.23Å; P475-R550 HydrophobicContact CG-CB 4.12Å | ||
| 476 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -34.3 | -177.3 | -179.9 | 58 | 0 | 0 | 0 | 112.1 | L395 L469 L472 T478 N512 M515 L516 L548 | L395-L476 HydrophobicContact CD1-CD1 4Å; L395-L476 HydrophobicContact CD2-CD1 4.25Å; L469-L476 HydrophobicContact CD2-CD2 4.33Å; L472-L476 HydrophobicContact CD1-CB 4.49Å; L476-T478 VanDerWaalsContact C-N 3.29Å; L476-T478 PolarHBondContact O-N 3.42Å; L476-N512 HydrophobicContact CD1-CB 4.33Å; L476-N512 WeakPolarHBondContact O-CB 3.46Å; L476-N512 PolarHBondContact O-ND2 3.08Å; L476-M515 HydrophobicContact CD1-CB 3.86Å; L476-M515 HydrophobicContact CD1-CG 3.9Å; L476-M515 HydrophobicContact CD2-CG 4.08Å; L476-L516 HydrophobicContact CD2-CB 4.06Å; L476-L516 HydrophobicContact CD2-CD1 3.87Å; L476-L516 HydrophobicContact CG-CB 4.34Å; L476-L516 HydrophobicContact CG-CD1 4.35Å; L476-L548 HydrophobicContact CB-CD2 4.17Å; L476-L548 HydrophobicContact CD2-CD2 3.99Å; L476-L548 PolarHBondContact N-O 3.2Å |
| 477 | M | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 11.8 | 177.4 | -60 | -175.2 | 65.3 | 0 | 0 | 114 | P475 F485 L508 L516 L548 L549 V568 I569 L572 | P475-M477 PolarHBondContact O-N 3.49Å; P475-M477 VanDerWaalsContact O-N 3.13Å; M477-F485 HydrophobicContact CB-CD2 4.32Å; M477-F485 HydrophobicContact CB-CE2 4.08Å; M477-F485 HydrophobicContact CE-CD1 3.6Å; M477-F485 HydrophobicContact CE-CD2 3.79Å; M477-F485 HydrophobicContact CE-CE1 3.39Å; M477-F485 HydrophobicContact CE-CE2 3.61Å; M477-F485 HydrophobicContact CE-CG 3.81Å; M477-F485 HydrophobicContact CE-CZ 3.4Å; M477-F485 VanDerWaalsContact CE-CZ 3.4Å; M477-L508 WeakPolarHBondContact O-CD2 3.4Å; M477-L516 HydrophobicContact CE-CD2 4.49Å; M477-L516 HydrophobicContact CG-CD1 4.16Å; M477-L516 HydrophobicContact CG-CD2 4.21Å; M477-L516 HydrophobicContact SD-CD1 4.32Å; M477-L516 HydrophobicContact SD-CD2 4.49Å; M477-L548 HydrophobicContact CG-CB 4.49Å; M477-L548 PolarHBondContact N-O 3.25Å; M477-L548 HydrophobicContact SD-CB 4.4Å; M477-L549 HydrophobicContact CB-CD2 3.64Å; M477-L549 HydrophobicContact CB-CG 4.13Å; M477-L549 HydrophobicContact CE-CD1 4.41Å; M477-L549 HydrophobicContact CE-CD2 4.35Å; M477-L549 HydrophobicContact CE-CG 4.47Å; M477-L549 HydrophobicContact CG-CD2 4.41Å; M477-L549 HydrophobicContact CG-CG 4.43Å; M477-L549 HydrophobicContact SD-CD1 4Å; M477-L549 HydrophobicContact SD-CD2 4.12Å; M477-L549 HydrophobicContact SD-CG 3.77Å; M477-V568 HydrophobicContact CE-CG1 3.7Å; M477-V568 HydrophobicContact SD-CG1 4.43Å; M477-I569 HydrophobicContact SD-CD1 3.97Å; M477-L572 HydrophobicContact CE-CD1 3.95Å; M477-L572 HydrophobicContact SD-CD1 4Å |
| 478 | T | 92.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | trans | 65.6 | 152.1 | -177.9 | 74.3 | 0 | 0 | 0 | 0 | 115.8 | E474 P475 L476 Q480 Y481 H482 L508 P509 | E474-T478 WeakPolarHBondContact OE1-CA 3.5Å; E474-T478 WeakPolarHBondContact OE1-CB 3.39Å; P475-T478 WeakPolarHBondContact O-CA 3.32Å; P475-T478 PolarHBondContact O-N 3.41Å; L476-T478 VanDerWaalsContact C-N 3.29Å; L476-T478 PolarHBondContact O-N 3.42Å; T478-Q480 VanDerWaalsContact C-N 3.31Å; T478-Y481 HydrophobicContact CG2-CD2 4.49Å; T478-Y481 VanDerWaalsContact OG1-CD2 3.28Å; T478-Y481 WeakPolarHBondContact OG1-CD2 3.41Å; T478-Y481 PolarHBondContact OG1-N 3.3Å; T478-H482 PolarHBondContact O-N 3.05Å; T478-L508 HydrophobicContact CG2-CD2 4.04Å; T478-P509 HydrophobicContact CG2-CG 4.4Å | ||
| 479 | Y | 90.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 42.3 Ų | 42.3 | 33% | 0.329 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71.9 | -29.2 | 163.8 | -68.5 | -54.8 | 0 | 0 | 0 | 111.1 | E474 P475 R550 R552 | E474-Y479 HydrophobicContact CG-CD2 3.63Å; E474-Y479 HydrophobicContact CG-CE2 4.08Å; E474-Y479 HydrophobicContact CG-CG 4.18Å; E474-Y479 PolarHBondContact OE1-N 3.23Å; P475-Y479 VanDerWaalsContact CD-CE1 3.46Å; P475-Y479 HydrophobicContact CG-CD1 3.66Å; P475-Y479 HydrophobicContact CG-CD2 4.48Å; P475-Y479 HydrophobicContact CG-CE1 3.71Å; P475-Y479 HydrophobicContact CG-CE2 4.5Å; P475-Y479 HydrophobicContact CG-CG 4.06Å; Y479-R550 WeakPolarHBondContact CD1-O 3.48Å; Y479-R550 HydrophobicContact CE1-CB 4.38Å; Y479-R550 VanDerWaalsContact CE1-O 3.25Å; Y479-R550 WeakPolarHBondContact CE1-O 3.49Å; Y479-R552 HydrophobicContact CD1-CB 3.83Å; Y479-R552 HydrophobicContact CD1-CG 4.44Å; Y479-R552 HydrophobicContact CE1-CB 4.29Å; Y479-R552 HydrophobicContact CG-CB 4.29Å |
| 480 | Q | 91.3 | Very high | 92.2 | Very high | 139 Ų | 139 | 43.9 Ų | 43.9 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -50 | 179.9 | 178.6 | 176.4 | -18 | 0 | 0 | 112 | T478 | T478-Q480 VanDerWaalsContact C-N 3.31Š|
| 481 | Y | 93.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 1.9 | -177.3 | -57.6 | -63 | 0 | 0 | 0 | 113.8 | T478 S483 D484 F485 L504 K507 L508 | T478-Y481 HydrophobicContact CG2-CD2 4.49Å; T478-Y481 VanDerWaalsContact OG1-CD2 3.28Å; T478-Y481 WeakPolarHBondContact OG1-CD2 3.41Å; T478-Y481 PolarHBondContact OG1-N 3.3Å; Y481-S483 PolarHBondContact O-N 2.9Å; Y481-D484 PolarHBondContact O-N 3.31Å; Y481-D484 VanDerWaalsContact O-N 3.16Å; Y481-F485 WeakPolarHBondContact O-CD2 3.22Å; Y481-F485 PolarHBondContact O-N 3.29Å; Y481-L504 HydrophobicContact CD1-CD2 4.4Å; Y481-K507 HydrophobicContact CE1-CB 4.11Å; Y481-K507 HydrophobicContact CE1-CD 4.27Å; Y481-K507 HydrophobicContact CE2-CB 4.18Å; Y481-K507 WeakPolarHBondContact CE2-O 3.45Å; Y481-K507 PolarHBondContact OH-O 3.47Å; Y481-K507 VanDerWaalsContact OH-O 3.07Å; Y481-L508 HydrophobicContact CD2-CD2 4.08Å |
| 482 | H | 92.1 | Very high | 92.1 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.4 | -54.5 | -178.7 | -179.9 | -68.9 | 0 | 0 | 0 | 111.7 | T478 D484 F485 I486 R550 P551 | T478-H482 PolarHBondContact O-N 3.05Å; H482-D484 VanDerWaalsContact C-N 3.33Å; H482-D484 PolarHBondContact O-N 3.15Å; H482-F485 PolarHBondContact O-N 3.21Å; H482-I486 WeakPolarHBondContact O-CG1 3.29Å; H482-I486 PolarHBondContact O-N 2.85Å; H482-I486 VanDerWaalsContact O-N 3.12Å; H482-R550 VanDerWaalsContact CD2-C 3.48Å; H482-R550 PolarHBondContact CD2-O 3.08Å; H482-P551 WeakPolarHBondContact NE2-CA 3.44Å |
| 483 | S | 90.6 | Very high | 92.2 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 56% | 0.559 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.9 | -42.2 | 179.3 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | Y481 F485 I486 E487 | Y481-S483 PolarHBondContact O-N 2.9Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.33Å; S483-I486 PolarHBondContact O-N 3.26Å; S483-I486 VanDerWaalsContact O-N 3.15Å; S483-E487 WeakPolarHBondContact O-CG 3.27Å; S483-E487 PolarHBondContact O-N 3.06Å |
| 484 | D | 94.2 | Very high | 92.4 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.8 | -61.2 | -2.9 | 0 | 0 | 0 | 111.7 | Y481 H482 I486 E487 A488 L504 | Y481-D484 PolarHBondContact O-N 3.31Å; Y481-D484 VanDerWaalsContact O-N 3.16Å; H482-D484 VanDerWaalsContact C-N 3.33Å; H482-D484 PolarHBondContact O-N 3.15Å; D484-I486 VanDerWaalsContact C-N 3.33Å; D484-I486 PolarHBondContact O-N 3.02Å; D484-E487 PolarHBondContact O-N 3.26Å; D484-A488 VanDerWaalsContact O-CB 3.22Å; D484-A488 WeakPolarHBondContact O-CB 3.34Å; D484-A488 PolarHBondContact O-N 3.47Å; D484-L504 VanDerWaalsContact C-CD1 3.49Å; D484-L504 HydrophobicContact CB-CD1 3.83Å; D484-L504 HydrophobicContact CB-CD2 3.5Å; D484-L504 HydrophobicContact CB-CG 4.34Å; D484-L504 WeakPolarHBondContact O-CD1 3.13Å |
| 485 | F | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 175.7 | -80.9 | -65.7 | 0 | 0 | 0 | 112.5 | M477 Y481 H482 S483 A489 V501 L504 V505 L508 L549 V568 | M477-F485 HydrophobicContact CB-CD2 4.32Å; M477-F485 HydrophobicContact CB-CE2 4.08Å; M477-F485 HydrophobicContact CE-CD1 3.6Å; M477-F485 HydrophobicContact CE-CD2 3.79Å; M477-F485 HydrophobicContact CE-CE1 3.39Å; M477-F485 HydrophobicContact CE-CE2 3.61Å; M477-F485 HydrophobicContact CE-CG 3.81Å; M477-F485 HydrophobicContact CE-CZ 3.4Å; M477-F485 VanDerWaalsContact CE-CZ 3.4Å; Y481-F485 WeakPolarHBondContact O-CD2 3.22Å; Y481-F485 PolarHBondContact O-N 3.29Å; H482-F485 PolarHBondContact O-N 3.21Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.33Å; F485-A489 WeakPolarHBondContact O-CB 3.48Å; F485-A489 PolarHBondContact O-N 3.45Å; F485-V501 HydrophobicContact CD1-CG1 4.42Å; F485-V501 HydrophobicContact CD1-CG2 4.47Å; F485-V501 HydrophobicContact CE1-CG1 4.25Å; F485-L504 HydrophobicContact CD1-CB 3.89Å; F485-L504 HydrophobicContact CD1-CD1 3.89Å; F485-L504 HydrophobicContact CE1-CB 3.35Å; F485-L504 HydrophobicContact CE1-CD1 4.25Å; F485-L504 HydrophobicContact CE1-CG 4.44Å; F485-L504 HydrophobicContact CE2-CB 4.23Å; F485-L504 HydrophobicContact CG-CD1 4.2Å; F485-L504 HydrophobicContact CZ-CB 3.55Å; F485-V505 HydrophobicContact CE1-CG2 4.1Å; F485-V505 HydrophobicContact CZ-CG2 4.28Å; F485-L508 HydrophobicContact CE2-CD2 4.18Å; F485-L508 HydrophobicContact CZ-CD1 4.43Å; F485-L508 HydrophobicContact CZ-CD2 4.49Å; F485-L508 HydrophobicContact CZ-CG 4.47Å; F485-L549 HydrophobicContact CB-CD2 4.13Å; F485-L549 HydrophobicContact CD2-CD2 4.16Å; F485-L549 HydrophobicContact CG-CD2 4.4Å; F485-V568 HydrophobicContact CB-CG2 4.22Å; F485-V568 HydrophobicContact CD1-CG1 4.06Å; F485-V568 WeakPolarHBondContact O-CG2 3.22Å |
| 486 | I | 93.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.6 | -45.3 | 176.6 | -62 | -38.2 | 0 | 0 | 0 | 111.1 | H482 S483 D484 A488 A489 K490 D561 F564 N565 | H482-I486 WeakPolarHBondContact O-CG1 3.29Å; H482-I486 PolarHBondContact O-N 2.85Å; H482-I486 VanDerWaalsContact O-N 3.12Å; S483-I486 PolarHBondContact O-N 3.26Å; S483-I486 VanDerWaalsContact O-N 3.15Å; D484-I486 VanDerWaalsContact C-N 3.33Å; D484-I486 PolarHBondContact O-N 3.02Å; I486-A488 VanDerWaalsContact C-N 3.29Å; I486-A488 PolarHBondContact O-N 2.97Å; I486-A489 PolarHBondContact O-N 3.11Å; I486-A489 VanDerWaalsContact O-N 3.1Å; I486-K490 HydrophobicContact CG2-CD 4.24Å; I486-K490 VanDerWaalsContact CG2-CE 3.48Å; I486-K490 WeakPolarHBondContact O-CG 3.47Å; I486-K490 PolarHBondContact O-N 3.32Å; I486-D561 HydrophobicContact CG2-CB 4.2Å; I486-F564 HydrophobicContact CD1-CB 4.27Å; I486-F564 HydrophobicContact CG2-CB 4.06Å; I486-F564 HydrophobicContact CG2-CD2 4.42Å; I486-F564 HydrophobicContact CG2-CG 4.49Å; I486-N565 HydrophobicContact CD1-CB 4.42Å; I486-N565 WeakPolarHBondContact CD1-OD1 3.22Å |
| 487 | E | 93.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.6 | -28 | 176.1 | -61.4 | -52.4 | 123.6 | 0 | 0 | 112.4 | S483 D484 K490 Q491 | S483-E487 WeakPolarHBondContact O-CG 3.27Å; S483-E487 PolarHBondContact O-N 3.06Å; D484-E487 PolarHBondContact O-N 3.26Å; E487-K490 PolarHBondContact O-N 3.28Å; E487-K490 WeakPolarHBondContact OE1-CD 3.19Å; E487-K490 IonicContact OE1-NZ 3.36Å; E487-K490 PolarHBondContact OE1-NZ 2.81Å; E487-Q491 PolarHBondContact O-NE2 3.01Å |
| 488 | A | 95.5 | Very high | 92.9 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D484 I486 K490 Q491 R497 E500 V501 L504 | D484-A488 VanDerWaalsContact O-CB 3.22Å; D484-A488 WeakPolarHBondContact O-CB 3.34Å; D484-A488 PolarHBondContact O-N 3.47Å; I486-A488 VanDerWaalsContact C-N 3.29Å; I486-A488 PolarHBondContact O-N 2.97Å; A488-K490 VanDerWaalsContact C-N 3.34Å; A488-Q491 WeakPolarHBondContact O-CG 3.47Å; A488-R497 WeakPolarHBondContact O-CA 3.47Å; A488-R497 WeakPolarHBondContact O-CB 3.36Å; A488-R497 WeakPolarHBondContact O-CG 3.46Å; A488-E500 HydrophobicContact CB-CB 3.79Å; A488-V501 HydrophobicContact CB-CG2 4.03Å; A488-L504 HydrophobicContact CB-CD1 3.78Å |
| 489 | A | 94.7 | Very high | 93 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.7 | -19.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | F485 I486 F564 I567 V568 | F485-A489 WeakPolarHBondContact O-CB 3.48Å; F485-A489 PolarHBondContact O-N 3.45Å; I486-A489 PolarHBondContact O-N 3.11Å; I486-A489 VanDerWaalsContact O-N 3.1Å; A489-F564 HydrophobicContact CB-CB 4.06Å; A489-F564 HydrophobicContact CB-CD1 4.5Å; A489-I567 HydrophobicContact CB-CB 4.41Å; A489-I567 HydrophobicContact CB-CG2 4.02Å; A489-V568 HydrophobicContact CB-CG2 3.68Å |
| 490 | K | 93.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 57.8 Ų | 57.8 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.3 | 174 | -70.5 | 171.3 | -175.8 | 169 | 0 | 114.3 | T82 A83 I486 E487 A488 D561 F564 | T82-K490 PolarHBondContact OG1-NZ 3.21Å; A83-K490 HydrophobicContact CB-CB 4.22Å; A83-K490 HydrophobicContact CB-CD 3.83Å; A83-K490 HydrophobicContact CB-CG 3.77Å; I486-K490 HydrophobicContact CG2-CD 4.24Å; I486-K490 VanDerWaalsContact CG2-CE 3.48Å; I486-K490 WeakPolarHBondContact O-CG 3.47Å; I486-K490 PolarHBondContact O-N 3.32Å; E487-K490 PolarHBondContact O-N 3.28Å; E487-K490 WeakPolarHBondContact OE1-CD 3.19Å; E487-K490 IonicContact OE1-NZ 3.36Å; E487-K490 PolarHBondContact OE1-NZ 2.81Å; A488-K490 VanDerWaalsContact C-N 3.34Å; K490-D561 WeakPolarHBondContact CE-OD1 3.04Å; K490-D561 VanDerWaalsContact NZ-CG 3.34Å; K490-D561 IonicContact NZ-OD1 3.61Å; K490-D561 PolarHBondContact NZ-OD1 3.21Å; K490-D561 IonicContact NZ-OD2 3.27Å; K490-D561 PolarHBondContact NZ-OD2 2.81Å; K490-F564 HydrophobicContact CD-CD2 4.48Å; K490-F564 HydrophobicContact CD-CE2 4.41Å; K490-F564 HydrophobicContact CG-CD1 3.79Å; K490-F564 HydrophobicContact CG-CD2 4.11Å; K490-F564 HydrophobicContact CG-CE1 3.74Å; K490-F564 HydrophobicContact CG-CE2 4.07Å; K490-F564 HydrophobicContact CG-CG 4Å; K490-F564 HydrophobicContact CG-CZ 3.9Å |
| 491 | Q | 93.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | trans | -63.8 | 138.3 | 178.6 | -59.5 | -60.8 | -61.2 | 0 | 0 | 111.7 | E487 A488 T493 Q496 R497 | E487-Q491 PolarHBondContact O-NE2 3.01Å; A488-Q491 WeakPolarHBondContact O-CG 3.47Å; Q491-T493 PolarHBondContact O-N 3.41Å; Q491-Q496 HydrophobicContact CB-CB 3.83Å; Q491-Q496 HydrophobicContact CG-CB 4.32Å; Q491-R497 HydrophobicContact CB-CG 3.84Å; Q491-R497 WeakPolarHBondContact O-CD 3.34Å; Q491-R497 VanDerWaalsContact O-CG 3.28Å; Q491-R497 WeakPolarHBondContact O-CG 3.48Å; Q491-R497 PolarHBondContact O-NE 3.27Å | ||
| 492 | E | 87 | Confident | 93.8 | Very high | 172 Ų | 172 | 49.9 Ų | 49.9 | 80% | 0.804 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -54.9 | -53.8 | -174 | -64.3 | 176.5 | 179.3 | 0 | 0 | 112.9 | R497 | E492-R497 PolarHBondContact O-NH2 2.69Š|
| 493 | T | 91.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -91.3 | 139.9 | -176.3 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | Q491 N495 Q496 R497 | Q491-T493 PolarHBondContact O-N 3.41Å; T493-N495 PolarHBondContact O-N 2.9Å; T493-N495 VanDerWaalsContact O-N 3.16Å; T493-Q496 WeakPolarHBondContact O-CB 3.25Å; T493-Q496 PolarHBondContact O-N 2.77Å; T493-Q496 VanDerWaalsContact OG1-CG 3.31Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.39Å; T493-Q496 PolarHBondContact OG1-N 3.44Å; T493-Q496 PolarHBondContact OG1-OE1 3.25Å; T493-R497 PolarHBondContact O-N 3.06Å; T493-R497 VanDerWaalsContact O-N 3.12Å |
| 494 | L | 91.1 | Very high | 94.2 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 43% | 0.429 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.2 | -38.6 | 175.5 | 179.6 | 61.7 | 0 | 0 | 0 | 112.5 | R497 V498 | L494-R497 PolarHBondContact O-N 3.24Å; L494-V498 HydrophobicContact CD1-CG2 4.2Å; L494-V498 HydrophobicContact CG-CG2 4.39Å; L494-V498 VanDerWaalsContact O-CG2 3.27Å; L494-V498 WeakPolarHBondContact O-CG2 3.43Å; L494-V498 PolarHBondContact O-N 2.93Å |
| 495 | N | 92.3 | Very high | 94.4 | Very high | 94 Ų | 94 | 44.8 Ų | 44.8 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.9 | -35.3 | 178.5 | -84 | -58.6 | 0 | 0 | 0 | 113.4 | T493 N499 | T493-N495 PolarHBondContact O-N 2.9Å; T493-N495 VanDerWaalsContact O-N 3.16Å; N495-N499 VanDerWaalsContact O-CB 3.32Å; N495-N499 WeakPolarHBondContact O-CB 3.49Å; N495-N499 PolarHBondContact O-N 2.93Å; N495-N499 PolarHBondContact O-ND2 3.38Å |
| 496 | Q | 93.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.2 | -46 | 171.9 | -74.5 | 158.4 | -42.1 | 0 | 0 | 110.7 | Q491 T493 V498 N499 E500 | Q491-Q496 HydrophobicContact CB-CB 3.83Å; Q491-Q496 HydrophobicContact CG-CB 4.32Å; T493-Q496 WeakPolarHBondContact O-CB 3.25Å; T493-Q496 PolarHBondContact O-N 2.77Å; T493-Q496 VanDerWaalsContact OG1-CG 3.31Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.39Å; T493-Q496 PolarHBondContact OG1-N 3.44Å; T493-Q496 PolarHBondContact OG1-OE1 3.25Å; Q496-V498 PolarHBondContact O-N 3.49Å; Q496-N499 PolarHBondContact O-N 3.28Å; Q496-E500 PolarHBondContact O-N 2.76Å |
| 497 | R | 95.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 6% | 0.064 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -49.3 | 177.3 | -54.3 | 174.4 | -147 | 166.7 | 5.2 | 111.5 | D86 A488 Q491 E492 T493 L494 N499 E500 V501 I571 | D86-R497 VanDerWaalsContact CG-NH2 3.34Å; D86-R497 IonicContact OD1-CZ 2.63Å; D86-R497 IonicContact OD1-NH1 2.88Å; D86-R497 IonicContact OD1-NH2 3.71Å; D86-R497 PolarHBondContact OD1-NH2 3.31Å; D86-R497 IonicContact OD2-CZ 2.64Å; D86-R497 IonicContact OD2-NH1 2.69Å; D86-R497 PolarHBondContact OD2-NH1 3.35Å; D86-R497 IonicContact OD2-NH2 2.64Å; D86-R497 PolarHBondContact OD2-NH2 2.9Å; A488-R497 WeakPolarHBondContact O-CA 3.47Å; A488-R497 WeakPolarHBondContact O-CB 3.36Å; A488-R497 WeakPolarHBondContact O-CG 3.46Å; Q491-R497 HydrophobicContact CB-CG 3.84Å; Q491-R497 WeakPolarHBondContact O-CD 3.34Å; Q491-R497 VanDerWaalsContact O-CG 3.28Å; Q491-R497 WeakPolarHBondContact O-CG 3.48Å; Q491-R497 PolarHBondContact O-NE 3.27Å; E492-R497 PolarHBondContact O-NH2 2.69Å; T493-R497 PolarHBondContact O-N 3.06Å; T493-R497 VanDerWaalsContact O-N 3.12Å; L494-R497 PolarHBondContact O-N 3.24Å; R497-N499 PolarHBondContact O-N 3.03Å; R497-E500 PolarHBondContact O-N 3.29Å; R497-V501 VanDerWaalsContact O-CB 3.29Å; R497-V501 WeakPolarHBondContact O-CB 3.38Å; R497-V501 VanDerWaalsContact O-CG2 3.22Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 2.97Å; R497-I571 HydrophobicContact CB-CD1 3.63Å |
| 498 | V | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 177.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | L494 Q496 H502 I571 N575 R578 | L494-V498 HydrophobicContact CD1-CG2 4.2Å; L494-V498 HydrophobicContact CG-CG2 4.39Å; L494-V498 VanDerWaalsContact O-CG2 3.27Å; L494-V498 WeakPolarHBondContact O-CG2 3.43Å; L494-V498 PolarHBondContact O-N 2.93Å; Q496-V498 PolarHBondContact O-N 3.49Å; V498-H502 WeakPolarHBondContact O-CB 3.41Å; V498-H502 PolarHBondContact O-N 3.47Å; V498-I571 HydrophobicContact CG2-CG2 4.05Å; V498-N575 HydrophobicContact CG1-CB 4.26Å; V498-R578 VanDerWaalsContact CG1-CZ 3.49Å |
| 499 | N | 95.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 37% | 0.369 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | -179.6 | -76.6 | -15.4 | 0 | 0 | 0 | 113.2 | N495 Q496 R497 H502 K503 R578 | N495-N499 VanDerWaalsContact O-CB 3.32Å; N495-N499 WeakPolarHBondContact O-CB 3.49Å; N495-N499 PolarHBondContact O-N 2.93Å; N495-N499 PolarHBondContact O-ND2 3.38Å; Q496-N499 PolarHBondContact O-N 3.28Å; R497-N499 PolarHBondContact O-N 3.03Å; N499-H502 WeakPolarHBondContact O-CB 3.16Å; N499-H502 PolarHBondContact O-N 3.04Å; N499-K503 WeakPolarHBondContact O-CG 3.36Å; N499-K503 PolarHBondContact O-N 2.71Å; N499-R578 PolarHBondContact OD1-NH2 3.03Å |
| 500 | E | 96.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75.6 | -37.1 | -179.1 | -62.2 | -50.4 | 129.3 | 0 | 0 | 111.8 | A488 Q496 R497 H502 K503 L504 | A488-E500 HydrophobicContact CB-CB 3.79Å; Q496-E500 PolarHBondContact O-N 2.76Å; R497-E500 PolarHBondContact O-N 3.29Å; E500-H502 VanDerWaalsContact C-N 3.32Å; E500-H502 PolarHBondContact O-N 3.3Å; E500-K503 PolarHBondContact O-N 3.45Å; E500-K503 WeakPolarHBondContact OE1-CD 3.45Å; E500-K503 WeakPolarHBondContact OE1-CE 3.46Å; E500-K503 IonicContact OE1-NZ 3.82Å; E500-K503 PolarHBondContact OE1-NZ 3.2Å; E500-K503 WeakPolarHBondContact OE2-CD 3.47Å; E500-K503 IonicContact OE2-NZ 2.79Å; E500-L504 WeakPolarHBondContact O-CB 3.47Å; E500-L504 WeakPolarHBondContact O-CD1 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.35Å; E500-L504 PolarHBondContact O-N 3.07Å |
| 501 | V | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | 168.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F485 A488 R497 L504 V505 V568 I571 L572 I579 | F485-V501 HydrophobicContact CD1-CG1 4.42Å; F485-V501 HydrophobicContact CD1-CG2 4.47Å; F485-V501 HydrophobicContact CE1-CG1 4.25Å; A488-V501 HydrophobicContact CB-CG2 4.03Å; R497-V501 VanDerWaalsContact O-CB 3.29Å; R497-V501 WeakPolarHBondContact O-CB 3.38Å; R497-V501 VanDerWaalsContact O-CG2 3.22Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 2.97Å; V501-L504 PolarHBondContact O-N 3.42Å; V501-V505 HydrophobicContact CG1-CG2 4.34Å; V501-V505 WeakPolarHBondContact O-CG2 3.46Å; V501-V505 PolarHBondContact O-N 3.3Å; V501-V568 HydrophobicContact CG1-CG1 4.33Å; V501-V568 HydrophobicContact CG2-CG1 4.47Å; V501-I571 HydrophobicContact CB-CG2 4.08Å; V501-I571 HydrophobicContact CG1-CG2 3.98Å; V501-I571 HydrophobicContact CG2-CD1 4.4Å; V501-I571 HydrophobicContact CG2-CG2 4.3Å; V501-L572 HydrophobicContact CG1-CD2 3.65Å; V501-L572 HydrophobicContact CG1-CG 4.32Å; V501-I579 HydrophobicContact CG1-CD1 4.33Å |
| 502 | H | 97.1 | Very high | 94.5 | Very high | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.3 | -173.9 | -167 | 0 | 0 | 0 | 112.4 | V498 N499 E500 L504 Y506 R578 I579 N582 | V498-H502 WeakPolarHBondContact O-CB 3.41Å; V498-H502 PolarHBondContact O-N 3.47Å; N499-H502 WeakPolarHBondContact O-CB 3.16Å; N499-H502 PolarHBondContact O-N 3.04Å; E500-H502 VanDerWaalsContact C-N 3.32Å; E500-H502 PolarHBondContact O-N 3.3Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 2.9Å; H502-Y506 AromaticContact CD2-CD2 3.8Å; H502-Y506 AromaticContact CD2-CE2 3.82Å; H502-Y506 AromaticContact NE2-CD2 3.99Å; H502-Y506 AromaticContact NE2-CE2 3.6Å; H502-Y506 PolarHBondContact O-N 3.33Å; H502-R578 PolarHBondContact CE1-O 3.42Å; H502-R578 VanDerWaalsContact CE1-O 3.23Å; H502-R578 PolarHBondContact NE2-O 3.37Å; H502-I579 HydrophobicContact CB-CG1 4.18Å; H502-I579 PolarHBondContact CD2-O 2.88Å; H502-I579 PolarHBondContact NE2-O 3.44Å; H502-N582 PolarHBondContact CE1-O 2.81Å; H502-N582 PolarHBondContact NE2-O 3.09Å |
| 503 | K | 95.5 | Very high | 95 | Very high | 57 Ų | 57 | 49 Ų | 49 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 173 | -75.5 | 166.8 | 172.3 | -177.6 | 0 | 112.5 | N499 E500 K507 P584 D587 | N499-K503 WeakPolarHBondContact O-CG 3.36Å; N499-K503 PolarHBondContact O-N 2.71Å; E500-K503 PolarHBondContact O-N 3.45Å; E500-K503 WeakPolarHBondContact OE1-CD 3.45Å; E500-K503 WeakPolarHBondContact OE1-CE 3.46Å; E500-K503 IonicContact OE1-NZ 3.82Å; E500-K503 PolarHBondContact OE1-NZ 3.2Å; E500-K503 WeakPolarHBondContact OE2-CD 3.47Å; E500-K503 IonicContact OE2-NZ 2.79Å; K503-K507 WeakPolarHBondContact O-CG 3.36Å; K503-P584 HydrophobicContact CG-CB 4.19Å; K503-D587 IonicContact NZ-OD1 3.87Å; K503-D587 PolarHBondContact NZ-OD1 3.19Å |
| 504 | L | 96.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.5 | -38.6 | -178.9 | -71.7 | 166 | 0 | 0 | 0 | 113 | Y481 D484 F485 A488 E500 V501 H502 Y506 K507 L508 | Y481-L504 HydrophobicContact CD1-CD2 4.4Å; D484-L504 VanDerWaalsContact C-CD1 3.49Å; D484-L504 HydrophobicContact CB-CD1 3.83Å; D484-L504 HydrophobicContact CB-CD2 3.5Å; D484-L504 HydrophobicContact CB-CG 4.34Å; D484-L504 WeakPolarHBondContact O-CD1 3.13Å; F485-L504 HydrophobicContact CD1-CB 3.89Å; F485-L504 HydrophobicContact CD1-CD1 3.89Å; F485-L504 HydrophobicContact CE1-CB 3.35Å; F485-L504 HydrophobicContact CE1-CD1 4.25Å; F485-L504 HydrophobicContact CE1-CG 4.44Å; F485-L504 HydrophobicContact CE2-CB 4.23Å; F485-L504 HydrophobicContact CG-CD1 4.2Å; F485-L504 HydrophobicContact CZ-CB 3.55Å; A488-L504 HydrophobicContact CB-CD1 3.78Å; E500-L504 WeakPolarHBondContact O-CB 3.47Å; E500-L504 WeakPolarHBondContact O-CD1 3.28Å; E500-L504 WeakPolarHBondContact O-CG 3.35Å; E500-L504 PolarHBondContact O-N 3.07Å; V501-L504 PolarHBondContact O-N 3.42Å; H502-L504 VanDerWaalsContact C-N 3.31Å; H502-L504 PolarHBondContact O-N 2.9Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.06Å; L504-K507 HydrophobicContact CD2-CD 4.21Å; L504-K507 WeakPolarHBondContact O-CB 3.39Å; L504-K507 PolarHBondContact O-N 3.04Å; L504-L508 PolarHBondContact O-N 2.98Å |
| 505 | V | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.6 | -42.4 | 174.2 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | F485 V501 K507 L508 F513 L516 L572 I579 F580 | F485-V505 HydrophobicContact CE1-CG2 4.1Å; F485-V505 HydrophobicContact CZ-CG2 4.28Å; V501-V505 HydrophobicContact CG1-CG2 4.34Å; V501-V505 WeakPolarHBondContact O-CG2 3.46Å; V501-V505 PolarHBondContact O-N 3.3Å; V505-K507 PolarHBondContact O-N 3.03Å; V505-L508 WeakPolarHBondContact O-CB 3.28Å; V505-L508 WeakPolarHBondContact O-CG 3.35Å; V505-L508 PolarHBondContact O-N 3.35Å; V505-F513 HydrophobicContact CG1-CD2 3.77Å; V505-F513 HydrophobicContact CG1-CE2 3.74Å; V505-L516 HydrophobicContact CG2-CD2 4.36Å; V505-L572 HydrophobicContact CG2-CD2 3.6Å; V505-I579 HydrophobicContact CB-CG2 4.15Å; V505-I579 HydrophobicContact CG1-CG2 4.15Å; V505-I579 HydrophobicContact CG2-CG2 3.98Å; V505-F580 HydrophobicContact CG1-CD1 4.22Å; V505-F580 HydrophobicContact CG1-CE1 3.71Å; V505-F580 HydrophobicContact CG1-CZ 4.07Å |
| 506 | Y | 95.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 41.8 Ų | 41.8 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -1.7 | 176.3 | -86.5 | -85.1 | 0 | 0 | 0 | 115.5 | H502 L504 F513 I579 F580 N582 K583 P584 | H502-Y506 AromaticContact CD2-CD2 3.8Å; H502-Y506 AromaticContact CD2-CE2 3.82Å; H502-Y506 AromaticContact NE2-CD2 3.99Å; H502-Y506 AromaticContact NE2-CE2 3.6Å; H502-Y506 PolarHBondContact O-N 3.33Å; L504-Y506 VanDerWaalsContact C-N 3.26Å; L504-Y506 PolarHBondContact O-N 3.06Å; Y506-F513 HydrophobicContact CD1-CE2 4.25Å; Y506-F513 HydrophobicContact CD2-CE2 4.39Å; Y506-F513 HydrophobicContact CE1-CE2 4.07Å; Y506-F513 HydrophobicContact CE1-CZ 4.25Å; Y506-F513 HydrophobicContact CE2-CE2 4.25Å; Y506-F513 HydrophobicContact CG-CE2 4.41Å; Y506-I579 VanDerWaalsContact CE2-O 3.26Å; Y506-I579 WeakPolarHBondContact CE2-O 3.39Å; Y506-F580 PolarHBondContact OH-O 3.48Å; Y506-N582 VanDerWaalsContact CE2-O 3.29Å; Y506-N582 WeakPolarHBondContact CE2-O 3.22Å; Y506-N582 PolarHBondContact OH-O 2.86Å; Y506-K583 HydrophobicContact CE1-CG 4.33Å; Y506-P584 HydrophobicContact CD2-CG 3.48Å; Y506-P584 VanDerWaalsContact CD2-CG 3.48Å; Y506-P584 HydrophobicContact CE2-CG 4.17Å; Y506-P584 HydrophobicContact CG-CG 3.86Å |
| 507 | K | 94.7 | Very high | 95.9 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -9 | 169.8 | -68.1 | 172.6 | -173.7 | 170.4 | 0 | 113.3 | Y481 K503 L504 V505 | Y481-K507 HydrophobicContact CE1-CB 4.11Å; Y481-K507 HydrophobicContact CE1-CD 4.27Å; Y481-K507 HydrophobicContact CE2-CB 4.18Å; Y481-K507 WeakPolarHBondContact CE2-O 3.45Å; Y481-K507 PolarHBondContact OH-O 3.47Å; Y481-K507 VanDerWaalsContact OH-O 3.07Å; K503-K507 WeakPolarHBondContact O-CG 3.36Å; L504-K507 HydrophobicContact CD2-CD 4.21Å; L504-K507 WeakPolarHBondContact O-CB 3.39Å; L504-K507 PolarHBondContact O-N 3.04Å; V505-K507 PolarHBondContact O-N 3.03Å |
| 508 | L | 95 | Very high | 96 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -63 | 149 | 176.5 | -68.9 | 171.1 | 0 | 0 | 0 | 110.9 | M477 T478 Y481 F485 L504 V505 N512 F513 L516 | M477-L508 WeakPolarHBondContact O-CD2 3.4Å; T478-L508 HydrophobicContact CG2-CD2 4.04Å; Y481-L508 HydrophobicContact CD2-CD2 4.08Å; F485-L508 HydrophobicContact CE2-CD2 4.18Å; F485-L508 HydrophobicContact CZ-CD1 4.43Å; F485-L508 HydrophobicContact CZ-CD2 4.49Å; F485-L508 HydrophobicContact CZ-CG 4.47Å; L504-L508 PolarHBondContact O-N 2.98Å; V505-L508 WeakPolarHBondContact O-CB 3.28Å; V505-L508 WeakPolarHBondContact O-CG 3.35Å; V505-L508 PolarHBondContact O-N 3.35Å; L508-N512 HydrophobicContact CB-CB 4.22Å; L508-F513 HydrophobicContact CB-CB 4.49Å; L508-L516 HydrophobicContact CD1-CD2 3.66Å |
| 509 | P | 94.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 40.7 Ų | 40.7 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | trans | -56.9 | 147.9 | 169.6 | -21 | 31.4 | 0 | 0 | 0 | 111.4 | T478 P511 N512 F513 | T478-P509 HydrophobicContact CG2-CG 4.4Å; P509-P511 VanDerWaalsContact C-CD 3.5Å; P509-N512 HydrophobicContact CB-CB 4.49Å; P509-N512 WeakPolarHBondContact O-CA 3.3Å; P509-N512 WeakPolarHBondContact O-CB 3.49Å; P509-N512 PolarHBondContact O-N 3.15Å; P509-F513 PolarHBondContact O-N 2.74Å | ||
| 510 | Q | 93.8 | Very high | 96.3 | Very high | 116 Ų | 116 | 37.4 Ų | 37.4 | 54% | 0.542 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -53.2 | -42.2 | -173.3 | -175 | 64.1 | 24 | 0 | 0 | 114.5 | F513 Q514 | Q510-F513 PolarHBondContact O-N 3.46Å; Q510-Q514 VanDerWaalsContact NE2-CD 3.35Å; Q510-Q514 VanDerWaalsContact NE2-NE2 3.14Å; Q510-Q514 WeakPolarHBondContact O-CG 3.44Å; Q510-Q514 PolarHBondContact O-N 2.85Å; Q510-Q514 PolarHBondContact O-OE1 3.49Å |
| 511 | P | 94.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 36 Ų | 36 | 33% | 0.331 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 175.4 | -21.3 | 34.5 | 0 | 0 | 0 | 112.4 | L395 F400 P509 Q514 M515 | L395-P511 HydrophobicContact CB-CB 4.19Å; L395-P511 HydrophobicContact CD1-CB 4.35Å; F400-P511 HydrophobicContact CE2-CB 4.18Å; F400-P511 HydrophobicContact CZ-CB 4.29Å; F400-P511 WeakPolarHBondContact CZ-O 3.46Å; P509-P511 VanDerWaalsContact C-CD 3.5Å; P511-Q514 PolarHBondContact O-N 2.84Å; P511-M515 WeakPolarHBondContact O-CB 3.5Å; P511-M515 PolarHBondContact O-N 3.19Å |
| 512 | N | 95.9 | Very high | 96.4 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.9 | -62.8 | 67.9 | 0 | 0 | 0 | 111.2 | L395 L476 L508 P509 L516 | L395-N512 HydrophobicContact CD1-CB 4.32Å; L476-N512 HydrophobicContact CD1-CB 4.33Å; L476-N512 WeakPolarHBondContact O-CB 3.46Å; L476-N512 PolarHBondContact O-ND2 3.08Å; L508-N512 HydrophobicContact CB-CB 4.22Å; P509-N512 HydrophobicContact CB-CB 4.49Å; P509-N512 WeakPolarHBondContact O-CA 3.3Å; P509-N512 WeakPolarHBondContact O-CB 3.49Å; P509-N512 PolarHBondContact O-N 3.15Å; N512-L516 WeakPolarHBondContact O-CB 3.49Å; N512-L516 PolarHBondContact O-N 2.84Å |
| 513 | F | 96.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.6 | 178.8 | -81.9 | 0 | 0 | 0 | 111.5 | V505 Y506 L508 P509 Q510 M515 L516 D517 F580 | V505-F513 HydrophobicContact CG1-CD2 3.77Å; V505-F513 HydrophobicContact CG1-CE2 3.74Å; Y506-F513 HydrophobicContact CD1-CE2 4.25Å; Y506-F513 HydrophobicContact CD2-CE2 4.39Å; Y506-F513 HydrophobicContact CE1-CE2 4.07Å; Y506-F513 HydrophobicContact CE1-CZ 4.25Å; Y506-F513 HydrophobicContact CE2-CE2 4.25Å; Y506-F513 HydrophobicContact CG-CE2 4.41Å; L508-F513 HydrophobicContact CB-CB 4.49Å; P509-F513 PolarHBondContact O-N 2.74Å; Q510-F513 PolarHBondContact O-N 3.46Å; F513-M515 PolarHBondContact O-N 2.83Å; F513-L516 PolarHBondContact O-N 3.46Å; F513-D517 WeakPolarHBondContact O-CB 3.46Å; F513-D517 PolarHBondContact O-N 2.81Å; F513-F580 HydrophobicContact CE2-CD1 4.22Å; F513-F580 HydrophobicContact CZ-CD1 4.11Å |
| 514 | Q | 96.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 42% | 0.421 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.1 | -39.5 | -176.5 | -74.2 | 171.6 | -38.3 | 0 | 0 | 113.1 | F400 Q510 P511 M518 | F400-Q514 HydrophobicContact CE1-CB 3.92Å; F400-Q514 HydrophobicContact CZ-CB 4.06Å; Q510-Q514 VanDerWaalsContact NE2-CD 3.35Å; Q510-Q514 VanDerWaalsContact NE2-NE2 3.14Å; Q510-Q514 WeakPolarHBondContact O-CG 3.44Å; Q510-Q514 PolarHBondContact O-N 2.85Å; Q510-Q514 PolarHBondContact O-OE1 3.49Å; P511-Q514 PolarHBondContact O-N 2.84Å; Q514-M518 PolarHBondContact O-N 2.83Å |
| 515 | M | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.9 | -34.5 | 175.2 | -178.3 | 91.5 | -59.3 | 0 | 0 | 111.3 | L395 F400 I403 Y468 L469 L476 P511 F513 M518 V519 | L395-M515 HydrophobicContact CD2-CB 4.25Å; L395-M515 HydrophobicContact CD2-CG 4.03Å; L395-M515 HydrophobicContact CD2-SD 4.42Å; F400-M515 HydrophobicContact CD1-CE 3.72Å; F400-M515 HydrophobicContact CD1-SD 4.41Å; F400-M515 HydrophobicContact CE1-CB 3.87Å; F400-M515 HydrophobicContact CE1-CE 3.96Å; F400-M515 HydrophobicContact CG-CE 4.43Å; F400-M515 HydrophobicContact CZ-CB 3.9Å; I403-M515 HydrophobicContact CB-CE 3.82Å; I403-M515 HydrophobicContact CB-SD 4Å; I403-M515 HydrophobicContact CG1-CE 4.43Å; I403-M515 HydrophobicContact CG1-SD 3.94Å; I403-M515 HydrophobicContact CG2-CE 3.5Å; I403-M515 HydrophobicContact CG2-SD 3.97Å; Y468-M515 HydrophobicContact CE1-SD 4.45Å; L469-M515 HydrophobicContact CD2-CG 4.25Å; L469-M515 HydrophobicContact CD2-SD 4.48Å; L476-M515 HydrophobicContact CD1-CB 3.86Å; L476-M515 HydrophobicContact CD1-CG 3.9Å; L476-M515 HydrophobicContact CD2-CG 4.08Å; P511-M515 WeakPolarHBondContact O-CB 3.5Å; P511-M515 PolarHBondContact O-N 3.19Å; F513-M515 PolarHBondContact O-N 2.83Å; M515-M518 HydrophobicContact CE-CB 4.26Å; M515-M518 HydrophobicContact CE-CE 3.82Å; M515-M518 HydrophobicContact CE-SD 3.65Å; M515-V519 WeakPolarHBondContact O-CG2 3.36Å; M515-V519 PolarHBondContact O-N 3.03Å |
| 516 | L | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 175.4 | -171.1 | 68.3 | 0 | 0 | 0 | 112 | L476 M477 V505 L508 N512 F513 M518 V519 I520 L548 L572 F580 | L476-L516 HydrophobicContact CD2-CB 4.06Å; L476-L516 HydrophobicContact CD2-CD1 3.87Å; L476-L516 HydrophobicContact CG-CB 4.34Å; L476-L516 HydrophobicContact CG-CD1 4.35Å; M477-L516 HydrophobicContact CE-CD2 4.49Å; M477-L516 HydrophobicContact CG-CD1 4.16Å; M477-L516 HydrophobicContact CG-CD2 4.21Å; M477-L516 HydrophobicContact SD-CD1 4.32Å; M477-L516 HydrophobicContact SD-CD2 4.49Å; V505-L516 HydrophobicContact CG2-CD2 4.36Å; L508-L516 HydrophobicContact CD1-CD2 3.66Å; N512-L516 WeakPolarHBondContact O-CB 3.49Å; N512-L516 PolarHBondContact O-N 2.84Å; F513-L516 PolarHBondContact O-N 3.46Å; L516-M518 VanDerWaalsContact C-N 3.33Å; L516-M518 PolarHBondContact O-N 3.15Å; L516-V519 PolarHBondContact O-N 2.84Å; L516-I520 HydrophobicContact CD1-CD1 4.28Å; L516-I520 HydrophobicContact CD1-CG1 3.89Å; L516-I520 HydrophobicContact CG-CG1 4.05Å; L516-I520 WeakPolarHBondContact O-CB 3.33Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.44Å; L516-I520 PolarHBondContact O-N 3.3Å; L516-L548 HydrophobicContact CD1-CD1 4.19Å; L516-L572 HydrophobicContact CD1-CD1 4.32Å; L516-L572 HydrophobicContact CD2-CD1 4.27Å; L516-F580 HydrophobicContact CB-CE1 4.34Å; L516-F580 HydrophobicContact CD2-CE1 4.12Å; L516-F580 HydrophobicContact CD2-CZ 3.93Å; L516-F580 HydrophobicContact CG-CE1 4.04Å; L516-F580 HydrophobicContact CG-CZ 3.87Å |
| 517 | D | 97.7 | Very high | 96.7 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 20% | 0.203 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.3 | -48.1 | 174.3 | -173.8 | 39.2 | 0 | 0 | 0 | 111.1 | F513 C521 Y576 F580 K581 | F513-D517 WeakPolarHBondContact O-CB 3.46Å; F513-D517 PolarHBondContact O-N 2.81Å; D517-C521 VanDerWaalsContact O-CB 3.25Å; D517-C521 WeakPolarHBondContact O-CB 3.17Å; D517-C521 PolarHBondContact O-N 3.13Å; D517-Y576 WeakPolarHBondContact OD1-CE2 3.36Å; D517-F580 HydrophobicContact CB-CD1 3.69Å; D517-F580 HydrophobicContact CB-CE1 4.16Å; D517-F580 HydrophobicContact CB-CG 4.46Å; D517-F580 WeakPolarHBondContact OD1-CB 3.21Å; D517-F580 WeakPolarHBondContact OD1-CG 3.39Å; D517-K581 IonicContact OD1-NZ 3.71Å; D517-K581 PolarHBondContact OD1-NZ 3.16Å; D517-K581 IonicContact OD2-NZ 2.76Å; D517-K581 PolarHBondContact OD2-NZ 3.26Å |
| 518 | M | 97.4 | Very high | 96.8 | Very high | 37 Ų | 37 | 33.5 Ų | 33.5 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 178.4 | -166.3 | -170.2 | -57.8 | 0 | 0 | 112.7 | F400 I403 R404 I407 Q514 M515 L516 H522 | F400-M518 HydrophobicContact CD1-CE 4.06Å; I403-M518 HydrophobicContact CG2-SD 4.19Å; R404-M518 HydrophobicContact CB-CE 4.45Å; R404-M518 HydrophobicContact CB-SD 4.03Å; R404-M518 HydrophobicContact CG-SD 4.46Å; I407-M518 HydrophobicContact CD1-CG 3.86Å; I407-M518 HydrophobicContact CD1-SD 4.17Å; Q514-M518 PolarHBondContact O-N 2.83Å; M515-M518 HydrophobicContact CE-CB 4.26Å; M515-M518 HydrophobicContact CE-CE 3.82Å; M515-M518 HydrophobicContact CE-SD 3.65Å; L516-M518 VanDerWaalsContact C-N 3.33Å; L516-M518 PolarHBondContact O-N 3.15Å; M518-H522 PolarHBondContact O-N 3.03Å |
| 519 | V | 97.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -45.3 | -179.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | I403 L469 M515 L516 H522 L523 F544 L548 | I403-V519 HydrophobicContact CG2-CG2 4.28Å; L469-V519 HydrophobicContact CD1-CG1 4.33Å; L469-V519 HydrophobicContact CD1-CG2 3.94Å; M515-V519 WeakPolarHBondContact O-CG2 3.36Å; M515-V519 PolarHBondContact O-N 3.03Å; L516-V519 PolarHBondContact O-N 2.84Å; V519-H522 PolarHBondContact O-N 3.18Å; V519-L523 HydrophobicContact CG1-CD1 4.11Å; V519-L523 HydrophobicContact CG1-CG 4.38Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 2.81Å; V519-F544 HydrophobicContact CG1-CE1 4.4Å; V519-L548 HydrophobicContact CG1-CD1 4.45Å |
| 520 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.9 | -35.1 | -179.1 | -61.8 | -61.8 | 0 | 0 | 0 | 111.5 | L516 H522 L523 T524 L572 I573 Y576 F580 | L516-I520 HydrophobicContact CD1-CD1 4.28Å; L516-I520 HydrophobicContact CD1-CG1 3.89Å; L516-I520 HydrophobicContact CG-CG1 4.05Å; L516-I520 WeakPolarHBondContact O-CB 3.33Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.44Å; L516-I520 PolarHBondContact O-N 3.3Å; I520-H522 PolarHBondContact O-N 3.48Å; I520-L523 HydrophobicContact CD1-CD1 4.47Å; I520-L523 PolarHBondContact O-N 2.79Å; I520-T524 WeakPolarHBondContact O-CB 3.34Å; I520-T524 PolarHBondContact O-N 2.83Å; I520-T524 PolarHBondContact O-OG1 3.01Å; I520-L572 HydrophobicContact CD1-CB 3.84Å; I520-L572 HydrophobicContact CD1-CD1 3.94Å; I520-L572 HydrophobicContact CG1-CB 4.11Å; I520-L572 HydrophobicContact CG1-CD1 4.19Å; I520-L572 HydrophobicContact CG2-CB 4.03Å; I520-L572 VanDerWaalsContact CG2-O 3.26Å; I520-L572 WeakPolarHBondContact CG2-O 3.5Å; I520-I573 HydrophobicContact CD1-CG1 4.42Å; I520-I573 HydrophobicContact CG2-CG1 4.26Å; I520-Y576 HydrophobicContact CB-CD2 4.38Å; I520-Y576 HydrophobicContact CG2-CD2 3.84Å; I520-Y576 HydrophobicContact CG2-CG 4.42Å; I520-F580 HydrophobicContact CB-CE2 4.08Å; I520-F580 HydrophobicContact CB-CZ 4.25Å; I520-F580 HydrophobicContact CG1-CE2 4.24Å; I520-F580 HydrophobicContact CG1-CZ 4.05Å; I520-F580 HydrophobicContact CG2-CE2 3.88Å |
| 521 | C | 98 | Very high | 96.8 | Very high | 35 Ų | 35 | 40.7 Ų | 40.7 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.3 | -55.3 | 169.7 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | D517 L523 T524 D525 Y576 | D517-C521 VanDerWaalsContact O-CB 3.25Å; D517-C521 WeakPolarHBondContact O-CB 3.17Å; D517-C521 PolarHBondContact O-N 3.13Å; C521-L523 PolarHBondContact O-N 2.77Å; C521-T524 WeakPolarHBondContact O-CA 3.29Å; C521-T524 VanDerWaalsContact O-CB 3.27Å; C521-T524 WeakPolarHBondContact O-CB 3.44Å; C521-T524 PolarHBondContact O-N 3.12Å; C521-D525 PolarHBondContact O-N 3.36Å; C521-D525 VanDerWaalsContact O-N 3.11Å; C521-Y576 HydrophobicContact CB-CE1 4.27Å; C521-Y576 HydrophobicContact CB-CE2 3.74Å; C521-Y576 VanDerWaalsContact CB-CZ 3.49Å; C521-Y576 WeakPolarHBondContact CB-OH 3.5Å; C521-Y576 PolarHBondContact SG-OH 2.85Å |
| 522 | H | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | -179.7 | 179.3 | 68.3 | 0 | 0 | 0 | 112.7 | I407 E411 Y421 M518 V519 I520 T524 D525 V526 | I407-H522 HydrophobicContact CD1-CB 3.96Å; I407-H522 HydrophobicContact CG1-CB 4.02Å; I407-H522 HydrophobicContact CG2-CB 4.1Å; E411-H522 WeakPolarHBondContact CG-ND1 3.41Å; E411-H522 IonicContact OE1-CE1 2.88Å; E411-H522 IonicContact OE1-CG 3.03Å; E411-H522 IonicContact OE1-ND1 3.05Å; E411-H522 PolarHBondContact OE1-ND1 3.14Å; Y421-H522 AromaticContact CE2-CD2 3.86Å; Y421-H522 AromaticContact CE2-NE2 3.5Å; Y421-H522 WeakPolarHBondContact CE2-NE2 3.46Å; Y421-H522 AromaticContact CZ-CD2 3.85Å; Y421-H522 AromaticContact CZ-NE2 3.58Å; Y421-H522 PolarHBondContact OH-CD2 2.94Å; Y421-H522 PolarHBondContact OH-NE2 3.29Å; M518-H522 PolarHBondContact O-N 3.03Å; V519-H522 PolarHBondContact O-N 3.18Å; I520-H522 PolarHBondContact O-N 3.48Å; H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.44Å; H522-D525 PolarHBondContact O-N 2.91Å; H522-V526 WeakPolarHBondContact O-CG2 3.46Å; H522-V526 PolarHBondContact O-N 2.85Å |
| 523 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.8 | -29.5 | 177.1 | -64.1 | -177.5 | 0 | 0 | 0 | 112.8 | Y421 V519 I520 C521 V526 S527 L540 F544 I573 | Y421-L523 HydrophobicContact CD2-CD2 4.14Å; Y421-L523 HydrophobicContact CE2-CD2 3.98Å; V519-L523 HydrophobicContact CG1-CD1 4.11Å; V519-L523 HydrophobicContact CG1-CG 4.38Å; V519-L523 WeakPolarHBondContact O-CG 3.44Å; V519-L523 PolarHBondContact O-N 2.81Å; I520-L523 HydrophobicContact CD1-CD1 4.47Å; I520-L523 PolarHBondContact O-N 2.79Å; C521-L523 PolarHBondContact O-N 2.77Å; L523-V526 PolarHBondContact O-N 2.83Å; L523-S527 PolarHBondContact O-N 2.92Å; L523-S527 PolarHBondContact O-OG 3.16Å; L523-L540 HydrophobicContact CB-CD1 4.28Å; L523-L540 HydrophobicContact CD2-CD2 4.28Å; L523-L540 VanDerWaalsContact O-CD1 3.29Å; L523-L540 WeakPolarHBondContact O-CD1 3.44Å; L523-F544 HydrophobicContact CD1-CB 4.2Å; L523-F544 HydrophobicContact CD1-CD1 3.95Å; L523-F544 HydrophobicContact CD1-CD2 3.66Å; L523-F544 HydrophobicContact CD1-CE1 4.22Å; L523-F544 HydrophobicContact CD1-CE2 3.95Å; L523-F544 HydrophobicContact CD1-CG 3.66Å; L523-F544 HydrophobicContact CD1-CZ 4.22Å; L523-F544 HydrophobicContact CD2-CD2 3.95Å; L523-F544 HydrophobicContact CD2-CE1 4.46Å; L523-F544 HydrophobicContact CD2-CE2 3.43Å; L523-F544 VanDerWaalsContact CD2-CE2 3.43Å; L523-F544 HydrophobicContact CD2-CZ 3.73Å; L523-F544 HydrophobicContact CG-CD2 4.49Å; L523-F544 HydrophobicContact CG-CE2 4.34Å; L523-I573 HydrophobicContact CB-CD1 3.82Å; L523-I573 HydrophobicContact CB-CG1 4.07Å; L523-I573 HydrophobicContact CD1-CD1 4.26Å |
| 524 | T | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 171.9 | -51.2 | 0 | 0 | 0 | 0 | 111.1 | I520 C521 H522 S527 R528 | I520-T524 WeakPolarHBondContact O-CB 3.34Å; I520-T524 PolarHBondContact O-N 2.83Å; I520-T524 PolarHBondContact O-OG1 3.01Å; C521-T524 WeakPolarHBondContact O-CA 3.29Å; C521-T524 VanDerWaalsContact O-CB 3.27Å; C521-T524 WeakPolarHBondContact O-CB 3.44Å; C521-T524 PolarHBondContact O-N 3.12Å; H522-T524 VanDerWaalsContact C-N 3.26Å; H522-T524 PolarHBondContact O-N 3.44Å; T524-S527 PolarHBondContact O-N 3.27Å; T524-S527 PolarHBondContact O-OG 2.94Å; T524-R528 VanDerWaalsContact O-CG 3.25Å; T524-R528 WeakPolarHBondContact O-CG 3.47Å; T524-R528 PolarHBondContact O-N 2.98Å |
| 525 | D | 97.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 25% | 0.246 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -29.4 | 176 | -76.1 | -54.8 | 0 | 0 | 0 | 113.9 | C521 H522 R528 | C521-D525 PolarHBondContact O-N 3.36Å; C521-D525 VanDerWaalsContact O-N 3.11Å; H522-D525 PolarHBondContact O-N 2.91Å; D525-R528 VanDerWaalsContact OD1-CD 3.29Å; D525-R528 WeakPolarHBondContact OD1-CD 3.47Å; D525-R528 IonicContact OD1-CZ 3.83Å; D525-R528 IonicContact OD1-NE 2.87Å; D525-R528 IonicContact OD1-NH1 3.3Å; D525-R528 PolarHBondContact OD1-NH1 2.74Å; D525-R528 IonicContact OD2-NH1 3.03Å |
| 526 | V | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | 166.8 | 174.9 | 0 | 0 | 0 | 0 | 110.9 | L415 I420 Y421 H522 L523 R528 K529 N533 M535 L540 | L415-V526 HydrophobicContact CD2-CG2 3.63Å; I420-V526 HydrophobicContact CG2-CG1 3.71Å; Y421-V526 HydrophobicContact CE2-CG2 4.14Å; H522-V526 WeakPolarHBondContact O-CG2 3.46Å; H522-V526 PolarHBondContact O-N 2.85Å; L523-V526 PolarHBondContact O-N 2.83Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 2.94Å; V526-K529 PolarHBondContact O-N 3.31Å; V526-K529 VanDerWaalsContact O-N 3.08Å; V526-N533 PolarHBondContact O-ND2 3.25Å; V526-M535 HydrophobicContact CG1-CB 4.23Å; V526-L540 HydrophobicContact CB-CD1 4.16Å; V526-L540 HydrophobicContact CG1-CD1 3.96Å; V526-L540 HydrophobicContact CG1-CD2 3.99Å |
| 527 | S | 96.7 | Very high | 96.4 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.8 | -30.9 | -179.5 | 65.7 | 0 | 0 | 0 | 0 | 112.9 | L523 T524 K529 Y530 | L523-S527 PolarHBondContact O-N 2.92Å; L523-S527 PolarHBondContact O-OG 3.16Å; T524-S527 PolarHBondContact O-N 3.27Å; T524-S527 PolarHBondContact O-OG 2.94Å; S527-K529 PolarHBondContact O-N 3.31Å; S527-K529 VanDerWaalsContact O-N 3.13Å; S527-Y530 WeakPolarHBondContact O-CB 3.17Å; S527-Y530 PolarHBondContact O-N 2.89Å; S527-Y530 VanDerWaalsContact O-N 3.15Å |
| 528 | R | 96.5 | Very high | 96.1 | Very high | 143 Ų | 143 | 45.2 Ų | 45.2 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.5 | 172.4 | -75.6 | 166.2 | -177.1 | 163.4 | 1.5 | 113.2 | T524 D525 V526 E577 | T524-R528 VanDerWaalsContact O-CG 3.25Å; T524-R528 WeakPolarHBondContact O-CG 3.47Å; T524-R528 PolarHBondContact O-N 2.98Å; D525-R528 VanDerWaalsContact OD1-CD 3.29Å; D525-R528 WeakPolarHBondContact OD1-CD 3.47Å; D525-R528 IonicContact OD1-CZ 3.83Å; D525-R528 IonicContact OD1-NE 2.87Å; D525-R528 IonicContact OD1-NH1 3.3Å; D525-R528 PolarHBondContact OD1-NH1 2.74Å; D525-R528 IonicContact OD2-NH1 3.03Å; V526-R528 VanDerWaalsContact C-N 3.3Å; V526-R528 PolarHBondContact O-N 2.94Å; R528-E577 IonicContact NH2-OE1 2.81Å |
| 529 | K | 94.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 33% | 0.33 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 19.3 | 176.4 | -61.9 | -151.9 | -174.4 | -173 | 0 | 115 | L415 E416 V526 S527 E531 K532 N533 | L415-K529 HydrophobicContact CB-CD 3.79Å; L415-K529 HydrophobicContact CB-CG 4.46Å; L415-K529 WeakPolarHBondContact O-CB 3.35Å; E416-K529 HydrophobicContact CG-CD 3.6Å; E416-K529 IonicContact OE1-NZ 3.63Å; E416-K529 PolarHBondContact OE1-NZ 2.82Å; V526-K529 PolarHBondContact O-N 3.31Å; V526-K529 VanDerWaalsContact O-N 3.08Å; S527-K529 PolarHBondContact O-N 3.31Å; S527-K529 VanDerWaalsContact O-N 3.13Å; K529-E531 PolarHBondContact O-N 2.78Å; K529-K532 PolarHBondContact O-N 3.37Å; K529-N533 PolarHBondContact O-N 3.17Å |
| 530 | Y | 94 | Very high | 95.8 | Very high | 124 Ų | 124 | 45.3 Ų | 45.3 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.2 | -30.3 | -173.6 | 85.5 | -86.6 | 0 | 0 | 0 | 114.9 | S527 K532 N533 K534 M535 | S527-Y530 WeakPolarHBondContact O-CB 3.17Å; S527-Y530 PolarHBondContact O-N 2.89Å; S527-Y530 VanDerWaalsContact O-N 3.15Å; Y530-K532 PolarHBondContact O-N 3.24Å; Y530-N533 WeakPolarHBondContact CA-OD1 3.23Å; Y530-K534 WeakPolarHBondContact O-CA 3.26Å; Y530-K534 PolarHBondContact O-N 3.23Å; Y530-M535 WeakPolarHBondContact CB-O 3.41Å |
| 531 | E | 94.6 | Very high | 95.6 | Very high | 141 Ų | 141 | 45.3 Ų | 45.3 | 66% | 0.659 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.2 | -35.3 | 178.7 | -64.6 | -174.3 | 169.5 | 0 | 0 | 112.6 | K529 K534 | K529-E531 PolarHBondContact O-N 2.78Å; E531-K534 PolarHBondContact O-NZ 3.24Å |
| 532 | K | 95.1 | Very high | 95.2 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -87.5 | -59.8 | 174.1 | -67.4 | -177.7 | 178.5 | 179.3 | 0 | 110.8 | E416 K529 Y530 K534 | E416-K532 HydrophobicContact CB-CB 4.45Å; E416-K532 HydrophobicContact CB-CD 4.17Å; E416-K532 HydrophobicContact CG-CD 3.9Å; E416-K532 IonicContact OE1-NZ 3.43Å; E416-K532 PolarHBondContact OE1-NZ 3.21Å; E416-K532 WeakPolarHBondContact OE2-CD 3.39Å; E416-K532 WeakPolarHBondContact OE2-CE 3.48Å; E416-K532 IonicContact OE2-NZ 3.86Å; E416-K532 PolarHBondContact OE2-NZ 3.25Å; K529-K532 PolarHBondContact O-N 3.37Å; Y530-K532 PolarHBondContact O-N 3.24Å; K532-K534 VanDerWaalsContact C-N 3.29Å; K532-K534 WeakPolarHBondContact O-CE 3.43Å; K532-K534 PolarHBondContact O-N 2.87Å |
| 533 | N | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -78.4 | -7.3 | -169.4 | 72.3 | 30.9 | 0 | 0 | 0 | 114.3 | L415 D417 E418 G419 I420 V526 K529 Y530 M535 | L415-N533 WeakPolarHBondContact O-CB 3.34Å; L415-N533 PolarHBondContact O-ND2 2.89Å; D417-N533 WeakPolarHBondContact O-CB 3.46Å; E418-N533 CarbonylContact C-O 3.56Å; E418-N533 WeakPolarHBondContact CA-O 3.26Å; G419-N533 PolarHBondContact N-O 3.21Å; I420-N533 HydrophobicContact CG2-CB 4.26Å; V526-N533 PolarHBondContact O-ND2 3.25Å; K529-N533 PolarHBondContact O-N 3.17Å; Y530-N533 WeakPolarHBondContact CA-OD1 3.23Å; N533-M535 PolarHBondContact O-N 3.36Å; N533-M535 WeakPolarHBondContact OD1-CA 3.18Å; N533-M535 WeakPolarHBondContact OD1-CB 3.29Å; N533-M535 PolarHBondContact OD1-N 2.96Å |
| 534 | K | 94.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | trans | 59.8 | 20.2 | 179.7 | -40.3 | -55 | 178.9 | -176.8 | 0 | 114.9 | Y530 E531 K532 N539 | Y530-K534 WeakPolarHBondContact O-CA 3.26Å; Y530-K534 PolarHBondContact O-N 3.23Å; E531-K534 PolarHBondContact O-NZ 3.24Å; K532-K534 VanDerWaalsContact C-N 3.29Å; K532-K534 WeakPolarHBondContact O-CE 3.43Å; K532-K534 PolarHBondContact O-N 2.87Å; K534-N539 PolarHBondContact O-ND2 3.13Å | ||
| 535 | M | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -109 | 87.3 | 176.8 | -63.1 | -58.3 | -64.8 | 0 | 0 | 110.3 | I420 R422 V526 Y530 N533 N539 L540 V543 | I420-M535 HydrophobicContact CG2-CG 4.05Å; I420-M535 WeakPolarHBondContact O-CG 3.5Å; R422-M535 HydrophobicContact CB-CE 3.81Å; R422-M535 HydrophobicContact CB-SD 3.68Å; V526-M535 HydrophobicContact CG1-CB 4.23Å; Y530-M535 WeakPolarHBondContact CB-O 3.41Å; N533-M535 PolarHBondContact O-N 3.36Å; N533-M535 WeakPolarHBondContact OD1-CA 3.18Å; N533-M535 WeakPolarHBondContact OD1-CB 3.29Å; N533-M535 PolarHBondContact OD1-N 2.96Å; M535-N539 HydrophobicContact CE-CB 3.69Å; M535-N539 WeakPolarHBondContact CE-O 3.25Å; M535-N539 HydrophobicContact SD-CB 4.04Å; M535-L540 HydrophobicContact CB-CD2 3.98Å; M535-L540 HydrophobicContact CB-CG 4.24Å; M535-L540 HydrophobicContact CE-CD2 3.71Å; M535-L540 HydrophobicContact CE-CG 4.37Å; M535-L540 HydrophobicContact CG-CD2 4.5Å; M535-V543 HydrophobicContact CE-CG2 4.33Å | ||
| 536 | S | 94.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | trans | -65.3 | 166.7 | 167.9 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | F538 N539 L540 | S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.31Å; S536-N539 PolarHBondContact O-N 3.1Å; S536-N539 PolarHBondContact OG-N 2.73Å; S536-N539 PolarHBondContact OG-OD1 3.32Å; S536-L540 PolarHBondContact O-N 2.95Å | ||
| 537 | V | 96 | Very high | 93.9 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -51.4 | -46.6 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | N539 L540 G541 N570 I573 | V537-N539 PolarHBondContact O-N 2.87Å; V537-L540 PolarHBondContact O-N 3.38Å; V537-L540 VanDerWaalsContact O-N 3.15Å; V537-G541 PolarHBondContact O-N 3.35Å; V537-N570 HydrophobicContact CG1-CB 4Å; V537-N570 PolarHBondContact O-OD1 2.97Å; V537-I573 HydrophobicContact CB-CG2 4.46Å; V537-I573 HydrophobicContact CG1-CB 3.94Å; V537-I573 HydrophobicContact CG1-CD1 4.35Å; V537-I573 HydrophobicContact CG1-CG2 3.95Å; V537-I573 HydrophobicContact CG2-CG2 3.85Å |
| 538 | F | 91.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 174.6 | 173.6 | -109.6 | 0 | 0 | 0 | 113.2 | K242 S536 L540 G541 V542 N570 | K242-F538 HydrophobicContact CD-CE2 4.24Å; K242-F538 HydrophobicContact CD-CZ 4.25Å; K242-F538 VanDerWaalsContact CE-CD2 3.41Å; K242-F538 HydrophobicContact CG-CE1 3.8Å; K242-F538 HydrophobicContact CG-CE2 3.9Å; K242-F538 HydrophobicContact CG-CZ 3.45Å; K242-F538 VanDerWaalsContact CG-CZ 3.45Å; S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.31Å; F538-L540 PolarHBondContact O-N 3.2Å; F538-G541 PolarHBondContact O-N 3.27Å; F538-G541 VanDerWaalsContact O-N 3.11Å; F538-V542 HydrophobicContact CD2-CG2 4.21Å; F538-V542 HydrophobicContact CE1-CG2 4.01Å; F538-V542 HydrophobicContact CE2-CG2 3.59Å; F538-V542 HydrophobicContact CZ-CG2 3.46Å; F538-V542 VanDerWaalsContact CZ-CG2 3.46Å; F538-V542 WeakPolarHBondContact O-CG2 3.27Å; F538-V542 PolarHBondContact O-N 3.38Å; F538-N570 WeakPolarHBondContact CA-OD1 3.32Å |
| 539 | N | 92.4 | Very high | 93.6 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.3 | -31.3 | 179.8 | -64.3 | -1.1 | 0 | 0 | 0 | 111.7 | K534 M535 S536 V537 V543 | K534-N539 PolarHBondContact O-ND2 3.13Å; M535-N539 HydrophobicContact CE-CB 3.69Å; M535-N539 WeakPolarHBondContact CE-O 3.25Å; M535-N539 HydrophobicContact SD-CB 4.04Å; S536-N539 PolarHBondContact O-N 3.1Å; S536-N539 PolarHBondContact OG-N 2.73Å; S536-N539 PolarHBondContact OG-OD1 3.32Å; V537-N539 PolarHBondContact O-N 2.87Å; N539-V543 WeakPolarHBondContact O-CG2 3.48Å |
| 540 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.6 | -38.9 | 172.2 | -61.8 | 173.4 | 0 | 0 | 0 | 111.4 | Y421 L523 V526 M535 S536 V537 F538 V542 V543 F544 I573 | Y421-L540 HydrophobicContact CD2-CD2 4.38Å; L523-L540 HydrophobicContact CB-CD1 4.28Å; L523-L540 HydrophobicContact CD2-CD2 4.28Å; L523-L540 VanDerWaalsContact O-CD1 3.29Å; L523-L540 WeakPolarHBondContact O-CD1 3.44Å; V526-L540 HydrophobicContact CB-CD1 4.16Å; V526-L540 HydrophobicContact CG1-CD1 3.96Å; V526-L540 HydrophobicContact CG1-CD2 3.99Å; M535-L540 HydrophobicContact CB-CD2 3.98Å; M535-L540 HydrophobicContact CB-CG 4.24Å; M535-L540 HydrophobicContact CE-CD2 3.71Å; M535-L540 HydrophobicContact CE-CG 4.37Å; M535-L540 HydrophobicContact CG-CD2 4.5Å; S536-L540 PolarHBondContact O-N 2.95Å; V537-L540 PolarHBondContact O-N 3.38Å; V537-L540 VanDerWaalsContact O-N 3.15Å; F538-L540 PolarHBondContact O-N 3.2Å; L540-V542 PolarHBondContact O-N 3.32Å; L540-V543 PolarHBondContact O-N 3.06Å; L540-V543 VanDerWaalsContact O-N 3.13Å; L540-F544 WeakPolarHBondContact O-CB 3.29Å; L540-F544 PolarHBondContact O-N 2.94Å; L540-I573 HydrophobicContact CB-CD1 4.06Å; L540-I573 HydrophobicContact CD1-CD1 4.43Å |
| 541 | G | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.7 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V537 F538 V543 G545 N566 N570 | V537-G541 PolarHBondContact O-N 3.35Å; F538-G541 PolarHBondContact O-N 3.27Å; F538-G541 VanDerWaalsContact O-N 3.11Å; G541-V543 PolarHBondContact O-N 3.49Å; G541-G545 WeakPolarHBondContact O-CA 3.35Å; G541-G545 PolarHBondContact O-N 2.9Å; G541-N566 PolarHBondContact O-OD1 3.49Å; G541-N570 WeakPolarHBondContact CA-OD1 3.35Å |
| 542 | V | 91 | Very high | 92.1 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.1 | 175.1 | 0 | 0 | 0 | 0 | 112 | F538 L540 P546 | F538-V542 HydrophobicContact CD2-CG2 4.21Å; F538-V542 HydrophobicContact CE1-CG2 4.01Å; F538-V542 HydrophobicContact CE2-CG2 3.59Å; F538-V542 HydrophobicContact CZ-CG2 3.46Å; F538-V542 VanDerWaalsContact CZ-CG2 3.46Å; F538-V542 WeakPolarHBondContact O-CG2 3.27Å; F538-V542 PolarHBondContact O-N 3.38Å; L540-V542 PolarHBondContact O-N 3.32Å; V542-P546 WeakPolarHBondContact O-CD 3.29Å |
| 543 | V | 92.5 | Very high | 91 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 16% | 0.158 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -75.2 | -36.7 | -178.8 | 173.6 | 0 | 0 | 0 | 0 | 112.6 | R422 K466 M535 N539 L540 G541 T547 | R422-V543 HydrophobicContact CB-CG2 4.45Å; K466-V543 HydrophobicContact CD-CG1 3.51Å; M535-V543 HydrophobicContact CE-CG2 4.33Å; N539-V543 WeakPolarHBondContact O-CG2 3.48Å; L540-V543 PolarHBondContact O-N 3.06Å; L540-V543 VanDerWaalsContact O-N 3.13Å; G541-V543 PolarHBondContact O-N 3.49Å; V543-T547 PolarHBondContact O-OG1 3.39Å |
| 544 | F | 95.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -99.3 | -22.2 | -172.9 | -79.7 | -89 | 0 | 0 | 0 | 114.6 | Y421 L465 K466 L469 V519 L523 L540 T547 L548 I569 | Y421-F544 AromaticContact CD1-CE2 3.86Å; Y421-F544 HydrophobicContact CD1-CE2 3.86Å; Y421-F544 AromaticContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD1-CZ 3.57Å; Y421-F544 HydrophobicContact CD2-CE2 4.08Å; Y421-F544 HydrophobicContact CD2-CZ 4.35Å; Y421-F544 HydrophobicContact CE1-CE2 4.44Å; Y421-F544 AromaticContact CE1-CZ 3.81Å; Y421-F544 HydrophobicContact CE1-CZ 3.81Å; Y421-F544 AromaticContact CG-CE2 3.66Å; Y421-F544 HydrophobicContact CG-CE2 3.66Å; Y421-F544 AromaticContact CG-CZ 3.87Å; Y421-F544 HydrophobicContact CG-CZ 3.87Å; L465-F544 HydrophobicContact CD2-CE1 4.08Å; L465-F544 HydrophobicContact CD2-CZ 4.21Å; K466-F544 HydrophobicContact CD-CZ 4.36Å; K466-F544 HydrophobicContact CG-CE1 4.06Å; K466-F544 HydrophobicContact CG-CZ 3.85Å; L469-F544 HydrophobicContact CD1-CE1 4.42Å; V519-F544 HydrophobicContact CG1-CE1 4.4Å; L523-F544 HydrophobicContact CD1-CB 4.2Å; L523-F544 HydrophobicContact CD1-CD1 3.95Å; L523-F544 HydrophobicContact CD1-CD2 3.66Å; L523-F544 HydrophobicContact CD1-CE1 4.22Å; L523-F544 HydrophobicContact CD1-CE2 3.95Å; L523-F544 HydrophobicContact CD1-CG 3.66Å; L523-F544 HydrophobicContact CD1-CZ 4.22Å; L523-F544 HydrophobicContact CD2-CD2 3.95Å; L523-F544 HydrophobicContact CD2-CE1 4.46Å; L523-F544 HydrophobicContact CD2-CE2 3.43Å; L523-F544 VanDerWaalsContact CD2-CE2 3.43Å; L523-F544 HydrophobicContact CD2-CZ 3.73Å; L523-F544 HydrophobicContact CG-CD2 4.49Å; L523-F544 HydrophobicContact CG-CE2 4.34Å; L540-F544 WeakPolarHBondContact O-CB 3.29Å; L540-F544 PolarHBondContact O-N 2.94Å; F544-T547 WeakPolarHBondContact O-CA 3.45Å; F544-T547 WeakPolarHBondContact O-CB 3.12Å; F544-T547 PolarHBondContact O-N 2.97Å; F544-L548 HydrophobicContact CB-CD1 4.2Å; F544-L548 HydrophobicContact CB-CG 4.36Å; F544-L548 HydrophobicContact CD1-CD1 4.15Å; F544-L548 HydrophobicContact CD1-CD2 4.41Å; F544-L548 HydrophobicContact CD1-CG 4.17Å; F544-L548 WeakPolarHBondContact O-CB 3.43Å; F544-L548 WeakPolarHBondContact O-CG 3.35Å; F544-L548 PolarHBondContact O-N 3.15Å; F544-I569 HydrophobicContact CB-CG2 4.03Å |
| 545 | G | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.6 | -57.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G541 T547 L549 | G541-G545 WeakPolarHBondContact O-CA 3.35Å; G541-G545 PolarHBondContact O-N 2.9Å; G545-T547 PolarHBondContact O-N 3.48Å; G545-L549 WeakPolarHBondContact O-CB 3.41Å; G545-L549 PolarHBondContact O-N 3.13Å |
| 546 | P | 88.7 | Confident | 89.1 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.8 | -16.9 | 175.5 | -18.3 | 31.8 | 0 | 0 | 0 | 114.2 | V542 I562 | V542-P546 WeakPolarHBondContact O-CD 3.29Å; P546-I562 HydrophobicContact CG-CG2 3.95Å |
| 547 | T | 91.6 | Very high | 88.6 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.086 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -83.7 | -45.5 | -179.3 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | L469 R470 V543 F544 G545 R550 | L469-T547 HydrophobicContact CB-CG2 4.02Å; R470-T547 HydrophobicContact CB-CG2 4.35Å; V543-T547 PolarHBondContact O-OG1 3.39Å; F544-T547 WeakPolarHBondContact O-CA 3.45Å; F544-T547 WeakPolarHBondContact O-CB 3.12Å; F544-T547 PolarHBondContact O-N 2.97Å; G545-T547 PolarHBondContact O-N 3.48Å; T547-R550 PolarHBondContact O-NH1 3.08Å |
| 548 | L | 95.4 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -95 | -29.8 | -172.1 | -57.3 | -176.5 | 0 | 0 | 0 | 113.6 | L469 P475 L476 M477 L516 V519 F544 I569 | L469-L548 HydrophobicContact CB-CD2 4.28Å; L469-L548 HydrophobicContact CD1-CD2 4.05Å; P475-L548 VanDerWaalsContact CB-O 3.3Å; P475-L548 WeakPolarHBondContact CB-O 3.36Å; L476-L548 HydrophobicContact CB-CD2 4.17Å; L476-L548 HydrophobicContact CD2-CD2 3.99Å; L476-L548 PolarHBondContact N-O 3.2Å; M477-L548 HydrophobicContact CG-CB 4.49Å; M477-L548 PolarHBondContact N-O 3.25Å; M477-L548 HydrophobicContact SD-CB 4.4Å; L516-L548 HydrophobicContact CD1-CD1 4.19Å; V519-L548 HydrophobicContact CG1-CD1 4.45Å; F544-L548 HydrophobicContact CB-CD1 4.2Å; F544-L548 HydrophobicContact CB-CG 4.36Å; F544-L548 HydrophobicContact CD1-CD1 4.15Å; F544-L548 HydrophobicContact CD1-CD2 4.41Å; F544-L548 HydrophobicContact CD1-CG 4.17Å; F544-L548 WeakPolarHBondContact O-CB 3.43Å; F544-L548 WeakPolarHBondContact O-CG 3.35Å; F544-L548 PolarHBondContact O-N 3.15Å; L548-I569 HydrophobicContact CB-CD1 4.23Å; L548-I569 HydrophobicContact CD1-CD1 3.88Å |
| 549 | L | 91.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -113.6 | 95.2 | 172.7 | -74.4 | 159.9 | 0 | 0 | 0 | 108.4 | M477 F485 G545 N565 V568 | M477-L549 HydrophobicContact CB-CD2 3.64Å; M477-L549 HydrophobicContact CB-CG 4.13Å; M477-L549 HydrophobicContact CE-CD1 4.41Å; M477-L549 HydrophobicContact CE-CD2 4.35Å; M477-L549 HydrophobicContact CE-CG 4.47Å; M477-L549 HydrophobicContact CG-CD2 4.41Å; M477-L549 HydrophobicContact CG-CG 4.43Å; M477-L549 HydrophobicContact SD-CD1 4Å; M477-L549 HydrophobicContact SD-CD2 4.12Å; M477-L549 HydrophobicContact SD-CG 3.77Å; F485-L549 HydrophobicContact CB-CD2 4.13Å; F485-L549 HydrophobicContact CD2-CD2 4.16Å; F485-L549 HydrophobicContact CG-CD2 4.4Å; G545-L549 WeakPolarHBondContact O-CB 3.41Å; G545-L549 PolarHBondContact O-N 3.13Å; L549-N565 HydrophobicContact CB-CB 4.1Å; L549-N565 WeakPolarHBondContact CB-ND2 3.48Å; L549-N565 HydrophobicContact CD1-CB 4.15Å; L549-N565 PolarHBondContact O-ND2 3.02Å; L549-V568 HydrophobicContact CD1-CB 3.77Å; L549-V568 HydrophobicContact CD1-CG1 3.91Å; L549-V568 HydrophobicContact CD1-CG2 4Å | ||
| 550 | R | 87.9 | Confident | 87.4 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | trans | -97.8 | 124.7 | 173.8 | -61.2 | -170.1 | -68.5 | -83 | 14 | 108.7 | L469 R470 L472 E474 P475 Y479 H482 T547 | L469-R550 PolarHBondContact O-NH1 2.83Å; R470-R550 PolarHBondContact O-NE 2.85Å; R470-R550 PolarHBondContact O-NH1 3.07Å; R470-R550 PolarHBondContact O-NH2 3.04Å; L472-R550 PolarHBondContact O-NH2 3.42Å; E474-R550 VanDerWaalsContact C-NH2 3.28Å; E474-R550 PolarHBondContact O-NH2 2.96Å; E474-R550 VanDerWaalsContact O-NH2 3.08Å; P475-R550 HydrophobicContact CB-CB 3.97Å; P475-R550 HydrophobicContact CB-CG 4.23Å; P475-R550 HydrophobicContact CG-CB 4.12Å; Y479-R550 WeakPolarHBondContact CD1-O 3.48Å; Y479-R550 HydrophobicContact CE1-CB 4.38Å; Y479-R550 VanDerWaalsContact CE1-O 3.25Å; Y479-R550 WeakPolarHBondContact CE1-O 3.49Å; H482-R550 VanDerWaalsContact CD2-C 3.48Å; H482-R550 PolarHBondContact CD2-O 3.08Å; T547-R550 PolarHBondContact O-NH1 3.08Å | ||
| 551 | P | 83.8 | Confident | 87 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | trans | -67.6 | 148.9 | 176.3 | 27.9 | -34.3 | 0 | 0 | 0 | 110.6 | H482 A558 | H482-P551 WeakPolarHBondContact NE2-CA 3.44Å; P551-A558 HydrophobicContact CB-CB 3.84Å; P551-A558 HydrophobicContact CG-CB 4.14Å | ||
| 552 | R | 79.2 | Confident | 86.7 | Confident | 197 Ų | 197 | 44 Ų | 44 | 74% | 0.743 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -71.9 | -28.7 | 179.2 | -174.6 | 175 | 175.2 | 169.3 | 0.5 | 113.1 | Y479 | Y479-R552 HydrophobicContact CD1-CB 3.83Å; Y479-R552 HydrophobicContact CD1-CG 4.44Å; Y479-R552 HydrophobicContact CE1-CB 4.29Å; Y479-R552 HydrophobicContact CG-CB 4.29Å |
| 553 | E | 72.9 | Confident | 86.7 | Confident | 120 Ų | 120 | 43.6 Ų | 43.6 | 56% | 0.561 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -120.4 | 126.2 | 178.1 | -67.6 | -173.5 | -164.1 | 0 | 0 | 110.9 | S555 A558 | E553-S555 PolarHBondContact O-N 3.07Å; E553-S555 VanDerWaalsContact O-N 3.07Å; E553-A558 WeakPolarHBondContact O-CB 3.33Å |
| 554 | E | 76 | Confident | 86.7 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | trans | -71.6 | 100.1 | 168.3 | -61.4 | -168 | 168.9 | 0 | 0 | 109.6 | L257 K260 | L257-E554 HydrophobicContact CD1-CB 3.62Å; K260-E554 WeakPolarHBondContact CD-OE2 3.48Å; K260-E554 IonicContact NZ-OE1 2.86Å; K260-E554 PolarHBondContact NZ-OE1 2.74Å; K260-E554 IonicContact NZ-OE2 2.7Å; K260-E554 PolarHBondContact NZ-OE2 2.87Å | ||
| 555 | S | 82.2 | Confident | 86.6 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | trans | -140.8 | 158.4 | 180 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | E553 A557 A558 I559 | E553-S555 PolarHBondContact O-N 3.07Å; E553-S555 VanDerWaalsContact O-N 3.07Å; S555-A557 VanDerWaalsContact C-N 3.29Å; S555-A557 PolarHBondContact O-N 2.79Å; S555-A558 PolarHBondContact O-N 3.02Å; S555-A558 VanDerWaalsContact OG-CB 3.31Å; S555-A558 WeakPolarHBondContact OG-CB 3.38Å; S555-A558 PolarHBondContact OG-N 3.02Å; S555-A558 VanDerWaalsContact OG-N 3.15Å; S555-I559 WeakPolarHBondContact O-CG1 3.2Å; S555-I559 PolarHBondContact O-N 2.9Å | ||
| 556 | V | 85.1 | Confident | 86.6 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -37.7 | 178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | V254 L257 I559 L560 | V254-V556 HydrophobicContact CG2-CG1 4.25Å; V254-V556 HydrophobicContact CG2-CG2 4.46Å; L257-V556 HydrophobicContact CD2-CG2 4.33Å; V556-I559 PolarHBondContact O-N 3.25Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å; V556-L560 WeakPolarHBondContact O-CG 3.17Å; V556-L560 PolarHBondContact O-N 3.38Å |
| 557 | A | 84.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 42.2 Ų | 42.2 | 55% | 0.554 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.8 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S555 I559 L560 D561 | S555-A557 VanDerWaalsContact C-N 3.29Å; S555-A557 PolarHBondContact O-N 2.79Å; A557-I559 VanDerWaalsContact C-N 3.27Å; A557-I559 PolarHBondContact O-N 3.27Å; A557-L560 PolarHBondContact O-N 3.15Å; A557-D561 PolarHBondContact O-N 2.98Å |
| 558 | A | 84 | Confident | 87.1 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.6 | -29.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P551 E553 S555 I562 | P551-A558 HydrophobicContact CB-CB 3.84Å; P551-A558 HydrophobicContact CG-CB 4.14Å; E553-A558 WeakPolarHBondContact O-CB 3.33Å; S555-A558 PolarHBondContact O-N 3.02Å; S555-A558 VanDerWaalsContact OG-CB 3.31Å; S555-A558 WeakPolarHBondContact OG-CB 3.38Å; S555-A558 PolarHBondContact OG-N 3.02Å; S555-A558 VanDerWaalsContact OG-N 3.15Å; A558-I562 WeakPolarHBondContact O-CG1 3.2Å |
| 559 | I | 84.5 | Confident | 87.2 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.9 | -41.8 | 173.9 | -67.1 | 162.2 | 0 | 0 | 0 | 111.3 | A250 K253 V254 L257 S555 V556 A557 D561 I562 | A250-I559 HydrophobicContact CB-CG2 3.98Å; K253-I559 HydrophobicContact CB-CD1 4.05Å; K253-I559 HydrophobicContact CB-CG1 4.16Å; K253-I559 HydrophobicContact CB-CG2 3.81Å; K253-I559 HydrophobicContact CD-CG2 4.44Å; V254-I559 HydrophobicContact CG2-CB 4.41Å; V254-I559 HydrophobicContact CG2-CD1 3.96Å; V254-I559 HydrophobicContact CG2-CG2 4.02Å; L257-I559 HydrophobicContact CB-CD1 4.22Å; L257-I559 HydrophobicContact CD2-CD1 3.71Å; S555-I559 WeakPolarHBondContact O-CG1 3.2Å; S555-I559 PolarHBondContact O-N 2.9Å; V556-I559 PolarHBondContact O-N 3.25Å; A557-I559 VanDerWaalsContact C-N 3.27Å; A557-I559 PolarHBondContact O-N 3.27Å; I559-D561 VanDerWaalsContact C-N 3.29Å; I559-D561 PolarHBondContact O-N 3.05Å; I559-I562 HydrophobicContact CB-CD1 4.49Å; I559-I562 HydrophobicContact CG2-CD1 4.41Å; I559-I562 WeakPolarHBondContact O-CB 3.4Å; I559-I562 WeakPolarHBondContact O-CG1 3.08Å; I559-I562 PolarHBondContact O-N 3.27Å |
| 560 | L | 85 | Confident | 87.4 | Confident | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.5 | -72 | 169.6 | 0 | 0 | 0 | 111.8 | I80 V556 A557 I562 K563 | I80-L560 HydrophobicContact CG2-CD1 3.87Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å; V556-L560 WeakPolarHBondContact O-CG 3.17Å; V556-L560 PolarHBondContact O-N 3.38Å; A557-L560 PolarHBondContact O-N 3.15Å; L560-I562 PolarHBondContact O-N 3.49Å; L560-K563 WeakPolarHBondContact O-CE 3.18Å |
| 561 | D | 88.9 | Confident | 87.8 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -9.1 | 178.7 | -88.7 | -2.3 | 0 | 0 | 0 | 114.2 | I486 K490 A557 I559 K563 F564 N565 | I486-D561 HydrophobicContact CG2-CB 4.2Å; K490-D561 WeakPolarHBondContact CE-OD1 3.04Å; K490-D561 VanDerWaalsContact NZ-CG 3.34Å; K490-D561 IonicContact NZ-OD1 3.61Å; K490-D561 PolarHBondContact NZ-OD1 3.21Å; K490-D561 IonicContact NZ-OD2 3.27Å; K490-D561 PolarHBondContact NZ-OD2 2.81Å; A557-D561 PolarHBondContact O-N 2.98Å; I559-D561 VanDerWaalsContact C-N 3.29Å; I559-D561 PolarHBondContact O-N 3.05Å; D561-K563 PolarHBondContact O-N 2.74Å; D561-K563 VanDerWaalsContact O-N 3.08Å; D561-F564 HydrophobicContact CB-CD2 4.29Å; D561-F564 WeakPolarHBondContact O-CA 3.46Å; D561-F564 WeakPolarHBondContact O-CB 3.34Å; D561-F564 PolarHBondContact O-N 2.67Å; D561-N565 PolarHBondContact O-N 2.97Å; D561-N565 PolarHBondContact O-OD1 2.98Å; D561-N565 VanDerWaalsContact O-OD1 3.13Å |
| 562 | I | 87.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.077 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.5 | -29.7 | 177.6 | -65.8 | 177.6 | 0 | 0 | 0 | 112.3 | K253 P546 A558 I559 L560 F564 N565 N566 | K253-I562 HydrophobicContact CD-CD1 3.59Å; P546-I562 HydrophobicContact CG-CG2 3.95Å; A558-I562 WeakPolarHBondContact O-CG1 3.2Å; I559-I562 HydrophobicContact CB-CD1 4.49Å; I559-I562 HydrophobicContact CG2-CD1 4.41Å; I559-I562 WeakPolarHBondContact O-CB 3.4Å; I559-I562 WeakPolarHBondContact O-CG1 3.08Å; I559-I562 PolarHBondContact O-N 3.27Å; L560-I562 PolarHBondContact O-N 3.49Å; I562-F564 PolarHBondContact O-N 2.98Å; I562-N565 WeakPolarHBondContact CA-OD1 3.34Å; I562-N565 VanDerWaalsContact O-CB 3.31Å; I562-N565 WeakPolarHBondContact O-CB 3.45Å; I562-N565 PolarHBondContact O-N 3.18Å; I562-N566 PolarHBondContact O-N 3.15Å; I562-N566 VanDerWaalsContact O-N 3.12Å; I562-N566 PolarHBondContact O-OD1 2.92Å |
| 563 | K | 89.6 | Confident | 89.4 | Confident | 32 Ų | 32 | 30.2 Ų | 30.2 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.3 | -31.9 | 173.6 | 73.5 | -177.9 | 79.5 | 172.2 | 0 | 112.4 | T85 E88 L560 D561 I567 | T85-K563 HydrophobicContact CG2-CB 4.3Å; T85-K563 HydrophobicContact CG2-CD 3.5Å; T85-K563 VanDerWaalsContact CG2-CD 3.5Å; T85-K563 HydrophobicContact CG2-CG 3.74Å; E88-K563 VanDerWaalsContact CD-NZ 3.34Å; E88-K563 IonicContact OE1-NZ 2.68Å; E88-K563 PolarHBondContact OE1-NZ 3.15Å; E88-K563 WeakPolarHBondContact OE2-CD 3.31Å; E88-K563 IonicContact OE2-NZ 2.74Å; E88-K563 PolarHBondContact OE2-NZ 3.02Å; L560-K563 WeakPolarHBondContact O-CE 3.18Å; D561-K563 PolarHBondContact O-N 2.74Å; D561-K563 VanDerWaalsContact O-N 3.08Å; K563-I567 WeakPolarHBondContact O-CG1 3.33Å; K563-I567 PolarHBondContact O-N 2.7Å |
| 564 | F | 93 | Very high | 90.5 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.7 | -33.3 | 175.7 | -58.8 | -70.6 | 0 | 0 | 0 | 112.1 | A83 T85 I486 A489 K490 D561 I562 N566 I567 V568 | A83-F564 HydrophobicContact CB-CE1 4.48Å; A83-F564 HydrophobicContact CB-CE2 4.36Å; A83-F564 HydrophobicContact CB-CZ 3.79Å; T85-F564 HydrophobicContact CG2-CD1 4.23Å; T85-F564 HydrophobicContact CG2-CE1 3.71Å; T85-F564 HydrophobicContact CG2-CZ 4.09Å; I486-F564 HydrophobicContact CD1-CB 4.27Å; I486-F564 HydrophobicContact CG2-CB 4.06Å; I486-F564 HydrophobicContact CG2-CD2 4.42Å; I486-F564 HydrophobicContact CG2-CG 4.49Å; A489-F564 HydrophobicContact CB-CB 4.06Å; A489-F564 HydrophobicContact CB-CD1 4.5Å; K490-F564 HydrophobicContact CD-CD2 4.48Å; K490-F564 HydrophobicContact CD-CE2 4.41Å; K490-F564 HydrophobicContact CG-CD1 3.79Å; K490-F564 HydrophobicContact CG-CD2 4.11Å; K490-F564 HydrophobicContact CG-CE1 3.74Å; K490-F564 HydrophobicContact CG-CE2 4.07Å; K490-F564 HydrophobicContact CG-CG 4Å; K490-F564 HydrophobicContact CG-CZ 3.9Å; D561-F564 HydrophobicContact CB-CD2 4.29Å; D561-F564 WeakPolarHBondContact O-CA 3.46Å; D561-F564 WeakPolarHBondContact O-CB 3.34Å; D561-F564 PolarHBondContact O-N 2.67Å; I562-F564 PolarHBondContact O-N 2.98Å; F564-N566 PolarHBondContact O-N 2.75Å; F564-I567 HydrophobicContact CD1-CD1 4.09Å; F564-I567 WeakPolarHBondContact O-CA 3.25Å; F564-I567 WeakPolarHBondContact O-CB 3.21Å; F564-I567 PolarHBondContact O-N 3.33Å; F564-V568 WeakPolarHBondContact O-CG2 3.38Å; F564-V568 PolarHBondContact O-N 2.99Å |
| 565 | N | 92.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.4 | -43.9 | 169.5 | -54.6 | 36.1 | 0 | 0 | 0 | 110.3 | I486 L549 D561 I562 I567 V568 I569 | I486-N565 HydrophobicContact CD1-CB 4.42Å; I486-N565 WeakPolarHBondContact CD1-OD1 3.22Å; L549-N565 HydrophobicContact CB-CB 4.1Å; L549-N565 WeakPolarHBondContact CB-ND2 3.48Å; L549-N565 HydrophobicContact CD1-CB 4.15Å; L549-N565 PolarHBondContact O-ND2 3.02Å; D561-N565 PolarHBondContact O-N 2.97Å; D561-N565 PolarHBondContact O-OD1 2.98Å; D561-N565 VanDerWaalsContact O-OD1 3.13Å; I562-N565 WeakPolarHBondContact CA-OD1 3.34Å; I562-N565 VanDerWaalsContact O-CB 3.31Å; I562-N565 WeakPolarHBondContact O-CB 3.45Å; I562-N565 PolarHBondContact O-N 3.18Å; N565-I567 VanDerWaalsContact C-N 3.34Å; N565-I567 PolarHBondContact O-N 2.75Å; N565-V568 PolarHBondContact O-N 3.42Å; N565-I569 PolarHBondContact O-N 3.47Å |
| 566 | N | 93.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 178 | -58.3 | -7.1 | 0 | 0 | 0 | 111.3 | G541 I562 F564 I569 N570 | G541-N566 PolarHBondContact O-OD1 3.49Å; I562-N566 PolarHBondContact O-N 3.15Å; I562-N566 VanDerWaalsContact O-N 3.12Å; I562-N566 PolarHBondContact O-OD1 2.92Å; F564-N566 PolarHBondContact O-N 2.75Å; N566-I569 PolarHBondContact O-N 3.02Å; N566-N570 PolarHBondContact O-N 3.39Å; N566-N570 PolarHBondContact O-ND2 2.89Å; N566-N570 PolarHBondContact O-OD1 3.44Å |
| 567 | I | 94.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 174.7 | -71.5 | 168.1 | 0 | 0 | 0 | 112.2 | T85 A489 K563 F564 N565 I569 N570 I571 | T85-I567 HydrophobicContact CG2-CD1 3.51Å; A489-I567 HydrophobicContact CB-CB 4.41Å; A489-I567 HydrophobicContact CB-CG2 4.02Å; K563-I567 WeakPolarHBondContact O-CG1 3.33Å; K563-I567 PolarHBondContact O-N 2.7Å; F564-I567 HydrophobicContact CD1-CD1 4.09Å; F564-I567 WeakPolarHBondContact O-CA 3.25Å; F564-I567 WeakPolarHBondContact O-CB 3.21Å; F564-I567 PolarHBondContact O-N 3.33Å; N565-I567 VanDerWaalsContact C-N 3.34Å; N565-I567 PolarHBondContact O-N 2.75Å; I567-I569 VanDerWaalsContact C-N 3.32Å; I567-I569 PolarHBondContact O-N 2.69Å; I567-N570 PolarHBondContact O-N 2.87Å; I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.44Å; I567-I571 WeakPolarHBondContact O-CG1 3.29Å; I567-I571 PolarHBondContact O-N 3.43Å |
| 568 | V | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58 | -46.5 | 175 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | M477 F485 A489 V501 L549 F564 N565 N570 I571 L572 | M477-V568 HydrophobicContact CE-CG1 3.7Å; M477-V568 HydrophobicContact SD-CG1 4.43Å; F485-V568 HydrophobicContact CB-CG2 4.22Å; F485-V568 HydrophobicContact CD1-CG1 4.06Å; F485-V568 WeakPolarHBondContact O-CG2 3.22Å; A489-V568 HydrophobicContact CB-CG2 3.68Å; V501-V568 HydrophobicContact CG1-CG1 4.33Å; V501-V568 HydrophobicContact CG2-CG1 4.47Å; L549-V568 HydrophobicContact CD1-CB 3.77Å; L549-V568 HydrophobicContact CD1-CG1 3.91Å; L549-V568 HydrophobicContact CD1-CG2 4Å; F564-V568 WeakPolarHBondContact O-CG2 3.38Å; F564-V568 PolarHBondContact O-N 2.99Å; N565-V568 PolarHBondContact O-N 3.42Å; V568-N570 PolarHBondContact O-N 2.95Å; V568-I571 WeakPolarHBondContact O-CB 3.39Å; V568-I571 PolarHBondContact O-N 2.86Å; V568-L572 HydrophobicContact CG1-CD1 4.33Å; V568-L572 HydrophobicContact CG1-CG 4.42Å; V568-L572 WeakPolarHBondContact O-CG 3.39Å; V568-L572 PolarHBondContact O-N 3.26Å |
| 569 | I | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -38.1 | 179.8 | -58.3 | -45.8 | 0 | 0 | 0 | 112.1 | M477 F544 L548 N565 N566 I567 I571 L572 I573 | M477-I569 HydrophobicContact SD-CD1 3.97Å; F544-I569 HydrophobicContact CB-CG2 4.03Å; L548-I569 HydrophobicContact CB-CD1 4.23Å; L548-I569 HydrophobicContact CD1-CD1 3.88Å; N565-I569 PolarHBondContact O-N 3.47Å; N566-I569 PolarHBondContact O-N 3.02Å; I567-I569 VanDerWaalsContact C-N 3.32Å; I567-I569 PolarHBondContact O-N 2.69Å; I569-I571 PolarHBondContact O-N 3.33Å; I569-L572 HydrophobicContact CD1-CD1 3.97Å; I569-L572 PolarHBondContact O-N 3.5Å; I569-I573 HydrophobicContact CG2-CD1 3.86Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 2.65Å; I569-I573 VanDerWaalsContact O-N 3.08Å |
| 570 | N | 96 | Very high | 94.2 | Very high | 23 Ų | 23 | 26.1 Ų | 26.1 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.2 | -48.9 | 172.5 | -61.7 | -23.4 | 0 | 0 | 0 | 111 | V537 F538 G541 N566 I567 V568 L572 I573 D574 | V537-N570 HydrophobicContact CG1-CB 4Å; V537-N570 PolarHBondContact O-OD1 2.97Å; F538-N570 WeakPolarHBondContact CA-OD1 3.32Å; G541-N570 WeakPolarHBondContact CA-OD1 3.35Å; N566-N570 PolarHBondContact O-N 3.39Å; N566-N570 PolarHBondContact O-ND2 2.89Å; N566-N570 PolarHBondContact O-OD1 3.44Å; I567-N570 PolarHBondContact O-N 2.87Å; V568-N570 PolarHBondContact O-N 2.95Å; N570-L572 VanDerWaalsContact C-N 3.32Å; N570-L572 PolarHBondContact O-N 3.03Å; N570-I573 PolarHBondContact O-N 2.81Å; N570-D574 WeakPolarHBondContact O-CB 3.45Å; N570-D574 PolarHBondContact O-N 3.12Å |
| 571 | I | 97 | Very high | 94.5 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 177.4 | -72.9 | 163.4 | 0 | 0 | 0 | 111.4 | R497 V498 V501 I567 V568 I569 I573 N575 I579 | R497-I571 HydrophobicContact CB-CD1 3.63Å; V498-I571 HydrophobicContact CG2-CG2 4.05Å; V501-I571 HydrophobicContact CB-CG2 4.08Å; V501-I571 HydrophobicContact CG1-CG2 3.98Å; V501-I571 HydrophobicContact CG2-CD1 4.4Å; V501-I571 HydrophobicContact CG2-CG2 4.3Å; I567-I571 HydrophobicContact CG2-CD1 3.79Å; I567-I571 HydrophobicContact CG2-CG1 4.44Å; I567-I571 WeakPolarHBondContact O-CG1 3.29Å; I567-I571 PolarHBondContact O-N 3.43Å; V568-I571 WeakPolarHBondContact O-CB 3.39Å; V568-I571 PolarHBondContact O-N 2.86Å; I569-I571 PolarHBondContact O-N 3.33Å; I571-I573 PolarHBondContact O-N 2.95Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.5Å; I571-N575 PolarHBondContact O-N 2.7Å; I571-N575 PolarHBondContact O-ND2 2.95Å; I571-I579 HydrophobicContact CG2-CD1 3.86Å |
| 572 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 179.3 | -68.8 | 179.4 | 0 | 0 | 0 | 112.4 | M477 V501 V505 L516 I520 V568 I569 N570 Y576 I579 F580 | M477-L572 HydrophobicContact CE-CD1 3.95Å; M477-L572 HydrophobicContact SD-CD1 4Å; V501-L572 HydrophobicContact CG1-CD2 3.65Å; V501-L572 HydrophobicContact CG1-CG 4.32Å; V505-L572 HydrophobicContact CG2-CD2 3.6Å; L516-L572 HydrophobicContact CD1-CD1 4.32Å; L516-L572 HydrophobicContact CD2-CD1 4.27Å; I520-L572 HydrophobicContact CD1-CB 3.84Å; I520-L572 HydrophobicContact CD1-CD1 3.94Å; I520-L572 HydrophobicContact CG1-CB 4.11Å; I520-L572 HydrophobicContact CG1-CD1 4.19Å; I520-L572 HydrophobicContact CG2-CB 4.03Å; I520-L572 VanDerWaalsContact CG2-O 3.26Å; I520-L572 WeakPolarHBondContact CG2-O 3.5Å; V568-L572 HydrophobicContact CG1-CD1 4.33Å; V568-L572 HydrophobicContact CG1-CG 4.42Å; V568-L572 WeakPolarHBondContact O-CG 3.39Å; V568-L572 PolarHBondContact O-N 3.26Å; I569-L572 HydrophobicContact CD1-CD1 3.97Å; I569-L572 PolarHBondContact O-N 3.5Å; N570-L572 VanDerWaalsContact C-N 3.32Å; N570-L572 PolarHBondContact O-N 3.03Å; L572-Y576 VanDerWaalsContact O-CA 3.23Å; L572-Y576 WeakPolarHBondContact O-CA 3.45Å; L572-Y576 PolarHBondContact O-N 3.06Å; L572-Y576 VanDerWaalsContact O-N 3.1Å; L572-I579 HydrophobicContact CD2-CD1 4.15Å; L572-I579 HydrophobicContact CD2-CG2 4.01Å; L572-F580 HydrophobicContact CB-CE2 4.48Å; L572-F580 HydrophobicContact CD2-CE2 4Å; L572-F580 HydrophobicContact CD2-CZ 4.06Å |
| 573 | I | 97.6 | Very high | 94.6 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.4 | -53.2 | 179.1 | -65 | 167.3 | 0 | 0 | 0 | 110.6 | I520 L523 V537 L540 I569 N570 I571 N575 Y576 | I520-I573 HydrophobicContact CD1-CG1 4.42Å; I520-I573 HydrophobicContact CG2-CG1 4.26Å; L523-I573 HydrophobicContact CB-CD1 3.82Å; L523-I573 HydrophobicContact CB-CG1 4.07Å; L523-I573 HydrophobicContact CD1-CD1 4.26Å; V537-I573 HydrophobicContact CB-CG2 4.46Å; V537-I573 HydrophobicContact CG1-CB 3.94Å; V537-I573 HydrophobicContact CG1-CD1 4.35Å; V537-I573 HydrophobicContact CG1-CG2 3.95Å; V537-I573 HydrophobicContact CG2-CG2 3.85Å; L540-I573 HydrophobicContact CB-CD1 4.06Å; L540-I573 HydrophobicContact CD1-CD1 4.43Å; I569-I573 HydrophobicContact CG2-CD1 3.86Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 2.65Å; I569-I573 VanDerWaalsContact O-N 3.08Å; N570-I573 PolarHBondContact O-N 2.81Å; I571-I573 PolarHBondContact O-N 2.95Å; I573-N575 PolarHBondContact O-N 2.95Å; I573-N575 VanDerWaalsContact O-N 3.15Å; I573-Y576 PolarHBondContact O-N 3.26Å |
| 574 | D | 96.7 | Very high | 94.2 | Very high | 109 Ų | 109 | 39 Ų | 39 | 58% | 0.583 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61 | -27 | -177.9 | -74.2 | -40.3 | 0 | 0 | 0 | 112.9 | N570 | N570-D574 WeakPolarHBondContact O-CB 3.45Å; N570-D574 PolarHBondContact O-N 3.12Å |
| 575 | N | 96.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 44 Ų | 44 | 19% | 0.187 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 19.3 | -177.1 | -59.5 | -101.5 | 0 | 0 | 0 | 112.9 | V498 I571 I573 E577 R578 I579 | V498-N575 HydrophobicContact CG1-CB 4.26Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.5Å; I571-N575 PolarHBondContact O-N 2.7Å; I571-N575 PolarHBondContact O-ND2 2.95Å; I573-N575 PolarHBondContact O-N 2.95Å; I573-N575 VanDerWaalsContact O-N 3.15Å; N575-E577 PolarHBondContact O-N 2.99Å; N575-R578 HydrophobicContact CB-CB 4.42Å; N575-R578 WeakPolarHBondContact O-CA 3.45Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.29Å; N575-I579 HydrophobicContact CB-CD1 3.72Å; N575-I579 HydrophobicContact CB-CG1 3.92Å; N575-I579 PolarHBondContact O-N 2.92Å |
| 576 | Y | 97.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 7% | 0.071 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -45.7 | -52.5 | -173.3 | 165.6 | -110.4 | 0 | 0 | 0 | 114 | D517 I520 C521 L572 I573 R578 I579 F580 K581 | D517-Y576 WeakPolarHBondContact OD1-CE2 3.36Å; I520-Y576 HydrophobicContact CB-CD2 4.38Å; I520-Y576 HydrophobicContact CG2-CD2 3.84Å; I520-Y576 HydrophobicContact CG2-CG 4.42Å; C521-Y576 HydrophobicContact CB-CE1 4.27Å; C521-Y576 HydrophobicContact CB-CE2 3.74Å; C521-Y576 VanDerWaalsContact CB-CZ 3.49Å; C521-Y576 WeakPolarHBondContact CB-OH 3.5Å; C521-Y576 PolarHBondContact SG-OH 2.85Å; L572-Y576 VanDerWaalsContact O-CA 3.23Å; L572-Y576 WeakPolarHBondContact O-CA 3.45Å; L572-Y576 PolarHBondContact O-N 3.06Å; L572-Y576 VanDerWaalsContact O-N 3.1Å; I573-Y576 PolarHBondContact O-N 3.26Å; Y576-R578 VanDerWaalsContact C-N 3.33Å; Y576-R578 PolarHBondContact O-N 3.3Å; Y576-I579 PolarHBondContact O-N 3.17Å; Y576-F580 HydrophobicContact CD2-CB 4.25Å; Y576-F580 AromaticContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CE2 4.29Å; Y576-F580 HydrophobicContact CD2-CG 4.14Å; Y576-F580 HydrophobicContact CE2-CB 4.14Å; Y576-F580 HydrophobicContact CE2-CD2 4.16Å; Y576-F580 HydrophobicContact CE2-CG 4.25Å; Y576-F580 PolarHBondContact O-N 3.11Å; Y576-K581 VanDerWaalsContact CZ-CE 3.42Å; Y576-K581 WeakPolarHBondContact OH-CE 3.14Å; Y576-K581 PolarHBondContact OH-NZ 2.85Å |
| 577 | E | 94.9 | Very high | 88.9 | Confident | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | -179.7 | -54 | -61 | 166.1 | 0 | 0 | 112.7 | R528 N575 K581 N582 | R528-E577 IonicContact NH2-OE1 2.81Å; N575-E577 PolarHBondContact O-N 2.99Å; E577-K581 WeakPolarHBondContact O-CB 3.49Å; E577-K581 PolarHBondContact O-N 3.29Å; E577-N582 PolarHBondContact O-ND2 2.65Å |
| 578 | R | 93.8 | Very high | 86.2 | Confident | 89 Ų | 89 | 60 Ų | 60 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 176.8 | 175.3 | 178.8 | 174.2 | 176.3 | -1.5 | 111.1 | V498 N499 H502 N575 Y576 | V498-R578 VanDerWaalsContact CG1-CZ 3.49Å; N499-R578 PolarHBondContact OD1-NH2 3.03Å; H502-R578 PolarHBondContact CE1-O 3.42Å; H502-R578 VanDerWaalsContact CE1-O 3.23Å; H502-R578 PolarHBondContact NE2-O 3.37Å; N575-R578 HydrophobicContact CB-CB 4.42Å; N575-R578 WeakPolarHBondContact O-CA 3.45Å; N575-R578 WeakPolarHBondContact O-CB 3.47Å; N575-R578 PolarHBondContact O-N 3.29Å; Y576-R578 VanDerWaalsContact C-N 3.33Å; Y576-R578 PolarHBondContact O-N 3.3Å |
| 579 | I | 95.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.8 | -38.9 | -171.8 | -68.6 | 179.9 | 0 | 0 | 0 | 112.4 | V501 H502 V505 Y506 I571 L572 N575 Y576 | V501-I579 HydrophobicContact CG1-CD1 4.33Å; H502-I579 HydrophobicContact CB-CG1 4.18Å; H502-I579 PolarHBondContact CD2-O 2.88Å; H502-I579 PolarHBondContact NE2-O 3.44Å; V505-I579 HydrophobicContact CB-CG2 4.15Å; V505-I579 HydrophobicContact CG1-CG2 4.15Å; V505-I579 HydrophobicContact CG2-CG2 3.98Å; Y506-I579 VanDerWaalsContact CE2-O 3.26Å; Y506-I579 WeakPolarHBondContact CE2-O 3.39Å; I571-I579 HydrophobicContact CG2-CD1 3.86Å; L572-I579 HydrophobicContact CD2-CD1 4.15Å; L572-I579 HydrophobicContact CD2-CG2 4.01Å; N575-I579 HydrophobicContact CB-CD1 3.72Å; N575-I579 HydrophobicContact CB-CG1 3.92Å; N575-I579 PolarHBondContact O-N 2.92Å; Y576-I579 PolarHBondContact O-N 3.17Å |
| 580 | F | 95.7 | Very high | 80.2 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 4% | 0.035 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -102.9 | -25.8 | -172.1 | -69.2 | -88.5 | 0 | 0 | 0 | 114.7 | V505 Y506 F513 L516 D517 I520 L572 Y576 | V505-F580 HydrophobicContact CG1-CD1 4.22Å; V505-F580 HydrophobicContact CG1-CE1 3.71Å; V505-F580 HydrophobicContact CG1-CZ 4.07Å; Y506-F580 PolarHBondContact OH-O 3.48Å; F513-F580 HydrophobicContact CE2-CD1 4.22Å; F513-F580 HydrophobicContact CZ-CD1 4.11Å; L516-F580 HydrophobicContact CB-CE1 4.34Å; L516-F580 HydrophobicContact CD2-CE1 4.12Å; L516-F580 HydrophobicContact CD2-CZ 3.93Å; L516-F580 HydrophobicContact CG-CE1 4.04Å; L516-F580 HydrophobicContact CG-CZ 3.87Å; D517-F580 HydrophobicContact CB-CD1 3.69Å; D517-F580 HydrophobicContact CB-CE1 4.16Å; D517-F580 HydrophobicContact CB-CG 4.46Å; D517-F580 WeakPolarHBondContact OD1-CB 3.21Å; D517-F580 WeakPolarHBondContact OD1-CG 3.39Å; I520-F580 HydrophobicContact CB-CE2 4.08Å; I520-F580 HydrophobicContact CB-CZ 4.25Å; I520-F580 HydrophobicContact CG1-CE2 4.24Å; I520-F580 HydrophobicContact CG1-CZ 4.05Å; I520-F580 HydrophobicContact CG2-CE2 3.88Å; L572-F580 HydrophobicContact CB-CE2 4.48Å; L572-F580 HydrophobicContact CD2-CE2 4Å; L572-F580 HydrophobicContact CD2-CZ 4.06Å; Y576-F580 HydrophobicContact CD2-CB 4.25Å; Y576-F580 AromaticContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CD2 3.6Å; Y576-F580 HydrophobicContact CD2-CE2 4.29Å; Y576-F580 HydrophobicContact CD2-CG 4.14Å; Y576-F580 HydrophobicContact CE2-CB 4.14Å; Y576-F580 HydrophobicContact CE2-CD2 4.16Å; Y576-F580 HydrophobicContact CE2-CG 4.25Å; Y576-F580 PolarHBondContact O-N 3.11Å |
| 581 | K | 92.1 | Very high | 77.4 | Confident | 92 Ų | 92 | 81 Ų | 81 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -98.9 | -12.6 | -176.9 | -45.9 | -50.9 | 173.9 | -158.7 | 0 | 113.8 | D517 Y576 E577 | D517-K581 IonicContact OD1-NZ 3.71Å; D517-K581 PolarHBondContact OD1-NZ 3.16Å; D517-K581 IonicContact OD2-NZ 2.76Å; D517-K581 PolarHBondContact OD2-NZ 3.26Å; Y576-K581 VanDerWaalsContact CZ-CE 3.42Å; Y576-K581 WeakPolarHBondContact OH-CE 3.14Å; Y576-K581 PolarHBondContact OH-NZ 2.85Å; E577-K581 WeakPolarHBondContact O-CB 3.49Å; E577-K581 PolarHBondContact O-N 3.29Å |
| 582 | N | 90.9 | Very high | 74.4 | Confident | 94 Ų | 94 | 88.5 Ų | 88.5 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -120.9 | 139.1 | 179 | -62.7 | -84.6 | 0 | 0 | 0 | 110.5 | H502 Y506 E577 | H502-N582 PolarHBondContact CE1-O 2.81Å; H502-N582 PolarHBondContact NE2-O 3.09Å; Y506-N582 VanDerWaalsContact CE2-O 3.29Å; Y506-N582 WeakPolarHBondContact CE2-O 3.22Å; Y506-N582 PolarHBondContact OH-O 2.86Å; E577-N582 PolarHBondContact O-ND2 2.65Å |
| 583 | K | 86.6 | Confident | 71.3 | Confident | 173 Ų | 173 | 92 Ų | 92 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 149.2 | 172.9 | -69 | -177 | 178.6 | -179.8 | 0 | 110.7 | Y506 S585 | Y506-K583 HydrophobicContact CE1-CG 4.33Å; K583-S585 PolarHBondContact O-N 2.8Å |
| 584 | P | 82.4 | Confident | 68.4 | Low | 37 Ų | 37 | 98 Ų | 98 | 24% | 0.24 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 135.1 | 174 | -15.8 | 30.7 | 0 | 0 | 0 | 109.4 | K503 Y506 A586 | K503-P584 HydrophobicContact CG-CB 4.19Å; Y506-P584 HydrophobicContact CD2-CG 3.48Å; Y506-P584 VanDerWaalsContact CD2-CG 3.48Å; Y506-P584 HydrophobicContact CE2-CG 4.17Å; Y506-P584 HydrophobicContact CG-CG 3.86Å; P584-A586 PolarHBondContact O-N 3.27Å |
| 585 | S | 71.7 | Confident | 65.7 | Low | 110 Ų | 110 | 102.4 Ų | 102.4 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 122 | 174.4 | -62.8 | 0 | 0 | 0 | 0 | 109.4 | K583 | K583-S585 PolarHBondContact O-N 2.8Š|
| 586 | A | 52.7 | Low | 62.8 | Low | 87 Ų | 87 | 105.6 Ų | 105.6 | 72% | 0.719 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 150.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | P584 I588 | P584-A586 PolarHBondContact O-N 3.27Å; A586-I588 PolarHBondContact O-N 3.47Å |
| 587 | D | 42.2 | Very low | 59.9 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | trans | -58.5 | 99.6 | -164.7 | -63.6 | -52.8 | 0 | 0 | 0 | 114.1 | K503 K589 | K503-D587 IonicContact NZ-OD1 3.87Å; K503-D587 PolarHBondContact NZ-OD1 3.19Å; D587-K589 PolarHBondContact O-N 3.01Å | ||
| 588 | I | 39.1 | Very low | 56.9 | Low | 150 Ų | 150 | 111.4 Ų | 111.4 | 77% | 0.769 | 63% | 0.629 | S | S | * | * | trans | -84.7 | 101 | 159.5 | -60.7 | 179.6 | 0 | 0 | 0 | 107.3 | A586 | A586-I588 PolarHBondContact O-N 3.47Š| ||
| 589 | K | 36.6 | Very low | 54.5 | Low | 184 Ų | 184 | 114.1 Ų | 114.1 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.5 | 167.5 | -61.6 | 174.9 | -178.4 | 175.5 | 0 | 108.8 | D587 P591 | D587-K589 PolarHBondContact O-N 3.01Å; K589-P591 VanDerWaalsContact O-CD 3.26Å; K589-P591 WeakPolarHBondContact O-CD 3.41Å |
| 590 | L | 31.9 | Very low | 51.5 | Low | 169 Ų | 169 | 122.2 Ų | 122.2 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 121.4 | 179.8 | -91.5 | 67.5 | 0 | 0 | 0 | 111.6 | ||
| 591 | P | 37 | Very low | 48.8 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 147 | 154.4 | -9.3 | 27.8 | 0 | 0 | 0 | 109.5 | K589 | K589-P591 VanDerWaalsContact O-CD 3.26Å; K589-P591 WeakPolarHBondContact O-CD 3.41Å |
| 592 | D | 32.3 | Very low | 46.1 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 179.5 | 172.5 | -162.2 | -0.1 | 0 | 0 | 0 | 111.1 | ||||
| 593 | A | 34.6 | Very low | 43.4 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | trans | 76.3 | 94.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | K595 | A593-K595 PolarHBondContact O-N 2.87Š| ||
| 594 | T | 35.1 | Very low | 40.9 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 19.9 | 99.5 | 122.5 | 58.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 595 | K | 40.4 | Very low | 38.7 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 173.8 | 106.3 | 137.6 | -96.2 | 155.1 | -174.9 | 177.5 | 0 | 112.1 | A593 | A593-K595 PolarHBondContact O-N 2.87Š| ||
| 596 | A | 35.5 | Very low | 37 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 31.1 | 160.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 597 | P | 36.6 | Very low | 36.2 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | cis | -121.5 | 170.2 | -18.7 | 37.3 | -22 | 0 | 0 | 0 | 113.3 | ||||
| 598 | S | 32.9 | Very low | 35.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -80.5 | 138.1 | -174.4 | -43.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 599 | I | 42 | Very low | 35.4 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -116.2 | 126.7 | 157 | -63.9 | 178.3 | 0 | 0 | 0 | 107.3 | Y601 | I599-Y601 HydrophobicContact CG2-CE2 4.16Š| ||
| 600 | M | 33.8 | Very low | 35.3 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 84% | 0.837 | 77% | 0.768 | S | S | * | * | trans | -101.2 | 133.2 | -172.8 | -64.3 | 178.7 | 68.3 | 0 | 0 | 112.1 | ||||
| 601 | Y | 38 | Very low | 35.4 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -119.3 | 125.7 | 162.2 | -66.6 | -81.5 | 0 | 0 | 0 | 108.7 | I599 S603 | I599-Y601 HydrophobicContact CG2-CE2 4.16Å; Y601-S603 PolarHBondContact O-N 3.41Å | ||
| 602 | P | 35.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -79.8 | 119.8 | -171.1 | 30 | -34 | 0 | 0 | 0 | 112.3 | R604 | P602-R604 PolarHBondContact O-N 3.27Š| ||
| 603 | S | 35.2 | Very low | 35.6 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -80 | 115.1 | 174.4 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | Y601 S605 | Y601-S603 PolarHBondContact O-N 3.41Å; S603-S605 PolarHBondContact O-N 3.48Å | ||
| 604 | R | 33.1 | Very low | 35.6 | Very low | 250 Ų | 250 | 141.8 Ų | 141.8 | 94% | 0.943 | 77% | 0.769 | S | S | * | * | trans | -85.4 | 87.6 | 177.1 | -79.9 | -172.7 | 167.4 | -153.3 | -1.7 | 111.8 | P602 | P602-R604 PolarHBondContact O-N 3.27Š| ||
| 605 | S | 36.1 | Very low | 35.6 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -149.5 | 39.5 | 166.9 | 67.5 | 0 | 0 | 0 | 0 | 113 | S603 | S603-S605 PolarHBondContact O-N 3.48Š|
| 606 | S | 35.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -158.8 | 149.3 | 171.1 | -67 | 0 | 0 | 0 | 0 | 109.2 | ||
| 607 | P | 35.5 | Very low | 35.5 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 43% | 0.429 | 77% | 0.765 | S | S | . | * | trans | -56.8 | 145.4 | 160.7 | -19 | 32.1 | 0 | 0 | 0 | 109.6 | T609 | P607-T609 PolarHBondContact O-N 2.92Š| ||
| 608 | P | 31.2 | Very low | 35.4 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | trans | -67.8 | 106 | 178.9 | 28.4 | -33.2 | 0 | 0 | 0 | 109.4 | R610 | P608-R610 PolarHBondContact O-N 3.01Š| ||
| 609 | T | 34.8 | Very low | 35.4 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | trans | -55.3 | 108.9 | 172.3 | -50.1 | 0 | 0 | 0 | 0 | 108.8 | P607 M611 | P607-T609 PolarHBondContact O-N 2.92Å; T609-M611 PolarHBondContact O-N 2.98Å; T609-M611 VanDerWaalsContact O-N 3.08Å | ||
| 610 | R | 33.5 | Very low | 35 | Very low | 202 Ų | 202 | 142.4 Ų | 142.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 117.8 | 173.3 | -165.5 | -175.4 | -160.7 | -172.2 | 9.3 | 107.1 | P608 | P608-R610 PolarHBondContact O-N 3.01Š|
| 611 | M | 35.5 | Very low | 35 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.9 | -172.3 | -71.6 | -169.7 | 72.8 | 0 | 0 | 110 | T609 R613 | T609-M611 PolarHBondContact O-N 2.98Å; T609-M611 VanDerWaalsContact O-N 3.08Å; M611-R613 PolarHBondContact O-N 3.24Å |
| 612 | P | 37.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.4 | 165.7 | -24.1 | 33.6 | 0 | 0 | 0 | 108.8 | A614 | P612-A614 PolarHBondContact O-N 2.94Š|
| 613 | R | 34.4 | Very low | 34.4 | Very low | 253 Ų | 253 | 134.7 Ų | 134.7 | 96% | 0.955 | 77% | 0.766 | S | S | * | * | trans | -70.7 | 81.2 | -175.3 | -167.2 | 177.7 | -169.1 | 162.1 | 3.6 | 110.1 | M611 S615 | M611-R613 PolarHBondContact O-N 3.24Å; R613-S615 PolarHBondContact O-N 3.1Å | ||
| 614 | A | 34.8 | Very low | 34.2 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | trans | -61.8 | 119.7 | -160.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P612 Q616 | P612-A614 PolarHBondContact O-N 2.94Å; A614-Q616 PolarHBondContact O-N 2.91Å | ||
| 615 | S | 36.2 | Very low | 34.2 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 112 | 162.4 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | R613 I617 | R613-S615 PolarHBondContact O-N 3.1Å; S615-I617 PolarHBondContact O-N 3.29Å | ||
| 616 | Q | 37 | Very low | 34.1 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -75.7 | 114.6 | 179.9 | -64.7 | -175 | 2.4 | 0 | 0 | 111 | A614 | A614-Q616 PolarHBondContact O-N 2.91Š| ||
| 617 | I | 36.2 | Very low | 34 | Very low | 156 Ų | 156 | 129 Ų | 129 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -99.6 | 94.7 | 172.4 | -60.4 | 179.2 | 0 | 0 | 0 | 108.8 | S615 | S615-I617 PolarHBondContact O-N 3.29Š| ||
| 618 | G | 34.5 | Very low | 34 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -82.3 | 133.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 619 | K | 32.2 | Very low | 34.1 | Very low | 206 Ų | 206 | 131.2 Ų | 131.2 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -98.4 | 108.8 | 176.8 | -73.3 | -179.5 | 177.6 | 176.6 | 0 | 112 | ||||
| 620 | A | 34.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -167.4 | 153.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 621 | A | 33.5 | Very low | 34 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | cis | -179.9 | 116.3 | -24.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 622 | S | 30.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | trans | 59.3 | 139.8 | 157.8 | 58.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 623 | T | 32 | Very low | 33.6 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 66.3 | 136.9 | 163.7 | 63.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 624 | G | 30.4 | Very low | 33.6 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 170.8 | 152 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 625 | A | 33.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 62 | 133.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 626 | M | 33.2 | Very low | 33.4 | Very low | 194 Ų | 194 | 123.9 Ų | 123.9 | 96% | 0.956 | 81% | 0.813 | S | S | * | * | cis | 68 | 124.5 | 46.1 | -58.2 | -178.4 | 94.5 | 0 | 0 | 113.9 | ||||
| 627 | G | 33.4 | Very low | 33.3 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 160.3 | 164.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 628 | S | 36 | Very low | 33.3 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | 64.3 | 164.4 | 164.8 | -79.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 629 | S | 34 | Very low | 33.3 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | cis | -175 | 133 | -30 | -89.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 630 | S | 34.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -161.8 | 138 | 157.6 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 631 | N | 31.4 | Very low | 33.2 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -74.2 | 147.5 | -177.5 | -54.2 | -38 | 0 | 0 | 0 | 112.9 | ||||
| 632 | T | 34 | Very low | 33.2 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -151.5 | 148.2 | 138.4 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 633 | A | 30.2 | Very low | 33.2 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -80.3 | 145.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 634 | G | 33.4 | Very low | 33 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 165.4 | 111.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 635 | N | 31.1 | Very low | 32.9 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | -80.5 | 125.1 | 162.1 | -100 | -1.8 | 0 | 0 | 0 | 108.7 | ||||
| 636 | P | 36.8 | Very low | 32.6 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | -123.8 | 127.6 | 119.2 | 34.2 | -28.3 | 0 | 0 | 0 | 108.9 | |||||
| 637 | M | 33.9 | Very low | 32.4 | Very low | 159 Ų | 159 | 143 Ų | 143 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 66.7 | 121.6 | 64.3 | -147.4 | -172.8 | -163.5 | 0 | 0 | 113.5 | |||||
| 638 | F | 37.4 | Very low | 32.1 | Very low | 171 Ų | 171 | 145 Ų | 145 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | 82.2 | 127.6 | 166.8 | -86.6 | -67.6 | 0 | 0 | 0 | 122.9 | ||||
| 639 | L | 33.5 | Very low | 31.9 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 77 | 105.7 | 139.1 | -151.2 | 75.1 | 0 | 0 | 0 | 119.8 | Q641 | L639-Q641 HydrophobicContact CD2-CG 4.46Å; L639-Q641 HydrophobicContact CG-CG 4.36Å | ||
| 640 | N | 31.9 | Very low | 31.8 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | -128.3 | 150.4 | 129 | -153.2 | -13.3 | 0 | 0 | 0 | 109.4 | |||||
| 641 | Q | 31.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120.2 | -151.4 | -63.5 | 172 | -10.4 | 0 | 0 | 114 | L639 | L639-Q641 HydrophobicContact CD2-CG 4.46Å; L639-Q641 HydrophobicContact CG-CG 4.36Å |
| 642 | Q | 34 | Very low | 31.7 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 129.3 | 154.4 | -78.4 | -174.4 | -22.4 | 0 | 0 | 109.6 | I644 | Q642-I644 PolarHBondContact O-N 3.33Š|
| 643 | K | 30.9 | Very low | 31.3 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 123.7 | 170.9 | -76.8 | -179.8 | 175.7 | 176.2 | 0 | 109.6 | Y645 | K643-Y645 WeakPolarHBondContact O-CD2 3.4Å; K643-Y645 PolarHBondContact O-N 3.02Å; K643-Y645 VanDerWaalsContact O-N 3.07Å |
| 644 | I | 28.4 | Very low | 31.6 | Very low | 159 Ų | 159 | 146.1 Ų | 146.1 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | trans | -65.6 | 106.8 | 175 | -61.2 | 166.5 | 0 | 0 | 0 | 109 | Q642 R646 | Q642-I644 PolarHBondContact O-N 3.33Å; I644-R646 PolarHBondContact O-N 2.84Å | ||
| 645 | Y | 28.1 | Very low | 31.4 | Very low | 208 Ų | 208 | 151.4 Ų | 151.4 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | trans | -74.4 | 90.2 | 168.5 | -83.6 | -89.9 | 0 | 0 | 0 | 109.6 | K643 V647 | K643-Y645 WeakPolarHBondContact O-CD2 3.4Å; K643-Y645 PolarHBondContact O-N 3.02Å; K643-Y645 VanDerWaalsContact O-N 3.07Å; Y645-V647 VanDerWaalsContact C-N 3.35Å; Y645-V647 PolarHBondContact O-N 3.38Å | ||
| 646 | R | 26.8 | Very low | 31.6 | Very low | 218 Ų | 218 | 148.3 Ų | 148.3 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | -76.2 | 82.9 | 178.8 | -159 | -175.7 | -157.3 | -175.3 | 7.5 | 110.2 | I644 V648 | I644-R646 PolarHBondContact O-N 2.84Å; R646-V648 HydrophobicContact CG-CG2 4.14Å; R646-V648 PolarHBondContact O-N 3.37Å | ||
| 647 | V | 28.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -67.9 | 100.3 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | Y645 S649 | Y645-V647 VanDerWaalsContact C-N 3.35Å; Y645-V647 PolarHBondContact O-N 3.38Å; V647-S649 PolarHBondContact O-N 2.97Å; V647-S649 VanDerWaalsContact O-N 3.16Å | ||
| 648 | V | 26.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -86.5 | 77.9 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | R646 K650 | R646-V648 HydrophobicContact CG-CG2 4.14Å; R646-V648 PolarHBondContact O-N 3.37Å; V648-K650 PolarHBondContact O-N 3.36Å | ||
| 649 | S | 32.9 | Very low | 30.9 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | -71.9 | 106.7 | 165.8 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | V647 T651 | V647-S649 PolarHBondContact O-N 2.97Å; V647-S649 VanDerWaalsContact O-N 3.16Å; S649-T651 PolarHBondContact O-N 2.9Å | ||
| 650 | K | 31 | Very low | 30.6 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 107.3 | 170.5 | -85.2 | -172.9 | 173.5 | -178.1 | 0 | 109.6 | V648 | V648-K650 PolarHBondContact O-N 3.36Š| ||
| 651 | T | 30.6 | Very low | 30.6 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -81.9 | 129.7 | 174.3 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | S649 | S649-T651 PolarHBondContact O-N 2.9Š| ||
| 652 | N | 33.2 | Very low | 30.4 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | -136.6 | 110.4 | 136.6 | -81.1 | -29 | 0 | 0 | 0 | 103.5 | ||||
| 653 | C | 25.8 | Very low | 30.3 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | 62.6 | 122.3 | 75.5 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 654 | T | 36.1 | Very low | 30.5 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | cis | -148.4 | 138 | 27.8 | 47.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 655 | E | 30.2 | Very low | 30.9 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 54 | 160.8 | 132.6 | -61.9 | -165.2 | 128.6 | 0 | 0 | 123 | ||||
| 656 | P | 34.7 | Very low | 31.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | cis | -138.5 | -174 | -44.1 | 39.2 | -22.9 | 0 | 0 | 0 | 113.4 | ||||
| 657 | T | 34.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | 123.4 | 138.7 | 150.4 | -45.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 658 | M | 29.5 | Very low | 31.7 | Very low | 179 Ų | 179 | 135 Ų | 135 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -84.9 | 178.7 | 178.4 | -54.9 | -102.6 | 169.1 | 0 | 0 | 109.9 | ||||
| 659 | S | 28.8 | Very low | 31.9 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | cis | -162.7 | 164.5 | 13 | -159.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 660 | S | 29.1 | Very low | 32 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 13.5 | 129.4 | 147.3 | 57.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 661 | S | 30.7 | Very low | 32 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -138 | 74.7 | 162.5 | -74.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 662 | L | 28.8 | Very low | 32.2 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -140.9 | 144.4 | 152.5 | -82.5 | 180 | 0 | 0 | 0 | 107.5 | ||||
| 663 | Q | 31.4 | Very low | 32.1 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 68.2 | 105.4 | -178.4 | -55 | 172.2 | -19.2 | 0 | 0 | 115.9 | ||||
| 664 | N | 34 | Very low | 32.5 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | -165.3 | 145.9 | 115.8 | -97.6 | -32.2 | 0 | 0 | 0 | 111.8 | |||||
| 665 | I | 36.3 | Very low | 32.2 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | trans | -112.1 | 134.2 | 171.7 | -64.2 | 174 | 0 | 0 | 0 | 106.5 | ||||
| 666 | P | 33.3 | Very low | 32.4 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -75.6 | 133.4 | -176.5 | 30.2 | -34.7 | 0 | 0 | 0 | 112.1 | ||||
| 667 | N | 33.1 | Very low | 32.3 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -129.3 | 124.9 | 156 | -91.9 | -23.1 | 0 | 0 | 0 | 107.1 | ||||
| 668 | G | 34.6 | Very low | 32.3 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -108.3 | 149.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 669 | D | 31.4 | Very low | 32.5 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 150.2 | -171 | -58.8 | -83.4 | 0 | 0 | 0 | 114.7 | ||||
| 670 | N | 34.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -146.7 | 157.4 | 144.4 | -136.5 | -31.2 | 0 | 0 | 0 | 111.6 | ||||
| 671 | Y | 31.9 | Very low | 32.8 | Very low | 209 Ų | 209 | 137.5 Ų | 137.5 | 82% | 0.82 | 81% | 0.812 | S | S | * | * | trans | -90.4 | 160.8 | -155.5 | -69.7 | -103.2 | 0 | 0 | 0 | 115.5 | ||||
| 672 | A | 35.3 | Very low | 32.7 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | 118.3 | 135 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 673 | L | 31.7 | Very low | 32.9 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 94% | 0.937 | 81% | 0.808 | S | S | * | * | trans | -3.7 | 140.7 | 161.3 | -76 | 60.8 | 0 | 0 | 0 | 120.5 | ||||
| 674 | G | 32.4 | Very low | 32.9 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 174.6 | 108.5 | 156 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 675 | S | 31.3 | Very low | 32.9 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -98.2 | 166.5 | -176.8 | -51.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 676 | N | 33.4 | Very low | 32.4 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 81.5 | 91.7 | 155.5 | -56.4 | -17.8 | 0 | 0 | 0 | 120.4 | ||||
| 677 | A | 32.5 | Very low | 32.5 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | 55.4 | 149.8 | 104.5 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 678 | M | 34.6 | Very low | 32.3 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 99.6 | 125.8 | 153.1 | -52 | -158.2 | 79.6 | 0 | 0 | 121.2 | ||||
| 679 | N | 33 | Very low | 32.2 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | trans | 67.8 | 101.8 | 134.5 | -73.4 | 18.3 | 0 | 0 | 0 | 124.3 | ||||
| 680 | S | 31.4 | Very low | 32.1 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | 58 | 120.6 | 111.5 | 72.1 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 681 | S | 32.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 63.1 | 130.4 | 129.1 | 67.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 682 | G | 30.3 | Very low | 32.3 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 143 | 141.4 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 683 | G | 31.7 | Very low | 32.1 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 86.9 | 132.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 684 | A | 32.3 | Very low | 32.1 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | 63 | 133.3 | 19.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 685 | Q | 32.6 | Very low | 31.8 | Very low | 181 Ų | 181 | 127.9 Ų | 127.9 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | cis | -138.8 | -171.9 | 22.6 | -64.4 | 177 | -4 | 0 | 0 | 114 | ||||
| 686 | C | 27.5 | Very low | 31.6 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -13.9 | 162.3 | 152.4 | -54.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 687 | I | 34.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | cis | -152.5 | 164.7 | 42.5 | -19.6 | 178.2 | 0 | 0 | 0 | 113.3 | ||||
| 688 | S | 28.7 | Very low | 31.1 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -62.6 | 156.1 | 176.8 | 55.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 689 | L | 32.2 | Very low | 31 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | -173 | 166.3 | 109.8 | -99.6 | 158.1 | 0 | 0 | 0 | 113.8 | |||||
| 690 | S | 30.9 | Very low | 31 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 160.5 | -169.4 | -52.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 691 | P | 32.5 | Very low | 30.8 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 143.1 | -172.8 | 32.7 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 692 | P | 36.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 134.7 | 168.9 | 34.9 | -30.2 | 0 | 0 | 0 | 112.8 | ||
| 693 | M | 30.2 | Very low | 30.8 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -94.7 | 98.2 | 163.4 | -86.7 | -82.6 | -79.4 | 0 | 0 | 109.7 | ||||
| 694 | H | 32.3 | Very low | 30.6 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -137.4 | 121.5 | 165.2 | -91.4 | -104.1 | 0 | 0 | 0 | 107.4 | ||||
| 695 | M | 27.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | 85.9 | 128.2 | 60 | -82.4 | -71.2 | -166.9 | 0 | 0 | 114.1 | |||||
| 696 | L | 26.9 | Very low | 30 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 78 | 122.4 | 155.7 | -67.5 | 159.3 | 0 | 0 | 0 | 120.8 | ||||
| 697 | N | 26.4 | Very low | 30.2 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 66 | 104 | 136.5 | -63.9 | -3.4 | 0 | 0 | 0 | 121.4 | ||||
| 698 | G | 29 | Very low | 29.9 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 165.8 | 150.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 699 | I | 31 | Very low | 29.8 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | cis | -162.6 | 149 | -22.3 | -137 | 158.6 | 0 | 0 | 0 | 109.2 | ||||
| 700 | L | 33.7 | Very low | 29.5 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 66.4 | 145.8 | 167.3 | -66.8 | 168.9 | 0 | 0 | 0 | 121.3 | ||||
| 701 | S | 26.3 | Very low | 29.3 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 176.9 | 166.7 | -44.4 | 0 | 0 | 0 | 0 | 110.3 | T703 | S701-T703 WeakPolarHBondContact CB-OG1 3.44Š| ||
| 702 | P | 34.3 | Very low | 29.3 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -135 | 161.8 | 83.3 | 32.1 | -16.3 | 0 | 0 | 0 | 113.9 | |||||
| 703 | T | 29 | Very low | 29 | Very low | 100 Ų | 100 | 138 Ų | 138 | 61% | 0.613 | 78% | 0.776 | S | S | * | * | cis | 96.7 | 96.9 | 11.3 | -52.6 | 0 | 0 | 0 | 0 | 116.6 | S701 | S701-T703 WeakPolarHBondContact CB-OG1 3.44Š| ||
| 704 | I | 27.7 | Very low | 29.1 | Very low | 171 Ų | 171 | 133.5 Ų | 133.5 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 144.9 | 143.4 | -60.2 | 172.2 | 0 | 0 | 0 | 119.9 | ||||
| 705 | G | 27.8 | Very low | 28.9 | Very low | 65 Ų | 65 | 133.7 Ų | 133.7 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | 110 | 119 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 706 | S | 25.8 | Very low | 29 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | cis | 52.8 | 104.6 | 38 | -72.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 707 | I | 30.1 | Very low | 29.1 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | trans | -172.4 | 125.4 | 131.4 | -96.2 | 151.7 | 0 | 0 | 0 | 109.3 | ||||
| 708 | N | 29.3 | Very low | 29.3 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -84.8 | 122.4 | 150.6 | -73.6 | -21.9 | 0 | 0 | 0 | 106.1 | ||||
| 709 | N | 27.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 170.8 | 122.4 | 141.1 | -89.4 | -21.4 | 0 | 0 | 0 | 114.8 | ||||
| 710 | L | 25.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 42.1 | 123.6 | 122.3 | -84.3 | 59.1 | 0 | 0 | 0 | 122.2 | |||||
| 711 | H | 27 | Very low | 28.9 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | 86.1 | 107.7 | 126.7 | -83 | -51.8 | 0 | 0 | 0 | 124.1 | |||||
| 712 | T | 31.6 | Very low | 29 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | 87.9 | 161.3 | 121.6 | -48.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 713 | I | 30.1 | Very low | 28.7 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 80% | 0.795 | 73% | 0.734 | S | S | * | * | trans | 85.4 | 123.1 | 175.7 | -53.6 | 176.5 | 0 | 0 | 0 | 112.5 | ||||
| 714 | S | 32.3 | Very low | 29.2 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | cis | -150.6 | 142.8 | 2.1 | -133.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 715 | K | 29.2 | Very low | 29.9 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | trans | 44.8 | 130.5 | 130.3 | -68.3 | -174.3 | -179.4 | -174.4 | 0 | 123 | ||||
| 716 | N | 28.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 58% | 0.583 | 73% | 0.73 | S | S | * | * | 81.2 | 127.5 | 126.3 | -75.2 | 35.7 | 0 | 0 | 0 | 122 | |||||
| 717 | E | 30 | Very low | 30.4 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 72% | 0.721 | S | S | * | * | 69.2 | 148.7 | 129.3 | -66.6 | 164.8 | 160.4 | 0 | 0 | 118.2 | |||||
| 718 | T | 29.3 | Very low | 30.5 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | cis | -157.8 | 158.3 | -7.8 | 19 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 719 | S | 28.4 | Very low | 30.8 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | cis | 174 | -175.3 | -4.1 | -177.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 720 | T | 30 | Very low | 30.9 | Very low | 101 Ų | 101 | 137 Ų | 137 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | 61.3 | 113.5 | 153.3 | 44.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 721 | R | 28.4 | Very low | 31.7 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 75% | 0.751 | 72% | 0.718 | S | S | * | * | 73.7 | 152.8 | 123.8 | -72.5 | 172.4 | 162.4 | 169 | -5 | 118.6 | |||||
| 722 | R | 28.5 | Very low | 32.1 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 73% | 0.732 | 72% | 0.72 | S | S | * | * | cis | -138.1 | 149.5 | 0.2 | -103.4 | 134.6 | -177.6 | 165.3 | -3.9 | 107.6 | ||||
| 723 | Y | 26.8 | Very low | 32 | Very low | 204 Ų | 204 | 140 Ų | 140 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | 48.3 | 110.4 | 85.5 | -96.2 | -106.6 | 0 | 0 | 0 | 113 | |||||
| 724 | V | 40.6 | Very low | 32 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | 62.4 | 139.1 | 73.9 | 174.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 725 | P | 41.2 | Very low | 31.8 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | cis | -102.8 | -148.5 | -0.6 | 15.7 | 9.6 | 0 | 0 | 0 | 110.9 | ||||
| 726 | D | 31.9 | Very low | 31.8 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | cis | -164 | 171.9 | 31.9 | -79.3 | -62.1 | 0 | 0 | 0 | 107.6 | ||||
| 727 | T | 33.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 137 Ų | 137 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -171 | 169.4 | -17 | 39 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 728 | E | 30.6 | Very low | 31.9 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | -161.4 | 178.3 | -7.4 | -124.7 | 171.1 | 177.2 | 0 | 0 | 111.3 | ||||
| 729 | I | 35.5 | Very low | 32.1 | Very low | 144 Ų | 144 | 134 Ų | 134 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 52.5 | 92.7 | 153.3 | -62.3 | 156.8 | 0 | 0 | 0 | 116.1 | ||||
| 730 | A | 30.4 | Very low | 32.3 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | 84.1 | 143.4 | 63.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 731 | P | 42.1 | Very low | 32.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | -97.9 | -179.9 | -175.8 | 41 | -37.1 | 0 | 0 | 0 | 112.8 | ||||
| 732 | D | 34.8 | Very low | 32.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -141 | 164.8 | 162.8 | -151.8 | 2 | 0 | 0 | 0 | 114.2 | ||||
| 733 | Y | 31.2 | Very low | 32.9 | Very low | 209 Ų | 209 | 128 Ų | 128 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | -79.9 | 174.6 | -168.6 | -65.4 | -141.6 | 0 | 0 | 0 | 111.2 | ||||
| 734 | G | 29.4 | Very low | 33 | Very low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | 137.8 | 143.1 | -7.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 735 | I | 28.2 | Very low | 32.8 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 71.2 | 150.7 | 156.1 | -26.5 | 176.8 | 0 | 0 | 0 | 119 | ||||
| 736 | I | 27.9 | Very low | 32.3 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 83.3 | 131.3 | 161.6 | -45.1 | -179.4 | 0 | 0 | 0 | 117.7 | ||||
| 737 | G | 31 | Very low | 32.4 | Very low | 79 Ų | 79 | 129.2 Ų | 129.2 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 161.7 | 61.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 738 | A | 31.2 | Very low | 32.6 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -83.4 | 173.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 739 | N | 32.6 | Very low | 32.9 | Very low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 94.3 | 108.1 | 152.2 | -72.1 | -16.2 | 0 | 0 | 0 | 122.4 | ||||
| 740 | N | 32.9 | Very low | 32.8 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | 44 | 138.5 | 111 | -71.3 | -15.2 | 0 | 0 | 0 | 122 | |||||
| 741 | G | 33.1 | Very low | 33 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | 156.6 | 83.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 742 | G | 30.6 | Very low | 32.8 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 70.5 | 178.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 743 | V | 35 | Very low | 32.6 | Very low | 144 Ų | 144 | 129 Ų | 129 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | cis | -136.2 | 144.5 | -1.7 | 174.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 744 | T | 30.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -85.7 | 152.4 | 176.4 | 45.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 745 | L | 34.6 | Very low | 32.5 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 126.7 | 155.2 | -117.4 | 161.1 | 0 | 0 | 0 | 110.4 | ||||
| 746 | Q | 31.6 | Very low | 32.7 | Very low | 177 Ų | 177 | 124 Ų | 124 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -113.2 | 150.7 | 179.9 | -67.5 | 176.2 | -45.4 | 0 | 0 | 110.4 | ||||
| 747 | S | 35.1 | Very low | 32.8 | Very low | 104 Ų | 104 | 120.2 Ų | 120.2 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | 178.6 | 147.9 | 154.1 | 36.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 748 | H | 37.6 | Very low | 32.9 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | cis | -162.2 | 136.1 | -20.7 | -109.4 | -59.1 | 0 | 0 | 0 | 108.6 | ||||
| 749 | H | 35.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | trans | 57.4 | 165.9 | 155.1 | -64.7 | -66.1 | 0 | 0 | 0 | 120.6 | ||||
| 750 | A | 33.8 | Very low | 32.8 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | cis | -169.5 | 145.2 | -39.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 751 | V | 34.6 | Very low | 33 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | 70.2 | 143.7 | 147.4 | 169.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 752 | P | 38.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -108.4 | -172.2 | -178.2 | 41.9 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 753 | V | 30.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 170.1 | 132.7 | 132 | 150.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 754 | S | 29.5 | Very low | 33.6 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | trans | 45.4 | 126.4 | 153.6 | 75.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 755 | S | 28.1 | Very low | 34 | Very low | 102 Ų | 102 | 141.4 Ų | 141.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 82 | 152.6 | 121.4 | 66.1 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 756 | T | 32.5 | Very low | 34 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 76.1 | 97.5 | 158.2 | 25.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 757 | S | 29 | Very low | 34.2 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | trans | 19.8 | 129.4 | 131.8 | 58.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 758 | N | 33.1 | Very low | 34.2 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | -172.7 | 169.4 | 98.8 | -102.8 | -50 | 0 | 0 | 0 | 115.5 | |||||
| 759 | F | 26.9 | Very low | 34.1 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 156.4 | 179.8 | -71.9 | -107.5 | 0 | 0 | 0 | 114.9 | ||||
| 760 | R | 34.8 | Very low | 33.9 | Very low | 252 Ų | 252 | 134.9 Ų | 134.9 | 95% | 0.951 | 75% | 0.745 | S | S | * | * | -173.8 | 161.8 | 120.2 | -100.2 | 163.5 | -170.4 | -148 | 0.8 | 114.5 | |||||
| 761 | H | 37.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -117.6 | 165.8 | -178.6 | -124.9 | -62.1 | 0 | 0 | 0 | 110.8 | ||||
| 762 | P | 42 | Very low | 34.1 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | -130.3 | 158.5 | 108.1 | 5.4 | 18 | 0 | 0 | 0 | 112.6 | |||||
| 763 | E | 34.9 | Very low | 33.9 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | 74 | 138.8 | 66.1 | -56.9 | -162.9 | 124.8 | 0 | 0 | 114.8 | |||||
| 764 | Y | 35.4 | Very low | 34.2 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | cis | -150.9 | 129 | 45.7 | -86.7 | -102.9 | 0 | 0 | 0 | 117.8 | ||||
| 765 | L | 37.3 | Very low | 34.3 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | 49.9 | 153.1 | 120.4 | -88.8 | 173 | 0 | 0 | 0 | 129.8 | |||||
| 766 | M | 36.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | trans | 79.1 | 108.3 | 160.3 | -65.7 | -50.3 | 174.6 | 0 | 0 | 120.8 | ||||
| 767 | T | 35.3 | Very low | 34.8 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | 81.7 | 154.2 | 72.7 | 57.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 768 | T | 35.4 | Very low | 35 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -172.6 | 171.1 | -2.2 | 21.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 769 | A | 34.7 | Very low | 35.2 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -169.4 | -176.4 | -12.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 770 | N | 32.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -100.1 | 165.4 | -176.9 | -71.1 | 0.1 | 0 | 0 | 0 | 116 | ||||
| 771 | P | 38.4 | Very low | 35.8 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -138 | -168 | 136.3 | 37.3 | -21.8 | 0 | 0 | 0 | 116 | ||||
| 772 | V | 32.4 | Very low | 35.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -141.2 | 152.6 | -154.8 | 170.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 773 | T | 35.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | trans | 176.3 | 164 | 156.5 | 19.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 774 | Q | 36.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | cis | -161.6 | 147.9 | -36.1 | -137.8 | 178.2 | 67.9 | 0 | 0 | 113.2 | ||||
| 775 | S | 32.8 | Very low | 35.2 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 33.4 | 137.8 | 149.7 | 62.2 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 776 | G | 34.3 | Very low | 35.1 | Very low | 82 Ų | 82 | 128.2 Ų | 128.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 169.9 | 98.5 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 777 | S | 36.7 | Very low | 35.1 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -41.8 | 171 | 167.6 | -59.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 778 | S | 33.3 | Very low | 35.2 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | 179 | 148.8 | -19.1 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 779 | S | 36.7 | Very low | 35.3 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | 148.2 | 163.5 | 89.4 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 780 | H | 37 | Very low | 35.4 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 70.6 | 149.4 | 151.8 | -62.5 | -41.6 | 0 | 0 | 0 | 120.9 | ||||
| 781 | I | 36.5 | Very low | 35.4 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 60% | 0.6 | 78% | 0.784 | S | S | * | * | cis | -163.6 | 152.4 | -3.9 | -122 | 170 | 0 | 0 | 0 | 114.6 | ||||
| 782 | Y | 35.9 | Very low | 35.3 | Very low | 196 Ų | 196 | 124 Ų | 124 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 33.9 | 162.1 | 156.9 | -56.1 | -47.5 | 0 | 0 | 0 | 123.6 | ||||
| 783 | T | 34.1 | Very low | 35.6 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | cis | -164.4 | 154.7 | -9.3 | 19 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 784 | N | 31.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | cis | 95.2 | 100 | 13.8 | -169.4 | 33.2 | 0 | 0 | 0 | 118.1 | ||||
| 785 | T | 35.1 | Very low | 35.5 | Very low | 145 Ų | 145 | 126.7 Ų | 126.7 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -153.7 | 154.2 | 165.8 | 41.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 786 | S | 35.7 | Very low | 35.6 | Very low | 115 Ų | 115 | 130 Ų | 130 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -156.6 | 154.8 | -167.7 | 55.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 787 | S | 36.3 | Very low | 35.4 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 178.9 | 157.8 | 158.8 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 788 | A | 38 | Very low | 35.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | cis | 112.5 | 117.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 789 | G | 36.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 157.1 | 90.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 790 | A | 36.7 | Very low | 34.7 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | 52.5 | 119.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 791 | N | 34.5 | Very low | 34.6 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | 47.3 | 131.1 | 121.5 | -59.1 | -5 | 0 | 0 | 0 | 125.3 | |||||
| 792 | S | 36.3 | Very low | 34.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | 162.2 | 151.7 | 128.3 | -168.8 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 793 | S | 37.1 | Very low | 34.6 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | cis | 175.6 | 169.6 | -31.8 | -83.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 794 | N | 37.7 | Very low | 34.9 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 83.3 | 113.5 | 178.7 | -49.1 | -39.7 | 0 | 0 | 0 | 115.9 | ||||
| 795 | R | 31.9 | Very low | 35 | Very low | 236 Ų | 236 | 131.2 Ų | 131.2 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | 72.4 | 108.3 | 61.8 | -83.8 | -160.7 | 175.5 | -153.6 | 2.5 | 115.6 | |||||
| 796 | I | 36.7 | Very low | 35.3 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 90% | 0.903 | 80% | 0.801 | S | S | * | * | 178.8 | 165 | 121.2 | -91.4 | 159.5 | 0 | 0 | 0 | 109.5 | |||||
| 797 | S | 28.6 | Very low | 35.3 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -109.3 | 158.8 | -166.9 | 53.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 798 | L | 33.5 | Very low | 35.1 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 136.8 | 123.7 | 141.5 | -74.5 | 158.6 | 0 | 0 | 0 | 115.6 | ||||
| 799 | S | 30.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | 42.5 | 132.8 | 144 | 62.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 800 | N | 29.2 | Very low | 35 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 56.1 | 100.9 | 141.9 | -60.7 | 6.4 | 0 | 0 | 0 | 120.3 | ||||
| 801 | V | 33.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | trans | -143 | 136.9 | 154.1 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 802 | S | 30.7 | Very low | 34.5 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -101 | 146.7 | 173.1 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 803 | P | 42.4 | Very low | 34.3 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -119 | 166.4 | 168.9 | 41 | -31.2 | 0 | 0 | 0 | 113.1 | ||||
| 804 | P | 41 | Very low | 34.1 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | cis | -133.7 | 156.7 | -49.6 | 37.3 | -23.1 | 0 | 0 | 0 | 112.4 | ||||
| 805 | N | 32.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -106.7 | 128.5 | 173.2 | -164.8 | -7 | 0 | 0 | 0 | 110.5 | ||||
| 806 | T | 41.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | -115.6 | 107.3 | -162.5 | -55.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 807 | A | 36.7 | Very low | 33.8 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 46.1 | 111.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 808 | M | 32.1 | Very low | 34 | Very low | 201 Ų | 201 | 141.9 Ų | 141.9 | 99% | 0.99 | 80% | 0.795 | S | S | * | * | trans | -106.1 | 134 | 131.3 | -87.7 | -160.9 | 165.9 | 0 | 0 | 109.5 | ||||
| 809 | R | 37.5 | Very low | 34 | Very low | 251 Ų | 251 | 137.7 Ų | 137.7 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | -116.3 | 139.8 | 170.6 | -168.9 | 169.9 | -177.8 | 155.7 | 1.2 | 110 | ||||
| 810 | K | 33.6 | Very low | 34.4 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -100.4 | 163.7 | -168.8 | -172.4 | -175.2 | -179.8 | -108.8 | 0 | 111.6 | ||||
| 811 | E | 30.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 50% | 0.495 | 79% | 0.791 | S | S | . | * | trans | 116.6 | 126.7 | 151.6 | -66.2 | -76.9 | 110.2 | 0 | 0 | 117.2 | ||||
| 812 | R | 30.6 | Very low | 34.5 | Very low | 199 Ų | 199 | 139 Ų | 139 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | trans | 73.5 | 105.4 | 148 | -64.3 | 160.7 | -155.9 | -152.2 | -0 | 120 | ||||
| 813 | F | 32.6 | Very low | 34.5 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | -125 | 158.2 | 126.5 | -118.8 | -95.4 | 0 | 0 | 0 | 109.6 | |||||
| 814 | L | 32.6 | Very low | 34.1 | Very low | 167 Ų | 167 | 141 Ų | 141 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -127.6 | 149.6 | -176.9 | -84.4 | 162.3 | 0 | 0 | 0 | 110.5 | ||||
| 815 | G | 32.3 | Very low | 34.3 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 118.3 | 107.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 816 | S | 33.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | 84.2 | 123.5 | 63.4 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 817 | A | 33.6 | Very low | 33.9 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | cis | -159.9 | 167.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 818 | S | 33.9 | Very low | 33.8 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | 58.8 | 150 | 158.8 | 55 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 819 | G | 32.4 | Very low | 33.7 | Very low | 69 Ų | 69 | 140.9 Ų | 140.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | -169.1 | 165.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 820 | P | 38.6 | Very low | 33.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -120.2 | 170.3 | -157.3 | 41.7 | -31.8 | 0 | 0 | 0 | 116.1 | ||||
| 821 | Q | 32 | Very low | 33.4 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 176.2 | 136.6 | 130.3 | -96.8 | 175.6 | -1.6 | 0 | 0 | 114.6 | ||||
| 822 | Q | 33.3 | Very low | 33.4 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | trans | 53.8 | 153.3 | 131.1 | -57.3 | 175.9 | 8.1 | 0 | 0 | 121.9 | ||||
| 823 | H | 30.9 | Very low | 33.4 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -160.8 | 156.7 | -16.2 | -107.6 | -52.4 | 0 | 0 | 0 | 109.9 | ||||
| 824 | P | 34.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -114.4 | -163.2 | 175.3 | 42.6 | -33.1 | 0 | 0 | 0 | 112.9 | ||||
| 825 | P | 43.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -124.3 | -165.5 | -46.7 | 36.3 | -18.1 | 0 | 0 | 0 | 112 | ||||
| 826 | V | 34.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -173.9 | 129.9 | 146.9 | 135.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 827 | Q | 31.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 18.8 | 159.3 | 148.3 | -48.5 | 179.2 | -8.2 | 0 | 0 | 128.8 | ||||
| 828 | R | 33.8 | Very low | 33.1 | Very low | 230 Ų | 230 | 142.4 Ų | 142.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | 93.9 | 143.7 | 150.2 | -48.9 | -170.2 | -173.9 | 179.1 | 2 | 118.2 | ||||
| 829 | G | 30.3 | Very low | 32.9 | Very low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | cis | 170.2 | 164.2 | -9.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 830 | L | 33.9 | Very low | 32.9 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 67.8 | 165.7 | 175 | -68.4 | 76.4 | 0 | 0 | 0 | 117.5 | ||||
| 831 | H | 31.5 | Very low | 32.8 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | cis | 149.9 | 119.4 | -42.9 | -90.3 | -19 | 0 | 0 | 0 | 111.8 | ||||
| 832 | S | 30.9 | Very low | 32.8 | Very low | 118 Ų | 118 | 149 Ų | 149 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 166.3 | 174.8 | 148.7 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 833 | Y | 29.4 | Very low | 32.6 | Very low | 219 Ų | 219 | 151 Ų | 151 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | -161.6 | 157.6 | -86.9 | -136.7 | -88.4 | 0 | 0 | 0 | 110 | |||||
| 834 | G | 34 | Very low | 32.8 | Very low | 61 Ų | 61 | 148.8 Ų | 148.8 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 116.4 | 128.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 835 | Q | 33.2 | Very low | 32.4 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | 69.3 | 132.8 | 40.8 | -61.7 | -161.8 | -19.7 | 0 | 0 | 114.2 | ||||
| 836 | T | 30.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 66% | 0.663 | 80% | 0.802 | S | S | * | * | cis | -170.3 | 154.2 | -10.4 | 27.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 837 | K | 32.6 | Very low | 31.5 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | 168.8 | 165.8 | 124.3 | -92.3 | 167.6 | -176.8 | 179.2 | 0 | 113.2 | |||||
| 838 | H | 28.3 | Very low | 31.4 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -87.8 | 153.9 | -176.2 | -62.1 | -114.5 | 0 | 0 | 0 | 112.7 | ||||
| 839 | Y | 31.3 | Very low | 31.3 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | -162.6 | 154 | 124.6 | -118.7 | -83.4 | 0 | 0 | 0 | 110.2 | |||||
| 840 | S | 32.5 | Very low | 31.4 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -130.2 | 145.2 | 167.2 | -56.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 841 | P | 35 | Very low | 31.5 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -146 | 148.5 | 132.4 | 35.6 | -20 | 0 | 0 | 0 | 115.7 | ||||
| 842 | L | 31.9 | Very low | 31.7 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | 50.2 | 128.1 | 138.3 | -60.8 | 168 | 0 | 0 | 0 | 121.6 | ||||
| 843 | M | 30.1 | Very low | 31.7 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 147.3 | 164.9 | -70.1 | -84 | -169.1 | 0 | 0 | 112.6 | ||||
| 844 | P | 34.1 | Very low | 32 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -105.5 | 140.4 | 146.4 | 34.8 | -27.4 | 0 | 0 | 0 | 111.4 | ||||
| 845 | T | 27.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -78.2 | 131.9 | 170.2 | 49.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 846 | S | 32.3 | Very low | 31.9 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -160.3 | 150.9 | 157.1 | -89 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 847 | T | 27.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | -90.9 | 137 | 179.9 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 848 | S | 29.8 | Very low | 32 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -163.2 | 168.7 | 134.7 | -152 | 0 | 0 | 0 | 0 | 112 | ||||
| 849 | S | 30.7 | Very low | 32.3 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | trans | -66.4 | 165.9 | 173 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 850 | S | 33.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | 173.9 | 169.9 | 97.3 | -76.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 851 | N | 34.8 | Very low | 32.6 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | 72.6 | 145.2 | 160.7 | -72.9 | 39.2 | 0 | 0 | 0 | 117.9 | ||||
| 852 | D | 37 | Very low | 32.7 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | cis | -134.3 | 159.3 | 4.1 | -83 | -53.2 | 0 | 0 | 0 | 112.3 | ||||
| 853 | S | 30.7 | Very low | 32.7 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -104.3 | 157.2 | 156.3 | 63 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 854 | V | 35.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 128 Ų | 128 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -174.2 | 161.2 | 141.2 | -97.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 855 | C | 35.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 126 Ų | 126 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | 98.8 | 59.4 | 159.3 | -60.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 856 | D | 29.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -119.4 | 122.8 | 133 | -101.6 | -48.6 | 0 | 0 | 0 | 107.8 | ||||
| 857 | S | 35.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -166.2 | 99.9 | -178.8 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 858 | L | 30 | Very low | 33.2 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -137.6 | 91.1 | 170.9 | -76.8 | 177.5 | 0 | 0 | 0 | 110.9 | ||||
| 859 | S | 34.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -165.1 | 113.6 | 152 | -85.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 860 | S | 34.2 | Very low | 33.5 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 12.8 | 135.6 | 148.5 | 56.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 861 | N | 36.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -157.8 | 152.9 | 103.3 | -128.9 | -19.3 | 0 | 0 | 0 | 117 | |||||
| 862 | N | 38 | Very low | 33.5 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | 50.9 | 128.7 | 153.6 | -66.1 | -32.1 | 0 | 0 | 0 | 123.5 | ||||
| 863 | G | 30.4 | Very low | 33.4 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 151.7 | 83.1 | 131.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 864 | L | 34.2 | Very low | 33.5 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 100% | 1 | 80% | 0.8 | S | S | * | * | trans | 66 | 163.1 | 151.4 | -55.5 | 166.1 | 0 | 0 | 0 | 119.2 | ||||
| 865 | G | 31.5 | Very low | 33.5 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 147.7 | -14.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 866 | S | 31.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 11.6 | 118.2 | 174.6 | -154.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 867 | S | 31.6 | Very low | 33.7 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | 53.6 | 136 | 134.3 | 68.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 868 | I | 32.8 | Very low | 33.7 | Very low | 165 Ų | 165 | 123.7 Ų | 123.7 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | -175.2 | 155.2 | 107.8 | -97.9 | 164.5 | 0 | 0 | 0 | 113.5 | |||||
| 869 | V | 32.7 | Very low | 33.8 | Very low | 128 Ų | 128 | 120 Ų | 120 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -70.8 | 162.8 | -168.6 | -70 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 870 | A | 34.5 | Very low | 33.8 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 161.2 | 122.7 | 102.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 871 | N | 32.4 | Very low | 33.7 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | 64.4 | 141.2 | 136.3 | -82.6 | 1.8 | 0 | 0 | 0 | 127 | ||||
| 872 | S | 36.9 | Very low | 33.4 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 73.2 | 137.7 | 151.8 | 70.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 873 | G | 33.3 | Very low | 32.9 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 171.2 | -178.7 | -9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 874 | N | 34.2 | Very low | 33 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | 80 | 91.1 | 164.5 | -153.1 | 45.3 | 0 | 0 | 0 | 120.7 | ||||
| 875 | S | 34 | Very low | 32.7 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | 45.8 | 123.9 | 121.4 | -42.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 876 | G | 35.5 | Very low | 32.7 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -164.9 | 87.7 | 164 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 877 | N | 34.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -79.9 | 125 | -178.4 | -76.6 | -23.4 | 0 | 0 | 0 | 112.7 | ||||
| 878 | V | 35.1 | Very low | 32.6 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | -139.1 | 124.2 | 142.4 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 879 | A | 31.9 | Very low | 32.5 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -122.7 | 127.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 880 | Q | 33.7 | Very low | 32.4 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -149.7 | 86.7 | 167.3 | -116.9 | 170.2 | 9.9 | 0 | 0 | 112 | ||||
| 881 | H | 32.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 23.8 | 110.6 | 134.5 | -138.9 | -83.4 | 0 | 0 | 0 | 118.4 | ||||
| 882 | L | 31.2 | Very low | 32 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -149.4 | 132.1 | 148.1 | -113.2 | 171.1 | 0 | 0 | 0 | 109.6 | ||||
| 883 | S | 26.9 | Very low | 31.7 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -138.4 | 105.9 | -169.9 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 884 | A | 32.2 | Very low | 31.5 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -150 | 118.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 885 | R | 27.8 | Very low | 31.5 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | cis | 68.2 | 81.6 | 42.8 | -157.4 | -174.7 | -164.6 | 179.4 | 6.6 | 112.1 | ||||
| 886 | N | 31.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -129.9 | 86.9 | 162.2 | -104.1 | -13 | 0 | 0 | 0 | 109.2 | ||||
| 887 | T | 29.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 64% | 0.638 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 121.3 | 163.9 | 41.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 888 | N | 32 | Very low | 31.2 | Very low | 137 Ų | 137 | 144.7 Ų | 144.7 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -115 | 88.5 | 169.4 | -86.6 | -13.6 | 0 | 0 | 0 | 109.3 | ||||
| 889 | D | 29.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 139.6 | 161.1 | -62 | -72.2 | 0 | 0 | 0 | 109.4 | ||||
| 890 | Y | 30.8 | Very low | 30.8 | Very low | 219 Ų | 219 | 146.9 Ų | 146.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -128.1 | 116.1 | 166.1 | -99.6 | -82.8 | 0 | 0 | 0 | 110.4 | ||||
| 891 | A | 32.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 155.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 892 | L | 25.9 | Very low | 30.7 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -103.3 | 115.4 | -169.8 | -173.5 | 169.7 | 0 | 0 | 0 | 110.6 | ||||
| 893 | I | 31.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -133.3 | 120.4 | 169.9 | -65.1 | -175.4 | 0 | 0 | 0 | 111.3 | ||||
| 894 | S | 29.5 | Very low | 30.9 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | -79.9 | 161.4 | 165 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 895 | S | 34.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | cis | -176.6 | 164.8 | -8.3 | 47.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 896 | Q | 34.1 | Very low | 31 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -156.5 | 151.8 | 155.3 | -121.2 | 161.5 | 79.3 | 0 | 0 | 112.7 | ||||
| 897 | N | 26.8 | Very low | 31.1 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 152.9 | -170.3 | -76.2 | -25.3 | 0 | 0 | 0 | 113.2 | ||||
| 898 | S | 35 | Very low | 31.2 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | trans | -151.8 | 129.2 | 146 | -78.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 899 | S | 28.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 149.3 | -174.2 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 900 | L | 32.1 | Very low | 31.1 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -162.1 | 157.1 | 144.1 | -107.5 | 162.4 | 0 | 0 | 0 | 111.9 | ||||
| 901 | S | 32 | Very low | 31 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -77 | 158.7 | -155.9 | -48.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 902 | P | 31 | Very low | 30.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -90.8 | 159.3 | 173.5 | 37.1 | -35.2 | 0 | 0 | 0 | 113.6 | ||||
| 903 | H | 31.6 | Very low | 31 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 123.2 | 167.5 | -118.6 | -80.2 | 0 | 0 | 0 | 113.1 | ||||
| 904 | L | 32 | Very low | 31 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 48 | 128.5 | 152.7 | -63.5 | 169 | 0 | 0 | 0 | 122.3 | ||||
| 905 | G | 29.1 | Very low | 31.2 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 136.8 | 91 | 142 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 906 | P | 31.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -113.5 | 121.8 | 173.4 | 35.6 | -23.6 | 0 | 0 | 0 | 113.8 | ||||
| 907 | T | 34.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -158.6 | 141.2 | 170.4 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 908 | C | 31.8 | Very low | 31.7 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | cis | -171.3 | 144.2 | -41.7 | 40.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 909 | D | 28.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -90.5 | 161.2 | 176.1 | -66.7 | -71.3 | 0 | 0 | 0 | 112.9 | ||||
| 910 | E | 30.3 | Very low | 31.6 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | 50.1 | 132.9 | 156.9 | -68 | -156.7 | 103.3 | 0 | 0 | 124 | ||||
| 911 | V | 28.9 | Very low | 31.4 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | 35.1 | 121 | 130.4 | -170.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 912 | V | 31.1 | Very low | 31.4 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -155.1 | 154.3 | 139.7 | 138.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 913 | T | 26.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 130.5 Ų | 130.5 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -145.3 | 146.4 | 165.9 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 914 | A | 31.3 | Very low | 31.2 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 65% | 0.653 | 79% | 0.792 | S | S | * | * | trans | 70.5 | 154.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 915 | T | 34.8 | Very low | 31 | Very low | 138 Ų | 138 | 124.3 Ų | 124.3 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | cis | -136 | -176.9 | 38.2 | -19.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 916 | T | 32.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 124 Ų | 124 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -87.7 | 159.8 | -166.2 | 52.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 917 | L | 35.2 | Very low | 31.3 | Very low | 174 Ų | 174 | 125 Ų | 125 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -145.9 | 158.4 | 133.6 | -87.8 | -177.8 | 0 | 0 | 0 | 111 | ||||
| 918 | P | 36.6 | Very low | 31.3 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -120.2 | 166.4 | -163.5 | 41.7 | -31.6 | 0 | 0 | 0 | 116.5 | ||||
| 919 | S | 32.2 | Very low | 31.4 | Very low | 108 Ų | 108 | 122.3 Ų | 122.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 163.5 | 153.4 | 120.5 | -71.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 920 | V | 30.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 49.8 | 96.6 | 156.5 | -64.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 921 | S | 28.1 | Very low | 31.8 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 16.4 | 137.5 | 121.6 | 59.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 922 | L | 30.7 | Very low | 32 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | -163.4 | 177.8 | 119 | -105.2 | 162.3 | 0 | 0 | 0 | 111.7 | |||||
| 923 | S | 28.6 | Very low | 32 | Very low | 95 Ų | 95 | 121.3 Ų | 121.3 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -140.1 | 180 | -149.9 | 59.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 924 | C | 29.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 124.5 Ų | 124.5 | 89% | 0.892 | 78% | 0.775 | S | S | * | * | trans | 81.6 | 149.1 | 172.8 | -57 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 925 | G | 29.3 | Very low | 32.7 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 167.1 | 157.2 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 926 | G | 34 | Very low | 32.5 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 103.9 | 124.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 927 | T | 31.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 124.8 Ų | 124.8 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | cis | 82.5 | 133.6 | 44.3 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 928 | A | 35.5 | Very low | 32.3 | Very low | 88 Ų | 88 | 126.7 Ų | 126.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -156.4 | 170.6 | 9.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 929 | S | 33.9 | Very low | 32 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 55.1 | 152.5 | 154.9 | -73.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 930 | E | 33 | Very low | 32.1 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | cis | -175.9 | 142.1 | -18.9 | 178.8 | 158.6 | -171.4 | 0 | 0 | 112.4 | ||||
| 931 | S | 33.4 | Very low | 32.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 66 | 148.9 | 168.2 | 77.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 932 | T | 33.2 | Very low | 33 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | cis | -148.4 | 146.2 | 12.3 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 933 | E | 32.7 | Very low | 33.5 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 163.2 | 161.5 | -78.8 | 174.2 | 134.4 | 0 | 0 | 122.5 | ||||
| 934 | Y | 34.4 | Very low | 35 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -145.8 | 154.5 | -155.8 | -107.8 | -89.2 | 0 | 0 | 0 | 111.4 | P936 | Y934-P936 HydrophobicContact CD1-CB 4.16Å; Y934-P936 HydrophobicContact CE1-CB 4.08Å | ||
| 935 | P | 37 | Very low | 36.7 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | -132.7 | 164.6 | 81.8 | 12.6 | 10.9 | 0 | 0 | 0 | 115.1 | |||||
| 936 | P | 31.4 | Very low | 38.6 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 68% | 0.675 | 71% | 0.714 | S | S | * | * | trans | -85.7 | 144.3 | -155.6 | 31.8 | -37 | 0 | 0 | 0 | 116.7 | Y934 | Y934-P936 HydrophobicContact CD1-CB 4.16Å; Y934-P936 HydrophobicContact CE1-CB 4.08Å | ||
| 937 | S | 29.6 | Very low | 40.6 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | trans | -81.5 | 153.4 | 172.1 | -81.6 | 0 | 0 | 0 | 0 | 113.9 | M939 | S937-M939 PolarHBondContact O-N 3.23Š| ||
| 938 | K | 32.8 | Very low | 42.7 | Very low | 214 Ų | 214 | 128.2 Ų | 128.2 | 93% | 0.93 | 67% | 0.668 | S | S | * | * | trans | -81.3 | 81.1 | -168.2 | -66.5 | 173.2 | -179.6 | 169.4 | 0 | 114 | ||||
| 939 | M | 31 | Very low | 44.6 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 85% | 0.847 | 66% | 0.661 | S | S | * | * | trans | -119.2 | 89.4 | 167.6 | -72.7 | -177.7 | 68.3 | 0 | 0 | 111.8 | S937 | S937-M939 PolarHBondContact O-N 3.23Š| ||
| 940 | H | 34.7 | Very low | 46.9 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | trans | -154.8 | -24.4 | 170.6 | -121.5 | 73.8 | 0 | 0 | 0 | 118.5 | N942 R943 | H940-N942 VanDerWaalsContact C-N 3.29Å; H940-N942 PolarHBondContact O-N 2.8Å; H940-R943 WeakPolarHBondContact O-CB 2.96Å; H940-R943 PolarHBondContact O-N 3.46Å | ||
| 941 | R | 38.3 | Very low | 49.2 | Very low | 220 Ų | 220 | 124.9 Ų | 124.9 | 83% | 0.83 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -53.3 | -35.4 | -167.8 | -83 | -175.5 | 168.4 | 179.6 | -5.6 | 115.8 | R943 | R941-R943 VanDerWaalsContact C-N 3.31Å; R941-R943 PolarHBondContact O-N 2.58Å |
| 942 | N | 38.8 | Very low | 51.6 | Low | 138 Ų | 138 | 119.7 Ų | 119.7 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.5 | -13.6 | 178 | -82.3 | -4.2 | 0 | 0 | 0 | 114.6 | H940 N946 | H940-N942 VanDerWaalsContact C-N 3.29Å; H940-N942 PolarHBondContact O-N 2.8Å; N942-N946 PolarHBondContact O-ND2 3.41Å |
| 943 | R | 41.5 | Very low | 53.9 | Low | 185 Ų | 185 | 118.5 Ų | 118.5 | 70% | 0.698 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.4 | -40.2 | 175 | -134.9 | 179.3 | -167.5 | -171.1 | 3.7 | 111.1 | H940 R941 N946 Q947 | H940-R943 WeakPolarHBondContact O-CB 2.96Å; H940-R943 PolarHBondContact O-N 3.46Å; R941-R943 VanDerWaalsContact C-N 3.31Å; R941-R943 PolarHBondContact O-N 2.58Å; R943-N946 PolarHBondContact O-N 2.92Å; R943-Q947 PolarHBondContact O-N 2.97Å; R943-Q947 VanDerWaalsContact O-N 3.16Å |
| 944 | D | 60.1 | Low | 56.2 | Low | 41 Ų | 41 | 114 Ų | 114 | 22% | 0.219 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -57.8 | -52.4 | 179.1 | -69.1 | -38.6 | 0 | 0 | 0 | 112.6 | N946 Q947 I948 K1013 | D944-N946 VanDerWaalsContact C-N 3.31Å; D944-N946 PolarHBondContact O-N 3.11Å; D944-Q947 WeakPolarHBondContact O-CB 3.5Å; D944-Q947 PolarHBondContact O-N 3.06Å; D944-I948 WeakPolarHBondContact O-CG1 3.43Å; D944-I948 PolarHBondContact O-N 3.04Å; D944-K1013 WeakPolarHBondContact OD1-CE 3.4Å; D944-K1013 IonicContact OD1-NZ 3.89Å; D944-K1013 PolarHBondContact OD1-NZ 3.38Å; D944-K1013 IonicContact OD2-NZ 2.86Å; D944-K1013 PolarHBondContact OD2-NZ 2.97Å |
| 945 | V | 64.4 | Low | 58.5 | Low | 83 Ų | 83 | 105.2 Ų | 105.2 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | Q947 K949 | V945-Q947 VanDerWaalsContact C-N 3.27Å; V945-Q947 PolarHBondContact O-N 3.15Å; V945-K949 PolarHBondContact O-N 2.86Å; V945-K949 VanDerWaalsContact O-N 3.12Å |
| 946 | N | 70.4 | Confident | 60.7 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.6 | -12 | 177.5 | -72.2 | -56.2 | 0 | 0 | 0 | 113.5 | N942 R943 D944 R950 | N942-N946 PolarHBondContact O-ND2 3.41Å; R943-N946 PolarHBondContact O-N 2.92Å; D944-N946 VanDerWaalsContact C-N 3.31Å; D944-N946 PolarHBondContact O-N 3.11Å; N946-R950 VanDerWaalsContact O-CZ 3.23Å; N946-R950 PolarHBondContact O-NE 3.05Å; N946-R950 PolarHBondContact O-NH2 2.81Å |
| 947 | Q | 75 | Confident | 63.4 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 33% | 0.327 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83.6 | -51.1 | 168.5 | -171 | 64 | 42.2 | 0 | 0 | 110 | R943 D944 V945 K949 R950 D951 | R943-Q947 PolarHBondContact O-N 2.97Å; R943-Q947 VanDerWaalsContact O-N 3.16Å; D944-Q947 WeakPolarHBondContact O-CB 3.5Å; D944-Q947 PolarHBondContact O-N 3.06Å; V945-Q947 VanDerWaalsContact C-N 3.27Å; V945-Q947 PolarHBondContact O-N 3.15Å; Q947-K949 VanDerWaalsContact C-N 3.32Å; Q947-K949 PolarHBondContact O-N 3.11Å; Q947-R950 WeakPolarHBondContact O-CA 3.42Å; Q947-R950 WeakPolarHBondContact O-CB 3.29Å; Q947-R950 PolarHBondContact O-N 3Å; Q947-R950 VanDerWaalsContact OE1-CZ 3.25Å; Q947-D951 PolarHBondContact NE2-OD1 2.98Å; Q947-D951 VanDerWaalsContact O-CG 3.28Å; Q947-D951 PolarHBondContact O-N 2.95Å |
| 948 | I | 75 | Confident | 66.5 | Low | 52 Ų | 52 | 99.3 Ų | 99.3 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -53.8 | -46 | 178.4 | -66 | 164.7 | 0 | 0 | 0 | 111.6 | D944 R950 D951 L952 H1011 | D944-I948 WeakPolarHBondContact O-CG1 3.43Å; D944-I948 PolarHBondContact O-N 3.04Å; I948-R950 VanDerWaalsContact C-N 3.3Å; I948-R950 PolarHBondContact O-N 3.42Å; I948-D951 PolarHBondContact O-N 3.26Å; I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 WeakPolarHBondContact O-CD1 3.46Å; I948-L952 PolarHBondContact O-N 3.3Å; I948-H1011 HydrophobicContact CD1-CB 4.31Å; I948-H1011 HydrophobicContact CG1-CB 4.36Å; I948-H1011 HydrophobicContact CG2-CB 4.45Å |
| 949 | K | 77 | Confident | 69.4 | Low | 132 Ų | 132 | 89.1 Ų | 89.1 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.1 | -35 | 176.1 | -80.4 | -161.4 | 169.4 | -168.4 | 0 | 113.7 | V945 Q947 S953 | V945-K949 PolarHBondContact O-N 2.86Å; V945-K949 VanDerWaalsContact O-N 3.12Å; Q947-K949 VanDerWaalsContact C-N 3.32Å; Q947-K949 PolarHBondContact O-N 3.11Å; K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 PolarHBondContact O-OG 3.41Å |
| 950 | R | 81.2 | Confident | 72.5 | Confident | 123 Ų | 123 | 85 Ų | 85 | 46% | 0.464 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.6 | -47.8 | 175.2 | -87.5 | 179.8 | -69.3 | 110 | 3.5 | 111 | N946 Q947 I948 L952 S953 T954 | N946-R950 VanDerWaalsContact O-CZ 3.23Å; N946-R950 PolarHBondContact O-NE 3.05Å; N946-R950 PolarHBondContact O-NH2 2.81Å; Q947-R950 WeakPolarHBondContact O-CA 3.42Å; Q947-R950 WeakPolarHBondContact O-CB 3.29Å; Q947-R950 PolarHBondContact O-N 3Å; Q947-R950 VanDerWaalsContact OE1-CZ 3.25Å; I948-R950 VanDerWaalsContact C-N 3.3Å; I948-R950 PolarHBondContact O-N 3.42Å; R950-L952 PolarHBondContact O-N 3.11Å; R950-S953 WeakPolarHBondContact CA-OG 3.4Å; R950-S953 CarbonylContact O-C 3.54Å; R950-S953 WeakPolarHBondContact O-CA 3.44Å; R950-S953 PolarHBondContact O-N 2.84Å; R950-S953 PolarHBondContact O-OG 3.47Å; R950-T954 PolarHBondContact O-N 3.43Å; R950-T954 PolarHBondContact O-OG1 3.47Å |
| 951 | D | 82.3 | Confident | 75.4 | Confident | 29 Ų | 29 | 79.7 Ų | 79.7 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -32.5 | -177.6 | -58.8 | -17.9 | 0 | 0 | 0 | 112.4 | Q947 I948 T954 G955 T956 A957 | Q947-D951 PolarHBondContact NE2-OD1 2.98Å; Q947-D951 VanDerWaalsContact O-CG 3.28Å; Q947-D951 PolarHBondContact O-N 2.95Å; I948-D951 PolarHBondContact O-N 3.26Å; D951-T954 WeakPolarHBondContact CA-OG1 3.41Å; D951-T954 PolarHBondContact O-OG1 3.26Å; D951-G955 PolarHBondContact O-N 3.1Å; D951-T956 PolarHBondContact O-N 3.37Å; D951-T956 PolarHBondContact O-OG1 2.93Å; D951-A957 HydrophobicContact CB-CB 3.93Å; D951-A957 PolarHBondContact O-N 3.45Å |
| 952 | L | 84 | Confident | 77.9 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.8 | -36.7 | 171.1 | -94 | 76.1 | 0 | 0 | 0 | 112.7 | I948 R950 T954 G955 A957 R985 Y986 L993 H1011 | I948-L952 HydrophobicContact CG2-CD1 4.08Å; I948-L952 WeakPolarHBondContact O-CD1 3.46Å; I948-L952 PolarHBondContact O-N 3.3Å; R950-L952 PolarHBondContact O-N 3.11Å; L952-T954 VanDerWaalsContact C-N 3.34Å; L952-G955 PolarHBondContact O-N 3.41Å; L952-A957 HydrophobicContact CD1-CB 3.48Å; L952-A957 VanDerWaalsContact CD1-CB 3.48Å; L952-A957 HydrophobicContact CG-CB 4.22Å; L952-R985 WeakPolarHBondContact O-CA 3.32Å; L952-R985 WeakPolarHBondContact O-CB 3.37Å; L952-Y986 HydrophobicContact CB-CD2 4.04Å; L952-Y986 HydrophobicContact CB-CE2 3.62Å; L952-Y986 HydrophobicContact CD2-CD1 4.04Å; L952-Y986 HydrophobicContact CD2-CD2 4.26Å; L952-Y986 HydrophobicContact CD2-CE1 3.7Å; L952-Y986 HydrophobicContact CD2-CE2 3.93Å; L952-Y986 HydrophobicContact CD2-CG 4.31Å; L952-Y986 HydrophobicContact CG-CE2 4.43Å; L952-L993 HydrophobicContact CD2-CD2 3.75Å; L952-H1011 WeakPolarHBondContact CD1-CE1 3.16Å |
| 953 | S | 81 | Confident | 80.5 | Confident | 87 Ų | 87 | 72.7 Ų | 72.7 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -70.9 | -27.9 | 177.5 | 71 | 0 | 0 | 0 | 0 | 113.3 | K949 R950 | K949-S953 PolarHBondContact O-N 3.06Å; K949-S953 PolarHBondContact O-OG 3.41Å; R950-S953 WeakPolarHBondContact CA-OG 3.4Å; R950-S953 CarbonylContact O-C 3.54Å; R950-S953 WeakPolarHBondContact O-CA 3.44Å; R950-S953 PolarHBondContact O-N 2.84Å; R950-S953 PolarHBondContact O-OG 3.47Å |
| 954 | T | 81.2 | Confident | 82.9 | Confident | 90 Ų | 90 | 66.4 Ų | 66.4 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.6 | 173.3 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | R950 D951 L952 T956 | R950-T954 PolarHBondContact O-N 3.43Å; R950-T954 PolarHBondContact O-OG1 3.47Å; D951-T954 WeakPolarHBondContact CA-OG1 3.41Å; D951-T954 PolarHBondContact O-OG1 3.26Å; L952-T954 VanDerWaalsContact C-N 3.34Å; T954-T956 PolarHBondContact O-N 3.37Å; T954-T956 PolarHBondContact OG1-OG1 2.91Å |
| 955 | G | 81.8 | Confident | 84.4 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 19% | 0.186 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 22.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D951 L952 N983 | D951-G955 PolarHBondContact O-N 3.1Å; L952-G955 PolarHBondContact O-N 3.41Å; G955-N983 CarbonylContact O-C 3.58Å; G955-N983 VanDerWaalsContact O-C 3.29Å; G955-N983 WeakPolarHBondContact O-CA 3.45Å |
| 956 | T | 84.1 | Confident | 85.7 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | trans | -103.9 | -1 | -177.7 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | D951 T954 | D951-T956 PolarHBondContact O-N 3.37Å; D951-T956 PolarHBondContact O-OG1 2.93Å; T954-T956 PolarHBondContact O-N 3.37Å; T954-T956 PolarHBondContact OG1-OG1 2.91Å | ||
| 957 | A | 88.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 151.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D951 L952 N983 V984 | D951-A957 HydrophobicContact CB-CB 3.93Å; D951-A957 PolarHBondContact O-N 3.45Å; L952-A957 HydrophobicContact CD1-CB 3.48Å; L952-A957 VanDerWaalsContact CD1-CB 3.48Å; L952-A957 HydrophobicContact CG-CB 4.22Å; A957-N983 PolarHBondContact O-N 3.44Å; A957-V984 HydrophobicContact CB-CB 4.16Å; A957-V984 PolarHBondContact O-N 2.88Å |
| 958 | R | 93.3 | Very high | 86.9 | Confident | 120 Ų | 120 | 72 Ų | 72 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.7 | 168.6 | -51.8 | -169.8 | -52.1 | 165.6 | 6.3 | 109.3 | I980 I981 T982 L1012 | R958-I980 HydrophobicContact CB-CG2 4.48Å; R958-I981 WeakPolarHBondContact CA-O 3.38Å; R958-T982 HydrophobicContact CG-CG2 4.25Å; R958-L1012 HydrophobicContact CB-CB 4.45Å; R958-L1012 HydrophobicContact CB-CD1 4.4Å; R958-L1012 PolarHBondContact O-N 3.03Å |
| 959 | V | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.9 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.2 | I980 I981 V984 V1009 E1010 H1011 | V959-I980 WeakPolarHBondContact O-CA 3.2Å; V959-I981 HydrophobicContact CG2-CB 3.94Å; V959-I981 HydrophobicContact CG2-CG1 4.49Å; V959-I981 PolarHBondContact N-O 3.02Å; V959-I981 PolarHBondContact O-N 3.35Å; V959-V984 HydrophobicContact CG1-CB 4.46Å; V959-V984 HydrophobicContact CG1-CG1 4.16Å; V959-V984 HydrophobicContact CG1-CG2 4.25Å; V959-V984 HydrophobicContact CG2-CG2 4.08Å; V959-V1009 HydrophobicContact CB-CB 3.85Å; V959-V1009 HydrophobicContact CB-CG1 4.48Å; V959-V1009 HydrophobicContact CB-CG2 4.1Å; V959-V1009 HydrophobicContact CG1-CB 4.5Å; V959-V1009 HydrophobicContact CG1-CG2 4.21Å; V959-V1009 HydrophobicContact CG2-CB 3.66Å; V959-V1009 HydrophobicContact CG2-CG1 3.75Å; V959-V1009 HydrophobicContact CG2-CG2 3.97Å; V959-E1010 CarbonylContact C-O 3.48Å; V959-E1010 WeakPolarHBondContact CA-O 3.26Å; V959-E1010 WeakPolarHBondContact CB-O 3.34Å; V959-H1011 WeakPolarHBondContact CG1-ND1 3.19Å |
| 960 | R | 95 | Very high | 87.7 | Confident | 85 Ų | 85 | 74.6 Ų | 74.6 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.8 | 168 | 179.3 | -166.7 | -70.3 | 137.3 | -8.8 | 108.5 | Q979 I980 V1009 E1010 L1012 | R960-Q979 WeakPolarHBondContact CA-O 3.32Å; R960-I980 HydrophobicContact CB-CD1 3.98Å; R960-I980 HydrophobicContact CG-CD1 4.07Å; R960-V1009 CarbonylContact O-C 3.29Å; R960-V1009 VanDerWaalsContact O-CA 3.25Å; R960-V1009 WeakPolarHBondContact O-CA 3.34Å; R960-E1010 IonicContact CZ-OE2 2.8Å; R960-E1010 PolarHBondContact N-O 2.84Å; R960-E1010 IonicContact NH1-OE2 2.65Å; R960-E1010 PolarHBondContact NH1-OE2 3.15Å; R960-E1010 PolarHBondContact O-N 3.39Å; R960-L1012 HydrophobicContact CB-CD2 4.08Å; R960-L1012 HydrophobicContact CB-CG 4.24Å |
| 961 | T | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135.9 | 173 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | F975 E976 N978 Q979 I981 V1009 | T961-F975 HydrophobicContact CG2-CB 4.06Å; T961-F975 HydrophobicContact CG2-CD1 4.41Å; T961-F975 HydrophobicContact CG2-CD2 3.26Å; T961-F975 HydrophobicContact CG2-CE2 3.66Å; T961-F975 HydrophobicContact CG2-CG 3.68Å; T961-F975 HydrophobicContact CG2-CZ 4.39Å; T961-E976 WeakPolarHBondContact CB-O 3.26Å; T961-E976 PolarHBondContact OG1-O 3.48Å; T961-N978 PolarHBondContact O-N 3.1Å; T961-N978 PolarHBondContact OG1-N 2.77Å; T961-N978 VanDerWaalsContact OG1-N 3.12Å; T961-Q979 HydrophobicContact CG2-CB 4.46Å; T961-Q979 PolarHBondContact N-O 2.92Å; T961-Q979 PolarHBondContact OG1-N 3.09Å; T961-Q979 PolarHBondContact OG1-O 3.49Å; T961-I981 HydrophobicContact CG2-CD1 3.74Å; T961-I981 HydrophobicContact CG2-CG1 4.04Å; T961-V1009 HydrophobicContact CG2-CG1 4.31Å |
| 962 | L | 92.8 | Very high | 88.6 | Confident | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | trans | -95.9 | -31.3 | 179.6 | -64.5 | 175.2 | 0 | 0 | 0 | 112.2 | Y1008 E1010 | L962-Y1008 PolarHBondContact N-O 3.11Å; L962-E1010 HydrophobicContact CD1-CB 4.41Å; L962-E1010 HydrophobicContact CD2-CB 4.05Å; L962-E1010 HydrophobicContact CG-CB 4.32Å | ||
| 963 | Y | 92.5 | Very high | 89 | Confident | 136 Ų | 136 | 70.7 Ų | 70.7 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -130.7 | 166 | -177.9 | -48.8 | -68.1 | 0 | 0 | 0 | 110.6 | F975 Y1008 | Y963-F975 WeakPolarHBondContact O-CD2 3.41Å; Y963-F975 WeakPolarHBondContact O-CE2 3.42Å; Y963-Y1008 HydrophobicContact CD2-CD1 4.3Å; Y963-Y1008 HydrophobicContact CD2-CD2 4.19Å; Y963-Y1008 HydrophobicContact CD2-CG 4.07Å |
| 964 | A | 91.6 | Very high | 89.7 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | trans | -75.2 | 147 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F975 P977 Y1008 | A964-F975 CarbonylContact C-O 3.56Å; A964-F975 WeakPolarHBondContact CA-O 3.5Å; A964-P977 HydrophobicContact CB-CG 4.44Å; A964-Y1008 WeakPolarHBondContact O-CE1 3.47Å | ||
| 965 | C | 91.6 | Very high | 90.3 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -139.2 | 133.9 | 173.5 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | S974 F975 Y1008 | C965-S974 CarbonylContact O-C 3.57Å; C965-S974 WeakPolarHBondContact O-CA 3.5Å; C965-F975 HydrophobicContact CB-CD1 3.94Å; C965-F975 HydrophobicContact CB-CD2 3.8Å; C965-F975 HydrophobicContact CB-CE1 3.56Å; C965-F975 HydrophobicContact CB-CE2 3.43Å; C965-F975 VanDerWaalsContact CB-CE2 3.43Å; C965-F975 HydrophobicContact CB-CG 4.06Å; C965-F975 HydrophobicContact CB-CZ 3.31Å; C965-F975 PolarHBondContact N-O 2.76Å; C965-F975 PolarHBondContact O-N 3.43Å; C965-Y1008 HydrophobicContact CB-CD1 4.18Å; C965-Y1008 HydrophobicContact CB-CE1 4.37Å |
| 966 | M | 92.2 | Very high | 90.9 | Very high | 167 Ų | 167 | 70.5 Ų | 70.5 | 82% | 0.823 | 37% | 0.371 | S | S | * | . | trans | -108 | 128 | 162.3 | -62.9 | -169.3 | -56.2 | 0 | 0 | 106.7 | ||||
| 967 | G | 86.6 | Confident | 91.3 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | trans | -76.1 | 130.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E972 S974 | G967-E972 WeakPolarHBondContact CA-OE2 3.29Å; G967-S974 PolarHBondContact N-OG 2.86Å | ||
| 968 | E | 84 | Confident | 91.5 | Very high | 193 Ų | 193 | 74 Ų | 74 | 90% | 0.902 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -82 | -25.2 | -179.7 | -62.3 | -170.7 | 175.5 | 0 | 0 | 111.9 | E972 | E968-E972 PolarHBondContact N-OE2 2.91Š|
| 969 | S | 85.9 | Confident | 91.6 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -115.7 | 163.3 | 173.5 | 77.6 | 0 | 0 | 0 | 0 | 114 | G971 E972 | S969-G971 PolarHBondContact O-N 2.69Å; S969-G971 PolarHBondContact OG-N 3.06Å; S969-E972 WeakPolarHBondContact CB-OE1 3.39Å; S969-E972 PolarHBondContact N-OE1 3.3Å; S969-E972 PolarHBondContact O-N 3.48Å; S969-E972 VanDerWaalsContact O-N 3.16Å; S969-E972 PolarHBondContact OG-OE1 2.9Å |
| 970 | E | 82.9 | Confident | 91.6 | Very high | 179 Ų | 179 | 74.6 Ų | 74.6 | 84% | 0.836 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.5 | 174.5 | -169.1 | 169.5 | -144 | 0 | 0 | 112.7 | E972 K1000 | E970-E972 PolarHBondContact O-N 3.11Å; E970-K1000 WeakPolarHBondContact O-CE 3.49Å; E970-K1000 PolarHBondContact O-NZ 3.46Å |
| 971 | G | 88.3 | Confident | 91.6 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S969 G1002 L1003 | S969-G971 PolarHBondContact O-N 2.69Å; S969-G971 PolarHBondContact OG-N 3.06Å; G971-G1002 CarbonylContact O-C 3.57Å; G971-G1002 WeakPolarHBondContact O-CA 3.27Å; G971-L1003 PolarHBondContact O-N 2.84Å |
| 972 | E | 93.5 | Very high | 91.5 | Very high | 28 Ų | 28 | 72.9 Ų | 72.9 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 157.5 | -177.3 | -73.3 | 153.5 | -108 | 0 | 0 | 113.3 | G967 E968 S969 E970 W992 K1000 L1003 | G967-E972 WeakPolarHBondContact CA-OE2 3.29Å; E968-E972 PolarHBondContact N-OE2 2.91Å; S969-E972 WeakPolarHBondContact CB-OE1 3.39Å; S969-E972 PolarHBondContact N-OE1 3.3Å; S969-E972 PolarHBondContact O-N 3.48Å; S969-E972 VanDerWaalsContact O-N 3.16Å; S969-E972 PolarHBondContact OG-OE1 2.9Å; E970-E972 PolarHBondContact O-N 3.11Å; E972-W992 HydrophobicContact CG-CH2 4.36Å; E972-W992 HydrophobicContact CG-CZ3 4.25Å; E972-K1000 PolarHBondContact O-NZ 3.01Å; E972-L1003 HydrophobicContact CG-CB 4.18Å |
| 973 | L | 92.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -96 | 127.7 | 169 | -72.6 | 179 | 0 | 0 | 0 | 111.2 | F975 I981 G995 L997 K1000 L1003 I1004 | L973-F975 HydrophobicContact CB-CD1 4.13Å; L973-F975 VanDerWaalsContact O-CD1 3.3Å; L973-F975 WeakPolarHBondContact O-CD1 3.13Å; L973-F975 WeakPolarHBondContact O-CE1 3.23Å; L973-I981 HydrophobicContact CD1-CD1 4.49Å; L973-I981 HydrophobicContact CD1-CG2 4.19Å; L973-G995 WeakPolarHBondContact CD1-O 3.25Å; L973-L997 HydrophobicContact CD1-CB 4.01Å; L973-L997 HydrophobicContact CD2-CB 4.35Å; L973-K1000 HydrophobicContact CD2-CB 3.9Å; L973-K1000 HydrophobicContact CD2-CD 4.05Å; L973-K1000 HydrophobicContact CD2-CG 3.94Å; L973-L1003 PolarHBondContact N-O 3.4Å; L973-I1004 HydrophobicContact CB-CG1 4.37Å; L973-I1004 HydrophobicContact CD1-CD1 4.07Å; L973-I1004 HydrophobicContact CD1-CG1 3.88Å |
| 974 | S | 94.8 | Very high | 91.6 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 49% | 0.49 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -88 | 135.9 | 163.6 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | C965 G967 | C965-S974 CarbonylContact O-C 3.57Å; C965-S974 WeakPolarHBondContact O-CA 3.5Å; G967-S974 PolarHBondContact N-OG 2.86Å |
| 975 | F | 95.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -155.4 | 153 | -175.6 | 52.7 | -101.6 | 0 | 0 | 0 | 112.8 | T961 Y963 A964 C965 L973 Q979 I981 L997 I1004 Y1008 | T961-F975 HydrophobicContact CG2-CB 4.06Å; T961-F975 HydrophobicContact CG2-CD1 4.41Å; T961-F975 HydrophobicContact CG2-CD2 3.26Å; T961-F975 HydrophobicContact CG2-CE2 3.66Å; T961-F975 HydrophobicContact CG2-CG 3.68Å; T961-F975 HydrophobicContact CG2-CZ 4.39Å; Y963-F975 WeakPolarHBondContact O-CD2 3.41Å; Y963-F975 WeakPolarHBondContact O-CE2 3.42Å; A964-F975 CarbonylContact C-O 3.56Å; A964-F975 WeakPolarHBondContact CA-O 3.5Å; C965-F975 HydrophobicContact CB-CD1 3.94Å; C965-F975 HydrophobicContact CB-CD2 3.8Å; C965-F975 HydrophobicContact CB-CE1 3.56Å; C965-F975 HydrophobicContact CB-CE2 3.43Å; C965-F975 VanDerWaalsContact CB-CE2 3.43Å; C965-F975 HydrophobicContact CB-CG 4.06Å; C965-F975 HydrophobicContact CB-CZ 3.31Å; C965-F975 PolarHBondContact N-O 2.76Å; C965-F975 PolarHBondContact O-N 3.43Å; L973-F975 HydrophobicContact CB-CD1 4.13Å; L973-F975 VanDerWaalsContact O-CD1 3.3Å; L973-F975 WeakPolarHBondContact O-CD1 3.13Å; L973-F975 WeakPolarHBondContact O-CE1 3.23Å; F975-Q979 VanDerWaalsContact CA-OE1 3.31Å; F975-I981 HydrophobicContact CD1-CD1 4.03Å; F975-I981 HydrophobicContact CE1-CD1 4.33Å; F975-I981 HydrophobicContact CG-CD1 4.39Å; F975-L997 HydrophobicContact CB-CD2 3.65Å; F975-I1004 HydrophobicContact CE1-CG2 3.88Å; F975-I1004 HydrophobicContact CZ-CG2 4.03Å; F975-Y1008 HydrophobicContact CE2-CD1 4.15Å; F975-Y1008 HydrophobicContact CZ-CD1 4.19Å |
| 976 | E | 93.9 | Very high | 91.6 | Very high | 116 Ų | 116 | 72.2 Ų | 72.2 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | trans | -97.6 | 160.8 | 173.3 | -70.6 | -62.7 | 157.9 | 0 | 0 | 111.1 | T961 Q979 | T961-E976 WeakPolarHBondContact CB-O 3.26Å; T961-E976 PolarHBondContact OG1-O 3.48Å; E976-Q979 HydrophobicContact CB-CG 4.2Å; E976-Q979 WeakPolarHBondContact O-CB 3.37Å; E976-Q979 WeakPolarHBondContact O-CG 3.39Å; E976-Q979 PolarHBondContact O-N 3.06Å | ||
| 977 | P | 93.3 | Very high | 91.6 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 147.3 | 174.7 | -21.1 | 31.6 | 0 | 0 | 0 | 113 | A964 Q979 | A964-P977 HydrophobicContact CB-CG 4.44Å; P977-Q979 PolarHBondContact O-N 2.71Å |
| 978 | N | 91.9 | Very high | 91.5 | Very high | 119 Ų | 119 | 73.9 Ų | 73.9 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 7.9 | -178.1 | -54.4 | -81.6 | 0 | 0 | 0 | 116.4 | T961 | T961-N978 PolarHBondContact O-N 3.1Å; T961-N978 PolarHBondContact OG1-N 2.77Å; T961-N978 VanDerWaalsContact OG1-N 3.12Å |
| 979 | Q | 94.7 | Very high | 91.6 | Very high | 63 Ų | 63 | 69.2 Ų | 69.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | trans | -70.2 | 152.6 | 167 | -69.3 | -176.1 | -20.2 | 0 | 0 | 111 | R960 T961 F975 E976 P977 | R960-Q979 WeakPolarHBondContact CA-O 3.32Å; T961-Q979 HydrophobicContact CG2-CB 4.46Å; T961-Q979 PolarHBondContact N-O 2.92Å; T961-Q979 PolarHBondContact OG1-N 3.09Å; T961-Q979 PolarHBondContact OG1-O 3.49Å; F975-Q979 VanDerWaalsContact CA-OE1 3.31Å; E976-Q979 HydrophobicContact CB-CG 4.2Å; E976-Q979 WeakPolarHBondContact O-CB 3.37Å; E976-Q979 WeakPolarHBondContact O-CG 3.39Å; E976-Q979 PolarHBondContact O-N 3.06Å; P977-Q979 PolarHBondContact O-N 2.71Å | ||
| 980 | I | 94.9 | Very high | 91.5 | Very high | 69 Ų | 69 | 72.5 Ų | 72.5 | 35% | 0.354 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.2 | -178.3 | -51.2 | -45 | 0 | 0 | 0 | 109.7 | R958 V959 R960 L1012 | R958-I980 HydrophobicContact CB-CG2 4.48Å; V959-I980 WeakPolarHBondContact O-CA 3.2Å; R960-I980 HydrophobicContact CB-CD1 3.98Å; R960-I980 HydrophobicContact CG-CD1 4.07Å; I980-L1012 HydrophobicContact CD1-CD1 3.82Å; I980-L1012 HydrophobicContact CG1-CD1 4.38Å; I980-L1012 HydrophobicContact CG2-CD1 3.82Å |
| 981 | I | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.4 | 175.5 | -50.3 | -178.4 | 0 | 0 | 0 | 108.5 | R958 V959 T961 L973 F975 V984 T996 L997 I1004 | R958-I981 WeakPolarHBondContact CA-O 3.38Å; V959-I981 HydrophobicContact CG2-CB 3.94Å; V959-I981 HydrophobicContact CG2-CG1 4.49Å; V959-I981 PolarHBondContact N-O 3.02Å; V959-I981 PolarHBondContact O-N 3.35Å; T961-I981 HydrophobicContact CG2-CD1 3.74Å; T961-I981 HydrophobicContact CG2-CG1 4.04Å; L973-I981 HydrophobicContact CD1-CD1 4.49Å; L973-I981 HydrophobicContact CD1-CG2 4.19Å; F975-I981 HydrophobicContact CD1-CD1 4.03Å; F975-I981 HydrophobicContact CE1-CD1 4.33Å; F975-I981 HydrophobicContact CG-CD1 4.39Å; I981-V984 HydrophobicContact CB-CG2 4.43Å; I981-V984 HydrophobicContact CG2-CG2 4.1Å; I981-T996 VanDerWaalsContact CG2-O 3.28Å; I981-T996 WeakPolarHBondContact CG2-O 3.34Å; I981-L997 HydrophobicContact CG1-CB 4.33Å; I981-L997 HydrophobicContact CG1-CD1 4.46Å; I981-L997 HydrophobicContact CG1-CD2 4.4Å; I981-L997 HydrophobicContact CG2-CB 4.45Å; I981-I1004 HydrophobicContact CD1-CD1 3.95Å; I981-I1004 HydrophobicContact CD1-CG1 4.01Å; I981-I1004 HydrophobicContact CD1-CG2 4.14Å; I981-I1004 HydrophobicContact CG2-CD1 3.73Å |
| 982 | T | 94.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 177.4 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 112 | R958 V984 G995 T996 | R958-T982 HydrophobicContact CG-CG2 4.25Å; T982-V984 WeakPolarHBondContact O-CG2 3.41Å; T982-V984 PolarHBondContact O-N 2.88Å; T982-G995 WeakPolarHBondContact O-CA 3.35Å; T982-T996 PolarHBondContact N-O 3.23Å; T982-T996 PolarHBondContact O-N 3.43Å; T982-T996 PolarHBondContact OG1-O 2.87Å |
| 983 | N | 92 | Very high | 92.1 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 43% | 0.433 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 30.5 | 176.2 | -51.3 | -22 | 0 | 0 | 0 | 114.1 | G955 A957 R985 T996 | G955-N983 CarbonylContact O-C 3.58Å; G955-N983 VanDerWaalsContact O-C 3.29Å; G955-N983 WeakPolarHBondContact O-CA 3.45Å; A957-N983 PolarHBondContact O-N 3.44Å; N983-R985 PolarHBondContact O-NH1 3.46Å; N983-R985 VanDerWaalsContact O-NH1 3.16Å; N983-T996 PolarHBondContact ND2-OG1 2.86Å |
| 984 | V | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 132.3 | -166 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | A957 V959 I981 T982 L993 Q994 | A957-V984 HydrophobicContact CB-CB 4.16Å; A957-V984 PolarHBondContact O-N 2.88Å; V959-V984 HydrophobicContact CG1-CB 4.46Å; V959-V984 HydrophobicContact CG1-CG1 4.16Å; V959-V984 HydrophobicContact CG1-CG2 4.25Å; V959-V984 HydrophobicContact CG2-CG2 4.08Å; I981-V984 HydrophobicContact CB-CG2 4.43Å; I981-V984 HydrophobicContact CG2-CG2 4.1Å; T982-V984 WeakPolarHBondContact O-CG2 3.41Å; T982-V984 PolarHBondContact O-N 2.88Å; V984-L993 HydrophobicContact CG1-CB 4.01Å; V984-L993 HydrophobicContact CG1-CD1 3.86Å; V984-L993 HydrophobicContact CG1-CG 4.46Å; V984-Q994 WeakPolarHBondContact CA-O 3.28Å |
| 985 | R | 92.5 | Very high | 92.2 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 33% | 0.325 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 166.7 | -180 | 57.8 | -178 | 170.9 | -84.6 | 8.6 | 110.6 | L952 N983 L993 Q994 | L952-R985 WeakPolarHBondContact O-CA 3.32Å; L952-R985 WeakPolarHBondContact O-CB 3.37Å; N983-R985 PolarHBondContact O-NH1 3.46Å; N983-R985 VanDerWaalsContact O-NH1 3.16Å; R985-L993 CarbonylContact O-C 3.5Å; R985-L993 WeakPolarHBondContact O-CA 3.36Å; R985-Q994 HydrophobicContact CG-CB 4.08Å; R985-Q994 WeakPolarHBondContact CG-O 3.39Å; R985-Q994 PolarHBondContact N-O 3.3Å; R985-Q994 VanDerWaalsContact NH2-CD 3.3Å; R985-Q994 PolarHBondContact O-N 3.26Å |
| 986 | Y | 91.9 | Very high | 92.2 | Very high | 106 Ų | 106 | 66.5 Ų | 66.5 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 143.5 | 169.8 | -62.2 | -76.8 | 0 | 0 | 0 | 111.2 | L952 L993 | L952-Y986 HydrophobicContact CB-CD2 4.04Å; L952-Y986 HydrophobicContact CB-CE2 3.62Å; L952-Y986 HydrophobicContact CD2-CD1 4.04Å; L952-Y986 HydrophobicContact CD2-CD2 4.26Å; L952-Y986 HydrophobicContact CD2-CE1 3.7Å; L952-Y986 HydrophobicContact CD2-CE2 3.93Å; L952-Y986 HydrophobicContact CD2-CG 4.31Å; L952-Y986 HydrophobicContact CG-CE2 4.43Å; Y986-L993 HydrophobicContact CD1-CD2 4.09Å |
| 987 | S | 90.8 | Very high | 92.2 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | trans | -79.3 | 170.7 | 164.8 | -171.1 | 0 | 0 | 0 | 0 | 111 | E989 W992 L1003 | S987-E989 PolarHBondContact OG-N 3.29Å; S987-E989 VanDerWaalsContact OG-N 3.14Å; S987-W992 WeakPolarHBondContact CB-O 3.31Å; S987-W992 PolarHBondContact N-O 3.17Å; S987-L1003 VanDerWaalsContact OG-CD2 3.27Å; S987-L1003 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 988 | H | 85.1 | Confident | 92 | Very high | 198 Ų | 198 | 66.4 Ų | 66.4 | 92% | 0.917 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -73.7 | -18.4 | 160.4 | -67.7 | -71.4 | 0 | 0 | 0 | 112.2 | ||
| 989 | E | 85.2 | Confident | 91.9 | Very high | 96 Ų | 96 | 64 Ų | 64 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -90.6 | 122.3 | 177.9 | -65.5 | 179.5 | 179.1 | 0 | 0 | 110.9 | S987 G991 W992 | S987-E989 PolarHBondContact OG-N 3.29Å; S987-E989 VanDerWaalsContact OG-N 3.14Å; E989-G991 PolarHBondContact O-N 2.88Å; E989-W992 HydrophobicContact CB-CB 4.21Å; E989-W992 HydrophobicContact CB-CG 4.24Å; E989-W992 PolarHBondContact O-N 3.5Å; E989-W992 VanDerWaalsContact O-N 3.14Å |
| 990 | P | 85 | Confident | 91.7 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 83% | 0.831 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 134.1 | 179.5 | -25.7 | 35.3 | 0 | 0 | 0 | 112.9 | W992 | P990-W992 VanDerWaalsContact C-N 3.28Š|
| 991 | G | 89 | Confident | 91.6 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 1.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E989 E1006 | E989-G991 PolarHBondContact O-N 2.88Å; G991-E1006 VanDerWaalsContact O-CB 3.25Å; G991-E1006 WeakPolarHBondContact O-CB 3.33Å; G991-E1006 PolarHBondContact O-N 2.86Å |
| 992 | W | 93.7 | Very high | 91.6 | Very high | 77 Ų | 77 | 65 Ų | 65 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144.1 | 172.8 | -65.2 | 88.7 | 0 | 0 | 0 | 111.9 | E972 S987 E989 P990 L1003 I1004 P1005 | E972-W992 HydrophobicContact CG-CH2 4.36Å; E972-W992 HydrophobicContact CG-CZ3 4.25Å; S987-W992 WeakPolarHBondContact CB-O 3.31Å; S987-W992 PolarHBondContact N-O 3.17Å; E989-W992 HydrophobicContact CB-CB 4.21Å; E989-W992 HydrophobicContact CB-CG 4.24Å; E989-W992 PolarHBondContact O-N 3.5Å; E989-W992 VanDerWaalsContact O-N 3.14Å; P990-W992 VanDerWaalsContact C-N 3.28Å; W992-L1003 HydrophobicContact CB-CD2 4.45Å; W992-L1003 HydrophobicContact CD2-CB 4.44Å; W992-L1003 HydrophobicContact CE3-CB 3.68Å; W992-L1003 HydrophobicContact CZ3-CB 3.99Å; W992-I1004 WeakPolarHBondContact CA-O 3.27Å; W992-I1004 VanDerWaalsContact CE3-C 3.42Å; W992-P1005 HydrophobicContact CE3-CG 4.18Å; W992-P1005 HydrophobicContact CH2-CG 4.19Å; W992-P1005 HydrophobicContact CZ3-CG 3.77Å |
| 993 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 153.7 | 167.5 | -58.4 | 179.5 | 0 | 0 | 0 | 109.1 | L952 V984 R985 Y986 L1003 I1004 E1006 V1009 | L952-L993 HydrophobicContact CD2-CD2 3.75Å; V984-L993 HydrophobicContact CG1-CB 4.01Å; V984-L993 HydrophobicContact CG1-CD1 3.86Å; V984-L993 HydrophobicContact CG1-CG 4.46Å; R985-L993 CarbonylContact O-C 3.5Å; R985-L993 WeakPolarHBondContact O-CA 3.36Å; Y986-L993 HydrophobicContact CD1-CD2 4.09Å; L993-L1003 CarbonylContact O-C 3.56Å; L993-L1003 WeakPolarHBondContact O-CA 3.21Å; L993-I1004 HydrophobicContact CB-CB 4.48Å; L993-I1004 PolarHBondContact N-O 2.92Å; L993-I1004 PolarHBondContact O-N 2.95Å; L993-E1006 HydrophobicContact CD1-CB 4.43Å; L993-E1006 HydrophobicContact CD1-CG 4.22Å; L993-E1006 HydrophobicContact CD2-CG 4.37Å; L993-E1006 HydrophobicContact CG-CB 4.08Å; L993-E1006 HydrophobicContact CG-CG 4.18Å; L993-V1009 HydrophobicContact CD1-CG2 4Å |
| 994 | Q | 94.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.5 | 169.5 | -162.5 | -178.2 | 38.7 | 0 | 0 | 109.2 | V984 R985 T1001 G1002 | V984-Q994 WeakPolarHBondContact CA-O 3.28Å; R985-Q994 HydrophobicContact CG-CB 4.08Å; R985-Q994 WeakPolarHBondContact CG-O 3.39Å; R985-Q994 PolarHBondContact N-O 3.3Å; R985-Q994 VanDerWaalsContact NH2-CD 3.3Å; R985-Q994 PolarHBondContact O-N 3.26Å; Q994-T1001 HydrophobicContact CG-CG2 4.22Å; Q994-G1002 WeakPolarHBondContact CA-O 3.49Å |
| 995 | G | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L973 T982 T1001 G1002 | L973-G995 WeakPolarHBondContact CD1-O 3.25Å; T982-G995 WeakPolarHBondContact O-CA 3.35Å; G995-T1001 VanDerWaalsContact O-CA 3.26Å; G995-T1001 WeakPolarHBondContact O-CA 3.44Å; G995-T1001 WeakPolarHBondContact O-CG2 3.49Å; G995-G1002 PolarHBondContact N-O 2.72Å; G995-G1002 VanDerWaalsContact N-O 3.08Å; G995-G1002 PolarHBondContact O-N 3.03Å |
| 996 | T | 95.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.3 | -176.2 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | I981 T982 N983 K1000 T1001 | I981-T996 VanDerWaalsContact CG2-O 3.28Å; I981-T996 WeakPolarHBondContact CG2-O 3.34Å; T982-T996 PolarHBondContact N-O 3.23Å; T982-T996 PolarHBondContact O-N 3.43Å; T982-T996 PolarHBondContact OG1-O 2.87Å; N983-T996 PolarHBondContact ND2-OG1 2.86Å; T996-K1000 CarbonylContact C-O 3.52Å; T996-K1000 VanDerWaalsContact CA-O 3.31Å; T996-K1000 WeakPolarHBondContact CA-O 3.41Å; T996-K1000 WeakPolarHBondContact CG2-O 3.27Å; T996-T1001 PolarHBondContact OG1-OG1 3.05Å |
| 997 | L | 94.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.1 | 174.2 | 179.1 | 64.8 | 0 | 0 | 0 | 109.3 | L973 F975 I981 G999 K1000 | L973-L997 HydrophobicContact CD1-CB 4.01Å; L973-L997 HydrophobicContact CD2-CB 4.35Å; F975-L997 HydrophobicContact CB-CD2 3.65Å; I981-L997 HydrophobicContact CG1-CB 4.33Å; I981-L997 HydrophobicContact CG1-CD1 4.46Å; I981-L997 HydrophobicContact CG1-CD2 4.4Å; I981-L997 HydrophobicContact CG2-CB 4.45Å; L997-G999 PolarHBondContact O-N 3.49Å; L997-K1000 PolarHBondContact N-O 2.88Å; L997-K1000 PolarHBondContact O-N 3.08Å; L997-K1000 VanDerWaalsContact O-O 3.12Å |
| 998 | N | 90.1 | Very high | 92.2 | Very high | 152 Ų | 152 | 63.6 Ų | 63.6 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 32.1 | -179.9 | -59.4 | -19 | 0 | 0 | 0 | 114.3 | K1000 | N998-K1000 VanDerWaalsContact C-N 3.3Å; N998-K1000 PolarHBondContact O-N 3.04Å |
| 999 | G | 88.8 | Confident | 92.6 | Very high | 68 Ų | 68 | 54.9 Ų | 54.9 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.3 | -23.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L997 | L997-G999 PolarHBondContact O-N 3.49Š|
| 1000 | K | 91 | Very high | 93 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 39% | 0.391 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 139.9 | 170.7 | -165.5 | -177.2 | -179.4 | -160.6 | 0 | 109.4 | E970 E972 L973 T996 L997 N998 | E970-K1000 WeakPolarHBondContact O-CE 3.49Å; E970-K1000 PolarHBondContact O-NZ 3.46Å; E972-K1000 PolarHBondContact O-NZ 3.01Å; L973-K1000 HydrophobicContact CD2-CB 3.9Å; L973-K1000 HydrophobicContact CD2-CD 4.05Å; L973-K1000 HydrophobicContact CD2-CG 3.94Å; T996-K1000 CarbonylContact C-O 3.52Å; T996-K1000 VanDerWaalsContact CA-O 3.31Å; T996-K1000 WeakPolarHBondContact CA-O 3.41Å; T996-K1000 WeakPolarHBondContact CG2-O 3.27Å; L997-K1000 PolarHBondContact N-O 2.88Å; L997-K1000 PolarHBondContact O-N 3.08Å; L997-K1000 VanDerWaalsContact O-O 3.12Å; N998-K1000 VanDerWaalsContact C-N 3.3Å; N998-K1000 PolarHBondContact O-N 3.04Å |
| 1001 | T | 93.7 | Very high | 93.2 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.8 | 170.3 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | Q994 G995 T996 | Q994-T1001 HydrophobicContact CG-CG2 4.22Å; G995-T1001 VanDerWaalsContact O-CA 3.26Å; G995-T1001 WeakPolarHBondContact O-CA 3.44Å; G995-T1001 WeakPolarHBondContact O-CG2 3.49Å; T996-T1001 PolarHBondContact OG1-OG1 3.05Å |
| 1002 | G | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | -177.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | G971 Q994 G995 | G971-G1002 CarbonylContact O-C 3.57Å; G971-G1002 WeakPolarHBondContact O-CA 3.27Å; Q994-G1002 WeakPolarHBondContact CA-O 3.49Å; G995-G1002 PolarHBondContact N-O 2.72Å; G995-G1002 VanDerWaalsContact N-O 3.08Å; G995-G1002 PolarHBondContact O-N 3.03Å |
| 1003 | L | 95.5 | Very high | 92.1 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.157 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 145.7 | 179.4 | -63.3 | 176.7 | 0 | 0 | 0 | 112.3 | G971 E972 L973 S987 W992 L993 | G971-L1003 PolarHBondContact O-N 2.84Å; E972-L1003 HydrophobicContact CG-CB 4.18Å; L973-L1003 PolarHBondContact N-O 3.4Å; S987-L1003 VanDerWaalsContact OG-CD2 3.27Å; S987-L1003 WeakPolarHBondContact OG-CD2 3.32Å; W992-L1003 HydrophobicContact CB-CD2 4.45Å; W992-L1003 HydrophobicContact CD2-CB 4.44Å; W992-L1003 HydrophobicContact CE3-CB 3.68Å; W992-L1003 HydrophobicContact CZ3-CB 3.99Å; L993-L1003 CarbonylContact O-C 3.56Å; L993-L1003 WeakPolarHBondContact O-CA 3.21Å |
| 1004 | I | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 129.1 | -174.4 | -53.3 | 149.5 | 0 | 0 | 0 | 107.9 | L973 F975 I981 W992 L993 E1006 V1009 | L973-I1004 HydrophobicContact CB-CG1 4.37Å; L973-I1004 HydrophobicContact CD1-CD1 4.07Å; L973-I1004 HydrophobicContact CD1-CG1 3.88Å; F975-I1004 HydrophobicContact CE1-CG2 3.88Å; F975-I1004 HydrophobicContact CZ-CG2 4.03Å; I981-I1004 HydrophobicContact CD1-CD1 3.95Å; I981-I1004 HydrophobicContact CD1-CG1 4.01Å; I981-I1004 HydrophobicContact CD1-CG2 4.14Å; I981-I1004 HydrophobicContact CG2-CD1 3.73Å; W992-I1004 WeakPolarHBondContact CA-O 3.27Å; W992-I1004 VanDerWaalsContact CE3-C 3.42Å; L993-I1004 HydrophobicContact CB-CB 4.48Å; L993-I1004 PolarHBondContact N-O 2.92Å; L993-I1004 PolarHBondContact O-N 2.95Å; I1004-E1006 PolarHBondContact O-N 2.95Å; I1004-V1009 HydrophobicContact CG2-CG1 3.62Å |
| 1005 | P | 93.9 | Very high | 88.1 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.104 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 128.7 | 173.9 | -20.1 | 32 | 0 | 0 | 0 | 111.2 | W992 N1007 Y1008 | W992-P1005 HydrophobicContact CE3-CG 4.18Å; W992-P1005 HydrophobicContact CH2-CG 4.19Å; W992-P1005 HydrophobicContact CZ3-CG 3.77Å; P1005-N1007 VanDerWaalsContact CB-OD1 3.23Å; P1005-N1007 WeakPolarHBondContact CB-OD1 3.4Å; P1005-N1007 PolarHBondContact O-N 3.2Å; P1005-Y1008 HydrophobicContact CB-CD2 3.79Å; P1005-Y1008 HydrophobicContact CB-CE2 4.47Å; P1005-Y1008 HydrophobicContact CB-CG 3.98Å; P1005-Y1008 HydrophobicContact CG-CD2 4.25Å; P1005-Y1008 HydrophobicContact CG-CG 4.15Å; P1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; P1005-Y1008 PolarHBondContact O-N 3.21Å |
| 1006 | E | 93.5 | Very high | 85.2 | Confident | 81 Ų | 81 | 74.2 Ų | 74.2 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -60.7 | -33.7 | -177.2 | -176.1 | 175.3 | -159.1 | 0 | 0 | 111.9 | G991 L993 I1004 Y1008 V1009 | G991-E1006 VanDerWaalsContact O-CB 3.25Å; G991-E1006 WeakPolarHBondContact O-CB 3.33Å; G991-E1006 PolarHBondContact O-N 2.86Å; L993-E1006 HydrophobicContact CD1-CB 4.43Å; L993-E1006 HydrophobicContact CD1-CG 4.22Å; L993-E1006 HydrophobicContact CD2-CG 4.37Å; L993-E1006 HydrophobicContact CG-CB 4.08Å; L993-E1006 HydrophobicContact CG-CG 4.18Å; I1004-E1006 PolarHBondContact O-N 2.95Å; E1006-Y1008 VanDerWaalsContact C-N 3.29Å; E1006-Y1008 PolarHBondContact O-N 3.14Å; E1006-V1009 WeakPolarHBondContact O-CG2 3.11Å |
| 1007 | N | 93.2 | Very high | 84.7 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -76.6 | -6.3 | 176.5 | 63 | -27.6 | 0 | 0 | 0 | 114.7 | P1005 | P1005-N1007 VanDerWaalsContact CB-OD1 3.23Å; P1005-N1007 WeakPolarHBondContact CB-OD1 3.4Å; P1005-N1007 PolarHBondContact O-N 3.2Å |
| 1008 | Y | 95.4 | Very high | 84.2 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -93.8 | 1.8 | 178.7 | -85.9 | -134.2 | 0 | 0 | 0 | 113 | L962 Y963 A964 C965 F975 P1005 E1006 | L962-Y1008 PolarHBondContact N-O 3.11Å; Y963-Y1008 HydrophobicContact CD2-CD1 4.3Å; Y963-Y1008 HydrophobicContact CD2-CD2 4.19Å; Y963-Y1008 HydrophobicContact CD2-CG 4.07Å; A964-Y1008 WeakPolarHBondContact O-CE1 3.47Å; C965-Y1008 HydrophobicContact CB-CD1 4.18Å; C965-Y1008 HydrophobicContact CB-CE1 4.37Å; F975-Y1008 HydrophobicContact CE2-CD1 4.15Å; F975-Y1008 HydrophobicContact CZ-CD1 4.19Å; P1005-Y1008 HydrophobicContact CB-CD2 3.79Å; P1005-Y1008 HydrophobicContact CB-CE2 4.47Å; P1005-Y1008 HydrophobicContact CB-CG 3.98Å; P1005-Y1008 HydrophobicContact CG-CD2 4.25Å; P1005-Y1008 HydrophobicContact CG-CG 4.15Å; P1005-Y1008 WeakPolarHBondContact O-CB 3.42Å; P1005-Y1008 PolarHBondContact O-N 3.21Å; E1006-Y1008 VanDerWaalsContact C-N 3.29Å; E1006-Y1008 PolarHBondContact O-N 3.14Å |
| 1009 | V | 94.4 | Very high | 83.9 | Confident | 16 Ų | 16 | 76.2 Ų | 76.2 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155 | -169.7 | -60 | 0 | 0 | 0 | 0 | 114.5 | V959 R960 T961 L993 I1004 E1006 | V959-V1009 HydrophobicContact CB-CB 3.85Å; V959-V1009 HydrophobicContact CB-CG1 4.48Å; V959-V1009 HydrophobicContact CB-CG2 4.1Å; V959-V1009 HydrophobicContact CG1-CB 4.5Å; V959-V1009 HydrophobicContact CG1-CG2 4.21Å; V959-V1009 HydrophobicContact CG2-CB 3.66Å; V959-V1009 HydrophobicContact CG2-CG1 3.75Å; V959-V1009 HydrophobicContact CG2-CG2 3.97Å; R960-V1009 CarbonylContact O-C 3.29Å; R960-V1009 VanDerWaalsContact O-CA 3.25Å; R960-V1009 WeakPolarHBondContact O-CA 3.34Å; T961-V1009 HydrophobicContact CG2-CG1 4.31Å; L993-V1009 HydrophobicContact CD1-CG2 4Å; I1004-V1009 HydrophobicContact CG2-CG1 3.62Å; E1006-V1009 WeakPolarHBondContact O-CG2 3.11Å |
| 1010 | E | 93.1 | Very high | 83.6 | Confident | 90 Ų | 90 | 76.6 Ų | 76.6 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.9 | 175.7 | 179.1 | -171.5 | -149.4 | 0 | 0 | 110.4 | V959 R960 L962 L1012 | V959-E1010 CarbonylContact C-O 3.48Å; V959-E1010 WeakPolarHBondContact CA-O 3.26Å; V959-E1010 WeakPolarHBondContact CB-O 3.34Å; R960-E1010 IonicContact CZ-OE2 2.8Å; R960-E1010 PolarHBondContact N-O 2.84Å; R960-E1010 IonicContact NH1-OE2 2.65Å; R960-E1010 PolarHBondContact NH1-OE2 3.15Å; R960-E1010 PolarHBondContact O-N 3.39Å; L962-E1010 HydrophobicContact CD1-CB 4.41Å; L962-E1010 HydrophobicContact CD2-CB 4.05Å; L962-E1010 HydrophobicContact CG-CB 4.32Å; E1010-L1012 PolarHBondContact O-N 3.02Å |
| 1011 | H | 89.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 27% | 0.269 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 122.2 | 176.3 | -65.1 | -65.4 | 0 | 0 | 0 | 112.5 | I948 L952 V959 K1013 | I948-H1011 HydrophobicContact CD1-CB 4.31Å; I948-H1011 HydrophobicContact CG1-CB 4.36Å; I948-H1011 HydrophobicContact CG2-CB 4.45Å; L952-H1011 WeakPolarHBondContact CD1-CE1 3.16Å; V959-H1011 WeakPolarHBondContact CG1-ND1 3.19Å; H1011-K1013 PolarHBondContact O-N 2.95Å |
| 1012 | L | 84.8 | Confident | 82.4 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.188 | 37% | 0.373 | C | S | . | . | trans | -80.1 | 113.6 | 174.2 | -70.3 | 178.3 | 0 | 0 | 0 | 110.3 | R958 R960 I980 E1010 | R958-L1012 HydrophobicContact CB-CB 4.45Å; R958-L1012 HydrophobicContact CB-CD1 4.4Å; R958-L1012 PolarHBondContact O-N 3.03Å; R960-L1012 HydrophobicContact CB-CD2 4.08Å; R960-L1012 HydrophobicContact CB-CG 4.24Å; I980-L1012 HydrophobicContact CD1-CD1 3.82Å; I980-L1012 HydrophobicContact CG1-CD1 4.38Å; I980-L1012 HydrophobicContact CG2-CD1 3.82Å; E1010-L1012 PolarHBondContact O-N 3.02Å | ||
| 1013 | K | 74.1 | Confident | 81.6 | Confident | 115 Ų | 115 | 82.1 Ų | 82.1 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 137.3 | 169 | -65.3 | -164.2 | 177 | -157.6 | 0 | 110.7 | D944 H1011 H1015 | D944-K1013 WeakPolarHBondContact OD1-CE 3.4Å; D944-K1013 IonicContact OD1-NZ 3.89Å; D944-K1013 PolarHBondContact OD1-NZ 3.38Å; D944-K1013 IonicContact OD2-NZ 2.86Å; D944-K1013 PolarHBondContact OD2-NZ 2.97Å; H1011-K1013 PolarHBondContact O-N 2.95Å; K1013-H1015 PolarHBondContact O-N 2.94Å; K1013-H1015 PolarHBondContact O-ND1 3.23Å |
| 1014 | P | 59.1 | Low | 80.5 | Confident | 82 Ų | 82 | 86.2 Ų | 86.2 | 53% | 0.532 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -52.3 | 131.3 | 166.1 | -24.2 | 33.8 | 0 | 0 | 0 | 109.9 | ||
| 1015 | H | 45.2 | Very low | 79.3 | Confident | 175 Ų | 175 | 93.3 Ų | 93.3 | 81% | 0.81 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -84 | 129.3 | 165.4 | -70.8 | 25.3 | 0 | 0 | 0 | 107.1 | K1013 | K1013-H1015 PolarHBondContact O-N 2.94Å; K1013-H1015 PolarHBondContact O-ND1 3.23Å |
| 1016 | H | 34.7 | Very low | 77.9 | Confident | 256 Ų | 256 | 100.4 Ų | 100.4 | 100% | 1.185 | 48% | 0.483 | S | S | * | . | trans | -106.3 | 0 | 170.8 | -97 | -62.1 | 0 | 0 | 0 | 108.9 |
Retrieved 1,016 of 1,016 residues in 897.1 ms
(Link to these results)