| 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 | 30.9 | Very low | 41.9 | Very low | 243 Ų | 243 | 78.9 Ų | 78.9 | 100% | 1.197 | 44% | 0.444 | S | S | * | . | 0 | 84.7 | 0 | -67.3 | 166.9 | 106.2 | 0 | 0 | 105.6 | |||||
| 2 | S | 32.2 | Very low | 44.2 | Very low | 117 Ų | 117 | 83.8 Ų | 83.8 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 129.2 | 172.7 | -65.1 | 0 | 0 | 0 | 0 | 106.3 | ||
| 3 | P | 36.5 | Very low | 47.3 | Very low | 76 Ų | 76 | 78.1 Ų | 78.1 | 49% | 0.494 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 139.8 | 174.9 | 28.1 | -31.3 | 0 | 0 | 0 | 109.4 | K5 T24 | P3-K5 PolarHBondContact O-N 3.24Å; P3-T24 HydrophobicContact CB-CG2 4.08Å; P3-T24 WeakPolarHBondContact CB-OG1 2.82Å; P3-T24 HydrophobicContact CG-CG2 4.32Å |
| 4 | G | 35.5 | Very low | 49.9 | Very low | 43 Ų | 43 | 78.8 Ų | 78.8 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 128.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 5 | K | 42.5 | Very low | 52.5 | Low | 155 Ų | 155 | 74 Ų | 74 | 67% | 0.674 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -90.2 | 4.3 | -179.4 | -84.4 | -165.3 | 168.7 | -162.7 | 0 | 113.6 | P3 N9 | P3-K5 PolarHBondContact O-N 3.24Å; K5-N9 PolarHBondContact O-ND2 3.18Å |
| 6 | G | 36.6 | Very low | 54.6 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -115.1 | -27.9 | -153 | 0 | 0 | 0 | 0 | 0 | 120.3 | D213 | G6-D213 WeakPolarHBondContact CA-OD2 3.5Š|
| 7 | G | 40 | Very low | 56.7 | Low | 17 Ų | 17 | 75.4 Ų | 75.4 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -93 | -21 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 8 | L | 44.4 | Very low | 58.7 | Low | 37 Ų | 37 | 71.3 Ų | 71.3 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -110.9 | -9.9 | -169.3 | -68.8 | 174.4 | 0 | 0 | 0 | 115.2 | E10 Y11 E16 L19 K20 | L8-E10 PolarHBondContact O-N 2.72Å; L8-E10 VanDerWaalsContact O-N 3.08Å; L8-Y11 PolarHBondContact O-N 3.44Å; L8-E16 HydrophobicContact CB-CG 4.45Å; L8-L19 HydrophobicContact CD1-CD2 3.88Å; L8-L19 HydrophobicContact CD1-CG 4.46Å; L8-K20 HydrophobicContact CD1-CG 4.32Å |
| 9 | N | 48.2 | Very low | 60.5 | Low | 82 Ų | 82 | 68.4 Ų | 68.4 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -16.7 | -168.7 | -58.9 | -16.8 | 0 | 0 | 0 | 113.5 | K5 Y11 E16 K20 | K5-N9 PolarHBondContact O-ND2 3.18Å; N9-Y11 VanDerWaalsContact C-N 3.29Å; N9-E16 PolarHBondContact OD1-OE1 3.1Å; N9-K20 PolarHBondContact OD1-NZ 3Å |
| 10 | E | 52.1 | Low | 61.9 | Low | 60 Ų | 60 | 68.2 Ų | 68.2 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -26.5 | 175.2 | -169.4 | -176.4 | -164.9 | 0 | 0 | 112.5 | L8 R125 R246 | L8-E10 PolarHBondContact O-N 2.72Å; L8-E10 VanDerWaalsContact O-N 3.08Å; E10-R125 IonicContact OE1-CZ 2.68Å; E10-R125 IonicContact OE1-NH1 3.15Å; E10-R125 PolarHBondContact OE1-NH1 2.84Å; E10-R125 IonicContact OE1-NH2 2.82Å; E10-R125 PolarHBondContact OE1-NH2 3.31Å; E10-R246 IonicContact OE1-CZ 3.71Å; E10-R246 IonicContact OE1-NH1 3.29Å; E10-R246 PolarHBondContact OE1-NH1 3.45Å; E10-R246 IonicContact OE1-NH2 3.26Å; E10-R246 PolarHBondContact OE1-NH2 3.11Å; E10-R246 IonicContact OE2-CZ 3.7Å; E10-R246 IonicContact OE2-NE 3.2Å; E10-R246 IonicContact OE2-NH1 2.95Å; E10-R246 PolarHBondContact OE2-NH1 2.92Å; E10-R246 VanDerWaalsContact OE2-NH1 3.1Å; E10-R246 IonicContact OE2-NH2 2.87Å; E10-R246 PolarHBondContact OE2-NH2 3.33Å |
| 11 | Y | 61.9 | Low | 63.4 | Low | 35 Ų | 35 | 67.7 Ų | 67.7 | 14% | 0.137 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -104.5 | 90.4 | -178.7 | -59 | -72.3 | 0 | 0 | 0 | 107 | L8 N9 L13 L118 M121 | L8-Y11 PolarHBondContact O-N 3.44Å; N9-Y11 VanDerWaalsContact C-N 3.29Å; Y11-L13 PolarHBondContact O-N 2.95Å; Y11-L118 VanDerWaalsContact CB-CD2 3.46Å; Y11-L118 HydrophobicContact CD1-CD2 3.47Å; Y11-L118 VanDerWaalsContact CD1-CD2 3.47Å; Y11-L118 HydrophobicContact CD2-CD2 3.54Å; Y11-L118 HydrophobicContact CE1-CD2 4.05Å; Y11-L118 HydrophobicContact CE2-CD2 4.12Å; Y11-L118 HydrophobicContact CG-CD2 3.18Å; Y11-M121 HydrophobicContact CD1-CB 4.36Å; Y11-M121 HydrophobicContact CD1-CE 3.82Å; Y11-M121 HydrophobicContact CD1-SD 4.28Å; Y11-M121 HydrophobicContact CG-CE 4.16Å |
| 12 | N | 69.4 | Low | 66.4 | Low | 137 Ų | 137 | 56.2 Ų | 56.2 | 73% | 0.733 | 30% | 0.297 | S | S | * | . | trans | -67.2 | 62.1 | -179.3 | -171.3 | 8.8 | 0 | 0 | 0 | 111.6 | ||||
| 13 | L | 84.2 | Confident | 69.1 | Low | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | trans | -69.3 | 129.4 | 178.9 | -68.4 | 173.8 | 0 | 0 | 0 | 108.2 | Y11 Y15 E16 L19 T114 D117 L118 M121 | Y11-L13 PolarHBondContact O-N 2.95Å; L13-Y15 HydrophobicContact CD1-CE2 4.23Å; L13-Y15 PolarHBondContact O-N 3.47Å; L13-E16 HydrophobicContact CB-CB 4.16Å; L13-E16 WeakPolarHBondContact O-CB 3.3Å; L13-E16 PolarHBondContact O-N 3.47Å; L13-L19 HydrophobicContact CD1-CD2 4.34Å; L13-T114 HydrophobicContact CD1-CG2 3.93Å; L13-D117 HydrophobicContact CD2-CB 3.53Å; L13-L118 HydrophobicContact CD1-CD2 4.41Å; L13-M121 HydrophobicContact CD2-CE 3.38Å; L13-M121 HydrophobicContact CG-CE 4Å | ||
| 14 | E | 83.7 | Confident | 71.7 | Confident | 88 Ų | 88 | 51.4 Ų | 51.4 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31 | -178.4 | -63.4 | -176.3 | 165.8 | 0 | 0 | 112.2 | R74 Y91 | E14-R74 PolarHBondContact O-NH1 2.96Å; E14-R74 PolarHBondContact O-NH2 2.78Å; E14-Y91 WeakPolarHBondContact OE1-CE1 3.39Å; E14-Y91 WeakPolarHBondContact OE2-CD1 3.31Å; E14-Y91 WeakPolarHBondContact OE2-CE1 3.47Å |
| 15 | Y | 88.8 | Confident | 74.5 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 17.7 | 178.9 | 54.4 | -91.7 | 0 | 0 | 0 | 113.8 | L13 R17 Y18 L19 H94 L110 K113 T114 D117 | L13-Y15 HydrophobicContact CD1-CE2 4.23Å; L13-Y15 PolarHBondContact O-N 3.47Å; Y15-R17 VanDerWaalsContact C-N 3.27Å; Y15-R17 PolarHBondContact O-N 3.5Å; Y15-Y18 WeakPolarHBondContact O-CA 3.18Å; Y15-Y18 WeakPolarHBondContact O-CB 3.39Å; Y15-Y18 PolarHBondContact O-N 2.93Å; Y15-L19 HydrophobicContact CD2-CB 4.39Å; Y15-L19 PolarHBondContact O-N 3.02Å; Y15-H94 VanDerWaalsContact CB-CD2 3.48Å; Y15-H94 WeakPolarHBondContact CB-CD2 3.48Å; Y15-H94 WeakPolarHBondContact CB-NE2 3.43Å; Y15-H94 HydrophobicContact CD1-CB 4.12Å; Y15-H94 AromaticContact CD1-CG 3.88Å; Y15-H94 AromaticContact CD1-ND1 3.97Å; Y15-H94 HydrophobicContact CD2-CB 4.32Å; Y15-H94 HydrophobicContact CE1-CB 4.28Å; Y15-H94 HydrophobicContact CE2-CB 4.45Å; Y15-H94 HydrophobicContact CG-CB 4.15Å; Y15-H94 AromaticContact CG-CD2 3.68Å; Y15-H94 AromaticContact CG-CG 3.8Å; Y15-L110 HydrophobicContact CD2-CD1 3.76Å; Y15-L110 HydrophobicContact CE2-CD1 3.94Å; Y15-K113 HydrophobicContact CE1-CG 3.99Å; Y15-K113 VanDerWaalsContact OH-C 3.25Å; Y15-K113 PolarHBondContact OH-O 3.37Å; Y15-T114 WeakPolarHBondContact CE2-OG1 3.5Å; Y15-T114 WeakPolarHBondContact OH-CA 3.44Å; Y15-T114 PolarHBondContact OH-N 3.38Å; Y15-D117 VanDerWaalsContact CE1-OD2 3.27Å; Y15-D117 WeakPolarHBondContact CE1-OD2 3.34Å; Y15-D117 PolarHBondContact OH-OD2 3.22Å |
| 16 | E | 87.4 | Confident | 76.9 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52 | -44.2 | -178.3 | -171.2 | -164 | 174 | 0 | 0 | 112.5 | L8 N9 L13 Y18 L19 K20 | L8-E16 HydrophobicContact CB-CG 4.45Å; N9-E16 PolarHBondContact OD1-OE1 3.1Å; L13-E16 HydrophobicContact CB-CB 4.16Å; L13-E16 WeakPolarHBondContact O-CB 3.3Å; L13-E16 PolarHBondContact O-N 3.47Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 3.43Å; E16-L19 WeakPolarHBondContact O-CB 3.35Å; E16-L19 PolarHBondContact O-N 2.88Å; E16-K20 HydrophobicContact CG-CD 4.27Å; E16-K20 WeakPolarHBondContact O-CB 3.43Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 2.85Å; E16-K20 WeakPolarHBondContact OE1-CE 2.97Å; E16-K20 IonicContact OE1-NZ 3.61Å; E16-K20 PolarHBondContact OE1-NZ 2.7Å |
| 17 | R | 90.3 | Very high | 79.4 | Confident | 138 Ų | 138 | 46.1 Ų | 46.1 | 52% | 0.521 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.4 | -45.9 | 176.4 | 178.3 | 179 | 168.7 | -113.5 | -11.6 | 111.8 | Y15 K20 E21 | Y15-R17 VanDerWaalsContact C-N 3.27Å; Y15-R17 PolarHBondContact O-N 3.5Å; R17-K20 PolarHBondContact O-N 2.91Å; R17-E21 IonicContact CZ-OE1 2.71Å; R17-E21 IonicContact NE-OE1 3.84Å; R17-E21 PolarHBondContact NE-OE1 3.28Å; R17-E21 IonicContact NH2-OE1 3.01Å; R17-E21 PolarHBondContact NH2-OE1 3.4Å; R17-E21 IonicContact NH2-OE2 3.18Å; R17-E21 WeakPolarHBondContact O-CB 3.46Å; R17-E21 WeakPolarHBondContact O-CG 3.38Å; R17-E21 PolarHBondContact O-N 2.96Å |
| 18 | Y | 92.6 | Very high | 81.9 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 178.7 | 169 | -109.2 | 0 | 0 | 0 | 111 | Y15 E16 E21 V22 I67 E71 H94 L95 F102 L110 | Y15-Y18 WeakPolarHBondContact O-CA 3.18Å; Y15-Y18 WeakPolarHBondContact O-CB 3.39Å; Y15-Y18 PolarHBondContact O-N 2.93Å; E16-Y18 VanDerWaalsContact C-N 3.34Å; E16-Y18 PolarHBondContact O-N 3.43Å; Y18-E21 PolarHBondContact O-N 3.18Å; Y18-V22 HydrophobicContact CD2-CG2 4.01Å; Y18-V22 HydrophobicContact CE1-CG2 4.28Å; Y18-V22 HydrophobicContact CE2-CG2 3.65Å; Y18-V22 HydrophobicContact CG-CG2 4.48Å; Y18-V22 WeakPolarHBondContact O-CB 3.37Å; Y18-V22 VanDerWaalsContact O-CG2 3.31Å; Y18-V22 WeakPolarHBondContact O-CG2 3.14Å; Y18-V22 PolarHBondContact O-N 2.91Å; Y18-I67 HydrophobicContact CD2-CG2 3.62Å; Y18-I67 HydrophobicContact CE2-CG2 3.81Å; Y18-E71 HydrophobicContact CD1-CG 4.18Å; Y18-E71 HydrophobicContact CD2-CB 3.46Å; Y18-E71 VanDerWaalsContact CD2-CB 3.46Å; Y18-E71 HydrophobicContact CD2-CG 3.74Å; Y18-E71 HydrophobicContact CE2-CB 3.88Å; Y18-E71 HydrophobicContact CE2-CG 4.22Å; Y18-E71 HydrophobicContact CG-CB 3.96Å; Y18-E71 HydrophobicContact CG-CG 3.69Å; Y18-H94 AromaticContact CD1-CD2 3.57Å; Y18-H94 AromaticContact CE1-CD2 3.74Å; Y18-L95 HydrophobicContact CE1-CB 4.5Å; Y18-L95 HydrophobicContact CE1-CD2 4.35Å; Y18-F102 VanDerWaalsContact OH-CE2 3.3Å; Y18-F102 WeakPolarHBondContact OH-CE2 3.3Å; Y18-L110 HydrophobicContact CD1-CD1 3.86Å; Y18-L110 HydrophobicContact CD1-CD2 4.23Å; Y18-L110 HydrophobicContact CE1-CD1 3.84Å; Y18-L110 HydrophobicContact CE1-CD2 3.83Å; Y18-L110 HydrophobicContact CE1-CG 4.31Å |
| 19 | L | 91.6 | Very high | 84.2 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56 | -53.1 | 174.8 | 177.4 | 62.4 | 0 | 0 | 0 | 111.4 | L8 L13 Y15 E16 E21 V22 V23 L110 T114 | L8-L19 HydrophobicContact CD1-CD2 3.88Å; L8-L19 HydrophobicContact CD1-CG 4.46Å; L13-L19 HydrophobicContact CD1-CD2 4.34Å; Y15-L19 HydrophobicContact CD2-CB 4.39Å; Y15-L19 PolarHBondContact O-N 3.02Å; E16-L19 WeakPolarHBondContact O-CB 3.35Å; E16-L19 PolarHBondContact O-N 2.88Å; L19-E21 VanDerWaalsContact C-N 3.35Å; L19-E21 PolarHBondContact O-N 3.45Å; L19-V22 PolarHBondContact O-N 2.94Å; L19-V23 HydrophobicContact CD1-CG2 4.16Å; L19-V23 WeakPolarHBondContact O-CG2 3.29Å; L19-V23 PolarHBondContact O-N 3.41Å; L19-L110 HydrophobicContact CB-CD1 4.32Å; L19-L110 HydrophobicContact CD1-CD1 4.04Å; L19-L110 HydrophobicContact CD1-CD2 3.87Å; L19-L110 HydrophobicContact CD1-CG 3.84Å; L19-T114 HydrophobicContact CD2-CG2 3.75Å |
| 20 | K | 89.2 | Confident | 86.2 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.3 | -77.1 | 176.8 | 168.6 | 168.5 | 0 | 112.4 | L8 N9 E16 R17 T24 | L8-K20 HydrophobicContact CD1-CG 4.32Å; N9-K20 PolarHBondContact OD1-NZ 3Å; E16-K20 HydrophobicContact CG-CD 4.27Å; E16-K20 WeakPolarHBondContact O-CB 3.43Å; E16-K20 WeakPolarHBondContact O-CG 3.48Å; E16-K20 PolarHBondContact O-N 2.85Å; E16-K20 WeakPolarHBondContact OE1-CE 2.97Å; E16-K20 IonicContact OE1-NZ 3.61Å; E16-K20 PolarHBondContact OE1-NZ 2.7Å; R17-K20 PolarHBondContact O-N 2.91Å; K20-T24 VanDerWaalsContact O-CB 3.31Å; K20-T24 WeakPolarHBondContact O-CB 3.4Å; K20-T24 PolarHBondContact O-N 2.96Å; K20-T24 PolarHBondContact O-OG1 3.34Å |
| 21 | E | 93.7 | Very high | 88 | Confident | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 178.8 | -74.8 | -179 | 179.5 | 0 | 0 | 112.3 | R17 Y18 L19 A25 I67 | R17-E21 IonicContact CZ-OE1 2.71Å; R17-E21 IonicContact NE-OE1 3.84Å; R17-E21 PolarHBondContact NE-OE1 3.28Å; R17-E21 IonicContact NH2-OE1 3.01Å; R17-E21 PolarHBondContact NH2-OE1 3.4Å; R17-E21 IonicContact NH2-OE2 3.18Å; R17-E21 WeakPolarHBondContact O-CB 3.46Å; R17-E21 WeakPolarHBondContact O-CG 3.38Å; R17-E21 PolarHBondContact O-N 2.96Å; Y18-E21 PolarHBondContact O-N 3.18Å; L19-E21 VanDerWaalsContact C-N 3.35Å; L19-E21 PolarHBondContact O-N 3.45Å; E21-A25 WeakPolarHBondContact O-CB 2.81Å; E21-A25 PolarHBondContact O-N 2.9Å; E21-I67 HydrophobicContact CB-CD1 4.09Å; E21-I67 HydrophobicContact CB-CG1 4.17Å; E21-I67 HydrophobicContact CB-CG2 3.8Å; E21-I67 WeakPolarHBondContact O-CD1 3.38Å |
| 22 | V | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 175.6 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | Y18 L19 T24 A25 L26 L64 I67 F102 L107 L110 | Y18-V22 HydrophobicContact CD2-CG2 4.01Å; Y18-V22 HydrophobicContact CE1-CG2 4.28Å; Y18-V22 HydrophobicContact CE2-CG2 3.65Å; Y18-V22 HydrophobicContact CG-CG2 4.48Å; Y18-V22 WeakPolarHBondContact O-CB 3.37Å; Y18-V22 VanDerWaalsContact O-CG2 3.31Å; Y18-V22 WeakPolarHBondContact O-CG2 3.14Å; Y18-V22 PolarHBondContact O-N 2.91Å; L19-V22 PolarHBondContact O-N 2.94Å; V22-T24 PolarHBondContact O-N 3.41Å; V22-A25 PolarHBondContact O-N 3.29Å; V22-L26 HydrophobicContact CG1-CD1 3.81Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.8Å; V22-L64 HydrophobicContact CB-CD2 4.38Å; V22-L64 HydrophobicContact CG1-CD2 3.99Å; V22-L64 HydrophobicContact CG2-CD2 4.38Å; V22-I67 HydrophobicContact CG2-CG2 3.87Å; V22-F102 HydrophobicContact CG1-CE2 4.17Å; V22-F102 HydrophobicContact CG1-CZ 3.8Å; V22-F102 HydrophobicContact CG2-CE2 3.95Å; V22-F102 HydrophobicContact CG2-CZ 4.41Å; V22-L107 HydrophobicContact CG1-CD1 4.39Å; V22-L110 HydrophobicContact CB-CD2 4.01Å; V22-L110 HydrophobicContact CG1-CD2 3.87Å; V22-L110 HydrophobicContact CG2-CD2 4.12Å |
| 23 | V | 89.8 | Confident | 90.3 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 30% | 0.303 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.3 | -50.9 | 178 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | L19 A25 L26 E27 | L19-V23 HydrophobicContact CD1-CG2 4.16Å; L19-V23 WeakPolarHBondContact O-CG2 3.29Å; L19-V23 PolarHBondContact O-N 3.41Å; V23-A25 PolarHBondContact O-N 3.41Å; V23-L26 PolarHBondContact O-N 3.35Å; V23-E27 HydrophobicContact CG1-CG 4.14Å; V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 3.02Å |
| 24 | T | 91 | Very high | 90.5 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -36.6 | 177.7 | -58 | 0 | 0 | 0 | 0 | 112.4 | P3 K20 V22 S28 | P3-T24 HydrophobicContact CB-CG2 4.08Å; P3-T24 WeakPolarHBondContact CB-OG1 2.82Å; P3-T24 HydrophobicContact CG-CG2 4.32Å; K20-T24 VanDerWaalsContact O-CB 3.31Å; K20-T24 WeakPolarHBondContact O-CB 3.4Å; K20-T24 PolarHBondContact O-N 2.96Å; K20-T24 PolarHBondContact O-OG1 3.34Å; V22-T24 PolarHBondContact O-N 3.41Å; T24-S28 PolarHBondContact O-N 3.39Å |
| 25 | A | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.9 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E21 V22 V23 S28 V60 K63 L64 I67 | E21-A25 WeakPolarHBondContact O-CB 2.81Å; E21-A25 PolarHBondContact O-N 2.9Å; V22-A25 PolarHBondContact O-N 3.29Å; V23-A25 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-N 2.78Å; A25-S28 PolarHBondContact O-OG 2.97Å; A25-V60 WeakPolarHBondContact O-CG1 3.48Å; A25-K63 HydrophobicContact CB-CD 3.88Å; A25-K63 HydrophobicContact CB-CG 4.15Å; A25-L64 HydrophobicContact CB-CD2 3.76Å; A25-L64 HydrophobicContact CB-CG 4.2Å; A25-I67 HydrophobicContact CB-CD1 3.71Å |
| 26 | L | 93.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 178.9 | -71.7 | 170.9 | 0 | 0 | 0 | 112.5 | V22 V23 S28 D29 F32 L53 L64 L107 | V22-L26 HydrophobicContact CG1-CD1 3.81Å; V22-L26 HydrophobicContact CG1-CG 4.42Å; V22-L26 WeakPolarHBondContact O-CG 3.47Å; V22-L26 PolarHBondContact O-N 2.8Å; V23-L26 PolarHBondContact O-N 3.35Å; L26-S28 PolarHBondContact O-N 2.78Å; L26-D29 WeakPolarHBondContact O-CB 3.3Å; L26-D29 PolarHBondContact O-N 3.31Å; L26-F32 HydrophobicContact CB-CD1 3.74Å; L26-F32 HydrophobicContact CB-CE1 3.73Å; L26-F32 HydrophobicContact CD1-CE1 3.89Å; L26-F32 HydrophobicContact CD1-CZ 4.02Å; L26-F32 HydrophobicContact CD2-CD1 4.19Å; L26-F32 HydrophobicContact CD2-CD2 4.34Å; L26-F32 HydrophobicContact CD2-CE1 4Å; L26-F32 HydrophobicContact CD2-CE2 4.13Å; L26-F32 HydrophobicContact CD2-CG 4.36Å; L26-F32 HydrophobicContact CD2-CZ 3.97Å; L26-F32 HydrophobicContact CG-CD1 4.41Å; L26-F32 HydrophobicContact CG-CE1 4.08Å; L26-F32 HydrophobicContact CG-CZ 4.4Å; L26-L53 HydrophobicContact CD2-CD1 3.59Å; L26-L64 HydrophobicContact CD2-CD1 3.74Å; L26-L64 HydrophobicContact CD2-CD2 4.46Å; L26-L64 HydrophobicContact CG-CD1 4.42Å; L26-L64 HydrophobicContact CG-CD2 4.25Å; L26-L107 HydrophobicContact CD1-CD1 3.84Å; L26-L107 HydrophobicContact CD1-CD2 3.93Å |
| 27 | E | 89 | Confident | 90.4 | Very high | 84 Ų | 84 | 51.4 Ų | 51.4 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -22.3 | 178 | -71.5 | 178 | 158.1 | 0 | 0 | 113.7 | V23 D29 L36 | V23-E27 HydrophobicContact CG1-CG 4.14Å; V23-E27 WeakPolarHBondContact O-CG 3.42Å; V23-E27 PolarHBondContact O-N 3.02Å; E27-D29 PolarHBondContact O-N 3.32Å; E27-L36 HydrophobicContact CG-CD2 4.45Å |
| 28 | S | 92.2 | Very high | 90.1 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.9 | 174 | 76.5 | 0 | 0 | 0 | 0 | 113.3 | T24 A25 L26 V60 | T24-S28 PolarHBondContact O-N 3.39Å; A25-S28 PolarHBondContact O-N 2.78Å; A25-S28 PolarHBondContact O-OG 2.97Å; L26-S28 PolarHBondContact O-N 2.78Å; S28-V60 WeakPolarHBondContact OG-CG2 3.36Å |
| 29 | D | 93.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.134 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -89.4 | 109.6 | 168.4 | -171.1 | -73.3 | 0 | 0 | 0 | 109.7 | L26 E27 A31 F32 A33 V56 G57 V60 | L26-D29 WeakPolarHBondContact O-CB 3.3Å; L26-D29 PolarHBondContact O-N 3.31Å; E27-D29 PolarHBondContact O-N 3.32Å; D29-A31 PolarHBondContact O-N 3.25Å; D29-A31 VanDerWaalsContact O-N 3.16Å; D29-A31 WeakPolarHBondContact OD1-CB 3.42Å; D29-A31 PolarHBondContact OD1-N 3.27Å; D29-F32 HydrophobicContact CB-CB 3.99Å; D29-F32 PolarHBondContact O-N 3.43Å; D29-F32 VanDerWaalsContact O-N 3.16Å; D29-F32 PolarHBondContact OD1-N 3.16Å; D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 3.15Å; D29-V56 HydrophobicContact CB-CG1 4.34Å; D29-G57 PolarHBondContact OD2-N 2.88Å; D29-V60 HydrophobicContact CB-CG2 4.09Å |
| 30 | S | 90.3 | Very high | 89.3 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.8 | -32.8 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 113.4 | E34 | S30-E34 VanDerWaalsContact O-CG 3.27Å; S30-E34 WeakPolarHBondContact O-CG 3.48Å; S30-E34 PolarHBondContact O-N 3.26Å |
| 31 | A | 89.7 | Confident | 88.6 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -76.9 | -36.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D29 R35 | D29-A31 PolarHBondContact O-N 3.25Å; D29-A31 VanDerWaalsContact O-N 3.16Å; D29-A31 WeakPolarHBondContact OD1-CB 3.42Å; D29-A31 PolarHBondContact OD1-N 3.27Å; A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 2.98Å |
| 32 | F | 91.4 | Very high | 88 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.022 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 173 | -167.3 | -81.5 | 0 | 0 | 0 | 111.7 | L26 D29 E34 R35 L36 I49 A52 V56 L107 | L26-F32 HydrophobicContact CB-CD1 3.74Å; L26-F32 HydrophobicContact CB-CE1 3.73Å; L26-F32 HydrophobicContact CD1-CE1 3.89Å; L26-F32 HydrophobicContact CD1-CZ 4.02Å; L26-F32 HydrophobicContact CD2-CD1 4.19Å; L26-F32 HydrophobicContact CD2-CD2 4.34Å; L26-F32 HydrophobicContact CD2-CE1 4Å; L26-F32 HydrophobicContact CD2-CE2 4.13Å; L26-F32 HydrophobicContact CD2-CG 4.36Å; L26-F32 HydrophobicContact CD2-CZ 3.97Å; L26-F32 HydrophobicContact CG-CD1 4.41Å; L26-F32 HydrophobicContact CG-CE1 4.08Å; L26-F32 HydrophobicContact CG-CZ 4.4Å; D29-F32 HydrophobicContact CB-CB 3.99Å; D29-F32 PolarHBondContact O-N 3.43Å; D29-F32 VanDerWaalsContact O-N 3.16Å; D29-F32 PolarHBondContact OD1-N 3.16Å; F32-E34 VanDerWaalsContact C-N 3.32Å; F32-E34 PolarHBondContact O-N 3.44Å; F32-R35 CarbonylContact O-C 3.6Å; F32-R35 WeakPolarHBondContact O-CA 3.42Å; F32-R35 WeakPolarHBondContact O-CB 3.06Å; F32-R35 PolarHBondContact O-N 3.17Å; F32-L36 HydrophobicContact CE1-CB 4.45Å; F32-L36 PolarHBondContact O-N 2.92Å; F32-I49 HydrophobicContact CE1-CG1 4.49Å; F32-I49 HydrophobicContact CZ-CG1 4.04Å; F32-A52 HydrophobicContact CD2-CB 3.64Å; F32-A52 HydrophobicContact CE2-CB 3.6Å; F32-V56 HydrophobicContact CB-CG2 3.99Å; F32-V56 HydrophobicContact CD2-CG2 3.45Å; F32-V56 VanDerWaalsContact CD2-CG2 3.45Å; F32-V56 HydrophobicContact CE2-CG2 4.28Å; F32-V56 HydrophobicContact CG-CG2 3.99Å; F32-L107 HydrophobicContact CE2-CD2 4.4Å; F32-L107 HydrophobicContact CZ-CD2 3.93Å |
| 33 | A | 88 | Confident | 87.5 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.3 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D29 R35 L36 R37 | D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 3.15Å; A33-R35 VanDerWaalsContact C-N 3.32Å; A33-R35 PolarHBondContact O-N 3.38Å; A33-L36 PolarHBondContact O-N 3.31Å; A33-R37 WeakPolarHBondContact O-CG 3.34Å; A33-R37 PolarHBondContact O-N 2.9Å |
| 34 | E | 88.3 | Confident | 87.1 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.2 | -75 | -65.2 | 122.3 | 0 | 0 | 112.5 | S30 F32 R37 N38 | S30-E34 VanDerWaalsContact O-CG 3.27Å; S30-E34 WeakPolarHBondContact O-CG 3.48Å; S30-E34 PolarHBondContact O-N 3.26Å; F32-E34 VanDerWaalsContact C-N 3.32Å; F32-E34 PolarHBondContact O-N 3.44Å; E34-R37 IonicContact OE1-CZ 2.69Å; E34-R37 IonicContact OE1-NE 2.9Å; E34-R37 PolarHBondContact OE1-NE 3.37Å; E34-R37 IonicContact OE1-NH2 3.59Å; E34-R37 PolarHBondContact OE1-NH2 3.47Å; E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3Å; E34-N38 PolarHBondContact O-ND2 2.95Å |
| 35 | R | 88.2 | Confident | 86.5 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 46% | 0.457 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 175.9 | -72.9 | 179 | -177.9 | -159 | 3.1 | 112.1 | A31 F32 A33 N38 A39 I49 | A31-R35 WeakPolarHBondContact O-CG 3.31Å; A31-R35 PolarHBondContact O-N 2.98Å; F32-R35 CarbonylContact O-C 3.6Å; F32-R35 WeakPolarHBondContact O-CA 3.42Å; F32-R35 WeakPolarHBondContact O-CB 3.06Å; F32-R35 PolarHBondContact O-N 3.17Å; A33-R35 VanDerWaalsContact C-N 3.32Å; A33-R35 PolarHBondContact O-N 3.38Å; R35-N38 PolarHBondContact O-N 3.2Å; R35-A39 WeakPolarHBondContact O-CB 2.9Å; R35-A39 PolarHBondContact O-N 2.75Å; R35-A39 VanDerWaalsContact O-N 3.07Å; R35-I49 HydrophobicContact CB-CD1 3.93Å |
| 36 | L | 87 | Confident | 85.9 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64 | -48 | 177.1 | -173.3 | 62.6 | 0 | 0 | 0 | 110.2 | E27 F32 A33 N38 A39 I44 I49 | E27-L36 HydrophobicContact CG-CD2 4.45Å; F32-L36 HydrophobicContact CE1-CB 4.45Å; F32-L36 PolarHBondContact O-N 2.92Å; A33-L36 PolarHBondContact O-N 3.31Å; L36-N38 VanDerWaalsContact C-N 3.27Å; L36-N38 PolarHBondContact O-N 3.26Å; L36-A39 WeakPolarHBondContact O-CB 3.49Å; L36-A39 PolarHBondContact O-N 3.25Å; L36-A39 VanDerWaalsContact O-N 3.16Å; L36-I44 HydrophobicContact CD1-CD1 4.11Å; L36-I44 HydrophobicContact CD1-CG1 4.28Å; L36-I49 HydrophobicContact CD1-CG1 4.1Å |
| 37 | R | 82.8 | Confident | 85.4 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -30.8 | 177.4 | -77.8 | -171.7 | -77.3 | -83.2 | 3.2 | 115 | A33 E34 D256 | A33-R37 WeakPolarHBondContact O-CG 3.34Å; A33-R37 PolarHBondContact O-N 2.9Å; E34-R37 IonicContact OE1-CZ 2.69Å; E34-R37 IonicContact OE1-NE 2.9Å; E34-R37 PolarHBondContact OE1-NE 3.37Å; E34-R37 IonicContact OE1-NH2 3.59Å; E34-R37 PolarHBondContact OE1-NH2 3.47Å; R37-D256 HydrophobicContact CB-CB 4.38Å; R37-D256 HydrophobicContact CG-CB 4.38Å |
| 38 | N | 85 | Confident | 85.3 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.2 | -179.2 | -68.9 | -62.8 | 0 | 0 | 0 | 112.9 | E34 R35 L36 | E34-N38 WeakPolarHBondContact O-CB 3.46Å; E34-N38 PolarHBondContact O-N 3Å; E34-N38 PolarHBondContact O-ND2 2.95Å; R35-N38 PolarHBondContact O-N 3.2Å; L36-N38 VanDerWaalsContact C-N 3.27Å; L36-N38 PolarHBondContact O-N 3.26Å |
| 39 | A | 84.3 | Confident | 85 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -77.9 | 141.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | R35 L36 E43 I44 I49 | R35-A39 WeakPolarHBondContact O-CB 2.9Å; R35-A39 PolarHBondContact O-N 2.75Å; R35-A39 VanDerWaalsContact O-N 3.07Å; L36-A39 WeakPolarHBondContact O-CB 3.49Å; L36-A39 PolarHBondContact O-N 3.25Å; L36-A39 VanDerWaalsContact O-N 3.16Å; A39-E43 WeakPolarHBondContact CA-OE2 3.42Å; A39-E43 HydrophobicContact CB-CB 4.22Å; A39-I44 HydrophobicContact CB-CD1 4.23Å; A39-I44 HydrophobicContact CB-CG1 3.77Å; A39-I49 HydrophobicContact CB-CD1 4.23Å |
| 40 | T | 81.6 | Confident | 84.9 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 32% | 0.322 | S | S | . | . | trans | -72.6 | 155.8 | 173.8 | 81.8 | 0 | 0 | 0 | 0 | 110.6 | E42 E43 I44 | T40-E42 WeakPolarHBondContact CB-OE2 3.47Å; T40-E42 PolarHBondContact O-N 2.98Å; T40-E42 VanDerWaalsContact O-N 3.12Å; T40-E42 PolarHBondContact OG1-N 2.99Å; T40-E42 PolarHBondContact OG1-OE2 2.86Å; T40-E43 PolarHBondContact N-OE2 2.69Å; T40-E43 WeakPolarHBondContact O-CA 3.38Å; T40-E43 WeakPolarHBondContact O-CB 3.39Å; T40-E43 PolarHBondContact O-N 3.11Å; T40-E43 PolarHBondContact OG1-N 3.21Å; T40-I44 PolarHBondContact O-N 3.24Å | ||
| 41 | P | 75.6 | Confident | 84.8 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 47% | 0.468 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -50.9 | -37.8 | 173.4 | -28.9 | 36.2 | 0 | 0 | 0 | 112.6 | I44 Q45 | P41-I44 PolarHBondContact O-N 3.17Å; P41-Q45 VanDerWaalsContact O-CB 3.3Å; P41-Q45 WeakPolarHBondContact O-CB 3.32Å; P41-Q45 WeakPolarHBondContact O-CG 3.5Å; P41-Q45 PolarHBondContact O-N 3.39Å |
| 42 | E | 80.4 | Confident | 84.8 | Confident | 115 Ų | 115 | 60.7 Ų | 60.7 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -33.8 | 176.5 | -53.4 | 77.6 | -171.2 | 0 | 0 | 112.5 | T40 S46 | T40-E42 WeakPolarHBondContact CB-OE2 3.47Å; T40-E42 PolarHBondContact O-N 2.98Å; T40-E42 VanDerWaalsContact O-N 3.12Å; T40-E42 PolarHBondContact OG1-N 2.99Å; T40-E42 PolarHBondContact OG1-OE2 2.86Å; E42-S46 WeakPolarHBondContact O-CB 3.36Å; E42-S46 PolarHBondContact O-N 2.8Å; E42-S46 PolarHBondContact O-OG 2.82Å |
| 43 | E | 83.2 | Confident | 84.8 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.2 | -74.6 | -178.4 | 154.6 | 0 | 0 | 112.2 | A39 T40 S46 R48 | A39-E43 WeakPolarHBondContact CA-OE2 3.42Å; A39-E43 HydrophobicContact CB-CB 4.22Å; T40-E43 PolarHBondContact N-OE2 2.69Å; T40-E43 WeakPolarHBondContact O-CA 3.38Å; T40-E43 WeakPolarHBondContact O-CB 3.39Å; T40-E43 PolarHBondContact O-N 3.11Å; T40-E43 PolarHBondContact OG1-N 3.21Å; E43-S46 WeakPolarHBondContact CA-OG 3.48Å; E43-S46 PolarHBondContact O-OG 3.25Å; E43-R48 VanDerWaalsContact CG-CZ 3.5Å; E43-R48 VanDerWaalsContact CG-NH2 3.32Å; E43-R48 PolarHBondContact O-N 2.55Å; E43-R48 VanDerWaalsContact O-N 3.11Å; E43-R48 IonicContact OE1-NH1 3.16Å |
| 44 | I | 81.7 | Confident | 84.8 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 21% | 0.205 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -60.6 | 173.2 | -61.5 | 174.3 | 0 | 0 | 0 | 108.5 | L36 A39 T40 P41 S46 G47 I111 | L36-I44 HydrophobicContact CD1-CD1 4.11Å; L36-I44 HydrophobicContact CD1-CG1 4.28Å; A39-I44 HydrophobicContact CB-CD1 4.23Å; A39-I44 HydrophobicContact CB-CG1 3.77Å; T40-I44 PolarHBondContact O-N 3.24Å; P41-I44 PolarHBondContact O-N 3.17Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.83Å; I44-G47 WeakPolarHBondContact O-CA 3.46Å; I44-G47 PolarHBondContact O-N 3.11Å; I44-I111 WeakPolarHBondContact O-CG2 3.48Å |
| 45 | Q | 77.3 | Confident | 84.9 | Confident | 120 Ų | 120 | 68.6 Ų | 68.6 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.2 | -36.3 | -176.9 | -71.1 | 176.1 | 8.3 | 0 | 0 | 113.8 | P41 G47 | P41-Q45 VanDerWaalsContact O-CB 3.3Å; P41-Q45 WeakPolarHBondContact O-CB 3.32Å; P41-Q45 WeakPolarHBondContact O-CG 3.5Å; P41-Q45 PolarHBondContact O-N 3.39Å; Q45-G47 PolarHBondContact O-N 2.6Å |
| 46 | S | 81.8 | Confident | 85 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.4 | 176.7 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | E42 E43 I44 R48 | E42-S46 WeakPolarHBondContact O-CB 3.36Å; E42-S46 PolarHBondContact O-N 2.8Å; E42-S46 PolarHBondContact O-OG 2.82Å; E43-S46 WeakPolarHBondContact CA-OG 3.48Å; E43-S46 PolarHBondContact O-OG 3.25Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 2.83Å; S46-R48 VanDerWaalsContact C-N 3.32Å; S46-R48 WeakPolarHBondContact OG-CG 3.35Å; S46-R48 PolarHBondContact OG-NE 3.38Å |
| 47 | G | 83.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 10 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | I44 Q45 I49 A50 | I44-G47 WeakPolarHBondContact O-CA 3.46Å; I44-G47 PolarHBondContact O-N 3.11Å; Q45-G47 PolarHBondContact O-N 2.6Å; G47-I49 PolarHBondContact O-N 2.69Å; G47-A50 VanDerWaalsContact O-CB 3.24Å; G47-A50 WeakPolarHBondContact O-CB 3.45Å; G47-A50 PolarHBondContact O-N 3.12Å; G47-A50 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 85.4 | Confident | 85.6 | Confident | 131 Ų | 131 | 65.3 Ų | 65.3 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -61.3 | -34.2 | 178.7 | -80.5 | -175.4 | -77.8 | 170.4 | 0.5 | 112.1 | E43 S46 A50 E51 | E43-R48 VanDerWaalsContact CG-CZ 3.5Å; E43-R48 VanDerWaalsContact CG-NH2 3.32Å; E43-R48 PolarHBondContact O-N 2.55Å; E43-R48 VanDerWaalsContact O-N 3.11Å; E43-R48 IonicContact OE1-NH1 3.16Å; S46-R48 VanDerWaalsContact C-N 3.32Å; S46-R48 WeakPolarHBondContact OG-CG 3.35Å; S46-R48 PolarHBondContact OG-NE 3.38Å; R48-A50 PolarHBondContact O-N 2.91Å; R48-E51 WeakPolarHBondContact O-CB 2.94Å; R48-E51 PolarHBondContact O-N 3.43Å; R48-E51 VanDerWaalsContact O-N 3.09Å |
| 49 | I | 87.2 | Confident | 85.9 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -56.9 | -24.5 | 176.7 | -166.6 | 59.8 | 0 | 0 | 0 | 113 | F32 R35 L36 A39 G47 E51 A52 I111 | F32-I49 HydrophobicContact CE1-CG1 4.49Å; F32-I49 HydrophobicContact CZ-CG1 4.04Å; R35-I49 HydrophobicContact CB-CD1 3.93Å; L36-I49 HydrophobicContact CD1-CG1 4.1Å; A39-I49 HydrophobicContact CB-CD1 4.23Å; G47-I49 PolarHBondContact O-N 2.69Å; I49-E51 PolarHBondContact O-N 2.81Å; I49-E51 VanDerWaalsContact O-N 3.11Å; I49-A52 WeakPolarHBondContact O-CB 3.29Å; I49-A52 PolarHBondContact O-N 3.25Å; I49-I111 HydrophobicContact CG2-CD1 3.5Å |
| 50 | A | 89.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -63.8 | -19 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G47 R48 A52 L53 K104 L107 E108 | G47-A50 VanDerWaalsContact O-CB 3.24Å; G47-A50 WeakPolarHBondContact O-CB 3.45Å; G47-A50 PolarHBondContact O-N 3.12Å; G47-A50 VanDerWaalsContact O-N 3.11Å; R48-A50 PolarHBondContact O-N 2.91Å; A50-A52 PolarHBondContact O-N 2.81Å; A50-L53 WeakPolarHBondContact O-CB 3.32Å; A50-L53 PolarHBondContact O-N 3.28Å; A50-K104 HydrophobicContact CB-CG 3.66Å; A50-K104 WeakPolarHBondContact O-CG 3.1Å; A50-L107 HydrophobicContact CB-CB 4.04Å; A50-L107 HydrophobicContact CB-CD2 3.97Å; A50-L107 HydrophobicContact CB-CG 3.95Å; A50-E108 HydrophobicContact CB-CB 4.32Å |
| 51 | E | 89.9 | Confident | 86.9 | Confident | 111 Ų | 111 | 64 Ų | 64 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.9 | -28.8 | 172 | -70.7 | -175.1 | 178.7 | 0 | 0 | 113.3 | R48 I49 L53 D54 K104 | R48-E51 WeakPolarHBondContact O-CB 2.94Å; R48-E51 PolarHBondContact O-N 3.43Å; R48-E51 VanDerWaalsContact O-N 3.09Å; I49-E51 PolarHBondContact O-N 2.81Å; I49-E51 VanDerWaalsContact O-N 3.11Å; E51-L53 PolarHBondContact O-N 3.38Å; E51-D54 PolarHBondContact O-N 3.48Å; E51-K104 HydrophobicContact CG-CD 4.09Å; E51-K104 IonicContact OE1-NZ 3.19Å; E51-K104 PolarHBondContact OE1-NZ 3.12Å |
| 52 | A | 88.6 | Confident | 87.8 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -67.9 | -18.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F32 I49 A50 D54 F55 | F32-A52 HydrophobicContact CD2-CB 3.64Å; F32-A52 HydrophobicContact CE2-CB 3.6Å; I49-A52 WeakPolarHBondContact O-CB 3.29Å; I49-A52 PolarHBondContact O-N 3.25Å; A50-A52 PolarHBondContact O-N 2.81Å; A52-D54 PolarHBondContact O-N 3.13Å; A52-D54 VanDerWaalsContact O-N 3.13Å; A52-F55 PolarHBondContact O-N 3.1Å |
| 53 | L | 91.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -59.4 | -25.6 | 178 | -162.7 | 73.9 | 0 | 0 | 0 | 112.5 | L26 A50 E51 F55 V56 R61 L64 F102 D103 L107 | L26-L53 HydrophobicContact CD2-CD1 3.59Å; A50-L53 WeakPolarHBondContact O-CB 3.32Å; A50-L53 PolarHBondContact O-N 3.28Å; E51-L53 PolarHBondContact O-N 3.38Å; L53-F55 PolarHBondContact O-N 3.34Å; L53-V56 HydrophobicContact CD1-CG2 4.27Å; L53-V56 PolarHBondContact O-N 2.8Å; L53-R61 PolarHBondContact O-NE 3.44Å; L53-R61 PolarHBondContact O-NH2 2.89Å; L53-L64 HydrophobicContact CD1-CD1 3.78Å; L53-F102 HydrophobicContact CD1-CD1 4.49Å; L53-F102 HydrophobicContact CD1-CE1 4.14Å; L53-F102 HydrophobicContact CD2-CD1 3.93Å; L53-F102 HydrophobicContact CD2-CE1 3.87Å; L53-D103 WeakPolarHBondContact CD2-O 3.2Å; L53-L107 HydrophobicContact CD1-CD2 4.41Å |
| 54 | D | 88.1 | Confident | 89 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 57% | 0.572 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -62.9 | -22.1 | 177 | -80.8 | -26.3 | 0 | 0 | 0 | 113.8 | E51 A52 R61 | E51-D54 PolarHBondContact O-N 3.48Å; A52-D54 PolarHBondContact O-N 3.13Å; A52-D54 VanDerWaalsContact O-N 3.13Å; D54-R61 PolarHBondContact O-NH2 2.84Å; D54-R61 IonicContact OD1-NH2 2.73Å |
| 55 | F | 90.3 | Very high | 89.6 | Confident | 153 Ų | 153 | 59.1 Ų | 59.1 | 67% | 0.671 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -108.4 | -3.4 | -175.1 | -55.5 | -79.5 | 0 | 0 | 0 | 113.8 | A52 L53 | A52-F55 PolarHBondContact O-N 3.1Å; L53-F55 PolarHBondContact O-N 3.34Å |
| 56 | V | 91.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -66.2 | 140 | -179.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | D29 F32 L53 V60 R61 | D29-V56 HydrophobicContact CB-CG1 4.34Å; F32-V56 HydrophobicContact CB-CG2 3.99Å; F32-V56 HydrophobicContact CD2-CG2 3.45Å; F32-V56 VanDerWaalsContact CD2-CG2 3.45Å; F32-V56 HydrophobicContact CE2-CG2 4.28Å; F32-V56 HydrophobicContact CG-CG2 3.99Å; L53-V56 HydrophobicContact CD1-CG2 4.27Å; L53-V56 PolarHBondContact O-N 2.8Å; V56-V60 HydrophobicContact CG1-CB 3.44Å; V56-V60 VanDerWaalsContact CG1-CB 3.44Å; V56-V60 HydrophobicContact CG1-CG1 3.37Å; V56-V60 HydrophobicContact CG1-CG2 4.39Å; V56-R61 HydrophobicContact CG1-CG 4.4Å |
| 57 | G | 90.1 | Very high | 91 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | trans | -56 | 149.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D29 G59 V60 R61 | D29-G57 PolarHBondContact OD2-N 2.88Å; G57-G59 PolarHBondContact O-N 3.32Å; G57-V60 PolarHBondContact O-N 2.65Å; G57-V60 VanDerWaalsContact O-N 3.1Å; G57-R61 PolarHBondContact O-N 3.39Å | ||
| 58 | H | 91 | Very high | 91.4 | Very high | 153 Ų | 153 | 57.7 Ų | 57.7 | 71% | 0.708 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.2 | -34.3 | -177.6 | -178 | 66 | 0 | 0 | 0 | 113.7 | R61 T62 | H58-R61 PolarHBondContact O-N 3.46Å; H58-T62 WeakPolarHBondContact O-CB 3.32Å; H58-T62 PolarHBondContact O-N 3.17Å; H58-T62 PolarHBondContact O-OG1 2.83Å |
| 59 | G | 92.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G57 T62 K63 | G57-G59 PolarHBondContact O-N 3.32Å; G59-T62 PolarHBondContact O-N 2.88Å; G59-K63 PolarHBondContact O-N 3.42Å |
| 60 | V | 93.9 | Very high | 92 | Very high | 16 Ų | 16 | 58 Ų | 58 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111 | A25 S28 D29 V56 G57 T62 K63 L64 | A25-V60 WeakPolarHBondContact O-CG1 3.48Å; S28-V60 WeakPolarHBondContact OG-CG2 3.36Å; D29-V60 HydrophobicContact CB-CG2 4.09Å; V56-V60 HydrophobicContact CG1-CB 3.44Å; V56-V60 VanDerWaalsContact CG1-CB 3.44Å; V56-V60 HydrophobicContact CG1-CG1 3.37Å; V56-V60 HydrophobicContact CG1-CG2 4.39Å; G57-V60 PolarHBondContact O-N 2.65Å; G57-V60 VanDerWaalsContact O-N 3.1Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.38Å; V60-K63 WeakPolarHBondContact O-CB 3.32Å; V60-K63 PolarHBondContact O-N 3.48Å; V60-K63 VanDerWaalsContact O-N 3.1Å; V60-L64 HydrophobicContact CG1-CD1 3.99Å; V60-L64 HydrophobicContact CG1-CG 4.24Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.05Å |
| 61 | R | 93.1 | Very high | 92 | Very high | 94 Ų | 94 | 58.2 Ų | 58.2 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.2 | -41.9 | 172.7 | -72.2 | -173.8 | 171.9 | -154.8 | -5.4 | 113 | L53 D54 V56 G57 H58 K63 L64 N65 | L53-R61 PolarHBondContact O-NE 3.44Å; L53-R61 PolarHBondContact O-NH2 2.89Å; D54-R61 PolarHBondContact O-NH2 2.84Å; D54-R61 IonicContact OD1-NH2 2.73Å; V56-R61 HydrophobicContact CG1-CG 4.4Å; G57-R61 PolarHBondContact O-N 3.39Å; H58-R61 PolarHBondContact O-N 3.46Å; R61-K63 VanDerWaalsContact C-N 3.33Å; R61-L64 PolarHBondContact O-N 3.03Å; R61-N65 PolarHBondContact O-N 3.42Å; R61-N65 PolarHBondContact O-ND2 3.41Å; R61-N65 PolarHBondContact O-OD1 2.93Å |
| 62 | T | 93.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 176.2 | -60 | 0 | 0 | 0 | 0 | 111.2 | H58 G59 V60 N65 Q66 | H58-T62 WeakPolarHBondContact O-CB 3.32Å; H58-T62 PolarHBondContact O-N 3.17Å; H58-T62 PolarHBondContact O-OG1 2.83Å; G59-T62 PolarHBondContact O-N 2.88Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.38Å; T62-N65 PolarHBondContact O-N 2.99Å; T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 3.04Å; T62-Q66 VanDerWaalsContact O-N 3.11Å |
| 63 | K | 94.3 | Very high | 91.8 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.1 | -169.6 | 177.4 | 177.7 | -171.9 | 0 | 111.8 | A25 G59 V60 R61 N65 Q66 I67 | A25-K63 HydrophobicContact CB-CD 3.88Å; A25-K63 HydrophobicContact CB-CG 4.15Å; G59-K63 PolarHBondContact O-N 3.42Å; V60-K63 WeakPolarHBondContact O-CB 3.32Å; V60-K63 PolarHBondContact O-N 3.48Å; V60-K63 VanDerWaalsContact O-N 3.1Å; R61-K63 VanDerWaalsContact C-N 3.33Å; K63-N65 VanDerWaalsContact C-N 3.34Å; K63-N65 PolarHBondContact O-N 3.32Å; K63-Q66 WeakPolarHBondContact O-CB 3.47Å; K63-Q66 PolarHBondContact O-N 2.71Å; K63-Q66 VanDerWaalsContact O-N 3.13Å; K63-I67 HydrophobicContact CG-CD1 3.98Å; K63-I67 VanDerWaalsContact O-CG1 3.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.41Å; K63-I67 PolarHBondContact O-N 2.94Å |
| 64 | L | 95.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 176.2 | -70.4 | 170.2 | 0 | 0 | 0 | 112.3 | V22 A25 L26 L53 V60 R61 Q66 I67 K68 F102 | V22-L64 HydrophobicContact CB-CD2 4.38Å; V22-L64 HydrophobicContact CG1-CD2 3.99Å; V22-L64 HydrophobicContact CG2-CD2 4.38Å; A25-L64 HydrophobicContact CB-CD2 3.76Å; A25-L64 HydrophobicContact CB-CG 4.2Å; L26-L64 HydrophobicContact CD2-CD1 3.74Å; L26-L64 HydrophobicContact CD2-CD2 4.46Å; L26-L64 HydrophobicContact CG-CD1 4.42Å; L26-L64 HydrophobicContact CG-CD2 4.25Å; L53-L64 HydrophobicContact CD1-CD1 3.78Å; V60-L64 HydrophobicContact CG1-CD1 3.99Å; V60-L64 HydrophobicContact CG1-CG 4.24Å; V60-L64 WeakPolarHBondContact O-CG 3.33Å; V60-L64 PolarHBondContact O-N 3.05Å; R61-L64 PolarHBondContact O-N 3.03Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.23Å; L64-I67 PolarHBondContact O-N 2.86Å; L64-K68 WeakPolarHBondContact O-CB 3.05Å; L64-K68 PolarHBondContact O-N 3.18Å; L64-F102 HydrophobicContact CB-CB 3.94Å; L64-F102 HydrophobicContact CB-CD1 3.88Å; L64-F102 HydrophobicContact CB-CG 3.88Å; L64-F102 HydrophobicContact CD1-CD1 3.92Å; L64-F102 HydrophobicContact CD1-CE1 4.06Å; L64-F102 HydrophobicContact CD2-CD1 4.4Å; L64-F102 HydrophobicContact CD2-CE1 4.25Å; L64-F102 HydrophobicContact CD2-CZ 4.4Å; L64-F102 HydrophobicContact CG-CD1 4.3Å |
| 65 | N | 93.8 | Very high | 91.6 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 173.5 | -68.9 | -17.7 | 0 | 0 | 0 | 111.8 | R61 T62 K63 K68 L69 A101 F102 | R61-N65 PolarHBondContact O-N 3.42Å; R61-N65 PolarHBondContact O-ND2 3.41Å; R61-N65 PolarHBondContact O-OD1 2.93Å; T62-N65 PolarHBondContact O-N 2.99Å; K63-N65 VanDerWaalsContact C-N 3.34Å; K63-N65 PolarHBondContact O-N 3.32Å; N65-K68 PolarHBondContact O-N 3.02Å; N65-L69 VanDerWaalsContact O-CG 3.3Å; N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 3.21Å; N65-A101 WeakPolarHBondContact OD1-CA 3.34Å; N65-F102 PolarHBondContact OD1-N 3.45Å |
| 66 | Q | 93.4 | Very high | 91.1 | Very high | 119 Ų | 119 | 57.4 Ų | 57.4 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 177.2 | -70.8 | 173.7 | -4.5 | 0 | 0 | 111.8 | T62 K63 L64 L69 V70 | T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 3.04Å; T62-Q66 VanDerWaalsContact O-N 3.11Å; K63-Q66 WeakPolarHBondContact O-CB 3.47Å; K63-Q66 PolarHBondContact O-N 2.71Å; K63-Q66 VanDerWaalsContact O-N 3.13Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.23Å; Q66-L69 PolarHBondContact O-N 2.92Å; Q66-V70 WeakPolarHBondContact O-CG2 3.42Å; Q66-V70 PolarHBondContact O-N 3.28Å; Q66-V70 VanDerWaalsContact O-N 3.1Å |
| 67 | I | 95.1 | Very high | 90.7 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 177 | -66.8 | 160.3 | 0 | 0 | 0 | 110.3 | Y18 E21 V22 A25 K63 L64 L69 V70 E71 | Y18-I67 HydrophobicContact CD2-CG2 3.62Å; Y18-I67 HydrophobicContact CE2-CG2 3.81Å; E21-I67 HydrophobicContact CB-CD1 4.09Å; E21-I67 HydrophobicContact CB-CG1 4.17Å; E21-I67 HydrophobicContact CB-CG2 3.8Å; E21-I67 WeakPolarHBondContact O-CD1 3.38Å; V22-I67 HydrophobicContact CG2-CG2 3.87Å; A25-I67 HydrophobicContact CB-CD1 3.71Å; K63-I67 HydrophobicContact CG-CD1 3.98Å; K63-I67 VanDerWaalsContact O-CG1 3.31Å; K63-I67 WeakPolarHBondContact O-CG1 3.41Å; K63-I67 PolarHBondContact O-N 2.94Å; L64-I67 PolarHBondContact O-N 2.86Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 2.9Å; I67-V70 PolarHBondContact O-N 3.41Å; I67-E71 PolarHBondContact O-N 2.84Å |
| 68 | K | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.8 | -176 | 173.2 | 173.6 | 175.4 | 0 | 112.8 | L64 N65 V70 E71 I72 D96 K99 A101 F102 D106 | L64-K68 WeakPolarHBondContact O-CB 3.05Å; L64-K68 PolarHBondContact O-N 3.18Å; N65-K68 PolarHBondContact O-N 3.02Å; K68-V70 PolarHBondContact O-N 2.99Å; K68-E71 PolarHBondContact O-N 3.19Å; K68-I72 HydrophobicContact CG-CD1 3.93Å; K68-I72 HydrophobicContact CG-CG1 4.42Å; K68-I72 WeakPolarHBondContact O-CG1 3.45Å; K68-I72 PolarHBondContact O-N 3.39Å; K68-D96 WeakPolarHBondContact CE-O 3.37Å; K68-D96 PolarHBondContact NZ-O 3.41Å; K68-K99 WeakPolarHBondContact CE-O 3.36Å; K68-K99 PolarHBondContact NZ-O 3.37Å; K68-A101 PolarHBondContact NZ-O 2.98Å; K68-F102 HydrophobicContact CB-CB 4.24Å; K68-F102 HydrophobicContact CB-CD2 4.16Å; K68-F102 HydrophobicContact CD-CB 3.91Å; K68-F102 HydrophobicContact CD-CD2 4.17Å; K68-F102 HydrophobicContact CD-CG 4.49Å; K68-D106 WeakPolarHBondContact CE-OD1 3.23Å; K68-D106 IonicContact NZ-OD1 3.91Å; K68-D106 PolarHBondContact NZ-OD1 2.99Å; K68-D106 IonicContact NZ-OD2 2.74Å; K68-D106 PolarHBondContact NZ-OD2 3.4Å |
| 69 | L | 91.5 | Very high | 89.3 | Confident | 84 Ų | 84 | 60.5 Ų | 60.5 | 44% | 0.44 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 178.2 | -74.7 | 170.4 | 0 | 0 | 0 | 112.4 | N65 Q66 I67 E71 I72 E73 E100 | N65-L69 VanDerWaalsContact O-CG 3.3Å; N65-L69 WeakPolarHBondContact O-CG 3.26Å; N65-L69 PolarHBondContact O-N 3.21Å; Q66-L69 PolarHBondContact O-N 2.92Å; I67-L69 VanDerWaalsContact C-N 3.34Å; I67-L69 PolarHBondContact O-N 2.9Å; L69-E71 VanDerWaalsContact C-N 3.32Å; L69-I72 PolarHBondContact O-N 3.01Å; L69-E73 PolarHBondContact O-N 3.04Å; L69-E73 VanDerWaalsContact O-N 3.09Å; L69-E100 HydrophobicContact CD2-CB 4.41Å |
| 70 | V | 92.6 | Very high | 88.4 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | Q66 I67 K68 E73 R74 | Q66-V70 WeakPolarHBondContact O-CG2 3.42Å; Q66-V70 PolarHBondContact O-N 3.28Å; Q66-V70 VanDerWaalsContact O-N 3.1Å; I67-V70 PolarHBondContact O-N 3.41Å; K68-V70 PolarHBondContact O-N 2.99Å; V70-E73 PolarHBondContact O-N 3.1Å; V70-R74 PolarHBondContact O-N 3.46Å |
| 71 | E | 91.2 | Very high | 87.4 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 2% | 0.023 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 178.7 | -176.1 | 63 | 179.7 | 0 | 0 | 112.4 | Y18 I67 K68 L69 E73 R74 L75 H94 L95 | Y18-E71 HydrophobicContact CD1-CG 4.18Å; Y18-E71 HydrophobicContact CD2-CB 3.46Å; Y18-E71 VanDerWaalsContact CD2-CB 3.46Å; Y18-E71 HydrophobicContact CD2-CG 3.74Å; Y18-E71 HydrophobicContact CE2-CB 3.88Å; Y18-E71 HydrophobicContact CE2-CG 4.22Å; Y18-E71 HydrophobicContact CG-CB 3.96Å; Y18-E71 HydrophobicContact CG-CG 3.69Å; I67-E71 PolarHBondContact O-N 2.84Å; K68-E71 PolarHBondContact O-N 3.19Å; L69-E71 VanDerWaalsContact C-N 3.32Å; E71-E73 VanDerWaalsContact C-N 3.26Å; E71-E73 PolarHBondContact O-N 2.84Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.48Å; E71-R74 VanDerWaalsContact O-N 3.15Å; E71-R74 IonicContact OE1-NH1 3.56Å; E71-R74 PolarHBondContact OE1-NH1 3.05Å; E71-R74 WeakPolarHBondContact OE2-CD 3.1Å; E71-R74 IonicContact OE2-NH1 3.64Å; E71-L75 HydrophobicContact CG-CD1 4.19Å; E71-L75 HydrophobicContact CG-CG 4.42Å; E71-L75 WeakPolarHBondContact O-CG 2.95Å; E71-L75 PolarHBondContact O-N 3.34Å; E71-H94 IonicContact OE1-CE1 3.95Å; E71-H94 IonicContact OE1-NE2 2.76Å; E71-H94 PolarHBondContact OE1-NE2 2.72Å; E71-L95 HydrophobicContact CB-CD2 4.16Å; E71-L95 HydrophobicContact CG-CD2 3.56Å |
| 72 | I | 87.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.087 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.5 | -42.2 | 173.8 | -72.2 | 169.9 | 0 | 0 | 0 | 110.8 | K68 L69 L75 R76 L95 | K68-I72 HydrophobicContact CG-CD1 3.93Å; K68-I72 HydrophobicContact CG-CG1 4.42Å; K68-I72 WeakPolarHBondContact O-CG1 3.45Å; K68-I72 PolarHBondContact O-N 3.39Å; L69-I72 PolarHBondContact O-N 3.01Å; I72-L75 PolarHBondContact O-N 3.25Å; I72-R76 VanDerWaalsContact O-CG 3.31Å; I72-R76 WeakPolarHBondContact O-CG 3.27Å; I72-R76 PolarHBondContact O-N 3.43Å; I72-L95 HydrophobicContact CG1-CD1 4.09Å; I72-L95 HydrophobicContact CG1-CD2 4.49Å |
| 73 | E | 86.6 | Confident | 84.6 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.1 | -176.1 | 58 | -157.7 | 0 | 0 | 112.2 | L69 V70 E71 R76 R77 | L69-E73 PolarHBondContact O-N 3.04Å; L69-E73 VanDerWaalsContact O-N 3.09Å; V70-E73 PolarHBondContact O-N 3.1Å; E71-E73 VanDerWaalsContact C-N 3.26Å; E71-E73 PolarHBondContact O-N 2.84Å; E73-R76 PolarHBondContact O-N 3.21Å; E73-R76 IonicContact OE2-NH1 3.47Å; E73-R77 PolarHBondContact O-N 2.99Å; E73-R77 IonicContact OE1-NH2 3.67Å |
| 74 | R | 89.2 | Confident | 83 | Confident | 96 Ų | 96 | 76.9 Ų | 76.9 | 36% | 0.362 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 172.6 | -176.7 | -154.3 | 171.7 | -159.8 | 0.8 | 111.2 | E14 V70 E71 R76 R77 A78 | E14-R74 PolarHBondContact O-NH1 2.96Å; E14-R74 PolarHBondContact O-NH2 2.78Å; V70-R74 PolarHBondContact O-N 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.48Å; E71-R74 VanDerWaalsContact O-N 3.15Å; E71-R74 IonicContact OE1-NH1 3.56Å; E71-R74 PolarHBondContact OE1-NH1 3.05Å; E71-R74 WeakPolarHBondContact OE2-CD 3.1Å; E71-R74 IonicContact OE2-NH1 3.64Å; R74-R76 VanDerWaalsContact C-N 3.34Å; R74-R76 PolarHBondContact O-N 3.41Å; R74-R77 PolarHBondContact O-N 3.41Å; R74-A78 PolarHBondContact O-N 2.96Å |
| 75 | L | 84.6 | Confident | 80.8 | Confident | 16 Ų | 16 | 83.9 Ų | 83.9 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 179.3 | -66.9 | 172.9 | 0 | 0 | 0 | 112 | E71 I72 R77 A78 L79 Y91 L92 L95 | E71-L75 HydrophobicContact CG-CD1 4.19Å; E71-L75 HydrophobicContact CG-CG 4.42Å; E71-L75 WeakPolarHBondContact O-CG 2.95Å; E71-L75 PolarHBondContact O-N 3.34Å; I72-L75 PolarHBondContact O-N 3.25Å; L75-R77 VanDerWaalsContact C-N 3.35Å; L75-R77 PolarHBondContact O-N 3.21Å; L75-A78 PolarHBondContact O-N 2.94Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 3.49Å; L75-Y91 WeakPolarHBondContact CD2-O 3.43Å; L75-L92 HydrophobicContact CB-CD2 3.86Å; L75-L92 HydrophobicContact CD1-CD2 3.84Å; L75-L92 HydrophobicContact CD2-CD2 4.3Å; L75-L92 HydrophobicContact CG-CD2 4.21Å; L75-L95 HydrophobicContact CD1-CD1 4.5Å; L75-L95 HydrophobicContact CD1-CD2 3.8Å; L75-L95 HydrophobicContact CD1-CG 4.2Å |
| 76 | R | 80.6 | Confident | 78.7 | Confident | 150 Ų | 150 | 92 Ų | 92 | 57% | 0.566 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.8 | -44.9 | 172.7 | -77 | 175.1 | -177.8 | 170.2 | 2 | 112 | I72 E73 R74 L79 E80 | I72-R76 VanDerWaalsContact O-CG 3.31Å; I72-R76 WeakPolarHBondContact O-CG 3.27Å; I72-R76 PolarHBondContact O-N 3.43Å; E73-R76 PolarHBondContact O-N 3.21Å; E73-R76 IonicContact OE2-NH1 3.47Å; R74-R76 VanDerWaalsContact C-N 3.34Å; R74-R76 PolarHBondContact O-N 3.41Å; R76-L79 PolarHBondContact O-N 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.45Å; R76-E80 PolarHBondContact O-N 3.02Å |
| 77 | R | 82.8 | Confident | 76.7 | Confident | 132 Ų | 132 | 90.3 Ų | 90.3 | 50% | 0.498 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 177.1 | -171.1 | 176.5 | -60.7 | 120.5 | 12.2 | 111.6 | E73 R74 L75 L79 E80 E81 | E73-R77 PolarHBondContact O-N 2.99Å; E73-R77 IonicContact OE1-NH2 3.67Å; R74-R77 PolarHBondContact O-N 3.41Å; L75-R77 VanDerWaalsContact C-N 3.35Å; L75-R77 PolarHBondContact O-N 3.21Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.4Å; R77-E80 PolarHBondContact O-N 3.38Å; R77-E80 VanDerWaalsContact O-N 3.15Å; R77-E81 WeakPolarHBondContact CG-OE1 3.38Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.37Å |
| 78 | A | 78.6 | Confident | 74.7 | Confident | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R74 L75 E81 A82 | R74-A78 PolarHBondContact O-N 2.96Å; L75-A78 PolarHBondContact O-N 2.94Å; A78-E81 PolarHBondContact O-N 3.39Å; A78-A82 WeakPolarHBondContact O-CB 3.22Å; A78-A82 PolarHBondContact O-N 3.29Å |
| 79 | L | 73 | Confident | 72.9 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 40% | 0.398 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 174.4 | -75.3 | 170.3 | 0 | 0 | 0 | 113 | L75 R76 R77 R83 L92 | L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 3.49Å; R76-L79 PolarHBondContact O-N 3.24Å; R77-L79 VanDerWaalsContact C-N 3.32Å; R77-L79 PolarHBondContact O-N 3.4Å; L79-R83 PolarHBondContact O-N 2.79Å; L79-L92 HydrophobicContact CD1-CD1 4.1Å; L79-L92 HydrophobicContact CD1-CD2 4.1Å |
| 80 | E | 74.4 | Confident | 71.3 | Confident | 140 Ų | 140 | 96.6 Ų | 96.6 | 65% | 0.654 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.3 | -37.4 | 177.3 | -172.3 | 147.9 | -149.3 | 0 | 0 | 111.8 | R76 R77 R83 | R76-E80 WeakPolarHBondContact O-CB 3.45Å; R76-E80 PolarHBondContact O-N 3.02Å; R77-E80 PolarHBondContact O-N 3.38Å; R77-E80 VanDerWaalsContact O-N 3.15Å; E80-R83 WeakPolarHBondContact O-CB 3.43Å; E80-R83 PolarHBondContact O-N 2.96Å |
| 81 | E | 71.5 | Confident | 69.7 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.664 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.3 | -37.7 | 172.1 | -70.3 | 171 | -172.1 | 0 | 0 | 111.9 | R77 A78 R83 | R77-E81 WeakPolarHBondContact CG-OE1 3.38Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.37Å; A78-E81 PolarHBondContact O-N 3.39Å; E81-R83 PolarHBondContact O-N 3.43Å |
| 82 | A | 68.1 | Low | 68.4 | Low | 20 Ų | 20 | 98 Ų | 98 | 17% | 0.165 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -73.6 | -7.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A78 D84 H85 N87 | A78-A82 WeakPolarHBondContact O-CB 3.22Å; A78-A82 PolarHBondContact O-N 3.29Å; A82-D84 PolarHBondContact O-N 2.95Å; A82-H85 CarbonylContact O-C 3.45Å; A82-H85 PolarHBondContact O-N 2.89Å; A82-N87 HydrophobicContact CB-CB 4.08Å; A82-N87 VanDerWaalsContact CB-ND2 3.34Å; A82-N87 WeakPolarHBondContact CB-ND2 3.4Å |
| 83 | R | 60.2 | Low | 68 | Low | 198 Ų | 198 | 101.2 Ų | 101.2 | 75% | 0.747 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -64.9 | -9.5 | -173.2 | -138.1 | 177.3 | 85.2 | -172.8 | 4.5 | 114.3 | L79 E80 E81 | L79-R83 PolarHBondContact O-N 2.79Å; E80-R83 WeakPolarHBondContact O-CB 3.43Å; E80-R83 PolarHBondContact O-N 2.96Å; E81-R83 PolarHBondContact O-N 3.43Å |
| 84 | D | 59.9 | Low | 67.8 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 80% | 0.802 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -88.1 | -14.1 | 172.1 | -76.8 | -16.5 | 0 | 0 | 0 | 114.2 | A82 | A82-D84 PolarHBondContact O-N 2.95Š|
| 85 | H | 51.3 | Low | 67.6 | Low | 148 Ų | 148 | 92.8 Ų | 92.8 | 69% | 0.685 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -131.6 | 118.9 | 177 | -66.9 | -25.2 | 0 | 0 | 0 | 109.8 | A82 N87 | A82-H85 CarbonylContact O-C 3.45Å; A82-H85 PolarHBondContact O-N 2.89Å; H85-N87 PolarHBondContact O-N 3.2Å; H85-N87 PolarHBondContact O-OD1 2.94Å |
| 86 | K | 49.7 | Very low | 67.4 | Low | 223 Ų | 223 | 92.8 Ų | 92.8 | 97% | 0.97 | 45% | 0.445 | S | S | * | . | trans | -47.7 | 92.2 | -178.2 | -71.9 | 175.3 | 174.2 | 178.2 | 0 | 111.7 | ||||
| 87 | N | 49.7 | Very low | 67.3 | Low | 82 Ų | 82 | 91 Ų | 91 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | trans | -100.2 | 137.2 | -173 | -88.8 | 3.4 | 0 | 0 | 0 | 113.1 | A82 H85 Y91 | A82-N87 HydrophobicContact CB-CB 4.08Å; A82-N87 VanDerWaalsContact CB-ND2 3.34Å; A82-N87 WeakPolarHBondContact CB-ND2 3.4Å; H85-N87 PolarHBondContact O-N 3.2Å; H85-N87 PolarHBondContact O-OD1 2.94Å; N87-Y91 HydrophobicContact CB-CE2 4.13Å | ||
| 88 | D | 53.6 | Low | 67 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | trans | -59.1 | 132.2 | -179.3 | -164.6 | -24.8 | 0 | 0 | 0 | 111.4 | S90 Y91 | D88-S90 PolarHBondContact O-N 2.54Å; D88-S90 PolarHBondContact OD1-N 3.28Å; D88-Y91 WeakPolarHBondContact O-CD2 3.45Å | ||
| 89 | P | 53.9 | Low | 67.1 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -60.1 | -7 | 176.9 | 22.7 | -33.4 | 0 | 0 | 0 | 115.1 | Y91 L92 | P89-Y91 PolarHBondContact O-N 2.86Å; P89-L92 PolarHBondContact O-N 3.21Å |
| 90 | S | 59.4 | Low | 67.5 | Low | 40 Ų | 40 | 93.8 Ų | 93.8 | 28% | 0.28 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -46.1 | -33.6 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 114.5 | D88 L92 E93 | D88-S90 PolarHBondContact O-N 2.54Å; D88-S90 PolarHBondContact OD1-N 3.28Å; S90-L92 PolarHBondContact O-N 2.93Å; S90-L92 VanDerWaalsContact O-N 3.08Å; S90-E93 WeakPolarHBondContact O-CB 3.5Å; S90-E93 WeakPolarHBondContact O-CG 3.39Å; S90-E93 PolarHBondContact O-N 3.22Å |
| 91 | Y | 59.2 | Low | 68.2 | Low | 69 Ų | 69 | 89.5 Ų | 89.5 | 27% | 0.271 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -62.4 | -15.5 | 179.2 | -64.3 | -72.5 | 0 | 0 | 0 | 115.3 | E14 L75 N87 D88 P89 | E14-Y91 WeakPolarHBondContact OE1-CE1 3.39Å; E14-Y91 WeakPolarHBondContact OE2-CD1 3.31Å; E14-Y91 WeakPolarHBondContact OE2-CE1 3.47Å; L75-Y91 WeakPolarHBondContact CD2-O 3.43Å; N87-Y91 HydrophobicContact CB-CE2 4.13Å; D88-Y91 WeakPolarHBondContact O-CD2 3.45Å; P89-Y91 PolarHBondContact O-N 2.86Å |
| 92 | L | 63.3 | Low | 69.2 | Low | 35 Ų | 35 | 83.5 Ų | 83.5 | 18% | 0.183 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -105.7 | 4.7 | -176.8 | -57.2 | 178.1 | 0 | 0 | 0 | 113.1 | L75 L79 P89 S90 H94 | L75-L92 HydrophobicContact CB-CD2 3.86Å; L75-L92 HydrophobicContact CD1-CD2 3.84Å; L75-L92 HydrophobicContact CD2-CD2 4.3Å; L75-L92 HydrophobicContact CG-CD2 4.21Å; L79-L92 HydrophobicContact CD1-CD1 4.1Å; L79-L92 HydrophobicContact CD1-CD2 4.1Å; P89-L92 PolarHBondContact O-N 3.21Å; S90-L92 PolarHBondContact O-N 2.93Å; S90-L92 VanDerWaalsContact O-N 3.08Å; L92-H94 PolarHBondContact O-N 3.06Å |
| 93 | E | 78.6 | Confident | 70.3 | Confident | 84 Ų | 84 | 84.3 Ų | 84.3 | 39% | 0.393 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -22.4 | -168.9 | -70.8 | -174.2 | 173 | 0 | 0 | 114.1 | S90 L95 K113 | S90-E93 WeakPolarHBondContact O-CB 3.5Å; S90-E93 WeakPolarHBondContact O-CG 3.39Å; S90-E93 PolarHBondContact O-N 3.22Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.36Å; E93-K113 HydrophobicContact CB-CD 4.1Å; E93-K113 HydrophobicContact CB-CG 4.46Å |
| 94 | H | 82 | Confident | 71.8 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.023 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.5 | -176.4 | 63.3 | -71.5 | 0 | 0 | 0 | 114.9 | Y15 Y18 E71 L92 L110 K113 | Y15-H94 VanDerWaalsContact CB-CD2 3.48Å; Y15-H94 WeakPolarHBondContact CB-CD2 3.48Å; Y15-H94 WeakPolarHBondContact CB-NE2 3.43Å; Y15-H94 HydrophobicContact CD1-CB 4.12Å; Y15-H94 AromaticContact CD1-CG 3.88Å; Y15-H94 AromaticContact CD1-ND1 3.97Å; Y15-H94 HydrophobicContact CD2-CB 4.32Å; Y15-H94 HydrophobicContact CE1-CB 4.28Å; Y15-H94 HydrophobicContact CE2-CB 4.45Å; Y15-H94 HydrophobicContact CG-CB 4.15Å; Y15-H94 AromaticContact CG-CD2 3.68Å; Y15-H94 AromaticContact CG-CG 3.8Å; Y18-H94 AromaticContact CD1-CD2 3.57Å; Y18-H94 AromaticContact CE1-CD2 3.74Å; E71-H94 IonicContact OE1-CE1 3.95Å; E71-H94 IonicContact OE1-NE2 2.76Å; E71-H94 PolarHBondContact OE1-NE2 2.72Å; L92-H94 PolarHBondContact O-N 3.06Å; H94-L110 HydrophobicContact CB-CD1 4.18Å; H94-L110 WeakPolarHBondContact O-CA 3.3Å; H94-L110 PolarHBondContact O-N 3.05Å; H94-K113 HydrophobicContact CB-CB 4.05Å; H94-K113 HydrophobicContact CB-CG 3.77Å |
| 95 | L | 85.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -147.3 | 165.4 | 176.8 | 65.9 | 81 | 0 | 0 | 0 | 113.9 | Y18 E71 I72 L75 E93 H97 K109 | Y18-L95 HydrophobicContact CE1-CB 4.5Å; Y18-L95 HydrophobicContact CE1-CD2 4.35Å; E71-L95 HydrophobicContact CB-CD2 4.16Å; E71-L95 HydrophobicContact CG-CD2 3.56Å; I72-L95 HydrophobicContact CG1-CD1 4.09Å; I72-L95 HydrophobicContact CG1-CD2 4.49Å; L75-L95 HydrophobicContact CD1-CD1 4.5Å; L75-L95 HydrophobicContact CD1-CD2 3.8Å; L75-L95 HydrophobicContact CD1-CG 4.2Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 3.36Å; L95-H97 HydrophobicContact CD1-CB 3.96Å; L95-K109 WeakPolarHBondContact O-CD 3.19Å; L95-K109 PolarHBondContact O-NZ 3.15Å; L95-K109 VanDerWaalsContact O-NZ 3.11Å |
| 96 | D | 81.1 | Confident | 75.2 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 9% | 0.086 | 36% | 0.358 | C | S | . | . | trans | -94.7 | 95.7 | 171.6 | -172.4 | 5.8 | 0 | 0 | 0 | 111.1 | K68 A98 D106 K109 | K68-D96 WeakPolarHBondContact CE-O 3.37Å; K68-D96 PolarHBondContact NZ-O 3.41Å; D96-A98 PolarHBondContact O-N 3.16Å; D96-A98 VanDerWaalsContact OD1-CB 3.27Å; D96-A98 WeakPolarHBondContact OD1-CB 3.48Å; D96-A98 PolarHBondContact OD1-N 3.39Å; D96-D106 WeakPolarHBondContact CA-OD1 3.22Å; D96-D106 WeakPolarHBondContact CB-OD1 3.41Å; D96-D106 PolarHBondContact N-OD1 3.09Å; D96-K109 HydrophobicContact CB-CD 4.39Å | ||
| 97 | H | 77 | Confident | 77.2 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.3 | 179.1 | 61.8 | 33.5 | 0 | 0 | 0 | 113.9 | L95 K99 | L95-H97 HydrophobicContact CD1-CB 3.96Å; H97-K99 VanDerWaalsContact C-N 3.26Å; H97-K99 PolarHBondContact O-N 2.94Å |
| 98 | A | 77 | Confident | 79.2 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 65% | 0.653 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -21.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D96 | D96-A98 PolarHBondContact O-N 3.16Å; D96-A98 VanDerWaalsContact OD1-CB 3.27Å; D96-A98 WeakPolarHBondContact OD1-CB 3.48Å; D96-A98 PolarHBondContact OD1-N 3.39Å |
| 99 | K | 81.3 | Confident | 80.9 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 39% | 0.391 | 30% | 0.298 | S | S | . | . | trans | -122.6 | 141.5 | 178.7 | -60.6 | -177.6 | -168.9 | 171.4 | 0 | 110 | K68 H97 D103 | K68-K99 WeakPolarHBondContact CE-O 3.36Å; K68-K99 PolarHBondContact NZ-O 3.37Å; H97-K99 VanDerWaalsContact C-N 3.26Å; H97-K99 PolarHBondContact O-N 2.94Å; K99-D103 WeakPolarHBondContact CD-OD2 3.39Å; K99-D103 IonicContact NZ-OD2 2.74Å; K99-D103 PolarHBondContact NZ-OD2 3.04Å | ||
| 100 | E | 79.9 | Confident | 82.7 | Confident | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -76.9 | -33 | 175.9 | -64.1 | -177.6 | 167.1 | 0 | 0 | 112.3 | L69 | L69-E100 HydrophobicContact CD2-CB 4.41Š|
| 101 | A | 89.5 | Confident | 84.1 | Confident | 50 Ų | 50 | 53 Ų | 53 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.4 | 138.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | N65 K68 | N65-A101 WeakPolarHBondContact OD1-CA 3.34Å; K68-A101 PolarHBondContact NZ-O 2.98Å |
| 102 | F | 92.8 | Very high | 85.4 | Confident | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | trans | -75.6 | 117.4 | 170.1 | -173.2 | -80.6 | 0 | 0 | 0 | 108.7 | Y18 V22 L53 L64 N65 K68 D106 L107 | Y18-F102 VanDerWaalsContact OH-CE2 3.3Å; Y18-F102 WeakPolarHBondContact OH-CE2 3.3Å; V22-F102 HydrophobicContact CG1-CE2 4.17Å; V22-F102 HydrophobicContact CG1-CZ 3.8Å; V22-F102 HydrophobicContact CG2-CE2 3.95Å; V22-F102 HydrophobicContact CG2-CZ 4.41Å; L53-F102 HydrophobicContact CD1-CD1 4.49Å; L53-F102 HydrophobicContact CD1-CE1 4.14Å; L53-F102 HydrophobicContact CD2-CD1 3.93Å; L53-F102 HydrophobicContact CD2-CE1 3.87Å; L64-F102 HydrophobicContact CB-CB 3.94Å; L64-F102 HydrophobicContact CB-CD1 3.88Å; L64-F102 HydrophobicContact CB-CG 3.88Å; L64-F102 HydrophobicContact CD1-CD1 3.92Å; L64-F102 HydrophobicContact CD1-CE1 4.06Å; L64-F102 HydrophobicContact CD2-CD1 4.4Å; L64-F102 HydrophobicContact CD2-CE1 4.25Å; L64-F102 HydrophobicContact CD2-CZ 4.4Å; L64-F102 HydrophobicContact CG-CD1 4.3Å; N65-F102 PolarHBondContact OD1-N 3.45Å; K68-F102 HydrophobicContact CB-CB 4.24Å; K68-F102 HydrophobicContact CB-CD2 4.16Å; K68-F102 HydrophobicContact CD-CB 3.91Å; K68-F102 HydrophobicContact CD-CD2 4.17Å; K68-F102 HydrophobicContact CD-CG 4.49Å; F102-D106 WeakPolarHBondContact CA-OD2 3.48Å; F102-D106 HydrophobicContact CD1-CB 4.41Å; F102-D106 HydrophobicContact CD2-CB 3.68Å; F102-D106 HydrophobicContact CE1-CB 4.38Å; F102-D106 HydrophobicContact CE2-CB 3.66Å; F102-D106 HydrophobicContact CG-CB 4.08Å; F102-D106 HydrophobicContact CZ-CB 4.02Å; F102-L107 HydrophobicContact CE1-CB 3.96Å; F102-L107 HydrophobicContact CZ-CB 3.86Å | ||
| 103 | D | 91.2 | Very high | 86.7 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | trans | -123.6 | -177.5 | 179.8 | 78.2 | 24 | 0 | 0 | 0 | 112.2 | L53 K99 R105 D106 L107 | L53-D103 WeakPolarHBondContact CD2-O 3.2Å; K99-D103 WeakPolarHBondContact CD-OD2 3.39Å; K99-D103 IonicContact NZ-OD2 2.74Å; K99-D103 PolarHBondContact NZ-OD2 3.04Å; D103-R105 PolarHBondContact O-N 3.33Å; D103-R105 VanDerWaalsContact O-N 3.16Å; D103-R105 WeakPolarHBondContact OD1-CA 3.3Å; D103-R105 WeakPolarHBondContact OD1-CB 3.36Å; D103-R105 PolarHBondContact OD1-N 3.22Å; D103-D106 PolarHBondContact N-OD2 3.17Å; D103-D106 WeakPolarHBondContact O-CB 3.45Å; D103-D106 PolarHBondContact O-N 3.05Å; D103-L107 PolarHBondContact O-N 3.08Å | ||
| 104 | K | 92.1 | Very high | 87.1 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53 | -37 | -179.2 | 175.6 | -179.5 | 178.4 | -167.5 | 0 | 112 | A50 E51 D106 L107 E108 | A50-K104 HydrophobicContact CB-CG 3.66Å; A50-K104 WeakPolarHBondContact O-CG 3.1Å; E51-K104 HydrophobicContact CG-CD 4.09Å; E51-K104 IonicContact OE1-NZ 3.19Å; E51-K104 PolarHBondContact OE1-NZ 3.12Å; K104-D106 VanDerWaalsContact C-N 3.32Å; K104-D106 PolarHBondContact O-N 3.47Å; K104-L107 PolarHBondContact O-N 2.97Å; K104-E108 WeakPolarHBondContact O-CB 3.26Å; K104-E108 PolarHBondContact O-N 3.37Å |
| 105 | R | 90 | Very high | 87.2 | Confident | 149 Ų | 149 | 53.7 Ų | 53.7 | 56% | 0.562 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.1 | -32.2 | -177.7 | -60.7 | 179.5 | 172.6 | -178.1 | -3.9 | 111.8 | D103 K109 | D103-R105 PolarHBondContact O-N 3.33Å; D103-R105 VanDerWaalsContact O-N 3.16Å; D103-R105 WeakPolarHBondContact OD1-CA 3.3Å; D103-R105 WeakPolarHBondContact OD1-CB 3.36Å; D103-R105 PolarHBondContact OD1-N 3.22Å; R105-K109 VanDerWaalsContact O-CB 3.31Å; R105-K109 WeakPolarHBondContact O-CB 3.45Å; R105-K109 VanDerWaalsContact O-CG 3.29Å; R105-K109 WeakPolarHBondContact O-CG 3.39Å; R105-K109 PolarHBondContact O-N 3.15Å |
| 106 | D | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 174.8 | -66.8 | -72.8 | 0 | 0 | 0 | 111.1 | K68 D96 F102 D103 K104 K109 L110 | K68-D106 WeakPolarHBondContact CE-OD1 3.23Å; K68-D106 IonicContact NZ-OD1 3.91Å; K68-D106 PolarHBondContact NZ-OD1 2.99Å; K68-D106 IonicContact NZ-OD2 2.74Å; K68-D106 PolarHBondContact NZ-OD2 3.4Å; D96-D106 WeakPolarHBondContact CA-OD1 3.22Å; D96-D106 WeakPolarHBondContact CB-OD1 3.41Å; D96-D106 PolarHBondContact N-OD1 3.09Å; F102-D106 WeakPolarHBondContact CA-OD2 3.48Å; F102-D106 HydrophobicContact CD1-CB 4.41Å; F102-D106 HydrophobicContact CD2-CB 3.68Å; F102-D106 HydrophobicContact CE1-CB 4.38Å; F102-D106 HydrophobicContact CE2-CB 3.66Å; F102-D106 HydrophobicContact CG-CB 4.08Å; F102-D106 HydrophobicContact CZ-CB 4.02Å; D103-D106 PolarHBondContact N-OD2 3.17Å; D103-D106 WeakPolarHBondContact O-CB 3.45Å; D103-D106 PolarHBondContact O-N 3.05Å; K104-D106 VanDerWaalsContact C-N 3.32Å; K104-D106 PolarHBondContact O-N 3.47Å; D106-K109 PolarHBondContact O-N 2.87Å; D106-L110 WeakPolarHBondContact O-CB 3.28Å; D106-L110 PolarHBondContact O-N 2.94Å |
| 107 | L | 93.1 | Very high | 87.5 | Confident | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 178.2 | -178.2 | 55 | 0 | 0 | 0 | 111.6 | V22 L26 F32 A50 L53 F102 D103 K104 L110 I111 | V22-L107 HydrophobicContact CG1-CD1 4.39Å; L26-L107 HydrophobicContact CD1-CD1 3.84Å; L26-L107 HydrophobicContact CD1-CD2 3.93Å; F32-L107 HydrophobicContact CE2-CD2 4.4Å; F32-L107 HydrophobicContact CZ-CD2 3.93Å; A50-L107 HydrophobicContact CB-CB 4.04Å; A50-L107 HydrophobicContact CB-CD2 3.97Å; A50-L107 HydrophobicContact CB-CG 3.95Å; L53-L107 HydrophobicContact CD1-CD2 4.41Å; F102-L107 HydrophobicContact CE1-CB 3.96Å; F102-L107 HydrophobicContact CZ-CB 3.86Å; D103-L107 PolarHBondContact O-N 3.08Å; K104-L107 PolarHBondContact O-N 2.97Å; L107-L110 PolarHBondContact O-N 2.82Å; L107-I111 HydrophobicContact CD1-CD1 3.91Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 WeakPolarHBondContact O-CB 3.1Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 2.88Å |
| 108 | E | 90.1 | Very high | 87.9 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176 | -177 | 178.8 | 179.7 | 0 | 0 | 112.1 | A50 K104 R112 | A50-E108 HydrophobicContact CB-CB 4.32Å; K104-E108 WeakPolarHBondContact O-CB 3.26Å; K104-E108 PolarHBondContact O-N 3.37Å; E108-R112 HydrophobicContact CG-CG 4.48Å; E108-R112 WeakPolarHBondContact O-CB 3.27Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.3Å; E108-R112 PolarHBondContact O-N 3.18Å; E108-R112 IonicContact OE1-CZ 3.66Å; E108-R112 VanDerWaalsContact OE1-CZ 3.29Å; E108-R112 IonicContact OE1-NE 3.79Å; E108-R112 PolarHBondContact OE1-NE 2.68Å; E108-R112 IonicContact OE1-NH2 2.94Å; E108-R112 PolarHBondContact OE1-NH2 3.29Å |
| 109 | K | 90.1 | Very high | 88.2 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.9 | -81.6 | -179.3 | 167.4 | -170.7 | 0 | 112 | L95 D96 R105 D106 I111 R112 K113 | L95-K109 WeakPolarHBondContact O-CD 3.19Å; L95-K109 PolarHBondContact O-NZ 3.15Å; L95-K109 VanDerWaalsContact O-NZ 3.11Å; D96-K109 HydrophobicContact CB-CD 4.39Å; R105-K109 VanDerWaalsContact O-CB 3.31Å; R105-K109 WeakPolarHBondContact O-CB 3.45Å; R105-K109 VanDerWaalsContact O-CG 3.29Å; R105-K109 WeakPolarHBondContact O-CG 3.39Å; R105-K109 PolarHBondContact O-N 3.15Å; D106-K109 PolarHBondContact O-N 2.87Å; K109-I111 PolarHBondContact O-N 2.68Å; K109-R112 PolarHBondContact O-N 3.12Å; K109-K113 WeakPolarHBondContact O-CB 3.48Å; K109-K113 PolarHBondContact O-N 2.78Å |
| 110 | L | 92.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 179.4 | 178.5 | 58.9 | 0 | 0 | 0 | 111 | Y15 Y18 L19 V22 H94 D106 L107 T114 | Y15-L110 HydrophobicContact CD2-CD1 3.76Å; Y15-L110 HydrophobicContact CE2-CD1 3.94Å; Y18-L110 HydrophobicContact CD1-CD1 3.86Å; Y18-L110 HydrophobicContact CD1-CD2 4.23Å; Y18-L110 HydrophobicContact CE1-CD1 3.84Å; Y18-L110 HydrophobicContact CE1-CD2 3.83Å; Y18-L110 HydrophobicContact CE1-CG 4.31Å; L19-L110 HydrophobicContact CB-CD1 4.32Å; L19-L110 HydrophobicContact CD1-CD1 4.04Å; L19-L110 HydrophobicContact CD1-CD2 3.87Å; L19-L110 HydrophobicContact CD1-CG 3.84Å; V22-L110 HydrophobicContact CB-CD2 4.01Å; V22-L110 HydrophobicContact CG1-CD2 3.87Å; V22-L110 HydrophobicContact CG2-CD2 4.12Å; H94-L110 HydrophobicContact CB-CD1 4.18Å; H94-L110 WeakPolarHBondContact O-CA 3.3Å; H94-L110 PolarHBondContact O-N 3.05Å; D106-L110 WeakPolarHBondContact O-CB 3.28Å; D106-L110 PolarHBondContact O-N 2.94Å; L107-L110 PolarHBondContact O-N 2.82Å; L110-T114 VanDerWaalsContact O-CB 3.31Å; L110-T114 WeakPolarHBondContact O-CB 3.41Å; L110-T114 PolarHBondContact O-N 3.09Å; L110-T114 PolarHBondContact O-OG1 3.25Å |
| 111 | I | 88.6 | Confident | 88.6 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.118 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -52.8 | 176.7 | -72.2 | 171 | 0 | 0 | 0 | 111.1 | I44 I49 L107 K109 K113 T114 A115 | I44-I111 WeakPolarHBondContact O-CG2 3.48Å; I49-I111 HydrophobicContact CG2-CD1 3.5Å; L107-I111 HydrophobicContact CD1-CD1 3.91Å; L107-I111 HydrophobicContact CD1-CG1 4.14Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 WeakPolarHBondContact O-CB 3.1Å; L107-I111 VanDerWaalsContact O-CG1 3.25Å; L107-I111 WeakPolarHBondContact O-CG1 3.5Å; L107-I111 PolarHBondContact O-N 2.88Å; K109-I111 PolarHBondContact O-N 2.68Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 2.66Å; I111-T114 PolarHBondContact O-N 2.82Å; I111-A115 WeakPolarHBondContact O-CB 3.34Å; I111-A115 PolarHBondContact O-N 3.04Å |
| 112 | R | 87 | Confident | 88.3 | Confident | 132 Ų | 132 | 49.9 Ų | 49.9 | 50% | 0.498 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -40.5 | -177.5 | -73.6 | 175.3 | -177.9 | -87.9 | 1.8 | 112 | E108 K109 K116 | E108-R112 HydrophobicContact CG-CG 4.48Å; E108-R112 WeakPolarHBondContact O-CB 3.27Å; E108-R112 VanDerWaalsContact O-CG 3.26Å; E108-R112 WeakPolarHBondContact O-CG 3.3Å; E108-R112 PolarHBondContact O-N 3.18Å; E108-R112 IonicContact OE1-CZ 3.66Å; E108-R112 VanDerWaalsContact OE1-CZ 3.29Å; E108-R112 IonicContact OE1-NE 3.79Å; E108-R112 PolarHBondContact OE1-NE 2.68Å; E108-R112 IonicContact OE1-NH2 2.94Å; E108-R112 PolarHBondContact OE1-NH2 3.29Å; K109-R112 PolarHBondContact O-N 3.12Å; R112-K116 VanDerWaalsContact O-CB 3.27Å; R112-K116 WeakPolarHBondContact O-CB 3.14Å; R112-K116 PolarHBondContact O-N 2.89Å |
| 113 | K | 89.2 | Confident | 88.1 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -43 | 178.3 | -177.1 | 51.3 | 175.7 | 160.3 | 0 | 110.7 | Y15 E93 H94 K109 I111 K116 D117 | Y15-K113 HydrophobicContact CE1-CG 3.99Å; Y15-K113 VanDerWaalsContact OH-C 3.25Å; Y15-K113 PolarHBondContact OH-O 3.37Å; E93-K113 HydrophobicContact CB-CD 4.1Å; E93-K113 HydrophobicContact CB-CG 4.46Å; H94-K113 HydrophobicContact CB-CB 4.05Å; H94-K113 HydrophobicContact CB-CG 3.77Å; K109-K113 WeakPolarHBondContact O-CB 3.48Å; K109-K113 PolarHBondContact O-N 2.78Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 2.66Å; K113-K116 PolarHBondContact O-N 3.16Å; K113-D117 VanDerWaalsContact CD-OD2 3.31Å; K113-D117 WeakPolarHBondContact CD-OD2 3.28Å; K113-D117 WeakPolarHBondContact CE-OD1 3.34Å; K113-D117 WeakPolarHBondContact CE-OD2 3.27Å; K113-D117 VanDerWaalsContact NZ-CG 3.33Å; K113-D117 IonicContact NZ-OD1 3.66Å; K113-D117 PolarHBondContact NZ-OD1 3.01Å; K113-D117 IonicContact NZ-OD2 3.12Å; K113-D117 PolarHBondContact NZ-OD2 3.15Å; K113-D117 VanDerWaalsContact NZ-OD2 3.16Å; K113-D117 WeakPolarHBondContact O-CB 3.21Å; K113-D117 PolarHBondContact O-N 2.92Å |
| 114 | T | 87.8 | Confident | 88 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -52.8 | 173.8 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | L13 Y15 L19 L110 I111 K116 D117 L118 | L13-T114 HydrophobicContact CD1-CG2 3.93Å; Y15-T114 WeakPolarHBondContact CE2-OG1 3.5Å; Y15-T114 WeakPolarHBondContact OH-CA 3.44Å; Y15-T114 PolarHBondContact OH-N 3.38Å; L19-T114 HydrophobicContact CD2-CG2 3.75Å; L110-T114 VanDerWaalsContact O-CB 3.31Å; L110-T114 WeakPolarHBondContact O-CB 3.41Å; L110-T114 PolarHBondContact O-N 3.09Å; L110-T114 PolarHBondContact O-OG1 3.25Å; I111-T114 PolarHBondContact O-N 2.82Å; T114-K116 VanDerWaalsContact C-N 3.34Å; T114-K116 PolarHBondContact O-N 2.82Å; T114-D117 PolarHBondContact O-N 2.99Å; T114-L118 HydrophobicContact CG2-CD1 3.96Å; T114-L118 HydrophobicContact CG2-CG 4.31Å; T114-L118 WeakPolarHBondContact O-CB 3.3Å; T114-L118 VanDerWaalsContact O-CG 3.22Å; T114-L118 WeakPolarHBondContact O-CG 3.12Å; T114-L118 PolarHBondContact O-N 3.21Å |
| 115 | A | 84.5 | Confident | 87.6 | Confident | 34 Ų | 34 | 53 Ų | 53 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I111 E119 | I111-A115 WeakPolarHBondContact O-CB 3.34Å; I111-A115 PolarHBondContact O-N 3.04Å; A115-E119 WeakPolarHBondContact O-CB 3.37Å; A115-E119 PolarHBondContact O-N 2.76Å |
| 116 | K | 85.2 | Confident | 87.6 | Confident | 105 Ų | 105 | 49.7 Ų | 49.7 | 46% | 0.457 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.6 | -178.4 | -176.7 | 174 | -168.9 | 0 | 112.4 | R112 K113 T114 E119 I120 | R112-K116 VanDerWaalsContact O-CB 3.27Å; R112-K116 WeakPolarHBondContact O-CB 3.14Å; R112-K116 PolarHBondContact O-N 2.89Å; K113-K116 PolarHBondContact O-N 3.16Å; T114-K116 VanDerWaalsContact C-N 3.34Å; T114-K116 PolarHBondContact O-N 2.82Å; K116-E119 PolarHBondContact O-N 3.36Å; K116-I120 HydrophobicContact CG-CD1 3.97Å; K116-I120 VanDerWaalsContact O-CG1 3.26Å; K116-I120 WeakPolarHBondContact O-CG1 3.13Å; K116-I120 PolarHBondContact O-N 3.32Å |
| 117 | D | 87.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | -178.7 | -69.3 | -16 | 0 | 0 | 0 | 111.4 | L13 Y15 K113 T114 I120 M121 | L13-D117 HydrophobicContact CD2-CB 3.53Å; Y15-D117 VanDerWaalsContact CE1-OD2 3.27Å; Y15-D117 WeakPolarHBondContact CE1-OD2 3.34Å; Y15-D117 PolarHBondContact OH-OD2 3.22Å; K113-D117 VanDerWaalsContact CD-OD2 3.31Å; K113-D117 WeakPolarHBondContact CD-OD2 3.28Å; K113-D117 WeakPolarHBondContact CE-OD1 3.34Å; K113-D117 WeakPolarHBondContact CE-OD2 3.27Å; K113-D117 VanDerWaalsContact NZ-CG 3.33Å; K113-D117 IonicContact NZ-OD1 3.66Å; K113-D117 PolarHBondContact NZ-OD1 3.01Å; K113-D117 IonicContact NZ-OD2 3.12Å; K113-D117 PolarHBondContact NZ-OD2 3.15Å; K113-D117 VanDerWaalsContact NZ-OD2 3.16Å; K113-D117 WeakPolarHBondContact O-CB 3.21Å; K113-D117 PolarHBondContact O-N 2.92Å; T114-D117 PolarHBondContact O-N 2.99Å; D117-I120 PolarHBondContact O-N 2.81Å; D117-M121 WeakPolarHBondContact O-CE 3.48Å; D117-M121 WeakPolarHBondContact O-CG 3.36Å; D117-M121 PolarHBondContact O-N 3.26Å |
| 118 | L | 84.5 | Confident | 87.4 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 172.1 | -68.6 | 176.4 | 0 | 0 | 0 | 111.6 | Y11 L13 T114 I120 M121 D122 | Y11-L118 VanDerWaalsContact CB-CD2 3.46Å; Y11-L118 HydrophobicContact CD1-CD2 3.47Å; Y11-L118 VanDerWaalsContact CD1-CD2 3.47Å; Y11-L118 HydrophobicContact CD2-CD2 3.54Å; Y11-L118 HydrophobicContact CE1-CD2 4.05Å; Y11-L118 HydrophobicContact CE2-CD2 4.12Å; Y11-L118 HydrophobicContact CG-CD2 3.18Å; L13-L118 HydrophobicContact CD1-CD2 4.41Å; T114-L118 HydrophobicContact CG2-CD1 3.96Å; T114-L118 HydrophobicContact CG2-CG 4.31Å; T114-L118 WeakPolarHBondContact O-CB 3.3Å; T114-L118 VanDerWaalsContact O-CG 3.22Å; T114-L118 WeakPolarHBondContact O-CG 3.12Å; T114-L118 PolarHBondContact O-N 3.21Å; L118-I120 PolarHBondContact O-N 2.89Å; L118-M121 HydrophobicContact CD2-CE 3.89Å; L118-M121 PolarHBondContact O-N 3.2Å; L118-D122 WeakPolarHBondContact O-CB 3.02Å; L118-D122 PolarHBondContact O-N 3.08Å |
| 119 | E | 83.4 | Confident | 87.4 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.7 | -175.9 | -176.9 | -178.8 | 0 | 0 | 111.7 | A115 K116 D122 Q123 | A115-E119 WeakPolarHBondContact O-CB 3.37Å; A115-E119 PolarHBondContact O-N 2.76Å; K116-E119 PolarHBondContact O-N 3.36Å; E119-D122 PolarHBondContact O-N 2.82Å; E119-Q123 WeakPolarHBondContact O-CB 3.47Å; E119-Q123 VanDerWaalsContact O-CG 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.91Å; E119-Q123 PolarHBondContact OE1-NE2 3.24Å |
| 120 | I | 86.8 | Confident | 87.6 | Confident | 57 Ų | 57 | 55 Ų | 55 | 29% | 0.292 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.5 | -71.3 | 165.9 | 0 | 0 | 0 | 110.8 | K116 D117 L118 Q123 Q124 | K116-I120 HydrophobicContact CG-CD1 3.97Å; K116-I120 VanDerWaalsContact O-CG1 3.26Å; K116-I120 WeakPolarHBondContact O-CG1 3.13Å; K116-I120 PolarHBondContact O-N 3.32Å; D117-I120 PolarHBondContact O-N 2.81Å; L118-I120 PolarHBondContact O-N 2.89Å; I120-Q123 PolarHBondContact O-N 2.85Å; I120-Q124 HydrophobicContact CG2-CG 4.31Å; I120-Q124 WeakPolarHBondContact O-CB 3.42Å; I120-Q124 VanDerWaalsContact O-CG 3.25Å; I120-Q124 WeakPolarHBondContact O-CG 3.43Å; I120-Q124 PolarHBondContact O-N 3.27Å |
| 121 | M | 83.2 | Confident | 87.5 | Confident | 42 Ų | 42 | 60.5 Ų | 60.5 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -38.5 | 178.9 | -76.1 | -175.9 | -70.8 | 0 | 0 | 112.3 | Y11 L13 D117 L118 Q124 R125 | Y11-M121 HydrophobicContact CD1-CB 4.36Å; Y11-M121 HydrophobicContact CD1-CE 3.82Å; Y11-M121 HydrophobicContact CD1-SD 4.28Å; Y11-M121 HydrophobicContact CG-CE 4.16Å; L13-M121 HydrophobicContact CD2-CE 3.38Å; L13-M121 HydrophobicContact CG-CE 4Å; D117-M121 WeakPolarHBondContact O-CE 3.48Å; D117-M121 WeakPolarHBondContact O-CG 3.36Å; D117-M121 PolarHBondContact O-N 3.26Å; L118-M121 HydrophobicContact CD2-CE 3.89Å; L118-M121 PolarHBondContact O-N 3.2Å; M121-Q124 PolarHBondContact O-N 3.44Å; M121-R125 WeakPolarHBondContact O-CB 3.37Å; M121-R125 PolarHBondContact O-N 3.31Å |
| 122 | D | 84.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.9 | -177.6 | 48.7 | 0 | 0 | 0 | 111.6 | L118 E119 Q124 R125 Q126 R247 | L118-D122 WeakPolarHBondContact O-CB 3.02Å; L118-D122 PolarHBondContact O-N 3.08Å; E119-D122 PolarHBondContact O-N 2.82Å; D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 PolarHBondContact O-N 2.89Å; D122-R125 PolarHBondContact O-N 3.49Å; D122-Q126 VanDerWaalsContact CG-NE2 3.28Å; D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 3.41Å; D122-Q126 PolarHBondContact OD1-NE2 3.48Å; D122-Q126 PolarHBondContact OD2-NE2 3.27Å; D122-R247 IonicContact OD1-CZ 3.93Å; D122-R247 IonicContact OD1-NH1 3.79Å; D122-R247 IonicContact OD1-NH2 3.2Å; D122-R247 PolarHBondContact OD1-NH2 2.92Å; D122-R247 IonicContact OD2-NH2 2.76Å |
| 123 | Q | 88.5 | Confident | 88 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.4 | -73.5 | 176.6 | 7.6 | 0 | 0 | 112.3 | E119 I120 Q126 Q127 | E119-Q123 WeakPolarHBondContact O-CB 3.47Å; E119-Q123 VanDerWaalsContact O-CG 3.28Å; E119-Q123 WeakPolarHBondContact O-CG 3.44Å; E119-Q123 PolarHBondContact O-N 2.91Å; E119-Q123 PolarHBondContact OE1-NE2 3.24Å; I120-Q123 PolarHBondContact O-N 2.85Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q123-Q127 WeakPolarHBondContact O-CB 3.35Å; Q123-Q127 WeakPolarHBondContact O-CG 3.5Å; Q123-Q127 PolarHBondContact O-N 3.38Å |
| 124 | Q | 88.6 | Confident | 88.3 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 176 | -77.8 | 174.6 | -15.9 | 0 | 0 | 111 | I120 M121 D122 Q126 Q127 E128 A328 | I120-Q124 HydrophobicContact CG2-CG 4.31Å; I120-Q124 WeakPolarHBondContact O-CB 3.42Å; I120-Q124 VanDerWaalsContact O-CG 3.25Å; I120-Q124 WeakPolarHBondContact O-CG 3.43Å; I120-Q124 PolarHBondContact O-N 3.27Å; M121-Q124 PolarHBondContact O-N 3.44Å; D122-Q124 VanDerWaalsContact C-N 3.33Å; D122-Q124 PolarHBondContact O-N 2.89Å; Q124-Q126 VanDerWaalsContact C-N 3.35Å; Q124-Q126 PolarHBondContact O-N 3.18Å; Q124-Q127 WeakPolarHBondContact O-CB 3.34Å; Q124-Q127 PolarHBondContact O-N 3.04Å; Q124-Q127 VanDerWaalsContact O-N 3.12Å; Q124-E128 WeakPolarHBondContact O-CG 3.44Å; Q124-E128 PolarHBondContact O-N 3.36Å; Q124-A328 HydrophobicContact CG-CB 4.07Å; Q124-A328 PolarHBondContact NE2-O 3.2Å |
| 125 | R | 84 | Confident | 88.4 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 21% | 0.208 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.3 | -47.9 | 176.1 | -172.4 | -169.9 | -52.7 | -131.6 | -2.5 | 111.8 | E10 M121 D122 Q127 E128 Y129 E240 T243 | E10-R125 IonicContact OE1-CZ 2.68Å; E10-R125 IonicContact OE1-NH1 3.15Å; E10-R125 PolarHBondContact OE1-NH1 2.84Å; E10-R125 IonicContact OE1-NH2 2.82Å; E10-R125 PolarHBondContact OE1-NH2 3.31Å; M121-R125 WeakPolarHBondContact O-CB 3.37Å; M121-R125 PolarHBondContact O-N 3.31Å; D122-R125 PolarHBondContact O-N 3.49Å; R125-Q127 VanDerWaalsContact C-N 3.31Å; R125-Q127 PolarHBondContact O-N 3.48Å; R125-E128 PolarHBondContact O-N 2.93Å; R125-Y129 PolarHBondContact O-N 3.03Å; R125-E240 VanDerWaalsContact CD-OE2 3.31Å; R125-E240 WeakPolarHBondContact CD-OE2 3.31Å; R125-E240 WeakPolarHBondContact CG-OE2 3.27Å; R125-T243 PolarHBondContact NH1-OG1 3.17Å |
| 126 | Q | 88.5 | Confident | 88.8 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -35.6 | 177.6 | -70 | 172.3 | 23.8 | 0 | 0 | 112.6 | D122 Q123 Q124 K130 | D122-Q126 VanDerWaalsContact CG-NE2 3.28Å; D122-Q126 WeakPolarHBondContact O-CG 3.43Å; D122-Q126 PolarHBondContact O-N 3.41Å; D122-Q126 PolarHBondContact OD1-NE2 3.48Å; D122-Q126 PolarHBondContact OD2-NE2 3.27Å; Q123-Q126 PolarHBondContact O-N 3.04Å; Q124-Q126 VanDerWaalsContact C-N 3.35Å; Q124-Q126 PolarHBondContact O-N 3.18Å; Q126-K130 VanDerWaalsContact O-CB 3.28Å; Q126-K130 WeakPolarHBondContact O-CB 3.31Å; Q126-K130 PolarHBondContact O-N 3.37Å |
| 127 | Q | 91 | Very high | 89.2 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70 | -38.8 | 175.1 | -74.9 | 174.2 | 23.7 | 0 | 0 | 112.2 | Q123 Q124 R125 K130 R131 | Q123-Q127 WeakPolarHBondContact O-CB 3.35Å; Q123-Q127 WeakPolarHBondContact O-CG 3.5Å; Q123-Q127 PolarHBondContact O-N 3.38Å; Q124-Q127 WeakPolarHBondContact O-CB 3.34Å; Q124-Q127 PolarHBondContact O-N 3.04Å; Q124-Q127 VanDerWaalsContact O-N 3.12Å; R125-Q127 VanDerWaalsContact C-N 3.31Å; R125-Q127 PolarHBondContact O-N 3.48Å; Q127-K130 PolarHBondContact O-N 3.14Å; Q127-R131 VanDerWaalsContact O-CB 3.31Å; Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 2.91Å |
| 128 | E | 89.4 | Confident | 89.5 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.2 | -45 | 174.7 | -74 | 174.9 | -175.4 | 0 | 0 | 111.2 | Q124 R125 R131 H132 | Q124-E128 WeakPolarHBondContact O-CG 3.44Å; Q124-E128 PolarHBondContact O-N 3.36Å; R125-E128 PolarHBondContact O-N 2.93Å; E128-R131 PolarHBondContact O-N 3.12Å; E128-H132 PolarHBondContact O-N 3.43Å |
| 129 | Y | 92 | Very high | 89.8 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 9% | 0.09 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.6 | -52.3 | 172.3 | 176.6 | -114 | 0 | 0 | 0 | 111 | R125 R131 H132 E133 E237 E240 M284 A289 | R125-Y129 PolarHBondContact O-N 3.03Å; Y129-R131 PolarHBondContact O-N 3.39Å; Y129-H132 WeakPolarHBondContact O-CB 3.42Å; Y129-H132 PolarHBondContact O-N 3.01Å; Y129-H132 VanDerWaalsContact O-N 3.08Å; Y129-E133 HydrophobicContact CD2-CG 4.27Å; Y129-E133 HydrophobicContact CE1-CG 4.09Å; Y129-E133 HydrophobicContact CE2-CG 3.74Å; Y129-E133 VanDerWaalsContact CE2-OE1 3.28Å; Y129-E133 WeakPolarHBondContact CE2-OE1 3.4Å; Y129-E133 WeakPolarHBondContact O-CG 3.49Å; Y129-E133 PolarHBondContact O-N 3.29Å; Y129-E133 PolarHBondContact OH-OE2 3.32Å; Y129-E237 HydrophobicContact CE2-CB 4.43Å; Y129-E237 HydrophobicContact CE2-CG 4.11Å; Y129-E240 HydrophobicContact CD1-CG 4Å; Y129-E240 HydrophobicContact CD2-CB 4.04Å; Y129-E240 HydrophobicContact CD2-CG 4.23Å; Y129-E240 HydrophobicContact CE1-CG 4.37Å; Y129-E240 HydrophobicContact CE2-CB 4.46Å; Y129-E240 HydrophobicContact CG-CB 4.18Å; Y129-E240 HydrophobicContact CG-CG 3.93Å; Y129-M284 HydrophobicContact CE1-SD 4.24Å; Y129-M284 HydrophobicContact CE2-CE 4.5Å; Y129-A289 HydrophobicContact CD1-CB 4.45Å; Y129-A289 HydrophobicContact CE1-CB 3.92Å |
| 130 | K | 93.6 | Very high | 90.2 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -53.8 | -42.2 | 175.7 | 178.5 | -176.8 | -62.3 | -170.5 | 0 | 112.4 | Q126 Q127 M134 A289 F290 E294 | Q126-K130 VanDerWaalsContact O-CB 3.28Å; Q126-K130 WeakPolarHBondContact O-CB 3.31Å; Q126-K130 PolarHBondContact O-N 3.37Å; Q127-K130 PolarHBondContact O-N 3.14Å; K130-M134 HydrophobicContact CG-CE 4.21Å; K130-M134 WeakPolarHBondContact O-CG 3.46Å; K130-M134 PolarHBondContact O-N 3.04Å; K130-M134 VanDerWaalsContact O-N 3.08Å; K130-A289 WeakPolarHBondContact CE-O 3.49Å; K130-A289 WeakPolarHBondContact CG-O 3.21Å; K130-F290 HydrophobicContact CG-CB 4.07Å; K130-E294 IonicContact NZ-OE1 3.29Å; K130-E294 PolarHBondContact NZ-OE1 3.08Å |
| 131 | R | 91 | Very high | 90.5 | Very high | 116 Ų | 116 | 48.4 Ų | 48.4 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.8 | -175.9 | -177.9 | 172.1 | -141.7 | -3.1 | 111.5 | Q127 E128 Y129 M134 D135 Y298 | Q127-R131 VanDerWaalsContact O-CB 3.31Å; Q127-R131 WeakPolarHBondContact O-CB 3.46Å; Q127-R131 PolarHBondContact O-N 2.91Å; E128-R131 PolarHBondContact O-N 3.12Å; Y129-R131 PolarHBondContact O-N 3.39Å; R131-M134 PolarHBondContact O-N 2.87Å; R131-D135 IonicContact NE-OD2 2.61Å; R131-D135 PolarHBondContact O-N 3.17Å; R131-Y298 HydrophobicContact CG-CE2 3.93Å; R131-Y298 VanDerWaalsContact CG-OH 3.31Å; R131-Y298 WeakPolarHBondContact CG-OH 3.13Å; R131-Y298 PolarHBondContact NE-OH 3.1Å |
| 132 | H | 92.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.028 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56 | -51.3 | 174.8 | 175.5 | -99.1 | 0 | 0 | 0 | 111.5 | E128 Y129 M134 D135 E136 Q236 E237 | E128-H132 PolarHBondContact O-N 3.43Å; Y129-H132 WeakPolarHBondContact O-CB 3.42Å; Y129-H132 PolarHBondContact O-N 3.01Å; Y129-H132 VanDerWaalsContact O-N 3.08Å; H132-M134 VanDerWaalsContact C-N 3.26Å; H132-M134 PolarHBondContact O-N 3.32Å; H132-D135 WeakPolarHBondContact O-CB 3.36Å; H132-D135 PolarHBondContact O-N 2.87Å; H132-E136 VanDerWaalsContact CE1-CD 3.4Å; H132-E136 IonicContact CE1-OE1 3.88Å; H132-E136 IonicContact CE1-OE2 2.84Å; H132-E136 PolarHBondContact CE1-OE2 2.87Å; H132-E136 VanDerWaalsContact CE1-OE2 3.29Å; H132-E136 IonicContact ND1-OE2 3.2Å; H132-E136 PolarHBondContact O-N 3.44Å; H132-Q236 PolarHBondContact CD2-OE1 2.66Å; H132-Q236 PolarHBondContact NE2-OE1 3.19Å; H132-E237 IonicContact CE1-OE1 3.82Å; H132-E237 IonicContact CE1-OE2 2.64Å |
| 133 | E | 93.9 | Very high | 91 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -34.9 | 179.7 | -56.9 | -57.2 | 106.1 | 0 | 0 | 112 | Y129 E137 P286 A289 F290 | Y129-E133 HydrophobicContact CD2-CG 4.27Å; Y129-E133 HydrophobicContact CE1-CG 4.09Å; Y129-E133 HydrophobicContact CE2-CG 3.74Å; Y129-E133 VanDerWaalsContact CE2-OE1 3.28Å; Y129-E133 WeakPolarHBondContact CE2-OE1 3.4Å; Y129-E133 WeakPolarHBondContact O-CG 3.49Å; Y129-E133 PolarHBondContact O-N 3.29Å; Y129-E133 PolarHBondContact OH-OE2 3.32Å; E133-E137 VanDerWaalsContact O-CB 3.26Å; E133-E137 WeakPolarHBondContact O-CB 3.28Å; E133-E137 PolarHBondContact O-N 3.45Å; E133-P286 VanDerWaalsContact OE2-CA 3.23Å; E133-P286 WeakPolarHBondContact OE2-CA 3.3Å; E133-P286 WeakPolarHBondContact OE2-CB 3.31Å; E133-P286 WeakPolarHBondContact OE2-CG 3.33Å; E133-A289 HydrophobicContact CB-CB 3.98Å; E133-A289 HydrophobicContact CG-CB 3.7Å; E133-F290 HydrophobicContact CB-CD1 3.9Å; E133-F290 HydrophobicContact CB-CE1 3.82Å; E133-F290 WeakPolarHBondContact O-CE1 3.45Å |
| 134 | M | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69 | -39.4 | 173.1 | -72.7 | -170.2 | -58.6 | 0 | 0 | 112.6 | K130 R131 H132 E137 L138 F290 E294 L295 Y298 | K130-M134 HydrophobicContact CG-CE 4.21Å; K130-M134 WeakPolarHBondContact O-CG 3.46Å; K130-M134 PolarHBondContact O-N 3.04Å; K130-M134 VanDerWaalsContact O-N 3.08Å; R131-M134 PolarHBondContact O-N 2.87Å; H132-M134 VanDerWaalsContact C-N 3.26Å; H132-M134 PolarHBondContact O-N 3.32Å; M134-E137 PolarHBondContact O-N 3.29Å; M134-L138 WeakPolarHBondContact O-CB 3.41Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.37Å; M134-L138 PolarHBondContact O-N 3.05Å; M134-F290 HydrophobicContact CB-CD1 4.48Å; M134-F290 HydrophobicContact CG-CB 3.7Å; M134-F290 HydrophobicContact CG-CD1 3.56Å; M134-F290 HydrophobicContact CG-CD2 4.2Å; M134-F290 HydrophobicContact CG-CE1 4.25Å; M134-F290 HydrophobicContact CG-CG 3.54Å; M134-F290 HydrophobicContact SD-CB 4.03Å; M134-F290 HydrophobicContact SD-CG 4.41Å; M134-E294 HydrophobicContact SD-CB 4.2Å; M134-L295 HydrophobicContact CB-CD1 3.85Å; M134-L295 HydrophobicContact CG-CD1 3.86Å; M134-Y298 HydrophobicContact CB-CD1 3.67Å; M134-Y298 HydrophobicContact CB-CE1 3.97Å; M134-Y298 HydrophobicContact CB-CG 4.41Å; M134-Y298 HydrophobicContact CE-CD1 4.1Å; M134-Y298 HydrophobicContact CE-CD2 3.95Å; M134-Y298 HydrophobicContact CE-CE2 4.47Å; M134-Y298 HydrophobicContact CE-CG 3.77Å; M134-Y298 HydrophobicContact SD-CD1 4.28Å; M134-Y298 HydrophobicContact SD-CG 4.1Å |
| 135 | D | 91.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 175.8 | -79.9 | -33.8 | 0 | 0 | 0 | 110.5 | R131 H132 E137 L138 E139 Y298 | R131-D135 IonicContact NE-OD2 2.61Å; R131-D135 PolarHBondContact O-N 3.17Å; H132-D135 WeakPolarHBondContact O-CB 3.36Å; H132-D135 PolarHBondContact O-N 2.87Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 2.9Å; D135-L138 PolarHBondContact O-N 3.23Å; D135-E139 WeakPolarHBondContact O-CB 3.43Å; D135-E139 WeakPolarHBondContact O-CG 3.33Å; D135-E139 PolarHBondContact O-N 3.48Å; D135-Y298 WeakPolarHBondContact OD1-CE1 3.28Å; D135-Y298 PolarHBondContact OD1-OH 3.19Å; D135-Y298 PolarHBondContact OD2-OH 3.49Å; D135-Y298 VanDerWaalsContact OD2-OH 3.12Å |
| 136 | E | 92 | Very high | 91.2 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.2 | -70.3 | -160.2 | 111.6 | 0 | 0 | 112.1 | H132 E139 F140 | H132-E136 VanDerWaalsContact CE1-CD 3.4Å; H132-E136 IonicContact CE1-OE1 3.88Å; H132-E136 IonicContact CE1-OE2 2.84Å; H132-E136 PolarHBondContact CE1-OE2 2.87Å; H132-E136 VanDerWaalsContact CE1-OE2 3.29Å; H132-E136 IonicContact ND1-OE2 3.2Å; H132-E136 PolarHBondContact O-N 3.44Å; E136-E139 PolarHBondContact O-N 3.35Å; E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 PolarHBondContact O-N 2.93Å |
| 137 | E | 93.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.8 | 169.5 | 60.4 | 172.4 | 0 | 0 | 112.4 | E133 M134 D135 F140 R141 R159 F290 L295 | E133-E137 VanDerWaalsContact O-CB 3.26Å; E133-E137 WeakPolarHBondContact O-CB 3.28Å; E133-E137 PolarHBondContact O-N 3.45Å; M134-E137 PolarHBondContact O-N 3.29Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 2.9Å; E137-F140 PolarHBondContact O-N 3.45Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 3.43Å; E137-R141 IonicContact OE1-CZ 3.11Å; E137-R141 IonicContact OE1-NE 3.5Å; E137-R141 PolarHBondContact OE1-NE 2.94Å; E137-R141 IonicContact OE1-NH2 3.6Å; E137-R141 PolarHBondContact OE1-NH2 2.9Å; E137-R159 IonicContact OE1-NH1 3.61Å; E137-R159 IonicContact OE2-CZ 2.8Å; E137-R159 IonicContact OE2-NH1 2.82Å; E137-R159 PolarHBondContact OE2-NH1 3.39Å; E137-R159 IonicContact OE2-NH2 3.66Å; E137-R159 PolarHBondContact OE2-NH2 2.58Å; E137-F290 HydrophobicContact CB-CE1 4.23Å; E137-F290 HydrophobicContact CB-CZ 3.74Å; E137-F290 HydrophobicContact CG-CE2 4.16Å; E137-F290 HydrophobicContact CG-CZ 3.72Å; E137-L295 HydrophobicContact CB-CD1 4.02Å; E137-L295 HydrophobicContact CG-CD1 3.64Å; E137-L295 HydrophobicContact CG-CD2 3.44Å; E137-L295 VanDerWaalsContact CG-CD2 3.44Å; E137-L295 HydrophobicContact CG-CG 4.18Å |
| 138 | L | 93.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.3 | -40.1 | 178.1 | -70.5 | 178.9 | 0 | 0 | 0 | 112.1 | M134 D135 F140 R141 H142 L295 Y298 E299 W302 | M134-L138 WeakPolarHBondContact O-CB 3.41Å; M134-L138 VanDerWaalsContact O-CG 3.27Å; M134-L138 WeakPolarHBondContact O-CG 3.37Å; M134-L138 PolarHBondContact O-N 3.05Å; D135-L138 PolarHBondContact O-N 3.23Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.01Å; L138-R141 PolarHBondContact O-N 2.77Å; L138-H142 WeakPolarHBondContact O-CB 3.06Å; L138-H142 PolarHBondContact O-N 3.32Å; L138-L295 HydrophobicContact CD2-CD1 3.99Å; L138-L295 HydrophobicContact CD2-CG 4.18Å; L138-L295 HydrophobicContact CG-CD1 3.88Å; L138-Y298 HydrophobicContact CD1-CD1 3.56Å; L138-Y298 HydrophobicContact CD1-CE1 3.99Å; L138-E299 HydrophobicContact CD1-CB 4.21Å; L138-E299 HydrophobicContact CD2-CB 3.77Å; L138-E299 HydrophobicContact CD2-CG 3.79Å; L138-W302 HydrophobicContact CB-CD2 3.89Å; L138-W302 HydrophobicContact CB-CE3 4.2Å; L138-W302 HydrophobicContact CB-CG 4.27Å; L138-W302 HydrophobicContact CB-CZ2 4.24Å; L138-W302 HydrophobicContact CD1-CB 3.5Å; L138-W302 HydrophobicContact CD1-CD2 3.84Å; L138-W302 HydrophobicContact CD1-CE3 4.31Å; L138-W302 HydrophobicContact CD1-CG 3.46Å; L138-W302 VanDerWaalsContact CD1-CG 3.46Å |
| 139 | E | 91.2 | Very high | 91.6 | Very high | 74 Ų | 74 | 51.5 Ų | 51.5 | 35% | 0.346 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 172.9 | -76.6 | -172.1 | -176.1 | 0 | 0 | 111.3 | D135 E136 H142 S143 W302 | D135-E139 WeakPolarHBondContact O-CB 3.43Å; D135-E139 WeakPolarHBondContact O-CG 3.33Å; D135-E139 PolarHBondContact O-N 3.48Å; E136-E139 PolarHBondContact O-N 3.35Å; E139-H142 PolarHBondContact O-N 3.07Å; E139-S143 WeakPolarHBondContact O-CB 3.41Å; E139-S143 PolarHBondContact O-N 3.49Å; E139-W302 HydrophobicContact CG-CZ2 3.83Å |
| 140 | F | 92.6 | Very high | 91.6 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 20% | 0.202 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.4 | -54.6 | 174.5 | 178.9 | -99 | 0 | 0 | 0 | 111.2 | E136 E137 L138 H142 S143 L144 A155 E156 R159 | E136-F140 WeakPolarHBondContact O-CB 3.41Å; E136-F140 PolarHBondContact O-N 2.93Å; E137-F140 PolarHBondContact O-N 3.45Å; L138-F140 VanDerWaalsContact C-N 3.33Å; L138-F140 PolarHBondContact O-N 3.01Å; F140-H142 VanDerWaalsContact C-N 3.27Å; F140-H142 PolarHBondContact O-N 2.8Å; F140-S143 WeakPolarHBondContact O-CB 3.35Å; F140-S143 PolarHBondContact O-N 2.95Å; F140-S143 VanDerWaalsContact O-N 3.12Å; F140-S143 PolarHBondContact O-OG 3.26Å; F140-L144 HydrophobicContact CD1-CD1 4.19Å; F140-L144 HydrophobicContact CE1-CD1 3.68Å; F140-L144 HydrophobicContact CE1-CG 4.28Å; F140-L144 HydrophobicContact CZ-CD1 4.11Å; F140-L144 HydrophobicContact CZ-CD2 4.22Å; F140-L144 HydrophobicContact CZ-CG 4.4Å; F140-L144 WeakPolarHBondContact O-CG 3.47Å; F140-L144 PolarHBondContact O-N 3.25Å; F140-L144 VanDerWaalsContact O-N 3.16Å; F140-A155 HydrophobicContact CE2-CB 4.35Å; F140-E156 HydrophobicContact CZ-CG 4.43Å; F140-R159 VanDerWaalsContact CE1-CD 3.49Å; F140-R159 HydrophobicContact CE2-CB 3.99Å; F140-R159 HydrophobicContact CE2-CG 4.46Å; F140-R159 HydrophobicContact CZ-CB 3.85Å; F140-R159 VanDerWaalsContact CZ-CD 3.5Å; F140-R159 HydrophobicContact CZ-CG 4.34Å |
| 141 | R | 91.7 | Very high | 91.5 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57 | -40 | 178.2 | -73.9 | -176 | -175.1 | -162.7 | 5 | 112.3 | E137 L138 L144 E292 | E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 3.43Å; E137-R141 IonicContact OE1-CZ 3.11Å; E137-R141 IonicContact OE1-NE 3.5Å; E137-R141 PolarHBondContact OE1-NE 2.94Å; E137-R141 IonicContact OE1-NH2 3.6Å; E137-R141 PolarHBondContact OE1-NH2 2.9Å; L138-R141 PolarHBondContact O-N 2.77Å; R141-L144 WeakPolarHBondContact O-CB 3.48Å; R141-L144 PolarHBondContact O-N 2.91Å; R141-E292 IonicContact CZ-OE1 3.57Å; R141-E292 IonicContact CZ-OE2 3.19Å; R141-E292 IonicContact NH1-OE1 3.7Å; R141-E292 PolarHBondContact NH1-OE1 3.01Å; R141-E292 IonicContact NH1-OE2 2.75Å; R141-E292 IonicContact NH2-OE1 2.87Å; R141-E292 IonicContact NH2-OE2 2.6Å; R141-E292 PolarHBondContact NH2-OE2 2.73Å |
| 142 | H | 89.4 | Confident | 91.7 | Very high | 27 Ų | 27 | 57.1 Ų | 57.1 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -40.3 | 178.7 | -171.5 | -87.8 | 0 | 0 | 0 | 111.6 | L138 E139 F140 L144 K145 W302 Y308 | L138-H142 WeakPolarHBondContact O-CB 3.06Å; L138-H142 PolarHBondContact O-N 3.32Å; E139-H142 PolarHBondContact O-N 3.07Å; F140-H142 VanDerWaalsContact C-N 3.27Å; F140-H142 PolarHBondContact O-N 2.8Å; H142-L144 PolarHBondContact O-N 3.47Å; H142-K145 WeakPolarHBondContact O-CB 3.39Å; H142-K145 PolarHBondContact O-N 2.96Å; H142-W302 HydrophobicContact CB-CH2 3.77Å; H142-W302 HydrophobicContact CB-CZ3 4.21Å; H142-W302 AromaticContact CG-CH2 3.96Å; H142-Y308 AromaticContact CD2-CD2 3.97Å; H142-Y308 AromaticContact CE1-CD1 3.67Å; H142-Y308 AromaticContact CE1-CE1 3.1Å; H142-Y308 WeakPolarHBondContact CE1-CE1 3.44Å; H142-Y308 AromaticContact CE1-CE2 3.78Å; H142-Y308 AromaticContact CE1-CZ 3.16Å; H142-Y308 PolarHBondContact CE1-OH 2.97Å; H142-Y308 AromaticContact ND1-CE2 3.94Å; H142-Y308 AromaticContact ND1-CZ 3.59Å; H142-Y308 AromaticContact NE2-CD1 3.3Å; H142-Y308 VanDerWaalsContact NE2-CD1 3.3Å; H142-Y308 WeakPolarHBondContact NE2-CD1 3.35Å; H142-Y308 AromaticContact NE2-CD2 3.89Å; H142-Y308 AromaticContact NE2-CE1 3.28Å; H142-Y308 VanDerWaalsContact NE2-CE1 3.28Å; H142-Y308 WeakPolarHBondContact NE2-CE1 3.34Å; H142-Y308 AromaticContact NE2-CE2 3.86Å; H142-Y308 AromaticContact NE2-CG 3.62Å; H142-Y308 AromaticContact NE2-CZ 3.56Å |
| 143 | S | 89.1 | Confident | 91.7 | Very high | 46 Ų | 46 | 62.7 Ų | 62.7 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 175.6 | 83.1 | 0 | 0 | 0 | 0 | 111.8 | E139 F140 K145 M147 | E139-S143 WeakPolarHBondContact O-CB 3.41Å; E139-S143 PolarHBondContact O-N 3.49Å; F140-S143 WeakPolarHBondContact O-CB 3.35Å; F140-S143 PolarHBondContact O-N 2.95Å; F140-S143 VanDerWaalsContact O-N 3.12Å; F140-S143 PolarHBondContact O-OG 3.26Å; S143-K145 VanDerWaalsContact C-N 3.27Å; S143-K145 PolarHBondContact O-N 2.87Å; S143-M147 WeakPolarHBondContact O-CG 3.42Å |
| 144 | L | 92.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 65 Ų | 65 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -26.5 | 175.9 | -61.9 | 178.5 | 0 | 0 | 0 | 112.7 | F140 R141 H142 N146 M147 K152 A155 E156 | F140-L144 HydrophobicContact CD1-CD1 4.19Å; F140-L144 HydrophobicContact CE1-CD1 3.68Å; F140-L144 HydrophobicContact CE1-CG 4.28Å; F140-L144 HydrophobicContact CZ-CD1 4.11Å; F140-L144 HydrophobicContact CZ-CD2 4.22Å; F140-L144 HydrophobicContact CZ-CG 4.4Å; F140-L144 WeakPolarHBondContact O-CG 3.47Å; F140-L144 PolarHBondContact O-N 3.25Å; F140-L144 VanDerWaalsContact O-N 3.16Å; R141-L144 WeakPolarHBondContact O-CB 3.48Å; R141-L144 PolarHBondContact O-N 2.91Å; H142-L144 PolarHBondContact O-N 3.47Å; L144-N146 PolarHBondContact O-N 3.04Å; L144-M147 HydrophobicContact CD2-SD 4.17Å; L144-M147 PolarHBondContact O-N 3.11Å; L144-K152 HydrophobicContact CB-CG 4.38Å; L144-K152 HydrophobicContact CD2-CB 4.38Å; L144-K152 HydrophobicContact CD2-CG 4.43Å; L144-K152 WeakPolarHBondContact O-CD 3.27Å; L144-K152 WeakPolarHBondContact O-CE 3.29Å; L144-K152 WeakPolarHBondContact O-CG 3.37Å; L144-K152 PolarHBondContact O-NZ 3.13Å; L144-A155 HydrophobicContact CD2-CB 3.69Å; L144-E156 HydrophobicContact CD1-CG 4.01Å |
| 145 | K | 88.9 | Confident | 91.7 | Very high | 103 Ų | 103 | 66 Ų | 66 | 45% | 0.448 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60 | -35.1 | -177.1 | -66.7 | -179.8 | -177.2 | 173.3 | 0 | 111.7 | H142 S143 E303 | H142-K145 WeakPolarHBondContact O-CB 3.39Å; H142-K145 PolarHBondContact O-N 2.96Å; S143-K145 VanDerWaalsContact C-N 3.27Å; S143-K145 PolarHBondContact O-N 2.87Å; K145-E303 IonicContact NZ-OE1 2.71Å; K145-E303 PolarHBondContact NZ-OE1 3.49Å |
| 146 | N | 84.1 | Confident | 91.9 | Very high | 141 Ų | 141 | 70 Ų | 70 | 75% | 0.754 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 3.3 | -175.9 | -65.4 | -39.8 | 0 | 0 | 0 | 115.2 | L144 | L144-N146 PolarHBondContact O-N 3.04Š|
| 147 | M | 90.8 | Very high | 92 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -94 | 155 | -177.3 | -69.9 | -175.7 | -170.6 | 0 | 0 | 113.1 | S143 L144 Q151 K152 A155 | S143-M147 WeakPolarHBondContact O-CG 3.42Å; L144-M147 HydrophobicContact CD2-SD 4.17Å; L144-M147 PolarHBondContact O-N 3.11Å; M147-Q151 HydrophobicContact CB-CB 3.87Å; M147-Q151 HydrophobicContact CG-CB 4.3Å; M147-Q151 HydrophobicContact SD-CB 4.29Å; M147-K152 HydrophobicContact CB-CG 3.73Å; M147-K152 WeakPolarHBondContact O-CE 3.32Å; M147-A155 HydrophobicContact SD-CB 4.26Å |
| 148 | T | 93.5 | Very high | 92 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | trans | -68.3 | 161.4 | 169 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | E150 Q151 K152 | T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.37Å; T148-Q151 PolarHBondContact O-N 3.42Å; T148-Q151 VanDerWaalsContact O-N 3.1Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T148-Q151 VanDerWaalsContact OG1-CD 3.29Å; T148-Q151 VanDerWaalsContact OG1-CG 3.27Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.32Å; T148-Q151 PolarHBondContact OG1-N 2.93Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; T148-K152 WeakPolarHBondContact O-CG 3.5Å; T148-K152 PolarHBondContact O-N 3.31Å | ||
| 149 | A | 92.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 76.1 Ų | 76.1 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.3 | -37.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K153 | A149-K153 WeakPolarHBondContact O-CB 3.33Å; A149-K153 PolarHBondContact O-N 3.41Å |
| 150 | E | 92.9 | Very high | 92 | Very high | 165 Ų | 165 | 77.6 Ų | 77.6 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -68.2 | -42.4 | 176.1 | -173.7 | 174.4 | -172.6 | 0 | 0 | 111.6 | T148 A154 | T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.37Å; E150-A154 WeakPolarHBondContact O-CB 3.33Å; E150-A154 PolarHBondContact O-N 3Å |
| 151 | Q | 92.3 | Very high | 92.1 | Very high | 82 Ų | 82 | 80.5 Ų | 80.5 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 176.5 | -72.8 | 168.8 | -45.5 | 0 | 0 | 112.6 | M147 T148 K153 A154 A155 | M147-Q151 HydrophobicContact CB-CB 3.87Å; M147-Q151 HydrophobicContact CG-CB 4.3Å; M147-Q151 HydrophobicContact SD-CB 4.29Å; T148-Q151 PolarHBondContact O-N 3.42Å; T148-Q151 VanDerWaalsContact O-N 3.1Å; T148-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T148-Q151 VanDerWaalsContact OG1-CD 3.29Å; T148-Q151 VanDerWaalsContact OG1-CG 3.27Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.32Å; T148-Q151 PolarHBondContact OG1-N 2.93Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; Q151-K153 PolarHBondContact O-N 3.22Å; Q151-A154 PolarHBondContact O-N 2.84Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3.18Å |
| 152 | K | 93.6 | Very high | 92.1 | Very high | 70 Ų | 70 | 82 Ų | 82 | 30% | 0.304 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 176.2 | -69.8 | -175.7 | -161.6 | -133.8 | 0 | 110.9 | L144 M147 T148 A154 A155 E156 | L144-K152 HydrophobicContact CB-CG 4.38Å; L144-K152 HydrophobicContact CD2-CB 4.38Å; L144-K152 HydrophobicContact CD2-CG 4.43Å; L144-K152 WeakPolarHBondContact O-CD 3.27Å; L144-K152 WeakPolarHBondContact O-CE 3.29Å; L144-K152 WeakPolarHBondContact O-CG 3.37Å; L144-K152 PolarHBondContact O-NZ 3.13Å; M147-K152 HydrophobicContact CB-CG 3.73Å; M147-K152 WeakPolarHBondContact O-CE 3.32Å; T148-K152 WeakPolarHBondContact O-CG 3.5Å; T148-K152 PolarHBondContact O-N 3.31Å; K152-A154 VanDerWaalsContact C-N 3.34Å; K152-A154 PolarHBondContact O-N 3.4Å; K152-A155 PolarHBondContact O-N 3.04Å; K152-E156 WeakPolarHBondContact O-CG 3.41Å; K152-E156 PolarHBondContact O-N 2.95Å |
| 153 | K | 93.8 | Very high | 92.2 | Very high | 122 Ų | 122 | 81.2 Ų | 81.2 | 53% | 0.53 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.5 | -178.1 | 178.5 | 170.7 | -176.9 | 0 | 111.6 | A149 Q151 A155 E156 E157 | A149-K153 WeakPolarHBondContact O-CB 3.33Å; A149-K153 PolarHBondContact O-N 3.41Å; Q151-K153 PolarHBondContact O-N 3.22Å; K153-A155 VanDerWaalsContact C-N 3.34Å; K153-A155 PolarHBondContact O-N 3.24Å; K153-E156 PolarHBondContact O-N 3.15Å; K153-E157 WeakPolarHBondContact CE-OE1 3.46Å; K153-E157 HydrophobicContact CG-CG 4.44Å; K153-E157 IonicContact NZ-OE1 3.7Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 VanDerWaalsContact O-CG 3.3Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.21Å |
| 154 | A | 94.6 | Very high | 92.4 | Very high | 53 Ų | 53 | 84.3 Ų | 84.3 | 44% | 0.438 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E150 Q151 K152 A158 | E150-A154 WeakPolarHBondContact O-CB 3.33Å; E150-A154 PolarHBondContact O-N 3Å; Q151-A154 PolarHBondContact O-N 2.84Å; K152-A154 VanDerWaalsContact C-N 3.34Å; K152-A154 PolarHBondContact O-N 3.4Å; A154-A158 VanDerWaalsContact O-CB 3.3Å; A154-A158 WeakPolarHBondContact O-CB 3.19Å; A154-A158 PolarHBondContact O-N 3.19Å |
| 155 | A | 93.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 89 Ų | 89 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.2 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F140 L144 M147 Q151 K152 K153 A158 R159 | F140-A155 HydrophobicContact CE2-CB 4.35Å; L144-A155 HydrophobicContact CD2-CB 3.69Å; M147-A155 HydrophobicContact SD-CB 4.26Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 3.18Å; K152-A155 PolarHBondContact O-N 3.04Å; K153-A155 VanDerWaalsContact C-N 3.34Å; K153-A155 PolarHBondContact O-N 3.24Å; A155-A158 PolarHBondContact O-N 2.95Å; A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 3.12Å |
| 156 | E | 94 | Very high | 92.5 | Very high | 104 Ų | 104 | 85.5 Ų | 85.5 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.8 | -71.5 | 171.5 | 173.6 | 0 | 0 | 111.9 | F140 L144 K152 K153 R159 N160 | F140-E156 HydrophobicContact CZ-CG 4.43Å; L144-E156 HydrophobicContact CD1-CG 4.01Å; K152-E156 WeakPolarHBondContact O-CG 3.41Å; K152-E156 PolarHBondContact O-N 2.95Å; K153-E156 PolarHBondContact O-N 3.15Å; E156-R159 PolarHBondContact O-N 3.45Å; E156-N160 WeakPolarHBondContact O-CB 3.09Å; E156-N160 PolarHBondContact O-N 3.25Å |
| 157 | E | 94.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 84 Ų | 84 | 51% | 0.505 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.7 | -76.3 | 176.8 | 172.4 | 0 | 0 | 111.7 | K153 N160 E161 | K153-E157 WeakPolarHBondContact CE-OE1 3.46Å; K153-E157 HydrophobicContact CG-CG 4.44Å; K153-E157 IonicContact NZ-OE1 3.7Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 VanDerWaalsContact O-CG 3.3Å; K153-E157 WeakPolarHBondContact O-CG 3.42Å; K153-E157 PolarHBondContact O-N 3.21Å; E157-N160 PolarHBondContact O-N 2.91Å; E157-E161 WeakPolarHBondContact O-CB 3.45Å; E157-E161 PolarHBondContact O-N 3.12Å |
| 158 | A | 94.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 86.7 Ų | 86.7 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A154 A155 E161 E162 | A154-A158 VanDerWaalsContact O-CB 3.3Å; A154-A158 WeakPolarHBondContact O-CB 3.19Å; A154-A158 PolarHBondContact O-N 3.19Å; A155-A158 PolarHBondContact O-N 2.95Å; A158-E161 WeakPolarHBondContact O-CB 3.42Å; A158-E161 PolarHBondContact O-N 2.94Å; A158-E162 PolarHBondContact O-N 3.42Å |
| 159 | R | 91.4 | Very high | 92.7 | Very high | 52 Ų | 52 | 85.5 Ų | 85.5 | 20% | 0.196 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.5 | -177.1 | 175.8 | 177.4 | -154.3 | 1.7 | 112.6 | E137 F140 A155 E156 E161 E162 L163 | E137-R159 IonicContact OE1-NH1 3.61Å; E137-R159 IonicContact OE2-CZ 2.8Å; E137-R159 IonicContact OE2-NH1 2.82Å; E137-R159 PolarHBondContact OE2-NH1 3.39Å; E137-R159 IonicContact OE2-NH2 3.66Å; E137-R159 PolarHBondContact OE2-NH2 2.58Å; F140-R159 VanDerWaalsContact CE1-CD 3.49Å; F140-R159 HydrophobicContact CE2-CB 3.99Å; F140-R159 HydrophobicContact CE2-CG 4.46Å; F140-R159 HydrophobicContact CZ-CB 3.85Å; F140-R159 VanDerWaalsContact CZ-CD 3.5Å; F140-R159 HydrophobicContact CZ-CG 4.34Å; A155-R159 WeakPolarHBondContact O-CB 3.47Å; A155-R159 PolarHBondContact O-N 3.12Å; E156-R159 PolarHBondContact O-N 3.45Å; R159-E161 VanDerWaalsContact C-N 3.25Å; R159-E161 PolarHBondContact O-N 3.1Å; R159-E162 WeakPolarHBondContact O-CB 3.36Å; R159-E162 PolarHBondContact O-N 2.65Å; R159-L163 HydrophobicContact CG-CD1 4.14Å; R159-L163 HydrophobicContact CG-CG 4.48Å; R159-L163 WeakPolarHBondContact O-CG 3.41Å; R159-L163 PolarHBondContact O-N 3.41Å |
| 160 | N | 93.5 | Very high | 92.4 | Very high | 105 Ų | 105 | 87.4 Ų | 87.4 | 56% | 0.561 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.4 | -33.7 | 176.3 | -176 | 50 | 0 | 0 | 0 | 111.5 | E156 E157 K164 | E156-N160 WeakPolarHBondContact O-CB 3.09Å; E156-N160 PolarHBondContact O-N 3.25Å; E157-N160 PolarHBondContact O-N 2.91Å; N160-K164 WeakPolarHBondContact O-CB 3.46Å; N160-K164 PolarHBondContact O-N 2.94Å |
| 161 | E | 94.2 | Very high | 92.5 | Very high | 106 Ų | 106 | 79.5 Ų | 79.5 | 50% | 0.495 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 172.6 | -166.3 | -173 | 149.8 | 0 | 0 | 111.9 | E157 A158 R159 K164 K165 | E157-E161 WeakPolarHBondContact O-CB 3.45Å; E157-E161 PolarHBondContact O-N 3.12Å; A158-E161 WeakPolarHBondContact O-CB 3.42Å; A158-E161 PolarHBondContact O-N 2.94Å; R159-E161 VanDerWaalsContact C-N 3.25Å; R159-E161 PolarHBondContact O-N 3.1Å; E161-K164 PolarHBondContact O-N 2.56Å; E161-K165 VanDerWaalsContact O-CG 3.29Å; E161-K165 WeakPolarHBondContact O-CG 3.48Å; E161-K165 PolarHBondContact O-N 2.83Å; E161-K165 WeakPolarHBondContact OE1-CE 3.49Å; E161-K165 IonicContact OE1-NZ 2.65Å; E161-K165 PolarHBondContact OE1-NZ 2.91Å |
| 162 | E | 91.1 | Very high | 92.6 | Very high | 108 Ų | 108 | 78.8 Ų | 78.8 | 51% | 0.505 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 175.2 | -179.6 | 166.5 | -141.7 | 0 | 0 | 112.2 | A158 R159 K164 K165 L166 | A158-E162 PolarHBondContact O-N 3.42Å; R159-E162 WeakPolarHBondContact O-CB 3.36Å; R159-E162 PolarHBondContact O-N 2.65Å; E162-K164 VanDerWaalsContact C-N 3.26Å; E162-K164 PolarHBondContact O-N 2.98Å; E162-K165 WeakPolarHBondContact O-CA 3.35Å; E162-K165 WeakPolarHBondContact O-CB 3.45Å; E162-K165 PolarHBondContact O-N 3.21Å; E162-L166 WeakPolarHBondContact O-CG 3.3Å; E162-L166 PolarHBondContact O-N 2.92Å |
| 163 | L | 92.2 | Very high | 92.6 | Very high | 9 Ų | 9 | 77.1 Ų | 77.1 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 175.2 | -69.5 | 169.3 | 0 | 0 | 0 | 112 | R159 L166 K167 P286 E287 | R159-L163 HydrophobicContact CG-CD1 4.14Å; R159-L163 HydrophobicContact CG-CG 4.48Å; R159-L163 WeakPolarHBondContact O-CG 3.41Å; R159-L163 PolarHBondContact O-N 3.41Å; L163-L166 PolarHBondContact O-N 2.94Å; L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.37Å; L163-K167 PolarHBondContact O-N 2.6Å; L163-P286 HydrophobicContact CD2-CB 4.11Å; L163-P286 HydrophobicContact CD2-CG 3.98Å; L163-E287 HydrophobicContact CD1-CG 3.8Å; L163-E287 WeakPolarHBondContact CD1-OE1 3.36Å; L163-E287 HydrophobicContact CD2-CG 4.18Å |
| 164 | K | 92.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 71.5 Ų | 71.5 | 48% | 0.483 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 173.8 | -176.5 | -179.8 | 173.9 | -174 | 0 | 111.5 | N160 E161 E162 L166 K167 E168 | N160-K164 WeakPolarHBondContact O-CB 3.46Å; N160-K164 PolarHBondContact O-N 2.94Å; E161-K164 PolarHBondContact O-N 2.56Å; E162-K164 VanDerWaalsContact C-N 3.26Å; E162-K164 PolarHBondContact O-N 2.98Å; K164-L166 VanDerWaalsContact C-N 3.33Å; K164-K167 PolarHBondContact O-N 2.87Å; K164-E168 VanDerWaalsContact CE-CD 3.47Å; K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.35Å; K164-E168 IonicContact NZ-OE1 3.71Å; K164-E168 WeakPolarHBondContact O-CB 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 3.23Å |
| 165 | K | 91.6 | Very high | 92.5 | Very high | 117 Ų | 117 | 69.3 Ų | 69.3 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 174.9 | -77.3 | 168.3 | -176.1 | 161.3 | 0 | 111.6 | E161 E162 E168 M169 | E161-K165 VanDerWaalsContact O-CG 3.29Å; E161-K165 WeakPolarHBondContact O-CG 3.48Å; E161-K165 PolarHBondContact O-N 2.83Å; E161-K165 WeakPolarHBondContact OE1-CE 3.49Å; E161-K165 IonicContact OE1-NZ 2.65Å; E161-K165 PolarHBondContact OE1-NZ 2.91Å; E162-K165 WeakPolarHBondContact O-CA 3.35Å; E162-K165 WeakPolarHBondContact O-CB 3.45Å; E162-K165 PolarHBondContact O-N 3.21Å; K165-E168 PolarHBondContact O-N 2.71Å; K165-M169 WeakPolarHBondContact O-CB 3.31Å; K165-M169 PolarHBondContact O-N 2.97Å |
| 166 | L | 91.9 | Very high | 92.6 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 174.7 | -65.9 | 175.5 | 0 | 0 | 0 | 111.1 | E162 L163 K164 E168 M169 V228 V283 P286 | E162-L166 WeakPolarHBondContact O-CG 3.3Å; E162-L166 PolarHBondContact O-N 2.92Å; L163-L166 PolarHBondContact O-N 2.94Å; K164-L166 VanDerWaalsContact C-N 3.33Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 3.2Å; L166-M169 WeakPolarHBondContact O-CB 3.37Å; L166-M169 PolarHBondContact O-N 2.87Å; L166-V228 HydrophobicContact CD2-CG1 3.44Å; L166-V228 VanDerWaalsContact CD2-CG1 3.44Å; L166-V283 HydrophobicContact CD2-CG1 4.23Å; L166-P286 HydrophobicContact CD1-CG 4.22Å |
| 167 | K | 90.4 | Very high | 92.6 | Very high | 110 Ų | 110 | 66.8 Ų | 66.8 | 48% | 0.478 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 178.3 | -70.7 | 171.7 | -172.9 | 175.7 | 0 | 113.6 | L163 K164 N285 E287 | L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.37Å; L163-K167 PolarHBondContact O-N 2.6Å; K164-K167 PolarHBondContact O-N 2.87Å; K167-N285 WeakPolarHBondContact CE-ND2 3.38Å; K167-N285 WeakPolarHBondContact CE-OD1 3.21Å; K167-N285 PolarHBondContact NZ-ND2 2.75Å; K167-E287 IonicContact NZ-OE2 2.7Å; K167-E287 PolarHBondContact NZ-OE2 2.83Å |
| 168 | E | 90.3 | Very high | 92.5 | Very high | 124 Ų | 124 | 62.5 Ų | 62.5 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -87.7 | -8.9 | 178.5 | -69.4 | -179.6 | 171.6 | 0 | 0 | 113.1 | K164 K165 L166 K170 | K164-E168 VanDerWaalsContact CE-CD 3.47Å; K164-E168 WeakPolarHBondContact CE-OE1 3.49Å; K164-E168 HydrophobicContact CG-CG 4.35Å; K164-E168 IonicContact NZ-OE1 3.71Å; K164-E168 WeakPolarHBondContact O-CB 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.41Å; K164-E168 PolarHBondContact O-N 3.23Å; K165-E168 PolarHBondContact O-N 2.71Å; L166-E168 VanDerWaalsContact C-N 3.32Å; L166-E168 PolarHBondContact O-N 3.2Å; E168-K170 PolarHBondContact O-N 2.84Å |
| 169 | M | 90.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | trans | -68.2 | 123.9 | -179.7 | -174.2 | 64.2 | 72.5 | 0 | 0 | 110.4 | K165 L166 L171 V228 V283 | K165-M169 WeakPolarHBondContact O-CB 3.31Å; K165-M169 PolarHBondContact O-N 2.97Å; L166-M169 WeakPolarHBondContact O-CB 3.37Å; L166-M169 PolarHBondContact O-N 2.87Å; M169-L171 HydrophobicContact CG-CD2 4.07Å; M169-L171 HydrophobicContact CG-CG 4.33Å; M169-V228 HydrophobicContact CG-CG2 3.67Å; M169-V228 HydrophobicContact SD-CG2 4.49Å; M169-V283 HydrophobicContact CB-CG2 4.03Å; M169-V283 HydrophobicContact CG-CG2 4.1Å | ||
| 170 | K | 88 | Confident | 92.7 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 54% | 0.543 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 98.2 | 179.8 | -66.4 | 171.3 | 171.8 | -104.3 | 0 | 109.8 | E168 R227 D280 | E168-K170 PolarHBondContact O-N 2.84Å; K170-R227 PolarHBondContact O-NH1 3.1Å; K170-R227 PolarHBondContact O-NH2 3.22Å; K170-D280 HydrophobicContact CB-CB 4.36Å; K170-D280 WeakPolarHBondContact CD-OD2 3.42Å; K170-D280 WeakPolarHBondContact CE-OD2 3.49Å; K170-D280 HydrophobicContact CG-CB 4.28Å; K170-D280 WeakPolarHBondContact CG-OD2 3.18Å; K170-D280 IonicContact NZ-OD2 2.72Å; K170-D280 PolarHBondContact NZ-OD2 3.14Å |
| 171 | L | 93.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 151.6 | 167.7 | -61.2 | -169.4 | 0 | 0 | 0 | 109.9 | M169 E224 R227 V228 M245 W281 V283 | M169-L171 HydrophobicContact CG-CD2 4.07Å; M169-L171 HydrophobicContact CG-CG 4.33Å; L171-E224 HydrophobicContact CD2-CB 4.47Å; L171-E224 WeakPolarHBondContact CD2-O 3.36Å; L171-E224 WeakPolarHBondContact CD2-OE2 3.47Å; L171-R227 HydrophobicContact CD2-CB 4.21Å; L171-V228 HydrophobicContact CD1-CG2 3.72Å; L171-V228 HydrophobicContact CD2-CG2 3.6Å; L171-V228 HydrophobicContact CG-CG2 3.94Å; L171-M245 HydrophobicContact CD1-CE 3.69Å; L171-W281 HydrophobicContact CB-CB 4.06Å; L171-W281 PolarHBondContact O-N 3.05Å; L171-V283 HydrophobicContact CD1-CG2 3.76Å; L171-V283 HydrophobicContact CG-CG2 3.89Å |
| 172 | K | 93.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141.6 | 172.5 | -66.7 | -62.1 | -167.7 | 176.2 | 0 | 109.6 | Q179 E224 | K172-Q179 HydrophobicContact CB-CB 3.65Å; K172-Q179 HydrophobicContact CB-CG 4.26Å; K172-E224 PolarHBondContact N-OE2 2.81Å |
| 173 | H | 94.7 | Very high | 93 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 125.1 | 175.1 | -163.6 | -91.8 | 0 | 0 | 0 | 110.9 | G175 S176 Q179 H248 S279 | H173-G175 PolarHBondContact O-N 2.95Å; H173-S176 VanDerWaalsContact O-CB 3.27Å; H173-S176 WeakPolarHBondContact O-CB 3.47Å; H173-S176 PolarHBondContact O-N 2.64Å; H173-S176 PolarHBondContact O-OG 2.86Å; H173-Q179 WeakPolarHBondContact O-CB 3.27Å; H173-H248 AromaticContact CE1-CD2 3.71Å; H173-H248 AromaticContact CE1-CE1 3.65Å; H173-H248 AromaticContact CE1-NE2 2.79Å; H173-H248 PolarHBondContact CE1-NE2 3.49Å; H173-H248 AromaticContact ND1-NE2 3.59Å; H173-H248 AromaticContact NE2-CE1 3.95Å; H173-H248 AromaticContact NE2-NE2 3.38Å; H173-H248 PolarHBondContact NE2-NE2 2.69Å; H173-S279 WeakPolarHBondContact CB-O 3.48Å |
| 174 | P | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 132.5 | 178 | -26.1 | 35.1 | 0 | 0 | 0 | 110.9 | S176 F221 M245 V249 W281 | P174-S176 PolarHBondContact O-N 3.12Å; P174-F221 HydrophobicContact CB-CD1 4.38Å; P174-F221 HydrophobicContact CB-CE1 3.92Å; P174-F221 HydrophobicContact CB-CZ 4.32Å; P174-M245 HydrophobicContact CB-CB 4.12Å; P174-M245 HydrophobicContact CB-CG 4.45Å; P174-M245 HydrophobicContact CG-CB 3.67Å; P174-M245 HydrophobicContact CG-CG 3.5Å; P174-M245 HydrophobicContact CG-SD 4.12Å; P174-V249 HydrophobicContact CB-CG2 3.42Å; P174-V249 VanDerWaalsContact CB-CG2 3.42Å; P174-W281 HydrophobicContact CG-CD2 3.93Å; P174-W281 HydrophobicContact CG-CE3 3.86Å; P174-W281 HydrophobicContact CG-CG 4.42Å; P174-W281 HydrophobicContact CG-CH2 4.44Å; P174-W281 HydrophobicContact CG-CZ3 4.13Å |
| 175 | G | 92.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -7.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H173 Q179 M253 F275 | H173-G175 PolarHBondContact O-N 2.95Å; G175-Q179 VanDerWaalsContact N-OE1 3.11Å; G175-M253 WeakPolarHBondContact O-CE 3.31Å; G175-F275 WeakPolarHBondContact O-CD2 3.29Å |
| 176 | S | 94.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -69.7 | 155 | 175.7 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | H173 P174 G178 Q179 L180 | H173-S176 VanDerWaalsContact O-CB 3.27Å; H173-S176 WeakPolarHBondContact O-CB 3.47Å; H173-S176 PolarHBondContact O-N 2.64Å; H173-S176 PolarHBondContact O-OG 2.86Å; P174-S176 PolarHBondContact O-N 3.12Å; S176-G178 PolarHBondContact O-N 2.93Å; S176-Q179 PolarHBondContact O-N 2.91Å; S176-Q179 PolarHBondContact OG-N 2.87Å; S176-L180 WeakPolarHBondContact O-CG 3.43Å; S176-L180 PolarHBondContact O-N 2.85Å |
| 177 | K | 94 | Very high | 93.5 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -51.4 | -42.4 | 174.2 | -175.1 | 174.8 | 171.2 | 177.8 | 0 | 112.4 | Q179 L180 E181 F275 | K177-Q179 VanDerWaalsContact C-N 3.34Å; K177-Q179 PolarHBondContact O-N 3.49Å; K177-L180 PolarHBondContact O-N 2.93Å; K177-E181 WeakPolarHBondContact CE-OE1 3.25Å; K177-E181 HydrophobicContact CG-CG 4.26Å; K177-E181 IonicContact NZ-OE1 2.86Å; K177-E181 WeakPolarHBondContact O-CB 3.48Å; K177-E181 WeakPolarHBondContact O-CG 3.48Å; K177-E181 PolarHBondContact O-N 3.26Å; K177-F275 HydrophobicContact CB-CD1 4.07Å; K177-F275 HydrophobicContact CB-CE1 3.61Å; K177-F275 HydrophobicContact CB-CE2 4.12Å; K177-F275 HydrophobicContact CB-CZ 3.62Å; K177-F275 VanDerWaalsContact CB-O 3.31Å; K177-F275 WeakPolarHBondContact CB-O 3.45Å; K177-F275 HydrophobicContact CD-CE1 4.05Å; K177-F275 HydrophobicContact CG-CE1 3.99Å; K177-F275 HydrophobicContact CG-CZ 4.02Å; K177-F275 PolarHBondContact N-O 3.41Å |
| 178 | G | 93.5 | Very high | 93.7 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -33.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S176 K182 | S176-G178 PolarHBondContact O-N 2.93Å; G178-K182 WeakPolarHBondContact O-CB 3.4Å; G178-K182 PolarHBondContact O-N 3.33Å |
| 179 | Q | 94.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.5 | -46.8 | 173.8 | -179.1 | -101.2 | -18 | 0 | 0 | 110.9 | K172 H173 G175 S176 K177 K182 V183 L220 E224 | K172-Q179 HydrophobicContact CB-CB 3.65Å; K172-Q179 HydrophobicContact CB-CG 4.26Å; H173-Q179 WeakPolarHBondContact O-CB 3.27Å; G175-Q179 VanDerWaalsContact N-OE1 3.11Å; S176-Q179 PolarHBondContact O-N 2.91Å; S176-Q179 PolarHBondContact OG-N 2.87Å; K177-Q179 VanDerWaalsContact C-N 3.34Å; K177-Q179 PolarHBondContact O-N 3.49Å; Q179-K182 WeakPolarHBondContact O-CB 3.35Å; Q179-K182 PolarHBondContact O-N 2.81Å; Q179-V183 WeakPolarHBondContact O-CG2 3.35Å; Q179-V183 PolarHBondContact O-N 2.91Å; Q179-L220 PolarHBondContact NE2-O 2.93Å; Q179-E224 HydrophobicContact CG-CG 4.42Å |
| 180 | L | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | -179.4 | -58.2 | 179.2 | 0 | 0 | 0 | 112.9 | S176 K177 K182 V183 W184 F195 F200 L220 F266 F275 | S176-L180 WeakPolarHBondContact O-CG 3.43Å; S176-L180 PolarHBondContact O-N 2.85Å; K177-L180 PolarHBondContact O-N 2.93Å; L180-K182 PolarHBondContact O-N 3.48Å; L180-V183 PolarHBondContact O-N 3.31Å; L180-W184 WeakPolarHBondContact O-CB 3.27Å; L180-W184 PolarHBondContact O-N 3.29Å; L180-F195 HydrophobicContact CB-CE2 3.96Å; L180-F195 HydrophobicContact CB-CZ 3.75Å; L180-F195 HydrophobicContact CD1-CZ 4.46Å; L180-F200 HydrophobicContact CB-CE2 4.22Å; L180-F200 HydrophobicContact CB-CZ 4.21Å; L180-F200 HydrophobicContact CD2-CD1 4.42Å; L180-F200 HydrophobicContact CD2-CE1 3.63Å; L180-F200 HydrophobicContact CD2-CE2 4.49Å; L180-F200 HydrophobicContact CD2-CZ 3.66Å; L180-F200 HydrophobicContact CG-CZ 4.5Å; L180-F200 VanDerWaalsContact O-CE2 3.31Å; L180-F200 WeakPolarHBondContact O-CE2 3.46Å; L180-L220 HydrophobicContact CD2-CD1 4.31Å; L180-F266 HydrophobicContact CD1-CE2 4.12Å; L180-F266 HydrophobicContact CD1-CZ 3.62Å; L180-F266 HydrophobicContact CD2-CZ 4.33Å; L180-F275 HydrophobicContact CD1-CE2 3.77Å; L180-F275 HydrophobicContact CD1-CZ 4.38Å |
| 181 | E | 94.5 | Very high | 94.5 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 16% | 0.159 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -36.5 | 174.4 | -79.6 | -173.9 | 176.1 | 0 | 0 | 111.6 | K177 W184 E185 K192 F195 | K177-E181 WeakPolarHBondContact CE-OE1 3.25Å; K177-E181 HydrophobicContact CG-CG 4.26Å; K177-E181 IonicContact NZ-OE1 2.86Å; K177-E181 WeakPolarHBondContact O-CB 3.48Å; K177-E181 WeakPolarHBondContact O-CG 3.48Å; K177-E181 PolarHBondContact O-N 3.26Å; E181-W184 WeakPolarHBondContact O-CB 3.2Å; E181-W184 PolarHBondContact O-N 3.37Å; E181-E185 WeakPolarHBondContact O-CB 3.26Å; E181-E185 PolarHBondContact O-N 2.76Å; E181-K192 WeakPolarHBondContact OE2-CE 3.43Å; E181-K192 IonicContact OE2-NZ 3.79Å; E181-K192 PolarHBondContact OE2-NZ 3.48Å; E181-K192 VanDerWaalsContact OE2-NZ 3.11Å; E181-F195 HydrophobicContact CG-CB 4.46Å; E181-F195 HydrophobicContact CG-CD1 3.86Å; E181-F195 HydrophobicContact CG-CD2 4.13Å; E181-F195 HydrophobicContact CG-CE1 4.09Å; E181-F195 HydrophobicContact CG-CE2 4.34Å; E181-F195 HydrophobicContact CG-CG 3.88Å; E181-F195 HydrophobicContact CG-CZ 4.33Å |
| 182 | K | 93.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.4 | -41.9 | 178.5 | -175.1 | -177.6 | 165.6 | -163.2 | 0 | 111.8 | G178 Q179 L180 W184 E185 E186 E224 R227 | G178-K182 WeakPolarHBondContact O-CB 3.4Å; G178-K182 PolarHBondContact O-N 3.33Å; Q179-K182 WeakPolarHBondContact O-CB 3.35Å; Q179-K182 PolarHBondContact O-N 2.81Å; L180-K182 PolarHBondContact O-N 3.48Å; K182-W184 VanDerWaalsContact C-N 3.29Å; K182-W184 PolarHBondContact O-N 3.07Å; K182-E185 PolarHBondContact O-N 3.09Å; K182-E186 VanDerWaalsContact CE-OE1 3.29Å; K182-E186 WeakPolarHBondContact CE-OE1 3.29Å; K182-E186 WeakPolarHBondContact CE-OE2 3.47Å; K182-E186 VanDerWaalsContact CG-CD 3.47Å; K182-E186 HydrophobicContact CG-CG 4.03Å; K182-E186 VanDerWaalsContact O-CB 3.3Å; K182-E186 WeakPolarHBondContact O-CB 3.44Å; K182-E186 PolarHBondContact O-N 3.23Å; K182-E224 VanDerWaalsContact CD-OE1 3.22Å; K182-E224 WeakPolarHBondContact CD-OE1 3.49Å; K182-E224 WeakPolarHBondContact CE-OE1 3.01Å; K182-E224 VanDerWaalsContact NZ-CD 3.35Å; K182-E224 IonicContact NZ-OE1 3.4Å; K182-E224 PolarHBondContact NZ-OE1 2.84Å; K182-E224 IonicContact NZ-OE2 3.59Å; K182-E224 PolarHBondContact NZ-OE2 2.77Å; K182-R227 VanDerWaalsContact NZ-CD 3.31Å |
| 183 | V | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -58.7 | -45.5 | 171.9 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | Q179 L180 E185 V187 D188 F200 H204 L220 | Q179-V183 WeakPolarHBondContact O-CG2 3.35Å; Q179-V183 PolarHBondContact O-N 2.91Å; L180-V183 PolarHBondContact O-N 3.31Å; V183-E185 PolarHBondContact O-N 3.13Å; V183-V187 HydrophobicContact CG1-CB 4.03Å; V183-V187 HydrophobicContact CG1-CG2 4.15Å; V183-V187 WeakPolarHBondContact O-CA 3.15Å; V183-V187 WeakPolarHBondContact O-CB 3.39Å; V183-V187 PolarHBondContact O-N 2.69Å; V183-D188 PolarHBondContact O-N 3.44Å; V183-F200 HydrophobicContact CB-CE2 3.95Å; V183-F200 HydrophobicContact CB-CZ 4.1Å; V183-F200 HydrophobicContact CG1-CE2 3.89Å; V183-F200 HydrophobicContact CG1-CZ 3.92Å; V183-H204 WeakPolarHBondContact CG1-NE2 3.43Å; V183-L220 HydrophobicContact CG1-CD2 4.31Å; V183-L220 WeakPolarHBondContact CG2-O 3.35Å |
| 184 | W | 96.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -58.8 | -44.1 | 177 | 178.8 | -89.4 | 0 | 0 | 0 | 113.8 | L180 E181 K182 D188 N189 L190 P191 A194 F195 T199 F200 | L180-W184 WeakPolarHBondContact O-CB 3.27Å; L180-W184 PolarHBondContact O-N 3.29Å; E181-W184 WeakPolarHBondContact O-CB 3.2Å; E181-W184 PolarHBondContact O-N 3.37Å; K182-W184 VanDerWaalsContact C-N 3.29Å; K182-W184 PolarHBondContact O-N 3.07Å; W184-D188 WeakPolarHBondContact CA-OD2 3.45Å; W184-D188 WeakPolarHBondContact O-CB 3.49Å; W184-N189 PolarHBondContact O-N 3.02Å; W184-L190 HydrophobicContact CD2-CB 3.9Å; W184-L190 HydrophobicContact CD2-CD1 3.82Å; W184-L190 VanDerWaalsContact CE2-CB 3.44Å; W184-L190 HydrophobicContact CE3-CD1 3.71Å; W184-L190 HydrophobicContact CG-CB 4.14Å; W184-L190 HydrophobicContact CH2-CD1 3.58Å; W184-L190 HydrophobicContact CZ2-CB 3.89Å; W184-L190 HydrophobicContact CZ2-CD1 3.62Å; W184-L190 HydrophobicContact CZ2-CG 4.34Å; W184-L190 HydrophobicContact CZ3-CD1 3.6Å; W184-L190 VanDerWaalsContact NE1-CB 3.33Å; W184-L190 PolarHBondContact O-N 3.09Å; W184-P191 PolarHBondContact NE1-O 3.27Å; W184-A194 HydrophobicContact CZ2-CB 4.31Å; W184-A194 WeakPolarHBondContact CZ2-O 3.39Å; W184-F195 HydrophobicContact CB-CD2 3.77Å; W184-F195 HydrophobicContact CB-CE2 4.2Å; W184-F195 AromaticContact CD2-CD2 3.9Å; W184-F195 HydrophobicContact CD2-CD2 3.9Å; W184-F195 HydrophobicContact CE3-CD2 4.32Å; W184-F195 AromaticContact CG-CD2 3.7Å; W184-F195 HydrophobicContact CG-CD2 3.7Å; W184-T199 HydrophobicContact CH2-CG2 3.71Å; W184-T199 HydrophobicContact CZ3-CG2 4.01Å; W184-F200 HydrophobicContact CB-CD2 4.17Å; W184-F200 HydrophobicContact CB-CE2 4.34Å; W184-F200 HydrophobicContact CE3-CB 4.14Å; W184-F200 AromaticContact CE3-CD2 3.85Å; W184-F200 HydrophobicContact CE3-CD2 3.85Å; W184-F200 HydrophobicContact CE3-CG 4.5Å; W184-F200 HydrophobicContact CZ3-CB 4.19Å |
| 185 | E | 96 | Very high | 94.4 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -75.9 | -48.3 | -179.4 | -174.8 | 174.9 | -176.3 | 0 | 0 | 112.2 | E181 K182 V183 N189 | E181-E185 WeakPolarHBondContact O-CB 3.26Å; E181-E185 PolarHBondContact O-N 2.76Å; K182-E185 PolarHBondContact O-N 3.09Å; V183-E185 PolarHBondContact O-N 3.13Å; E185-N189 WeakPolarHBondContact O-CA 3.2Å |
| 186 | E | 94.4 | Very high | 94.5 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -90.1 | -36.3 | -169.3 | -62.2 | -176.7 | 179.8 | 0 | 0 | 113.6 | K182 | K182-E186 VanDerWaalsContact CE-OE1 3.29Å; K182-E186 WeakPolarHBondContact CE-OE1 3.29Å; K182-E186 WeakPolarHBondContact CE-OE2 3.47Å; K182-E186 VanDerWaalsContact CG-CD 3.47Å; K182-E186 HydrophobicContact CG-CG 4.03Å; K182-E186 VanDerWaalsContact O-CB 3.3Å; K182-E186 WeakPolarHBondContact O-CB 3.44Å; K182-E186 PolarHBondContact O-N 3.23Å |
| 187 | V | 93.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -93.3 | -51.1 | -176.8 | -175.5 | 0 | 0 | 0 | 0 | 110 | V183 N189 N223 | V183-V187 HydrophobicContact CG1-CB 4.03Å; V183-V187 HydrophobicContact CG1-CG2 4.15Å; V183-V187 WeakPolarHBondContact O-CA 3.15Å; V183-V187 WeakPolarHBondContact O-CB 3.39Å; V183-V187 PolarHBondContact O-N 2.69Å; V187-N189 VanDerWaalsContact C-N 3.29Å; V187-N189 PolarHBondContact O-N 3.35Å; V187-N189 PolarHBondContact O-ND2 3.4Å; V187-N223 HydrophobicContact CG2-CB 4.15Å |
| 188 | D | 94.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 58.4 Ų | 58.4 | 21% | 0.214 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -79.8 | -13.1 | -178.6 | -57.3 | -38.6 | 0 | 0 | 0 | 113.2 | V183 W184 L190 L203 H204 | V183-D188 PolarHBondContact O-N 3.44Å; W184-D188 WeakPolarHBondContact CA-OD2 3.45Å; W184-D188 WeakPolarHBondContact O-CB 3.49Å; D188-L190 VanDerWaalsContact C-N 3.25Å; D188-L190 HydrophobicContact CB-CB 4.48Å; D188-L190 HydrophobicContact CB-CD1 3.81Å; D188-L190 HydrophobicContact CB-CG 3.92Å; D188-L190 PolarHBondContact O-N 2.85Å; D188-L203 HydrophobicContact CB-CD2 3.76Å; D188-L203 WeakPolarHBondContact OD1-CD2 3.28Å; D188-L203 WeakPolarHBondContact OD2-CD2 3.01Å; D188-H204 IonicContact OD1-CE1 3.75Å; D188-H204 IonicContact OD1-NE2 3.37Å; D188-H204 IonicContact OD2-CE1 3.19Å; D188-H204 PolarHBondContact OD2-CE1 2.92Å; D188-H204 IonicContact OD2-NE2 2.67Å |
| 189 | N | 95.2 | Very high | 94.6 | Very high | 135 Ų | 135 | 60.8 Ų | 60.8 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | trans | 56.9 | 38.1 | -176.8 | -63.5 | -94.7 | 0 | 0 | 0 | 112.6 | W184 E185 V187 | W184-N189 PolarHBondContact O-N 3.02Å; E185-N189 WeakPolarHBondContact O-CA 3.2Å; V187-N189 VanDerWaalsContact C-N 3.29Å; V187-N189 PolarHBondContact O-N 3.35Å; V187-N189 PolarHBondContact O-ND2 3.4Å | ||
| 190 | L | 95.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 31% | 0.314 | 32% | 0.316 | S | S | . | . | trans | -103.9 | 148.2 | -179.4 | -66.3 | 172.9 | 0 | 0 | 0 | 111.6 | W184 D188 K192 L203 | W184-L190 HydrophobicContact CD2-CB 3.9Å; W184-L190 HydrophobicContact CD2-CD1 3.82Å; W184-L190 VanDerWaalsContact CE2-CB 3.44Å; W184-L190 HydrophobicContact CE3-CD1 3.71Å; W184-L190 HydrophobicContact CG-CB 4.14Å; W184-L190 HydrophobicContact CH2-CD1 3.58Å; W184-L190 HydrophobicContact CZ2-CB 3.89Å; W184-L190 HydrophobicContact CZ2-CD1 3.62Å; W184-L190 HydrophobicContact CZ2-CG 4.34Å; W184-L190 HydrophobicContact CZ3-CD1 3.6Å; W184-L190 VanDerWaalsContact NE1-CB 3.33Å; W184-L190 PolarHBondContact O-N 3.09Å; D188-L190 VanDerWaalsContact C-N 3.25Å; D188-L190 HydrophobicContact CB-CB 4.48Å; D188-L190 HydrophobicContact CB-CD1 3.81Å; D188-L190 HydrophobicContact CB-CG 3.92Å; D188-L190 PolarHBondContact O-N 2.85Å; L190-K192 PolarHBondContact O-N 3.45Å; L190-L203 HydrophobicContact CD1-CD2 3.85Å | ||
| 191 | P | 95.3 | Very high | 94.8 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | trans | -61.8 | 133 | 178.8 | -21.1 | 32.4 | 0 | 0 | 0 | 111.6 | W184 E193 A194 | W184-P191 PolarHBondContact NE1-O 3.27Å; P191-E193 PolarHBondContact O-N 3.31Å; P191-A194 HydrophobicContact CB-CB 4.4Å; P191-A194 WeakPolarHBondContact O-CB 3.25Å; P191-A194 PolarHBondContact O-N 2.93Å | ||
| 192 | K | 92.1 | Very high | 94.8 | Very high | 98 Ų | 98 | 66.1 Ų | 66.1 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -54.8 | -37.9 | -179.9 | -179.2 | 170.3 | -178.9 | 150.6 | 0 | 113 | E181 L190 A194 F195 | E181-K192 WeakPolarHBondContact OE2-CE 3.43Å; E181-K192 IonicContact OE2-NZ 3.79Å; E181-K192 PolarHBondContact OE2-NZ 3.48Å; E181-K192 VanDerWaalsContact OE2-NZ 3.11Å; L190-K192 PolarHBondContact O-N 3.45Å; K192-A194 PolarHBondContact O-N 2.96Å; K192-F195 VanDerWaalsContact O-CB 3.32Å; K192-F195 WeakPolarHBondContact O-CB 3.28Å; K192-F195 PolarHBondContact O-N 3.43Å; K192-F195 VanDerWaalsContact O-N 3.17Å |
| 193 | E | 92.7 | Very high | 94.9 | Very high | 174 Ų | 174 | 68.8 Ų | 68.8 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -70.4 | -15.1 | -178.6 | -56.1 | 77.2 | -171 | 0 | 0 | 113.4 | P191 | P191-E193 PolarHBondContact O-N 3.31Š|
| 194 | A | 94.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -94.5 | 3.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W184 P191 K192 D196 | W184-A194 HydrophobicContact CZ2-CB 4.31Å; W184-A194 WeakPolarHBondContact CZ2-O 3.39Å; P191-A194 HydrophobicContact CB-CB 4.4Å; P191-A194 WeakPolarHBondContact O-CB 3.25Å; P191-A194 PolarHBondContact O-N 2.93Å; K192-A194 PolarHBondContact O-N 2.96Å; A194-D196 PolarHBondContact O-N 3.45Å |
| 195 | F | 95.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 17% | 0.167 | 36% | 0.355 | C | S | . | . | trans | -56.4 | 121.9 | -179.6 | -179.8 | -102.7 | 0 | 0 | 0 | 111 | L180 E181 W184 K192 M197 F200 | L180-F195 HydrophobicContact CB-CE2 3.96Å; L180-F195 HydrophobicContact CB-CZ 3.75Å; L180-F195 HydrophobicContact CD1-CZ 4.46Å; E181-F195 HydrophobicContact CG-CB 4.46Å; E181-F195 HydrophobicContact CG-CD1 3.86Å; E181-F195 HydrophobicContact CG-CD2 4.13Å; E181-F195 HydrophobicContact CG-CE1 4.09Å; E181-F195 HydrophobicContact CG-CE2 4.34Å; E181-F195 HydrophobicContact CG-CG 3.88Å; E181-F195 HydrophobicContact CG-CZ 4.33Å; W184-F195 HydrophobicContact CB-CD2 3.77Å; W184-F195 HydrophobicContact CB-CE2 4.2Å; W184-F195 AromaticContact CD2-CD2 3.9Å; W184-F195 HydrophobicContact CD2-CD2 3.9Å; W184-F195 HydrophobicContact CE3-CD2 4.32Å; W184-F195 AromaticContact CG-CD2 3.7Å; W184-F195 HydrophobicContact CG-CD2 3.7Å; K192-F195 VanDerWaalsContact O-CB 3.32Å; K192-F195 WeakPolarHBondContact O-CB 3.28Å; K192-F195 PolarHBondContact O-N 3.43Å; K192-F195 VanDerWaalsContact O-N 3.17Å; F195-M197 HydrophobicContact CE1-CG 3.96Å; F195-M197 HydrophobicContact CZ-CG 4.11Å; F195-F200 HydrophobicContact CE2-CB 4.3Å; F195-F200 AromaticContact CE2-CD2 3.8Å; F195-F200 HydrophobicContact CE2-CD2 3.8Å; F195-F200 HydrophobicContact CE2-CG 4.24Å | ||
| 196 | D | 93.7 | Very high | 94.3 | Very high | 73 Ų | 73 | 70.3 Ų | 70.3 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | trans | -140.8 | 118.1 | 179 | 170.7 | 69.1 | 0 | 0 | 0 | 108 | A194 K198 T199 F200 | A194-D196 PolarHBondContact O-N 3.45Å; D196-K198 PolarHBondContact O-N 2.85Å; D196-T199 PolarHBondContact O-N 3.34Å; D196-T199 WeakPolarHBondContact OD2-CB 3.49Å; D196-T199 PolarHBondContact OD2-N 3.37Å; D196-T199 PolarHBondContact OD2-OG1 2.78Å; D196-F200 PolarHBondContact O-N 3.1Å | ||
| 197 | M | 94.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 68.2 Ų | 68.2 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.5 | -34.9 | -174.2 | -70.4 | 178.7 | 70.7 | 0 | 0 | 112.7 | F195 F200 F201 F266 L267 E270 F275 | F195-M197 HydrophobicContact CE1-CG 3.96Å; F195-M197 HydrophobicContact CZ-CG 4.11Å; M197-F200 PolarHBondContact O-N 2.73Å; M197-F201 WeakPolarHBondContact O-CB 3.22Å; M197-F201 PolarHBondContact O-N 3.26Å; M197-F266 HydrophobicContact CB-CD1 4.43Å; M197-F266 HydrophobicContact CB-CE1 4.02Å; M197-F266 HydrophobicContact CE-CD1 4.09Å; M197-F266 HydrophobicContact CE-CE1 3.99Å; M197-F266 WeakPolarHBondContact CE-O 3.38Å; M197-F266 WeakPolarHBondContact O-CE1 3.48Å; M197-L267 HydrophobicContact CB-CD2 3.6Å; M197-E270 HydrophobicContact CE-CB 3.97Å; M197-E270 HydrophobicContact SD-CB 3.5Å; M197-E270 VanDerWaalsContact SD-CB 3.5Å; M197-E270 HydrophobicContact SD-CG 3.47Å; M197-E270 WeakPolarHBondContact SD-CG 3.4Å; M197-F275 HydrophobicContact CE-CD2 4.5Å; M197-F275 HydrophobicContact CE-CE1 4.4Å; M197-F275 HydrophobicContact CE-CE2 3.68Å; M197-F275 HydrophobicContact CE-CZ 3.63Å; M197-F275 HydrophobicContact CG-CZ 4.29Å; M197-F275 HydrophobicContact SD-CE1 3.89Å; M197-F275 HydrophobicContact SD-CE2 4.14Å; M197-F275 HydrophobicContact SD-CZ 3.42Å; M197-F275 WeakPolarHBondContact SD-CZ 3.31Å |
| 198 | K | 95.2 | Very high | 93.7 | Very high | 89 Ų | 89 | 70.7 Ų | 70.7 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 178.7 | -179.5 | 176.3 | -177.3 | 174.6 | 0 | 111.9 | D196 R202 L263 L267 | D196-K198 PolarHBondContact O-N 2.85Å; K198-R202 VanDerWaalsContact O-CG 3.3Å; K198-R202 WeakPolarHBondContact O-CG 3.49Å; K198-R202 PolarHBondContact O-N 2.61Å; K198-L263 HydrophobicContact CG-CD1 4.29Å; K198-L267 HydrophobicContact CB-CD1 4.45Å; K198-L267 HydrophobicContact CB-CD2 4.25Å |
| 199 | T | 95.3 | Very high | 93.2 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | W184 D196 R202 L203 | W184-T199 HydrophobicContact CH2-CG2 3.71Å; W184-T199 HydrophobicContact CZ3-CG2 4.01Å; D196-T199 PolarHBondContact O-N 3.34Å; D196-T199 WeakPolarHBondContact OD2-CB 3.49Å; D196-T199 PolarHBondContact OD2-N 3.37Å; D196-T199 PolarHBondContact OD2-OG1 2.78Å; T199-R202 PolarHBondContact O-N 2.79Å; T199-L203 WeakPolarHBondContact O-CB 3.31Å; T199-L203 PolarHBondContact O-N 3.36Å |
| 200 | F | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.7 | -50.9 | 173.5 | -176.5 | -80.9 | 0 | 0 | 0 | 111.5 | L180 V183 W184 F195 D196 M197 R202 L203 H204 L220 F266 | L180-F200 HydrophobicContact CB-CE2 4.22Å; L180-F200 HydrophobicContact CB-CZ 4.21Å; L180-F200 HydrophobicContact CD2-CD1 4.42Å; L180-F200 HydrophobicContact CD2-CE1 3.63Å; L180-F200 HydrophobicContact CD2-CE2 4.49Å; L180-F200 HydrophobicContact CD2-CZ 3.66Å; L180-F200 HydrophobicContact CG-CZ 4.5Å; L180-F200 VanDerWaalsContact O-CE2 3.31Å; L180-F200 WeakPolarHBondContact O-CE2 3.46Å; V183-F200 HydrophobicContact CB-CE2 3.95Å; V183-F200 HydrophobicContact CB-CZ 4.1Å; V183-F200 HydrophobicContact CG1-CE2 3.89Å; V183-F200 HydrophobicContact CG1-CZ 3.92Å; W184-F200 HydrophobicContact CB-CD2 4.17Å; W184-F200 HydrophobicContact CB-CE2 4.34Å; W184-F200 HydrophobicContact CE3-CB 4.14Å; W184-F200 AromaticContact CE3-CD2 3.85Å; W184-F200 HydrophobicContact CE3-CD2 3.85Å; W184-F200 HydrophobicContact CE3-CG 4.5Å; W184-F200 HydrophobicContact CZ3-CB 4.19Å; F195-F200 HydrophobicContact CE2-CB 4.3Å; F195-F200 AromaticContact CE2-CD2 3.8Å; F195-F200 HydrophobicContact CE2-CD2 3.8Å; F195-F200 HydrophobicContact CE2-CG 4.24Å; D196-F200 PolarHBondContact O-N 3.1Å; M197-F200 PolarHBondContact O-N 2.73Å; F200-R202 VanDerWaalsContact C-N 3.35Å; F200-R202 PolarHBondContact O-N 3.08Å; F200-L203 WeakPolarHBondContact O-CB 3.31Å; F200-L203 PolarHBondContact O-N 2.91Å; F200-L203 VanDerWaalsContact O-N 3.15Å; F200-H204 AromaticContact CD1-ND1 3.8Å; F200-H204 AromaticContact CD2-CE1 3.91Å; F200-H204 AromaticContact CE1-CE1 3.89Å; F200-H204 AromaticContact CE1-ND1 3.57Å; F200-H204 AromaticContact CE2-CE1 3.44Å; F200-H204 VanDerWaalsContact CE2-CE1 3.44Å; F200-H204 WeakPolarHBondContact CE2-CE1 3.23Å; F200-H204 AromaticContact CE2-ND1 3.88Å; F200-H204 AromaticContact CZ-CE1 3.44Å; F200-H204 VanDerWaalsContact CZ-CE1 3.44Å; F200-H204 WeakPolarHBondContact CZ-CE1 3.2Å; F200-H204 AromaticContact CZ-ND1 3.63Å; F200-H204 PolarHBondContact O-N 3.22Å; F200-H204 PolarHBondContact O-ND1 3.26Å; F200-L220 HydrophobicContact CE1-CD1 4.11Å; F200-L220 HydrophobicContact CE1-CD2 4.07Å; F200-L220 HydrophobicContact CZ-CD1 4.42Å; F200-L220 HydrophobicContact CZ-CD2 3.89Å; F200-F266 HydrophobicContact CD1-CE1 4.14Å; F200-F266 AromaticContact CD1-CZ 3.7Å; F200-F266 HydrophobicContact CD1-CZ 3.7Å; F200-F266 HydrophobicContact CE1-CZ 4.1Å |
| 201 | F | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.013 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.7 | -50.8 | 177.6 | -177.9 | -81.6 | 0 | 0 | 0 | 111.3 | M197 L203 H204 D205 G210 L212 I261 L263 F266 | M197-F201 WeakPolarHBondContact O-CB 3.22Å; M197-F201 PolarHBondContact O-N 3.26Å; F201-L203 PolarHBondContact O-N 2.91Å; F201-H204 PolarHBondContact O-N 2.93Å; F201-H204 VanDerWaalsContact O-N 3.13Å; F201-D205 HydrophobicContact CD1-CB 4.41Å; F201-D205 HydrophobicContact CE1-CB 4.16Å; F201-D205 WeakPolarHBondContact O-CB 3.32Å; F201-D205 PolarHBondContact O-N 2.86Å; F201-G210 VanDerWaalsContact CZ-O 3.26Å; F201-G210 WeakPolarHBondContact CZ-O 3.45Å; F201-L212 HydrophobicContact CD2-CD1 3.78Å; F201-L212 HydrophobicContact CD2-CG 3.9Å; F201-L212 HydrophobicContact CE2-CD1 3.9Å; F201-L212 HydrophobicContact CE2-CG 3.61Å; F201-L212 HydrophobicContact CZ-CG 4.14Å; F201-I261 WeakPolarHBondContact CE2-O 3.26Å; F201-L263 HydrophobicContact CB-CD1 3.71Å; F201-L263 HydrophobicContact CD1-CB 4.1Å; F201-L263 HydrophobicContact CD1-CD1 3.61Å; F201-L263 HydrophobicContact CD1-CG 4.38Å; F201-L263 HydrophobicContact CD2-CD1 4.06Å; F201-L263 HydrophobicContact CE1-CB 3.85Å; F201-L263 HydrophobicContact CE1-CD1 4.26Å; F201-L263 HydrophobicContact CE2-CB 4.26Å; F201-L263 HydrophobicContact CG-CB 4.43Å; F201-L263 HydrophobicContact CG-CD1 3.5Å; F201-L263 VanDerWaalsContact CG-CD1 3.5Å; F201-L263 HydrophobicContact CZ-CB 3.94Å; F201-L263 VanDerWaalsContact CZ-N 3.33Å; F201-F266 HydrophobicContact CB-CD1 3.97Å; F201-F266 HydrophobicContact CB-CE1 4.12Å; F201-F266 HydrophobicContact CD2-CB 3.73Å; F201-F266 AromaticContact CD2-CD1 3.81Å; F201-F266 HydrophobicContact CD2-CD1 3.81Å; F201-F266 HydrophobicContact CD2-CD2 4.35Å; F201-F266 HydrophobicContact CD2-CE1 4.5Å; F201-F266 AromaticContact CD2-CG 3.71Å; F201-F266 HydrophobicContact CD2-CG 3.71Å; F201-F266 HydrophobicContact CE2-CB 4.04Å; F201-F266 HydrophobicContact CE2-CG 4.42Å; F201-F266 HydrophobicContact CG-CD1 4.37Å |
| 202 | R | 94.4 | Very high | 92.1 | Very high | 144 Ų | 144 | 64.6 Ų | 64.6 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -24.3 | -178.4 | -72.5 | 172.2 | 174 | -169.1 | -7 | 114.1 | K198 T199 F200 | K198-R202 VanDerWaalsContact O-CG 3.3Å; K198-R202 WeakPolarHBondContact O-CG 3.49Å; K198-R202 PolarHBondContact O-N 2.61Å; T199-R202 PolarHBondContact O-N 2.79Å; F200-R202 VanDerWaalsContact C-N 3.35Å; F200-R202 PolarHBondContact O-N 3.08Å |
| 203 | L | 95.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77 | -30.8 | 177.6 | -174.9 | 57.4 | 0 | 0 | 0 | 111.4 | D188 L190 T199 F200 F201 | D188-L203 HydrophobicContact CB-CD2 3.76Å; D188-L203 WeakPolarHBondContact OD1-CD2 3.28Å; D188-L203 WeakPolarHBondContact OD2-CD2 3.01Å; L190-L203 HydrophobicContact CD1-CD2 3.85Å; T199-L203 WeakPolarHBondContact O-CB 3.31Å; T199-L203 PolarHBondContact O-N 3.36Å; F200-L203 WeakPolarHBondContact O-CB 3.31Å; F200-L203 PolarHBondContact O-N 2.91Å; F200-L203 VanDerWaalsContact O-N 3.15Å; F201-L203 PolarHBondContact O-N 2.91Å |
| 204 | H | 94.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -102 | -13.2 | -176.8 | -66.9 | 90.7 | 0 | 0 | 0 | 114.6 | V183 D188 F200 F201 T206 L212 L220 | V183-H204 WeakPolarHBondContact CG1-NE2 3.43Å; D188-H204 IonicContact OD1-CE1 3.75Å; D188-H204 IonicContact OD1-NE2 3.37Å; D188-H204 IonicContact OD2-CE1 3.19Å; D188-H204 PolarHBondContact OD2-CE1 2.92Å; D188-H204 IonicContact OD2-NE2 2.67Å; F200-H204 AromaticContact CD1-ND1 3.8Å; F200-H204 AromaticContact CD2-CE1 3.91Å; F200-H204 AromaticContact CE1-CE1 3.89Å; F200-H204 AromaticContact CE1-ND1 3.57Å; F200-H204 AromaticContact CE2-CE1 3.44Å; F200-H204 VanDerWaalsContact CE2-CE1 3.44Å; F200-H204 WeakPolarHBondContact CE2-CE1 3.23Å; F200-H204 AromaticContact CE2-ND1 3.88Å; F200-H204 AromaticContact CZ-CE1 3.44Å; F200-H204 VanDerWaalsContact CZ-CE1 3.44Å; F200-H204 WeakPolarHBondContact CZ-CE1 3.2Å; F200-H204 AromaticContact CZ-ND1 3.63Å; F200-H204 PolarHBondContact O-N 3.22Å; F200-H204 PolarHBondContact O-ND1 3.26Å; F201-H204 PolarHBondContact O-N 2.93Å; F201-H204 VanDerWaalsContact O-N 3.13Å; H204-T206 WeakPolarHBondContact O-CG2 3.42Å; H204-T206 PolarHBondContact O-N 3Å; H204-L212 HydrophobicContact CB-CD2 3.98Å; H204-L220 HydrophobicContact CB-CD2 4.08Å; H204-L220 WeakPolarHBondContact CD2-CD2 3.48Å |
| 205 | D | 92.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | trans | -69.7 | 79.4 | 159.1 | 173.3 | 7.1 | 0 | 0 | 0 | 107.9 | F201 N207 N208 D209 G210 L212 | F201-D205 HydrophobicContact CD1-CB 4.41Å; F201-D205 HydrophobicContact CE1-CB 4.16Å; F201-D205 WeakPolarHBondContact O-CB 3.32Å; F201-D205 PolarHBondContact O-N 2.86Å; D205-N207 PolarHBondContact O-N 2.86Å; D205-N207 PolarHBondContact OD1-OD1 3.01Å; D205-N207 VanDerWaalsContact OD1-OD1 3.12Å; D205-N208 PolarHBondContact O-N 3.01Å; D205-N208 PolarHBondContact O-ND2 3.46Å; D205-N208 WeakPolarHBondContact OD1-CA 3.09Å; D205-N208 PolarHBondContact OD1-N 3.12Å; D205-N208 WeakPolarHBondContact OD2-CA 3.17Å; D205-D209 PolarHBondContact OD1-N 2.64Å; D205-G210 VanDerWaalsContact OD2-CA 3.29Å; D205-G210 WeakPolarHBondContact OD2-CA 3.06Å; D205-G210 PolarHBondContact OD2-N 2.81Å; D205-L212 HydrophobicContact CB-CD2 4.34Å | ||
| 206 | T | 89.2 | Confident | 90.9 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 67% | 0.669 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.5 | -170.4 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | H204 E216 | H204-T206 WeakPolarHBondContact O-CG2 3.42Å; H204-T206 PolarHBondContact O-N 3Å; T206-E216 HydrophobicContact CG2-CG 4.45Å; T206-E216 PolarHBondContact N-OE1 3.35Å; T206-E216 PolarHBondContact OG1-OE1 3.42Å |
| 207 | N | 85.2 | Confident | 90.9 | Very high | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -6.6 | -179.3 | 76.1 | 19.2 | 0 | 0 | 0 | 112.8 | D205 D209 E216 | D205-N207 PolarHBondContact O-N 2.86Å; D205-N207 PolarHBondContact OD1-OD1 3.01Å; D205-N207 VanDerWaalsContact OD1-OD1 3.12Å; N207-D209 VanDerWaalsContact C-N 3.32Å; N207-D209 PolarHBondContact ND2-OD2 3.21Å; N207-D209 PolarHBondContact O-N 2.9Å; N207-D209 WeakPolarHBondContact OD1-CB 3.13Å; N207-D209 PolarHBondContact OD1-N 2.7Å; N207-D209 PolarHBondContact OD1-OD1 3.22Å; N207-D209 PolarHBondContact OD1-OD2 3.45Å; N207-E216 PolarHBondContact N-OE1 3.3Å |
| 208 | N | 89.1 | Confident | 90.7 | Very high | 128 Ų | 128 | 50.3 Ų | 50.3 | 68% | 0.684 | 26% | 0.26 | S | S | * | . | trans | 57.7 | 35.2 | -178.1 | -60.6 | 125.8 | 0 | 0 | 0 | 114.6 | D205 | D205-N208 PolarHBondContact O-N 3.01Å; D205-N208 PolarHBondContact O-ND2 3.46Å; D205-N208 WeakPolarHBondContact OD1-CA 3.09Å; D205-N208 PolarHBondContact OD1-N 3.12Å; D205-N208 WeakPolarHBondContact OD2-CA 3.17Å | ||
| 209 | D | 83.9 | Confident | 90.6 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 32% | 0.321 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -88.5 | -9.4 | 176.7 | 75 | 15 | 0 | 0 | 0 | 113.6 | D205 N207 Y211 | D205-D209 PolarHBondContact OD1-N 2.64Å; N207-D209 VanDerWaalsContact C-N 3.32Å; N207-D209 PolarHBondContact ND2-OD2 3.21Å; N207-D209 PolarHBondContact O-N 2.9Å; N207-D209 WeakPolarHBondContact OD1-CB 3.13Å; N207-D209 PolarHBondContact OD1-N 2.7Å; N207-D209 PolarHBondContact OD1-OD1 3.22Å; N207-D209 PolarHBondContact OD1-OD2 3.45Å; D209-Y211 WeakPolarHBondContact O-CD2 2.82Å; D209-Y211 WeakPolarHBondContact OD1-CB 3.06Å; D209-Y211 PolarHBondContact OD1-N 2.96Å |
| 210 | G | 87.3 | Confident | 90.6 | Very high | 31 Ų | 31 | 45.8 Ų | 45.8 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 90.6 | 10.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F201 D205 | F201-G210 VanDerWaalsContact CZ-O 3.26Å; F201-G210 WeakPolarHBondContact CZ-O 3.45Å; D205-G210 VanDerWaalsContact OD2-CA 3.29Å; D205-G210 WeakPolarHBondContact OD2-CA 3.06Å; D205-G210 PolarHBondContact OD2-N 2.81Å |
| 211 | Y | 88.7 | Confident | 90.5 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 37% | 0.373 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 158.8 | 177.2 | -59.8 | -92.3 | 0 | 0 | 0 | 110.4 | D209 L260 I261 | D209-Y211 WeakPolarHBondContact O-CD2 2.82Å; D209-Y211 WeakPolarHBondContact OD1-CB 3.06Å; D209-Y211 PolarHBondContact OD1-N 2.96Å; Y211-L260 HydrophobicContact CD1-CB 3.87Å; Y211-L260 HydrophobicContact CD1-CD1 4.3Å; Y211-L260 HydrophobicContact CG-CB 4.25Å; Y211-L260 HydrophobicContact CG-CD1 4.29Å; Y211-I261 CarbonylContact C-O 3.54Å; Y211-I261 WeakPolarHBondContact CA-O 3.37Å |
| 212 | L | 87.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.3 | 162.1 | -63.9 | 174.7 | 0 | 0 | 0 | 108.2 | F201 H204 D205 E216 L217 I261 F266 | F201-L212 HydrophobicContact CD2-CD1 3.78Å; F201-L212 HydrophobicContact CD2-CG 3.9Å; F201-L212 HydrophobicContact CE2-CD1 3.9Å; F201-L212 HydrophobicContact CE2-CG 3.61Å; F201-L212 HydrophobicContact CZ-CG 4.14Å; H204-L212 HydrophobicContact CB-CD2 3.98Å; D205-L212 HydrophobicContact CB-CD2 4.34Å; L212-E216 WeakPolarHBondContact CA-OE2 3.3Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; L212-L217 HydrophobicContact CB-CD2 4.17Å; L212-L217 HydrophobicContact CB-CG 4.36Å; L212-L217 HydrophobicContact CD1-CD2 4.33Å; L212-I261 HydrophobicContact CB-CB 4.32Å; L212-I261 PolarHBondContact N-O 3.45Å; L212-I261 PolarHBondContact O-N 2.89Å; L212-F266 HydrophobicContact CD1-CD2 4.15Å; L212-F266 HydrophobicContact CD1-CE2 4.18Å |
| 213 | D | 86 | Confident | 90.2 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.059 | 24% | 0.235 | C | C | . | . | trans | -91.6 | -179 | 177 | 75.6 | 25.3 | 0 | 0 | 0 | 114.2 | G6 L215 E216 L217 L260 | G6-D213 WeakPolarHBondContact CA-OD2 3.5Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 3.12Å; D213-L215 WeakPolarHBondContact OD1-CA 3.38Å; D213-L215 WeakPolarHBondContact OD1-CB 3.43Å; D213-L215 PolarHBondContact OD1-N 3.4Å; D213-E216 PolarHBondContact N-OE2 3.38Å; D213-E216 PolarHBondContact O-N 3.01Å; D213-E216 PolarHBondContact OD1-N 2.96Å; D213-L217 WeakPolarHBondContact O-CB 3.3Å; D213-L217 VanDerWaalsContact O-CG 3.27Å; D213-L217 WeakPolarHBondContact O-CG 3.46Å; D213-L217 PolarHBondContact O-N 2.75Å; D213-L260 HydrophobicContact CB-CD2 3.71Å | ||
| 214 | A | 84.7 | Confident | 90 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -43.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L217 E218 | A214-L217 PolarHBondContact O-N 2.82Å; A214-E218 WeakPolarHBondContact O-CB 3.34Å; A214-E218 WeakPolarHBondContact O-CG 3.44Å; A214-E218 PolarHBondContact O-N 3.28Å |
| 215 | L | 87.2 | Confident | 90 | Very high | 78 Ų | 78 | 37.2 Ų | 37.2 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.9 | -37.7 | -178.3 | -65.7 | 175.6 | 0 | 0 | 0 | 111.2 | D213 E218 A219 | D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 3.12Å; D213-L215 WeakPolarHBondContact OD1-CA 3.38Å; D213-L215 WeakPolarHBondContact OD1-CB 3.43Å; D213-L215 PolarHBondContact OD1-N 3.4Å; L215-E218 PolarHBondContact O-N 3.16Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.31Å |
| 216 | E | 91.8 | Very high | 90 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.7 | -68.6 | 171.3 | 148 | 0 | 0 | 111.3 | T206 N207 L212 D213 A219 L220 | T206-E216 HydrophobicContact CG2-CG 4.45Å; T206-E216 PolarHBondContact N-OE1 3.35Å; T206-E216 PolarHBondContact OG1-OE1 3.42Å; N207-E216 PolarHBondContact N-OE1 3.3Å; L212-E216 WeakPolarHBondContact CA-OE2 3.3Å; L212-E216 HydrophobicContact CD2-CB 4.19Å; D213-E216 PolarHBondContact N-OE2 3.38Å; D213-E216 PolarHBondContact O-N 3.01Å; D213-E216 PolarHBondContact OD1-N 2.96Å; E216-A219 WeakPolarHBondContact O-CB 3.21Å; E216-A219 PolarHBondContact O-N 3.49Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å |
| 217 | L | 92.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -46.5 | 172.3 | -68.4 | 173.4 | 0 | 0 | 0 | 112.1 | L212 D213 A214 A219 L220 F221 V249 V250 I261 | L212-L217 HydrophobicContact CB-CD2 4.17Å; L212-L217 HydrophobicContact CB-CG 4.36Å; L212-L217 HydrophobicContact CD1-CD2 4.33Å; D213-L217 WeakPolarHBondContact O-CB 3.3Å; D213-L217 VanDerWaalsContact O-CG 3.27Å; D213-L217 WeakPolarHBondContact O-CG 3.46Å; D213-L217 PolarHBondContact O-N 2.75Å; A214-L217 PolarHBondContact O-N 2.82Å; L217-A219 PolarHBondContact O-N 3.48Å; L217-L220 HydrophobicContact CD2-CD1 4.23Å; L217-L220 VanDerWaalsContact O-CB 3.27Å; L217-L220 WeakPolarHBondContact O-CB 3.46Å; L217-L220 PolarHBondContact O-N 3.19Å; L217-F221 HydrophobicContact CB-CE2 4.14Å; L217-F221 HydrophobicContact CB-CZ 4.22Å; L217-F221 WeakPolarHBondContact O-CD2 3.26Å; L217-F221 VanDerWaalsContact O-CE2 3.29Å; L217-F221 WeakPolarHBondContact O-CE2 3.47Å; L217-V249 HydrophobicContact CD2-CG1 4.13Å; L217-V250 HydrophobicContact CD1-CG2 4.06Å; L217-I261 HydrophobicContact CD1-CD1 3.71Å; L217-I261 HydrophobicContact CD1-CG1 4.38Å; L217-I261 HydrophobicContact CD2-CD1 3.9Å; L217-I261 HydrophobicContact CG-CD1 4.4Å |
| 218 | E | 92 | Very high | 90.4 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 17% | 0.168 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -35.3 | 176.4 | -78 | 170.3 | -145.6 | 0 | 0 | 112.5 | A214 L215 L220 F221 Q222 L242 R246 | A214-E218 WeakPolarHBondContact O-CB 3.34Å; A214-E218 WeakPolarHBondContact O-CG 3.44Å; A214-E218 PolarHBondContact O-N 3.28Å; L215-E218 PolarHBondContact O-N 3.16Å; E218-L220 PolarHBondContact O-N 2.92Å; E218-F221 PolarHBondContact O-N 2.92Å; E218-F221 VanDerWaalsContact O-N 3.15Å; E218-Q222 WeakPolarHBondContact O-CG 3.22Å; E218-Q222 PolarHBondContact O-N 2.99Å; E218-Q222 PolarHBondContact O-NE2 3.07Å; E218-L242 HydrophobicContact CB-CD2 4.21Å; E218-L242 HydrophobicContact CG-CD2 4.2Å; E218-R246 IonicContact OE1-CZ 3.97Å; E218-R246 IonicContact OE1-NH1 3.05Å; E218-R246 PolarHBondContact OE1-NH1 3.09Å |
| 219 | A | 93.3 | Very high | 90.6 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 48% | 0.479 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.3 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L215 E216 L217 F221 Q222 | L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.31Å; E216-A219 WeakPolarHBondContact O-CB 3.21Å; E216-A219 PolarHBondContact O-N 3.49Å; L217-A219 PolarHBondContact O-N 3.48Å; A219-F221 VanDerWaalsContact C-N 3.26Å; A219-F221 PolarHBondContact O-N 3.45Å; A219-Q222 WeakPolarHBondContact O-CG 3.42Å |
| 220 | L | 94.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -23.7 | 177.6 | -51.4 | -175.6 | 0 | 0 | 0 | 113.2 | Q179 L180 V183 F200 H204 E216 L217 E218 N223 | Q179-L220 PolarHBondContact NE2-O 2.93Å; L180-L220 HydrophobicContact CD2-CD1 4.31Å; V183-L220 HydrophobicContact CG1-CD2 4.31Å; V183-L220 WeakPolarHBondContact CG2-O 3.35Å; F200-L220 HydrophobicContact CE1-CD1 4.11Å; F200-L220 HydrophobicContact CE1-CD2 4.07Å; F200-L220 HydrophobicContact CZ-CD1 4.42Å; F200-L220 HydrophobicContact CZ-CD2 3.89Å; H204-L220 HydrophobicContact CB-CD2 4.08Å; H204-L220 WeakPolarHBondContact CD2-CD2 3.48Å; E216-L220 WeakPolarHBondContact O-CG 3.49Å; L217-L220 HydrophobicContact CD2-CD1 4.23Å; L217-L220 VanDerWaalsContact O-CB 3.27Å; L217-L220 WeakPolarHBondContact O-CB 3.46Å; L217-L220 PolarHBondContact O-N 3.19Å; E218-L220 PolarHBondContact O-N 2.92Å; L220-N223 PolarHBondContact O-OD1 3.47Å; L220-N223 VanDerWaalsContact O-OD1 3.09Å |
| 221 | F | 95 | Very high | 91 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -95 | -14.1 | -174.8 | -50.1 | -36 | 0 | 0 | 0 | 113.1 | P174 L217 E218 A219 N223 E224 L225 L242 M245 R246 V249 | P174-F221 HydrophobicContact CB-CD1 4.38Å; P174-F221 HydrophobicContact CB-CE1 3.92Å; P174-F221 HydrophobicContact CB-CZ 4.32Å; L217-F221 HydrophobicContact CB-CE2 4.14Å; L217-F221 HydrophobicContact CB-CZ 4.22Å; L217-F221 WeakPolarHBondContact O-CD2 3.26Å; L217-F221 VanDerWaalsContact O-CE2 3.29Å; L217-F221 WeakPolarHBondContact O-CE2 3.47Å; E218-F221 PolarHBondContact O-N 2.92Å; E218-F221 VanDerWaalsContact O-N 3.15Å; A219-F221 VanDerWaalsContact C-N 3.26Å; A219-F221 PolarHBondContact O-N 3.45Å; F221-N223 PolarHBondContact O-N 2.97Å; F221-N223 VanDerWaalsContact O-N 3.17Å; F221-E224 PolarHBondContact O-N 3.33Å; F221-E224 VanDerWaalsContact O-N 3.08Å; F221-L225 HydrophobicContact CB-CD1 4.36Å; F221-L225 WeakPolarHBondContact O-CG 3.5Å; F221-L225 PolarHBondContact O-N 2.66Å; F221-L242 HydrophobicContact CB-CD2 4.13Å; F221-L242 HydrophobicContact CD2-CD2 4.49Å; F221-M245 HydrophobicContact CB-SD 3.86Å; F221-M245 HydrophobicContact CD2-CB 3.82Å; F221-M245 HydrophobicContact CE2-CB 4.1Å; F221-M245 HydrophobicContact CG-CB 4.16Å; F221-M245 HydrophobicContact CG-SD 4.13Å; F221-R246 HydrophobicContact CE2-CB 4.11Å; F221-V249 HydrophobicContact CE1-CG2 4.04Å; F221-V249 HydrophobicContact CZ-CB 4.2Å; F221-V249 HydrophobicContact CZ-CG2 3.62Å |
| 222 | Q | 92.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -38.8 | -174.3 | -59.2 | -64.6 | -56 | 0 | 0 | 112.5 | E218 A219 L225 D226 R231 | E218-Q222 WeakPolarHBondContact O-CG 3.22Å; E218-Q222 PolarHBondContact O-N 2.99Å; E218-Q222 PolarHBondContact O-NE2 3.07Å; A219-Q222 WeakPolarHBondContact O-CG 3.42Å; Q222-L225 PolarHBondContact O-N 3.03Å; Q222-D226 WeakPolarHBondContact O-CB 3.27Å; Q222-D226 PolarHBondContact O-N 3.04Å; Q222-R231 VanDerWaalsContact OE1-NH1 3.17Å |
| 223 | N | 90.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71 | -32.5 | -179.3 | 67.4 | -23.7 | 0 | 0 | 0 | 113.3 | V187 L220 F221 R227 | V187-N223 HydrophobicContact CG2-CB 4.15Å; L220-N223 PolarHBondContact O-OD1 3.47Å; L220-N223 VanDerWaalsContact O-OD1 3.09Å; F221-N223 PolarHBondContact O-N 2.97Å; F221-N223 VanDerWaalsContact O-N 3.17Å; N223-R227 WeakPolarHBondContact O-CG 3.43Å |
| 224 | E | 93 | Very high | 90.9 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 173.4 | -72 | -59.5 | 152.3 | 0 | 0 | 110.6 | L171 K172 Q179 K182 F221 R227 | L171-E224 HydrophobicContact CD2-CB 4.47Å; L171-E224 WeakPolarHBondContact CD2-O 3.36Å; L171-E224 WeakPolarHBondContact CD2-OE2 3.47Å; K172-E224 PolarHBondContact N-OE2 2.81Å; Q179-E224 HydrophobicContact CG-CG 4.42Å; K182-E224 VanDerWaalsContact CD-OE1 3.22Å; K182-E224 WeakPolarHBondContact CD-OE1 3.49Å; K182-E224 WeakPolarHBondContact CE-OE1 3.01Å; K182-E224 VanDerWaalsContact NZ-CD 3.35Å; K182-E224 IonicContact NZ-OE1 3.4Å; K182-E224 PolarHBondContact NZ-OE1 2.84Å; K182-E224 IonicContact NZ-OE2 3.59Å; K182-E224 PolarHBondContact NZ-OE2 2.77Å; F221-E224 PolarHBondContact O-N 3.33Å; F221-E224 VanDerWaalsContact O-N 3.08Å; E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 2.9Å; E224-R227 IonicContact OE1-NH1 2.75Å; E224-R227 IonicContact OE2-CZ 2.78Å; E224-R227 IonicContact OE2-NH1 3.77Å; E224-R227 PolarHBondContact OE2-NH1 3.22Å |
| 225 | L | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -38.5 | 179.7 | -69.4 | 167.5 | 0 | 0 | 0 | 113.3 | F221 Q222 R227 V228 Y229 R238 E241 L242 M245 | F221-L225 HydrophobicContact CB-CD1 4.36Å; F221-L225 WeakPolarHBondContact O-CG 3.5Å; F221-L225 PolarHBondContact O-N 2.66Å; Q222-L225 PolarHBondContact O-N 3.03Å; L225-R227 PolarHBondContact O-N 3.27Å; L225-V228 PolarHBondContact O-N 2.98Å; L225-Y229 HydrophobicContact CD2-CD2 4.01Å; L225-Y229 HydrophobicContact CD2-CE2 4.3Å; L225-Y229 PolarHBondContact O-N 3.3Å; L225-R238 HydrophobicContact CB-CG 4.42Å; L225-R238 HydrophobicContact CD1-CG 4.31Å; L225-E241 HydrophobicContact CD2-CB 3.65Å; L225-E241 HydrophobicContact CD2-CG 3.42Å; L225-E241 VanDerWaalsContact CD2-CG 3.42Å; L225-L242 HydrophobicContact CD1-CB 4.35Å; L225-L242 HydrophobicContact CD1-CD1 4.15Å; L225-L242 HydrophobicContact CD1-CD2 3.13Å; L225-L242 HydrophobicContact CD1-CG 3.25Å; L225-M245 HydrophobicContact CD2-CE 4.05Å; L225-M245 HydrophobicContact CD2-SD 4.17Å; L225-M245 HydrophobicContact CG-SD 4.26Å |
| 226 | D | 92.7 | Very high | 91.1 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.8 | 177.8 | -74.7 | 3.7 | 0 | 0 | 0 | 113 | Q222 V228 R231 R238 | Q222-D226 WeakPolarHBondContact O-CB 3.27Å; Q222-D226 PolarHBondContact O-N 3.04Å; D226-V228 VanDerWaalsContact C-N 3.31Å; D226-R231 VanDerWaalsContact CG-NH2 3.29Å; D226-R231 IonicContact OD1-CZ 3.86Å; D226-R231 IonicContact OD1-NE 3.34Å; D226-R231 PolarHBondContact OD1-NE 3.16Å; D226-R231 IonicContact OD1-NH2 2.96Å; D226-R231 PolarHBondContact OD1-NH2 3.27Å; D226-R231 VanDerWaalsContact OD1-NH2 3.15Å; D226-R231 IonicContact OD2-CZ 3.34Å; D226-R231 VanDerWaalsContact OD2-CZ 3.26Å; D226-R231 IonicContact OD2-NE 3.1Å; D226-R231 PolarHBondContact OD2-NE 3.11Å; D226-R231 IonicContact OD2-NH2 3.98Å; D226-R231 PolarHBondContact OD2-NH2 3Å; D226-R238 IonicContact OD1-CZ 3.48Å; D226-R238 IonicContact OD1-NE 3.92Å; D226-R238 IonicContact OD1-NH2 2.71Å; D226-R238 PolarHBondContact OD1-NH2 2.85Å |
| 227 | R | 91.7 | Very high | 91.1 | Very high | 108 Ų | 108 | 47.7 Ų | 47.7 | 41% | 0.408 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16 | 173.3 | -62.3 | 170.3 | 64.9 | -157.7 | -6.9 | 113.3 | K170 L171 K182 N223 E224 L225 | K170-R227 PolarHBondContact O-NH1 3.1Å; K170-R227 PolarHBondContact O-NH2 3.22Å; L171-R227 HydrophobicContact CD2-CB 4.21Å; K182-R227 VanDerWaalsContact NZ-CD 3.31Å; N223-R227 WeakPolarHBondContact O-CG 3.43Å; E224-R227 WeakPolarHBondContact O-CB 3.42Å; E224-R227 PolarHBondContact O-N 2.9Å; E224-R227 IonicContact OE1-NH1 2.75Å; E224-R227 IonicContact OE2-CZ 2.78Å; E224-R227 IonicContact OE2-NH1 3.77Å; E224-R227 PolarHBondContact OE2-NH1 3.22Å; L225-R227 PolarHBondContact O-N 3.27Å |
| 228 | V | 91.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -47.9 | -170.9 | -169.7 | 0 | 0 | 0 | 0 | 111 | L166 M169 L171 L225 D226 V283 | L166-V228 HydrophobicContact CD2-CG1 3.44Å; L166-V228 VanDerWaalsContact CD2-CG1 3.44Å; M169-V228 HydrophobicContact CG-CG2 3.67Å; M169-V228 HydrophobicContact SD-CG2 4.49Å; L171-V228 HydrophobicContact CD1-CG2 3.72Å; L171-V228 HydrophobicContact CD2-CG2 3.6Å; L171-V228 HydrophobicContact CG-CG2 3.94Å; L225-V228 PolarHBondContact O-N 2.98Å; D226-V228 VanDerWaalsContact C-N 3.31Å; V228-V283 HydrophobicContact CG1-CG1 3.64Å; V228-V283 HydrophobicContact CG1-CG2 4.08Å; V228-V283 HydrophobicContact CG2-CG2 3.99Å |
| 229 | Y | 92 | Very high | 91 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | trans | -113.6 | 117.1 | -169.8 | -60.5 | -65 | 0 | 0 | 0 | 110.5 | L225 R231 H234 E237 R238 E241 V283 | L225-Y229 HydrophobicContact CD2-CD2 4.01Å; L225-Y229 HydrophobicContact CD2-CE2 4.3Å; L225-Y229 PolarHBondContact O-N 3.3Å; Y229-R231 PolarHBondContact O-N 3.39Å; Y229-H234 HydrophobicContact CD1-CB 3.86Å; Y229-H234 HydrophobicContact CG-CB 4.35Å; Y229-E237 HydrophobicContact CD1-CB 3.9Å; Y229-E237 HydrophobicContact CE1-CB 3.56Å; Y229-E237 HydrophobicContact CE1-CG 4.45Å; Y229-R238 HydrophobicContact CG-CB 4.42Å; Y229-E241 HydrophobicContact CE2-CB 3.9Å; Y229-E241 HydrophobicContact CE2-CG 3.98Å; Y229-V283 HydrophobicContact CE2-CG1 4.14Å; Y229-V283 WeakPolarHBondContact OH-CG1 3.41Å | ||
| 230 | D | 90.2 | Very high | 91 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | trans | -65.7 | 127.6 | 168.2 | -179.4 | -84 | 0 | 0 | 0 | 110.4 | K232 T233 H234 | D230-K232 PolarHBondContact O-N 2.87Å; D230-K232 WeakPolarHBondContact OD1-CA 3.47Å; D230-K232 VanDerWaalsContact OD1-CB 3.31Å; D230-K232 WeakPolarHBondContact OD1-CB 3.43Å; D230-K232 PolarHBondContact OD1-N 3.37Å; D230-T233 PolarHBondContact O-N 3.38Å; D230-T233 PolarHBondContact OD1-N 3.25Å; D230-H234 PolarHBondContact N-ND1 3.39Å; D230-H234 VanDerWaalsContact N-ND1 3.18Å; D230-H234 PolarHBondContact O-N 2.85Å | ||
| 231 | R | 89.4 | Confident | 91 | Very high | 128 Ų | 128 | 50.9 Ų | 50.9 | 48% | 0.483 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.4 | -175.3 | -66.2 | 178.7 | -179.5 | -104 | 5.7 | 114.6 | Q222 D226 Y229 R238 | Q222-R231 VanDerWaalsContact OE1-NH1 3.17Å; D226-R231 VanDerWaalsContact CG-NH2 3.29Å; D226-R231 IonicContact OD1-CZ 3.86Å; D226-R231 IonicContact OD1-NE 3.34Å; D226-R231 PolarHBondContact OD1-NE 3.16Å; D226-R231 IonicContact OD1-NH2 2.96Å; D226-R231 PolarHBondContact OD1-NH2 3.27Å; D226-R231 VanDerWaalsContact OD1-NH2 3.15Å; D226-R231 IonicContact OD2-CZ 3.34Å; D226-R231 VanDerWaalsContact OD2-CZ 3.26Å; D226-R231 IonicContact OD2-NE 3.1Å; D226-R231 PolarHBondContact OD2-NE 3.11Å; D226-R231 IonicContact OD2-NH2 3.98Å; D226-R231 PolarHBondContact OD2-NH2 3Å; Y229-R231 PolarHBondContact O-N 3.39Å; R231-R238 VanDerWaalsContact NH1-NH2 3.19Å |
| 232 | K | 86.1 | Confident | 90.9 | Very high | 176 Ų | 176 | 51.4 Ų | 51.4 | 77% | 0.765 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -34.3 | -176.9 | -61 | 179.3 | 179.6 | 176.7 | 0 | 112.6 | D230 | D230-K232 PolarHBondContact O-N 2.87Å; D230-K232 WeakPolarHBondContact OD1-CA 3.47Å; D230-K232 VanDerWaalsContact OD1-CB 3.31Å; D230-K232 WeakPolarHBondContact OD1-CB 3.43Å; D230-K232 PolarHBondContact OD1-N 3.37Å |
| 233 | T | 85.3 | Confident | 90.8 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -35.7 | -174.9 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | D230 | D230-T233 PolarHBondContact O-N 3.38Å; D230-T233 PolarHBondContact OD1-N 3.25Å |
| 234 | H | 88.7 | Confident | 90.9 | Very high | 47 Ų | 47 | 52.1 Ų | 52.1 | 22% | 0.218 | 24% | 0.237 | C | C | . | . | trans | -109.8 | 52.8 | -173.4 | -51.3 | 100.5 | 0 | 0 | 0 | 111.1 | Y229 D230 E237 R238 | Y229-H234 HydrophobicContact CD1-CB 3.86Å; Y229-H234 HydrophobicContact CG-CB 4.35Å; D230-H234 PolarHBondContact N-ND1 3.39Å; D230-H234 VanDerWaalsContact N-ND1 3.18Å; D230-H234 PolarHBondContact O-N 2.85Å; H234-E237 WeakPolarHBondContact CA-OE2 3.31Å; H234-E237 IonicContact CD2-OE1 3.19Å; H234-E237 PolarHBondContact CD2-OE1 2.86Å; H234-R238 WeakPolarHBondContact O-CB 3.18Å; H234-R238 PolarHBondContact O-N 3.27Å; H234-R238 VanDerWaalsContact O-N 3.16Å | ||
| 235 | F | 87.6 | Confident | 91 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 25% | 0.254 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.9 | -38.5 | -173.9 | 73 | -80.8 | 0 | 0 | 0 | 111.8 | E239 H339 | F235-E239 WeakPolarHBondContact O-CG 3.27Å; F235-E239 PolarHBondContact O-N 3.46Å; F235-H339 AromaticContact CE1-CD2 3.85Å; F235-H339 AromaticContact CE2-CD2 3.88Å; F235-H339 AromaticContact CE2-NE2 3.55Å; F235-H339 AromaticContact CZ-CD2 3.46Å; F235-H339 VanDerWaalsContact CZ-CD2 3.46Å; F235-H339 WeakPolarHBondContact CZ-CD2 3.44Å; F235-H339 AromaticContact CZ-NE2 3.64Å |
| 236 | Q | 88.9 | Confident | 90.9 | Very high | 47 Ų | 47 | 52.8 Ų | 52.8 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.9 | -45.8 | -176.6 | -63.5 | -171 | -116.3 | 0 | 0 | 111.6 | H132 R238 E239 E240 | H132-Q236 PolarHBondContact CD2-OE1 2.66Å; H132-Q236 PolarHBondContact NE2-OE1 3.19Å; Q236-R238 VanDerWaalsContact C-N 3.26Å; Q236-R238 PolarHBondContact O-N 2.67Å; Q236-E239 PolarHBondContact O-N 3.29Å; Q236-E240 PolarHBondContact O-N 3Å |
| 237 | E | 91.6 | Very high | 90.8 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 177.3 | -50.3 | 93.7 | 126.5 | 0 | 0 | 110.6 | Y129 H132 Y229 H234 E241 M284 | Y129-E237 HydrophobicContact CE2-CB 4.43Å; Y129-E237 HydrophobicContact CE2-CG 4.11Å; H132-E237 IonicContact CE1-OE1 3.82Å; H132-E237 IonicContact CE1-OE2 2.64Å; Y229-E237 HydrophobicContact CD1-CB 3.9Å; Y229-E237 HydrophobicContact CE1-CB 3.56Å; Y229-E237 HydrophobicContact CE1-CG 4.45Å; H234-E237 WeakPolarHBondContact CA-OE2 3.31Å; H234-E237 IonicContact CD2-OE1 3.19Å; H234-E237 PolarHBondContact CD2-OE1 2.86Å; E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.35Å; E237-E241 PolarHBondContact O-N 2.9Å; E237-M284 VanDerWaalsContact O-CE 3.3Å; E237-M284 WeakPolarHBondContact O-CE 3.34Å |
| 238 | R | 92.7 | Very high | 90.9 | Very high | 23 Ų | 23 | 49.9 Ų | 49.9 | 9% | 0.087 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 175.8 | -172.1 | 178.9 | -165.2 | -77.7 | -4.1 | 112.6 | L225 D226 Y229 R231 H234 Q236 L242 | L225-R238 HydrophobicContact CB-CG 4.42Å; L225-R238 HydrophobicContact CD1-CG 4.31Å; D226-R238 IonicContact OD1-CZ 3.48Å; D226-R238 IonicContact OD1-NE 3.92Å; D226-R238 IonicContact OD1-NH2 2.71Å; D226-R238 PolarHBondContact OD1-NH2 2.85Å; Y229-R238 HydrophobicContact CG-CB 4.42Å; R231-R238 VanDerWaalsContact NH1-NH2 3.19Å; H234-R238 WeakPolarHBondContact O-CB 3.18Å; H234-R238 PolarHBondContact O-N 3.27Å; H234-R238 VanDerWaalsContact O-N 3.16Å; Q236-R238 VanDerWaalsContact C-N 3.26Å; Q236-R238 PolarHBondContact O-N 2.67Å; R238-L242 WeakPolarHBondContact O-CB 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.4Å; R238-L242 PolarHBondContact O-N 2.67Å |
| 239 | E | 90.8 | Very high | 90.9 | Very high | 126 Ų | 126 | 48.9 Ų | 48.9 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.3 | -38.5 | 177.4 | -75.8 | -158.7 | 131 | 0 | 0 | 112.4 | F235 Q236 L242 T243 | F235-E239 WeakPolarHBondContact O-CG 3.27Å; F235-E239 PolarHBondContact O-N 3.46Å; Q236-E239 PolarHBondContact O-N 3.29Å; E239-L242 WeakPolarHBondContact O-CB 3.35Å; E239-L242 PolarHBondContact O-N 3.19Å; E239-T243 WeakPolarHBondContact O-CB 2.99Å; E239-T243 PolarHBondContact O-N 3.37Å; E239-T243 PolarHBondContact O-OG1 3.34Å |
| 240 | E | 92.1 | Very high | 90.7 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.8 | -41.1 | 175 | -176.2 | 62.8 | -163.3 | 0 | 0 | 111 | R125 Y129 Q236 L242 T243 R244 M284 | R125-E240 VanDerWaalsContact CD-OE2 3.31Å; R125-E240 WeakPolarHBondContact CD-OE2 3.31Å; R125-E240 WeakPolarHBondContact CG-OE2 3.27Å; Y129-E240 HydrophobicContact CD1-CG 4Å; Y129-E240 HydrophobicContact CD2-CB 4.04Å; Y129-E240 HydrophobicContact CD2-CG 4.23Å; Y129-E240 HydrophobicContact CE1-CG 4.37Å; Y129-E240 HydrophobicContact CE2-CB 4.46Å; Y129-E240 HydrophobicContact CG-CB 4.18Å; Y129-E240 HydrophobicContact CG-CG 3.93Å; Q236-E240 PolarHBondContact O-N 3Å; E240-L242 PolarHBondContact O-N 3.19Å; E240-T243 WeakPolarHBondContact O-CB 3.38Å; E240-T243 PolarHBondContact O-N 3.06Å; E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 2.61Å; E240-M284 HydrophobicContact CB-CE 3.81Å; E240-M284 HydrophobicContact CB-SD 4.25Å; E240-M284 HydrophobicContact CG-CE 3.82Å; E240-M284 HydrophobicContact CG-SD 3.55Å; E240-M284 VanDerWaalsContact CG-SD 3.55Å |
| 241 | E | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 177.3 | -167.7 | 71.8 | 161.2 | 0 | 0 | 111.3 | L225 Y229 E237 T243 R244 M245 W281 M284 | L225-E241 HydrophobicContact CD2-CB 3.65Å; L225-E241 HydrophobicContact CD2-CG 3.42Å; L225-E241 VanDerWaalsContact CD2-CG 3.42Å; Y229-E241 HydrophobicContact CE2-CB 3.9Å; Y229-E241 HydrophobicContact CE2-CG 3.98Å; E237-E241 VanDerWaalsContact O-CB 3.3Å; E237-E241 WeakPolarHBondContact O-CB 3.35Å; E237-E241 PolarHBondContact O-N 2.9Å; E241-T243 VanDerWaalsContact C-N 3.32Å; E241-T243 PolarHBondContact O-N 2.96Å; E241-R244 PolarHBondContact O-N 3.29Å; E241-R244 IonicContact OE1-NH1 2.55Å; E241-R244 PolarHBondContact OE1-NH1 2.89Å; E241-R244 IonicContact OE2-CZ 2.91Å; E241-R244 IonicContact OE2-NH1 2.6Å; E241-R244 PolarHBondContact OE2-NH1 2.82Å; E241-M245 HydrophobicContact CG-CE 3.95Å; E241-M245 HydrophobicContact CG-CG 4.47Å; E241-M245 WeakPolarHBondContact O-CB 3.5Å; E241-M245 VanDerWaalsContact O-CG 3.27Å; E241-M245 WeakPolarHBondContact O-CG 3.2Å; E241-M245 PolarHBondContact O-N 2.76Å; E241-W281 PolarHBondContact OE1-NE1 3.04Å; E241-M284 HydrophobicContact CB-CE 3.67Å; E241-M284 VanDerWaalsContact N-CE 3.35Å; E241-M284 WeakPolarHBondContact OE2-CE 3.33Å; E241-M284 WeakPolarHBondContact OE2-CG 3.46Å |
| 242 | L | 92.7 | Very high | 90.7 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.3 | -49.2 | 171.3 | -85 | 169.1 | 0 | 0 | 0 | 111.4 | E218 F221 L225 R238 E239 E240 R244 M245 R246 | E218-L242 HydrophobicContact CB-CD2 4.21Å; E218-L242 HydrophobicContact CG-CD2 4.2Å; F221-L242 HydrophobicContact CB-CD2 4.13Å; F221-L242 HydrophobicContact CD2-CD2 4.49Å; L225-L242 HydrophobicContact CD1-CB 4.35Å; L225-L242 HydrophobicContact CD1-CD1 4.15Å; L225-L242 HydrophobicContact CD1-CD2 3.13Å; L225-L242 HydrophobicContact CD1-CG 3.25Å; R238-L242 WeakPolarHBondContact O-CB 3.22Å; R238-L242 WeakPolarHBondContact O-CG 3.4Å; R238-L242 PolarHBondContact O-N 2.67Å; E239-L242 WeakPolarHBondContact O-CB 3.35Å; E239-L242 PolarHBondContact O-N 3.19Å; E240-L242 PolarHBondContact O-N 3.19Å; L242-R244 VanDerWaalsContact C-N 3.31Å; L242-R244 PolarHBondContact O-N 3.41Å; L242-M245 PolarHBondContact O-N 2.95Å; L242-R246 VanDerWaalsContact O-CB 3.32Å; L242-R246 WeakPolarHBondContact O-CB 3.35Å; L242-R246 PolarHBondContact O-N 3.36Å |
| 243 | T | 90.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 179.9 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | R125 E239 E240 E241 R246 R247 | R125-T243 PolarHBondContact NH1-OG1 3.17Å; E239-T243 WeakPolarHBondContact O-CB 2.99Å; E239-T243 PolarHBondContact O-N 3.37Å; E239-T243 PolarHBondContact O-OG1 3.34Å; E240-T243 WeakPolarHBondContact O-CB 3.38Å; E240-T243 PolarHBondContact O-N 3.06Å; E241-T243 VanDerWaalsContact C-N 3.32Å; E241-T243 PolarHBondContact O-N 2.96Å; T243-R246 PolarHBondContact O-N 3.01Å; T243-R247 VanDerWaalsContact O-CB 3.27Å; T243-R247 WeakPolarHBondContact O-CB 3.35Å; T243-R247 PolarHBondContact O-N 3.06Å |
| 244 | R | 93.3 | Very high | 90.9 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 30% | 0.302 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.7 | -44 | 178.8 | -167.6 | -177.9 | 156.6 | -132.9 | -0.9 | 112.2 | E240 E241 L242 H248 W281 S282 | E240-R244 WeakPolarHBondContact O-CB 3.49Å; E240-R244 PolarHBondContact O-N 2.61Å; E241-R244 PolarHBondContact O-N 3.29Å; E241-R244 IonicContact OE1-NH1 2.55Å; E241-R244 PolarHBondContact OE1-NH1 2.89Å; E241-R244 IonicContact OE2-CZ 2.91Å; E241-R244 IonicContact OE2-NH1 2.6Å; E241-R244 PolarHBondContact OE2-NH1 2.82Å; L242-R244 VanDerWaalsContact C-N 3.31Å; L242-R244 PolarHBondContact O-N 3.41Å; R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 3.36Å; R244-H248 VanDerWaalsContact O-N 3.14Å; R244-W281 HydrophobicContact CB-CZ2 4.32Å; R244-W281 HydrophobicContact CG-CH2 4.1Å; R244-W281 HydrophobicContact CG-CZ2 3.75Å; R244-S282 PolarHBondContact NH1-O 3.19Å; R244-S282 PolarHBondContact NH2-O 3.13Å; R244-S282 VanDerWaalsContact NH2-O 3.13Å |
| 245 | M | 94.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.3 | -70.2 | -174.9 | 172.4 | 0 | 0 | 111.6 | L171 P174 F221 L225 E241 L242 H248 V249 W281 | L171-M245 HydrophobicContact CD1-CE 3.69Å; P174-M245 HydrophobicContact CB-CB 4.12Å; P174-M245 HydrophobicContact CB-CG 4.45Å; P174-M245 HydrophobicContact CG-CB 3.67Å; P174-M245 HydrophobicContact CG-CG 3.5Å; P174-M245 HydrophobicContact CG-SD 4.12Å; F221-M245 HydrophobicContact CB-SD 3.86Å; F221-M245 HydrophobicContact CD2-CB 3.82Å; F221-M245 HydrophobicContact CE2-CB 4.1Å; F221-M245 HydrophobicContact CG-CB 4.16Å; F221-M245 HydrophobicContact CG-SD 4.13Å; L225-M245 HydrophobicContact CD2-CE 4.05Å; L225-M245 HydrophobicContact CD2-SD 4.17Å; L225-M245 HydrophobicContact CG-SD 4.26Å; E241-M245 HydrophobicContact CG-CE 3.95Å; E241-M245 HydrophobicContact CG-CG 4.47Å; E241-M245 WeakPolarHBondContact O-CB 3.5Å; E241-M245 VanDerWaalsContact O-CG 3.27Å; E241-M245 WeakPolarHBondContact O-CG 3.2Å; E241-M245 PolarHBondContact O-N 2.76Å; L242-M245 PolarHBondContact O-N 2.95Å; M245-H248 PolarHBondContact O-N 2.94Å; M245-V249 WeakPolarHBondContact O-CG2 3.24Å; M245-V249 PolarHBondContact O-N 3.33Å; M245-W281 HydrophobicContact CE-CG 4.28Å; M245-W281 HydrophobicContact CG-CZ2 3.95Å |
| 246 | R | 92 | Very high | 90 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 179.7 | -175.7 | -171.5 | 62.1 | -127 | -11 | 111.9 | E10 E218 F221 L242 T243 H248 V249 V250 | E10-R246 IonicContact OE1-CZ 3.71Å; E10-R246 IonicContact OE1-NH1 3.29Å; E10-R246 PolarHBondContact OE1-NH1 3.45Å; E10-R246 IonicContact OE1-NH2 3.26Å; E10-R246 PolarHBondContact OE1-NH2 3.11Å; E10-R246 IonicContact OE2-CZ 3.7Å; E10-R246 IonicContact OE2-NE 3.2Å; E10-R246 IonicContact OE2-NH1 2.95Å; E10-R246 PolarHBondContact OE2-NH1 2.92Å; E10-R246 VanDerWaalsContact OE2-NH1 3.1Å; E10-R246 IonicContact OE2-NH2 2.87Å; E10-R246 PolarHBondContact OE2-NH2 3.33Å; E218-R246 IonicContact OE1-CZ 3.97Å; E218-R246 IonicContact OE1-NH1 3.05Å; E218-R246 PolarHBondContact OE1-NH1 3.09Å; F221-R246 HydrophobicContact CE2-CB 4.11Å; L242-R246 VanDerWaalsContact O-CB 3.32Å; L242-R246 WeakPolarHBondContact O-CB 3.35Å; L242-R246 PolarHBondContact O-N 3.36Å; T243-R246 PolarHBondContact O-N 3.01Å; R246-H248 PolarHBondContact O-N 2.85Å; R246-V249 PolarHBondContact O-N 2.97Å; R246-V250 HydrophobicContact CG-CG2 4.46Å; R246-V250 WeakPolarHBondContact O-CG2 3.26Å; R246-V250 PolarHBondContact O-N 3.38Å |
| 247 | R | 90.9 | Very high | 89 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 33% | 0.328 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.7 | -45.1 | 177 | 178.9 | 178 | -63 | 142.1 | 4.1 | 111 | D122 T243 V250 E251 | D122-R247 IonicContact OD1-CZ 3.93Å; D122-R247 IonicContact OD1-NH1 3.79Å; D122-R247 IonicContact OD1-NH2 3.2Å; D122-R247 PolarHBondContact OD1-NH2 2.92Å; D122-R247 IonicContact OD2-NH2 2.76Å; T243-R247 VanDerWaalsContact O-CB 3.27Å; T243-R247 WeakPolarHBondContact O-CB 3.35Å; T243-R247 PolarHBondContact O-N 3.06Å; R247-V250 PolarHBondContact O-N 3.11Å; R247-E251 WeakPolarHBondContact O-CB 3.39Å; R247-E251 PolarHBondContact O-N 2.9Å |
| 248 | H | 93.4 | Very high | 88 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.6 | 179.6 | 64.1 | 0 | 0 | 0 | 112.3 | H173 R244 M245 R246 V250 E251 E252 W281 | H173-H248 AromaticContact CE1-CD2 3.71Å; H173-H248 AromaticContact CE1-CE1 3.65Å; H173-H248 AromaticContact CE1-NE2 2.79Å; H173-H248 PolarHBondContact CE1-NE2 3.49Å; H173-H248 AromaticContact ND1-NE2 3.59Å; H173-H248 AromaticContact NE2-CE1 3.95Å; H173-H248 AromaticContact NE2-NE2 3.38Å; H173-H248 PolarHBondContact NE2-NE2 2.69Å; R244-H248 WeakPolarHBondContact O-CB 3.46Å; R244-H248 PolarHBondContact O-N 3.36Å; R244-H248 VanDerWaalsContact O-N 3.14Å; M245-H248 PolarHBondContact O-N 2.94Å; R246-H248 PolarHBondContact O-N 2.85Å; H248-V250 PolarHBondContact O-N 3.49Å; H248-E251 PolarHBondContact O-N 3.16Å; H248-E252 IonicContact CE1-OE1 2.69Å; H248-E252 WeakPolarHBondContact O-CG 3.15Å; H248-E252 PolarHBondContact O-N 3.24Å; H248-W281 HydrophobicContact CB-CH2 3.87Å; H248-W281 HydrophobicContact CB-CZ3 4.04Å; H248-W281 AromaticContact CD2-CZ3 3.74Å; H248-W281 AromaticContact CG-CZ3 3.7Å |
| 249 | V | 92.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | P174 L217 F221 M245 R246 E252 M253 I261 | P174-V249 HydrophobicContact CB-CG2 3.42Å; P174-V249 VanDerWaalsContact CB-CG2 3.42Å; L217-V249 HydrophobicContact CD2-CG1 4.13Å; F221-V249 HydrophobicContact CE1-CG2 4.04Å; F221-V249 HydrophobicContact CZ-CB 4.2Å; F221-V249 HydrophobicContact CZ-CG2 3.62Å; M245-V249 WeakPolarHBondContact O-CG2 3.24Å; M245-V249 PolarHBondContact O-N 3.33Å; R246-V249 PolarHBondContact O-N 2.97Å; V249-E252 PolarHBondContact O-N 3.23Å; V249-M253 HydrophobicContact CG1-CE 4.21Å; V249-M253 HydrophobicContact CG1-CG 4.28Å; V249-M253 HydrophobicContact CG1-SD 3.72Å; V249-M253 WeakPolarHBondContact O-CB 3.31Å; V249-M253 PolarHBondContact O-N 2.85Å; V249-I261 HydrophobicContact CG1-CD1 3.76Å |
| 250 | V | 87.5 | Confident | 86.7 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | L217 R246 R247 H248 E252 M253 D254 | L217-V250 HydrophobicContact CD1-CG2 4.06Å; R246-V250 HydrophobicContact CG-CG2 4.46Å; R246-V250 WeakPolarHBondContact O-CG2 3.26Å; R246-V250 PolarHBondContact O-N 3.38Å; R247-V250 PolarHBondContact O-N 3.11Å; H248-V250 PolarHBondContact O-N 3.49Å; V250-E252 VanDerWaalsContact C-N 3.26Å; V250-E252 PolarHBondContact O-N 3.08Å; V250-M253 PolarHBondContact O-N 2.97Å; V250-D254 HydrophobicContact CG1-CB 3.84Å; V250-D254 VanDerWaalsContact O-CB 3.25Å; V250-D254 WeakPolarHBondContact O-CB 3.35Å; V250-D254 PolarHBondContact O-N 3.06Å |
| 251 | E | 88.8 | Confident | 86.4 | Confident | 145 Ų | 145 | 40.8 Ų | 40.8 | 68% | 0.678 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.1 | -37.8 | 177.6 | -174.3 | 174.3 | -171.2 | 0 | 0 | 112.8 | R247 H248 | R247-E251 WeakPolarHBondContact O-CB 3.39Å; R247-E251 PolarHBondContact O-N 2.9Å; H248-E251 PolarHBondContact O-N 3.16Å |
| 252 | E | 90.5 | Very high | 86.1 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 29% | 0.29 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -78.6 | -38.3 | 178.7 | -69.6 | -60.5 | 149.1 | 0 | 0 | 113.2 | H248 V249 V250 K255 | H248-E252 IonicContact CE1-OE1 2.69Å; H248-E252 WeakPolarHBondContact O-CG 3.15Å; H248-E252 PolarHBondContact O-N 3.24Å; V249-E252 PolarHBondContact O-N 3.23Å; V250-E252 VanDerWaalsContact C-N 3.26Å; V250-E252 PolarHBondContact O-N 3.08Å; E252-K255 WeakPolarHBondContact O-CE 3.39Å; E252-K255 PolarHBondContact O-NZ 3.27Å |
| 253 | M | 90 | Very high | 86.1 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -105.2 | -37.7 | -168.3 | -66.6 | -174.3 | -177.1 | 0 | 0 | 114.8 | G175 V249 V250 K255 I261 E265 F266 E269 | G175-M253 WeakPolarHBondContact O-CE 3.31Å; V249-M253 HydrophobicContact CG1-CE 4.21Å; V249-M253 HydrophobicContact CG1-CG 4.28Å; V249-M253 HydrophobicContact CG1-SD 3.72Å; V249-M253 WeakPolarHBondContact O-CB 3.31Å; V249-M253 PolarHBondContact O-N 2.85Å; V250-M253 PolarHBondContact O-N 2.97Å; M253-K255 WeakPolarHBondContact O-CG 3.33Å; M253-K255 PolarHBondContact O-N 3.16Å; M253-I261 HydrophobicContact CB-CD1 3.71Å; M253-I261 HydrophobicContact CB-CG1 4.21Å; M253-I261 HydrophobicContact CB-CG2 4.26Å; M253-I261 HydrophobicContact CG-CD1 4.39Å; M253-I261 HydrophobicContact SD-CD1 3.96Å; M253-I261 HydrophobicContact SD-CG2 4.49Å; M253-E265 WeakPolarHBondContact O-CB 3.47Å; M253-F266 HydrophobicContact SD-CD2 4.04Å; M253-F266 HydrophobicContact SD-CE2 4.45Å; M253-E269 HydrophobicContact CE-CB 4.27Å; M253-E269 HydrophobicContact CE-CG 3.7Å; M253-E269 HydrophobicContact CG-CB 4.17Å; M253-E269 HydrophobicContact CG-CG 3.84Å; M253-E269 HydrophobicContact SD-CG 4.37Å |
| 254 | D | 84.9 | Confident | 86.1 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | trans | -75.1 | 106.2 | -176.7 | 174 | 8.5 | 0 | 0 | 0 | 109.5 | V250 D256 G257 D258 H259 | V250-D254 HydrophobicContact CG1-CB 3.84Å; V250-D254 VanDerWaalsContact O-CB 3.25Å; V250-D254 WeakPolarHBondContact O-CB 3.35Å; V250-D254 PolarHBondContact O-N 3.06Å; D254-D256 PolarHBondContact OD1-N 2.96Å; D254-G257 VanDerWaalsContact OD1-CA 3.31Å; D254-G257 WeakPolarHBondContact OD1-CA 3.22Å; D254-G257 PolarHBondContact OD1-N 3.3Å; D254-G257 VanDerWaalsContact OD2-CA 3.31Å; D254-G257 WeakPolarHBondContact OD2-CA 3.45Å; D254-D258 PolarHBondContact OD1-N 3.16Å; D254-D258 PolarHBondContact OD2-N 2.91Å; D254-H259 VanDerWaalsContact OD2-CA 3.23Å; D254-H259 WeakPolarHBondContact OD2-CA 3.25Å; D254-H259 PolarHBondContact OD2-N 3.25Å | ||
| 255 | K | 84 | Confident | 86 | Confident | 138 Ų | 138 | 44.6 Ų | 44.6 | 60% | 0.6 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -94.3 | -22.7 | -173 | -59.2 | -49.1 | -178 | -171.1 | 0 | 112.5 | E252 M253 E265 | E252-K255 WeakPolarHBondContact O-CE 3.39Å; E252-K255 PolarHBondContact O-NZ 3.27Å; M253-K255 WeakPolarHBondContact O-CG 3.33Å; M253-K255 PolarHBondContact O-N 3.16Å; K255-E265 HydrophobicContact CB-CG 4.42Å; K255-E265 HydrophobicContact CG-CG 4.28Å; K255-E265 PolarHBondContact N-OE1 3.01Å |
| 256 | D | 74 | Confident | 85.9 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -100.5 | -6 | 178.9 | 71.6 | 11.7 | 0 | 0 | 0 | 113.6 | R37 D254 D258 E265 | R37-D256 HydrophobicContact CB-CB 4.38Å; R37-D256 HydrophobicContact CG-CB 4.38Å; D254-D256 PolarHBondContact OD1-N 2.96Å; D256-D258 WeakPolarHBondContact OD1-CB 3.34Å; D256-D258 VanDerWaalsContact OD1-CG 3.24Å; D256-D258 PolarHBondContact OD1-N 3.21Å; D256-E265 PolarHBondContact N-OE1 3.5Å |
| 257 | G | 68.4 | Low | 86 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 75.5 | 24.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D254 H259 | D254-G257 VanDerWaalsContact OD1-CA 3.31Å; D254-G257 WeakPolarHBondContact OD1-CA 3.22Å; D254-G257 PolarHBondContact OD1-N 3.3Å; D254-G257 VanDerWaalsContact OD2-CA 3.31Å; D254-G257 WeakPolarHBondContact OD2-CA 3.45Å; G257-H259 VanDerWaalsContact C-N 3.29Å |
| 258 | D | 70 | Confident | 86 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -86.4 | 1.3 | -179.7 | 81.6 | -5.1 | 0 | 0 | 0 | 113.7 | D254 D256 L260 | D254-D258 PolarHBondContact OD1-N 3.16Å; D254-D258 PolarHBondContact OD2-N 2.91Å; D256-D258 WeakPolarHBondContact OD1-CB 3.34Å; D256-D258 VanDerWaalsContact OD1-CG 3.24Å; D256-D258 PolarHBondContact OD1-N 3.21Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 WeakPolarHBondContact OD1-CA 3.09Å; D258-L260 WeakPolarHBondContact OD1-CB 3.46Å; D258-L260 PolarHBondContact OD1-N 3.34Å; D258-L260 VanDerWaalsContact OD1-O 3.04Å |
| 259 | H | 73.7 | Confident | 85.8 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 61.4 | 19 | -175.4 | -61.7 | -81.3 | 0 | 0 | 0 | 114.2 | D254 G257 | D254-H259 VanDerWaalsContact OD2-CA 3.23Å; D254-H259 WeakPolarHBondContact OD2-CA 3.25Å; D254-H259 PolarHBondContact OD2-N 3.25Å; G257-H259 VanDerWaalsContact C-N 3.29Å |
| 260 | L | 81.7 | Confident | 85.7 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -119.2 | 153.1 | 170.9 | -55.4 | 173.8 | 0 | 0 | 0 | 107.9 | Y211 D213 D258 | Y211-L260 HydrophobicContact CD1-CB 3.87Å; Y211-L260 HydrophobicContact CD1-CD1 4.3Å; Y211-L260 HydrophobicContact CG-CB 4.25Å; Y211-L260 HydrophobicContact CG-CD1 4.29Å; D213-L260 HydrophobicContact CB-CD2 3.71Å; D258-L260 PolarHBondContact O-N 3.05Å; D258-L260 WeakPolarHBondContact OD1-CA 3.09Å; D258-L260 WeakPolarHBondContact OD1-CB 3.46Å; D258-L260 PolarHBondContact OD1-N 3.34Å; D258-L260 VanDerWaalsContact OD1-O 3.04Å |
| 261 | I | 86.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 108.9 | 175.4 | -60.6 | 176.2 | 0 | 0 | 0 | 108.1 | F201 Y211 L212 L217 V249 M253 E265 F266 | F201-I261 WeakPolarHBondContact CE2-O 3.26Å; Y211-I261 CarbonylContact C-O 3.54Å; Y211-I261 WeakPolarHBondContact CA-O 3.37Å; L212-I261 HydrophobicContact CB-CB 4.32Å; L212-I261 PolarHBondContact N-O 3.45Å; L212-I261 PolarHBondContact O-N 2.89Å; L217-I261 HydrophobicContact CD1-CD1 3.71Å; L217-I261 HydrophobicContact CD1-CG1 4.38Å; L217-I261 HydrophobicContact CD2-CD1 3.9Å; L217-I261 HydrophobicContact CG-CD1 4.4Å; V249-I261 HydrophobicContact CG1-CD1 3.76Å; M253-I261 HydrophobicContact CB-CD1 3.71Å; M253-I261 HydrophobicContact CB-CG1 4.21Å; M253-I261 HydrophobicContact CB-CG2 4.26Å; M253-I261 HydrophobicContact CG-CD1 4.39Å; M253-I261 HydrophobicContact SD-CD1 3.96Å; M253-I261 HydrophobicContact SD-CG2 4.49Å; I261-E265 HydrophobicContact CG2-CB 4.18Å; I261-F266 HydrophobicContact CG2-CB 3.93Å; I261-F266 HydrophobicContact CG2-CD2 4.31Å |
| 262 | S | 87.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 157.8 | 174.4 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | S264 E265 F266 | S262-S264 PolarHBondContact O-N 3.02Å; S262-S264 VanDerWaalsContact O-N 3.14Å; S262-S264 PolarHBondContact OG-OG 2.94Å; S262-E265 WeakPolarHBondContact CB-OE2 3.47Å; S262-E265 PolarHBondContact N-OE2 2.86Å; S262-E265 PolarHBondContact O-N 3.17Å; S262-E265 VanDerWaalsContact O-N 3.1Å; S262-E265 VanDerWaalsContact OG-CD 3.31Å; S262-E265 WeakPolarHBondContact OG-CG 3.49Å; S262-E265 PolarHBondContact OG-N 3.17Å; S262-E265 PolarHBondContact OG-OE2 2.94Å; S262-F266 WeakPolarHBondContact O-CB 3.41Å; S262-F266 PolarHBondContact O-N 2.92Å |
| 263 | L | 92.2 | Very high | 85.7 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.9 | -34.8 | 172.6 | 179 | 65.8 | 0 | 0 | 0 | 112.2 | K198 F201 L267 | K198-L263 HydrophobicContact CG-CD1 4.29Å; F201-L263 HydrophobicContact CB-CD1 3.71Å; F201-L263 HydrophobicContact CD1-CB 4.1Å; F201-L263 HydrophobicContact CD1-CD1 3.61Å; F201-L263 HydrophobicContact CD1-CG 4.38Å; F201-L263 HydrophobicContact CD2-CD1 4.06Å; F201-L263 HydrophobicContact CE1-CB 3.85Å; F201-L263 HydrophobicContact CE1-CD1 4.26Å; F201-L263 HydrophobicContact CE2-CB 4.26Å; F201-L263 HydrophobicContact CG-CB 4.43Å; F201-L263 HydrophobicContact CG-CD1 3.5Å; F201-L263 VanDerWaalsContact CG-CD1 3.5Å; F201-L263 HydrophobicContact CZ-CB 3.94Å; F201-L263 VanDerWaalsContact CZ-N 3.33Å; L263-L267 HydrophobicContact CD1-CD1 3.89Å; L263-L267 HydrophobicContact CD1-CG 4Å; L263-L267 HydrophobicContact CG-CD1 3.97Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 WeakPolarHBondContact O-CB 3.39Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.22Å |
| 264 | S | 92.3 | Very high | 85.5 | Confident | 92 Ų | 92 | 54.1 Ų | 54.1 | 64% | 0.643 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.5 | -41 | 178 | 27.8 | 0 | 0 | 0 | 0 | 113.1 | S262 G268 | S262-S264 PolarHBondContact O-N 3.02Å; S262-S264 VanDerWaalsContact O-N 3.14Å; S262-S264 PolarHBondContact OG-OG 2.94Å; S264-G268 PolarHBondContact O-N 3.38Å |
| 265 | E | 90.3 | Very high | 85.8 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 178.3 | -74.2 | 161.5 | 136.1 | 0 | 0 | 110.7 | M253 K255 D256 I261 S262 L267 G268 E269 | M253-E265 WeakPolarHBondContact O-CB 3.47Å; K255-E265 HydrophobicContact CB-CG 4.42Å; K255-E265 HydrophobicContact CG-CG 4.28Å; K255-E265 PolarHBondContact N-OE1 3.01Å; D256-E265 PolarHBondContact N-OE1 3.5Å; I261-E265 HydrophobicContact CG2-CB 4.18Å; S262-E265 WeakPolarHBondContact CB-OE2 3.47Å; S262-E265 PolarHBondContact N-OE2 2.86Å; S262-E265 PolarHBondContact O-N 3.17Å; S262-E265 VanDerWaalsContact O-N 3.1Å; S262-E265 VanDerWaalsContact OG-CD 3.31Å; S262-E265 WeakPolarHBondContact OG-CG 3.49Å; S262-E265 PolarHBondContact OG-N 3.17Å; S262-E265 PolarHBondContact OG-OE2 2.94Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.94Å; E265-G268 VanDerWaalsContact O-CA 3.32Å; E265-G268 WeakPolarHBondContact O-CA 3.48Å; E265-G268 PolarHBondContact O-N 3.34Å; E265-E269 PolarHBondContact O-N 2.75Å |
| 266 | F | 92.9 | Very high | 86 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56 | -45.3 | 176.7 | -169.1 | -103.3 | 0 | 0 | 0 | 112.4 | L180 M197 F200 F201 L212 M253 I261 S262 G268 E269 | L180-F266 HydrophobicContact CD1-CE2 4.12Å; L180-F266 HydrophobicContact CD1-CZ 3.62Å; L180-F266 HydrophobicContact CD2-CZ 4.33Å; M197-F266 HydrophobicContact CB-CD1 4.43Å; M197-F266 HydrophobicContact CB-CE1 4.02Å; M197-F266 HydrophobicContact CE-CD1 4.09Å; M197-F266 HydrophobicContact CE-CE1 3.99Å; M197-F266 WeakPolarHBondContact CE-O 3.38Å; M197-F266 WeakPolarHBondContact O-CE1 3.48Å; F200-F266 HydrophobicContact CD1-CE1 4.14Å; F200-F266 AromaticContact CD1-CZ 3.7Å; F200-F266 HydrophobicContact CD1-CZ 3.7Å; F200-F266 HydrophobicContact CE1-CZ 4.1Å; F201-F266 HydrophobicContact CB-CD1 3.97Å; F201-F266 HydrophobicContact CB-CE1 4.12Å; F201-F266 HydrophobicContact CD2-CB 3.73Å; F201-F266 AromaticContact CD2-CD1 3.81Å; F201-F266 HydrophobicContact CD2-CD1 3.81Å; F201-F266 HydrophobicContact CD2-CD2 4.35Å; F201-F266 HydrophobicContact CD2-CE1 4.5Å; F201-F266 AromaticContact CD2-CG 3.71Å; F201-F266 HydrophobicContact CD2-CG 3.71Å; F201-F266 HydrophobicContact CE2-CB 4.04Å; F201-F266 HydrophobicContact CE2-CG 4.42Å; F201-F266 HydrophobicContact CG-CD1 4.37Å; L212-F266 HydrophobicContact CD1-CD2 4.15Å; L212-F266 HydrophobicContact CD1-CE2 4.18Å; M253-F266 HydrophobicContact SD-CD2 4.04Å; M253-F266 HydrophobicContact SD-CE2 4.45Å; I261-F266 HydrophobicContact CG2-CB 3.93Å; I261-F266 HydrophobicContact CG2-CD2 4.31Å; S262-F266 WeakPolarHBondContact O-CB 3.41Å; S262-F266 PolarHBondContact O-N 2.92Å; F266-G268 VanDerWaalsContact C-N 3.3Å; F266-E269 PolarHBondContact O-N 3.48Å |
| 267 | L | 93.7 | Very high | 86.6 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 26% | 0.257 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -75.3 | -19.4 | 175.2 | -64.5 | 179.7 | 0 | 0 | 0 | 113.3 | M197 K198 L263 E265 E269 | M197-L267 HydrophobicContact CB-CD2 3.6Å; K198-L267 HydrophobicContact CB-CD1 4.45Å; K198-L267 HydrophobicContact CB-CD2 4.25Å; L263-L267 HydrophobicContact CD1-CD1 3.89Å; L263-L267 HydrophobicContact CD1-CG 4Å; L263-L267 HydrophobicContact CG-CD1 3.97Å; L263-L267 HydrophobicContact CG-CG 4.38Å; L263-L267 WeakPolarHBondContact O-CB 3.39Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.22Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 2.94Å; L267-E269 VanDerWaalsContact C-N 3.33Å |
| 268 | G | 91.1 | Very high | 87.3 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S264 E265 F266 E270 K271 | S264-G268 PolarHBondContact O-N 3.38Å; E265-G268 VanDerWaalsContact O-CA 3.32Å; E265-G268 WeakPolarHBondContact O-CA 3.48Å; E265-G268 PolarHBondContact O-N 3.34Å; F266-G268 VanDerWaalsContact C-N 3.3Å; G268-E270 PolarHBondContact O-N 3.01Å; G268-K271 PolarHBondContact O-N 2.67Å |
| 269 | E | 90.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -27.4 | -178.6 | -163.6 | 54.7 | -146.8 | 0 | 0 | 113 | M253 E265 F266 L267 K271 T272 F275 | M253-E269 HydrophobicContact CE-CB 4.27Å; M253-E269 HydrophobicContact CE-CG 3.7Å; M253-E269 HydrophobicContact CG-CB 4.17Å; M253-E269 HydrophobicContact CG-CG 3.84Å; M253-E269 HydrophobicContact SD-CG 4.37Å; E265-E269 PolarHBondContact O-N 2.75Å; F266-E269 PolarHBondContact O-N 3.48Å; L267-E269 VanDerWaalsContact C-N 3.33Å; E269-K271 PolarHBondContact O-N 2.71Å; E269-T272 VanDerWaalsContact CD-OG1 3.31Å; E269-T272 PolarHBondContact O-N 3.34Å; E269-T272 PolarHBondContact O-OG1 3.34Å; E269-T272 WeakPolarHBondContact OE1-CB 3.49Å; E269-T272 WeakPolarHBondContact OE1-CG2 3.33Å; E269-T272 PolarHBondContact OE1-OG1 3.36Å; E269-T272 WeakPolarHBondContact OE2-CG2 3.31Å; E269-F275 HydrophobicContact CG-CB 4.29Å; E269-F275 HydrophobicContact CG-CD2 4.28Å; E269-F275 WeakPolarHBondContact O-CB 3.37Å |
| 270 | E | 88.7 | Confident | 88.9 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -27.4 | 176.5 | -166.3 | 179.8 | 177.4 | 0 | 0 | 113.6 | M197 G268 F275 | M197-E270 HydrophobicContact CE-CB 3.97Å; M197-E270 HydrophobicContact SD-CB 3.5Å; M197-E270 VanDerWaalsContact SD-CB 3.5Å; M197-E270 HydrophobicContact SD-CG 3.47Å; M197-E270 WeakPolarHBondContact SD-CG 3.4Å; G268-E270 PolarHBondContact O-N 3.01Å; E270-F275 HydrophobicContact CB-CD1 4.48Å; E270-F275 HydrophobicContact CB-CE1 4.33Å; E270-F275 HydrophobicContact CG-CD1 4.34Å; E270-F275 HydrophobicContact CG-CE1 3.93Å |
| 271 | K | 87.5 | Confident | 89.5 | Confident | 181 Ų | 181 | 54.8 Ų | 54.8 | 79% | 0.787 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -8.3 | -174.8 | -59 | 172.2 | -171.2 | 162.3 | 0 | 113.5 | G268 E269 | G268-K271 PolarHBondContact O-N 2.67Å; E269-K271 PolarHBondContact O-N 2.71Å |
| 272 | T | 89.7 | Confident | 89.8 | Confident | 42 Ų | 42 | 58.7 Ų | 58.7 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -78.5 | 159.1 | 178.6 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | E269 D274 F275 | E269-T272 VanDerWaalsContact CD-OG1 3.31Å; E269-T272 PolarHBondContact O-N 3.34Å; E269-T272 PolarHBondContact O-OG1 3.34Å; E269-T272 WeakPolarHBondContact OE1-CB 3.49Å; E269-T272 WeakPolarHBondContact OE1-CG2 3.33Å; E269-T272 PolarHBondContact OE1-OG1 3.36Å; E269-T272 WeakPolarHBondContact OE2-CG2 3.31Å; T272-D274 VanDerWaalsContact C-N 3.34Å; T272-F275 WeakPolarHBondContact OG1-CB 3.14Å; T272-F275 PolarHBondContact OG1-N 3.16Å |
| 273 | A | 89.4 | Confident | 90.1 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -35.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F275 Q276 S277 | A273-F275 VanDerWaalsContact C-N 3.34Å; A273-F275 PolarHBondContact O-N 3.23Å; A273-Q276 PolarHBondContact O-N 3.19Å; A273-S277 PolarHBondContact O-N 2.79Å; A273-S277 VanDerWaalsContact O-N 3.12Å |
| 274 | D | 86.5 | Confident | 90.1 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -34.8 | -176.4 | -57 | -54.4 | 0 | 0 | 0 | 111.6 | T272 Q276 S277 | T272-D274 VanDerWaalsContact C-N 3.34Å; D274-Q276 VanDerWaalsContact C-N 3.32Å; D274-Q276 PolarHBondContact O-N 3.48Å; D274-S277 VanDerWaalsContact O-CB 3.26Å; D274-S277 WeakPolarHBondContact O-CB 3.2Å; D274-S277 PolarHBondContact O-N 3.07Å; D274-S277 VanDerWaalsContact O-N 3.1Å |
| 275 | F | 91.4 | Very high | 90 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.5 | 173.1 | -178.6 | -103.9 | 0 | 0 | 0 | 113.8 | G175 K177 L180 M197 E269 E270 T272 A273 S277 | G175-F275 WeakPolarHBondContact O-CD2 3.29Å; K177-F275 HydrophobicContact CB-CD1 4.07Å; K177-F275 HydrophobicContact CB-CE1 3.61Å; K177-F275 HydrophobicContact CB-CE2 4.12Å; K177-F275 HydrophobicContact CB-CZ 3.62Å; K177-F275 VanDerWaalsContact CB-O 3.31Å; K177-F275 WeakPolarHBondContact CB-O 3.45Å; K177-F275 HydrophobicContact CD-CE1 4.05Å; K177-F275 HydrophobicContact CG-CE1 3.99Å; K177-F275 HydrophobicContact CG-CZ 4.02Å; K177-F275 PolarHBondContact N-O 3.41Å; L180-F275 HydrophobicContact CD1-CE2 3.77Å; L180-F275 HydrophobicContact CD1-CZ 4.38Å; M197-F275 HydrophobicContact CE-CD2 4.5Å; M197-F275 HydrophobicContact CE-CE1 4.4Å; M197-F275 HydrophobicContact CE-CE2 3.68Å; M197-F275 HydrophobicContact CE-CZ 3.63Å; M197-F275 HydrophobicContact CG-CZ 4.29Å; M197-F275 HydrophobicContact SD-CE1 3.89Å; M197-F275 HydrophobicContact SD-CE2 4.14Å; M197-F275 HydrophobicContact SD-CZ 3.42Å; M197-F275 WeakPolarHBondContact SD-CZ 3.31Å; E269-F275 HydrophobicContact CG-CB 4.29Å; E269-F275 HydrophobicContact CG-CD2 4.28Å; E269-F275 WeakPolarHBondContact O-CB 3.37Å; E270-F275 HydrophobicContact CB-CD1 4.48Å; E270-F275 HydrophobicContact CB-CE1 4.33Å; E270-F275 HydrophobicContact CG-CD1 4.34Å; E270-F275 HydrophobicContact CG-CE1 3.93Å; T272-F275 WeakPolarHBondContact OG1-CB 3.14Å; T272-F275 PolarHBondContact OG1-N 3.16Å; A273-F275 VanDerWaalsContact C-N 3.34Å; A273-F275 PolarHBondContact O-N 3.23Å; F275-S277 VanDerWaalsContact C-N 3.33Å |
| 276 | Q | 88.9 | Confident | 90 | Very high | 100 Ų | 100 | 54 Ų | 54 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3.2 | 179.3 | -59.5 | -68.5 | -22.3 | 0 | 0 | 112.6 | A273 D274 | A273-Q276 PolarHBondContact O-N 3.19Å; D274-Q276 VanDerWaalsContact C-N 3.32Å; D274-Q276 PolarHBondContact O-N 3.48Å |
| 277 | S | 86.3 | Confident | 89.7 | Confident | 41 Ų | 41 | 58 Ų | 58 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | trans | -71.6 | 130.6 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | A273 D274 F275 S279 | A273-S277 PolarHBondContact O-N 2.79Å; A273-S277 VanDerWaalsContact O-N 3.12Å; D274-S277 VanDerWaalsContact O-CB 3.26Å; D274-S277 WeakPolarHBondContact O-CB 3.2Å; D274-S277 PolarHBondContact O-N 3.07Å; D274-S277 VanDerWaalsContact O-N 3.1Å; F275-S277 VanDerWaalsContact C-N 3.33Å; S277-S279 WeakPolarHBondContact CB-OG 3.43Å; S277-S279 PolarHBondContact O-N 3.11Å; S277-S279 WeakPolarHBondContact OG-CB 3.43Å; S277-S279 PolarHBondContact OG-N 3.38Å; S277-S279 VanDerWaalsContact OG-N 3.15Å; S277-S279 PolarHBondContact OG-OG 2.97Å | ||
| 278 | D | 83.8 | Confident | 89.6 | Confident | 132 Ų | 132 | 63 Ų | 63 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | trans | -84.6 | 29.2 | 167.4 | -76.5 | -42.8 | 0 | 0 | 0 | 111.2 | D280 | D278-D280 PolarHBondContact O-N 3.06Š| ||
| 279 | S | 87.3 | Confident | 89.7 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 134.4 | 175.2 | 35.6 | 0 | 0 | 0 | 0 | 109.9 | H173 S277 | H173-S279 WeakPolarHBondContact CB-O 3.48Å; S277-S279 WeakPolarHBondContact CB-OG 3.43Å; S277-S279 PolarHBondContact O-N 3.11Å; S277-S279 WeakPolarHBondContact OG-CB 3.43Å; S277-S279 PolarHBondContact OG-N 3.38Å; S277-S279 VanDerWaalsContact OG-N 3.15Å; S277-S279 PolarHBondContact OG-OG 2.97Å |
| 280 | D | 89.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 63.4 Ų | 63.4 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.9 | 173.9 | -66.2 | -41.6 | 0 | 0 | 0 | 109 | K170 D278 | K170-D280 HydrophobicContact CB-CB 4.36Å; K170-D280 WeakPolarHBondContact CD-OD2 3.42Å; K170-D280 WeakPolarHBondContact CE-OD2 3.49Å; K170-D280 HydrophobicContact CG-CB 4.28Å; K170-D280 WeakPolarHBondContact CG-OD2 3.18Å; K170-D280 IonicContact NZ-OD2 2.72Å; K170-D280 PolarHBondContact NZ-OD2 3.14Å; D278-D280 PolarHBondContact O-N 3.06Å |
| 281 | W | 94.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 124 | 168.8 | -178.2 | -93.9 | 0 | 0 | 0 | 109.7 | L171 P174 E241 R244 M245 H248 | L171-W281 HydrophobicContact CB-CB 4.06Å; L171-W281 PolarHBondContact O-N 3.05Å; P174-W281 HydrophobicContact CG-CD2 3.93Å; P174-W281 HydrophobicContact CG-CE3 3.86Å; P174-W281 HydrophobicContact CG-CG 4.42Å; P174-W281 HydrophobicContact CG-CH2 4.44Å; P174-W281 HydrophobicContact CG-CZ3 4.13Å; E241-W281 PolarHBondContact OE1-NE1 3.04Å; R244-W281 HydrophobicContact CB-CZ2 4.32Å; R244-W281 HydrophobicContact CG-CH2 4.1Å; R244-W281 HydrophobicContact CG-CZ2 3.75Å; M245-W281 HydrophobicContact CE-CG 4.28Å; M245-W281 HydrophobicContact CG-CZ2 3.95Å; H248-W281 HydrophobicContact CB-CH2 3.87Å; H248-W281 HydrophobicContact CB-CZ3 4.04Å; H248-W281 AromaticContact CD2-CZ3 3.74Å; H248-W281 AromaticContact CG-CZ3 3.7Å |
| 282 | S | 93 | Very high | 90.1 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 57% | 0.573 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.5 | 179.3 | -59 | 0 | 0 | 0 | 0 | 109.6 | R244 | R244-S282 PolarHBondContact NH1-O 3.19Å; R244-S282 PolarHBondContact NH2-O 3.13Å; R244-S282 VanDerWaalsContact NH2-O 3.13Å |
| 283 | V | 93.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 143.9 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | L166 M169 L171 V228 Y229 N285 | L166-V283 HydrophobicContact CD2-CG1 4.23Å; M169-V283 HydrophobicContact CB-CG2 4.03Å; M169-V283 HydrophobicContact CG-CG2 4.1Å; L171-V283 HydrophobicContact CD1-CG2 3.76Å; L171-V283 HydrophobicContact CG-CG2 3.89Å; V228-V283 HydrophobicContact CG1-CG1 3.64Å; V228-V283 HydrophobicContact CG1-CG2 4.08Å; V228-V283 HydrophobicContact CG2-CG2 3.99Å; Y229-V283 HydrophobicContact CE2-CG1 4.14Å; Y229-V283 WeakPolarHBondContact OH-CG1 3.41Å; V283-N285 PolarHBondContact O-N 2.88Å |
| 284 | M | 91.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.108 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 136.3 | 173.8 | -77.1 | 177.4 | -47.4 | 0 | 0 | 111.8 | Y129 E237 E240 E241 P286 | Y129-M284 HydrophobicContact CE1-SD 4.24Å; Y129-M284 HydrophobicContact CE2-CE 4.5Å; E237-M284 VanDerWaalsContact O-CE 3.3Å; E237-M284 WeakPolarHBondContact O-CE 3.34Å; E240-M284 HydrophobicContact CB-CE 3.81Å; E240-M284 HydrophobicContact CB-SD 4.25Å; E240-M284 HydrophobicContact CG-CE 3.82Å; E240-M284 HydrophobicContact CG-SD 3.55Å; E240-M284 VanDerWaalsContact CG-SD 3.55Å; E241-M284 HydrophobicContact CB-CE 3.67Å; E241-M284 VanDerWaalsContact N-CE 3.35Å; E241-M284 WeakPolarHBondContact OE2-CE 3.33Å; E241-M284 WeakPolarHBondContact OE2-CG 3.46Å; M284-P286 WeakPolarHBondContact O-CD 3.15Å |
| 285 | N | 90.7 | Very high | 90.6 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | trans | -96.7 | 113.9 | 173.8 | 177.4 | 16.8 | 0 | 0 | 0 | 109.3 | K167 V283 E287 E288 | K167-N285 WeakPolarHBondContact CE-ND2 3.38Å; K167-N285 WeakPolarHBondContact CE-OD1 3.21Å; K167-N285 PolarHBondContact NZ-ND2 2.75Å; V283-N285 PolarHBondContact O-N 2.88Å; N285-E287 PolarHBondContact O-N 3.37Å; N285-E287 VanDerWaalsContact O-N 3.11Å; N285-E287 PolarHBondContact OD1-N 3.49Å; N285-E288 HydrophobicContact CB-CB 4.3Å; N285-E288 HydrophobicContact CB-CG 4.16Å; N285-E288 WeakPolarHBondContact ND2-CG 3.15Å; N285-E288 PolarHBondContact ND2-OE1 2.73Å; N285-E288 PolarHBondContact O-N 3.41Å | ||
| 286 | P | 89.9 | Confident | 90.6 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 16% | 0.156 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -47.6 | -39.1 | 175.8 | -35.2 | 40.3 | 0 | 0 | 0 | 114.3 | E133 L163 L166 M284 E288 A289 | E133-P286 VanDerWaalsContact OE2-CA 3.23Å; E133-P286 WeakPolarHBondContact OE2-CA 3.3Å; E133-P286 WeakPolarHBondContact OE2-CB 3.31Å; E133-P286 WeakPolarHBondContact OE2-CG 3.33Å; L163-P286 HydrophobicContact CD2-CB 4.11Å; L163-P286 HydrophobicContact CD2-CG 3.98Å; L166-P286 HydrophobicContact CD1-CG 4.22Å; M284-P286 WeakPolarHBondContact O-CD 3.15Å; P286-E288 PolarHBondContact O-N 3.43Å; P286-A289 WeakPolarHBondContact O-CB 3.31Å; P286-A289 PolarHBondContact O-N 2.91Å |
| 287 | E | 88 | Confident | 90.6 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 41% | 0.407 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -68.2 | -17.6 | -178.1 | -60.4 | -179.6 | 134.7 | 0 | 0 | 113.6 | L163 K167 N285 | L163-E287 HydrophobicContact CD1-CG 3.8Å; L163-E287 WeakPolarHBondContact CD1-OE1 3.36Å; L163-E287 HydrophobicContact CD2-CG 4.18Å; K167-E287 IonicContact NZ-OE2 2.7Å; K167-E287 PolarHBondContact NZ-OE2 2.83Å; N285-E287 PolarHBondContact O-N 3.37Å; N285-E287 VanDerWaalsContact O-N 3.11Å; N285-E287 PolarHBondContact OD1-N 3.49Å |
| 288 | E | 91.5 | Very high | 90.8 | Very high | 154 Ų | 154 | 58.2 Ų | 58.2 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -91.8 | -9.3 | 179.7 | -74.1 | 167.5 | -147.4 | 0 | 0 | 112.6 | N285 P286 F290 | N285-E288 HydrophobicContact CB-CB 4.3Å; N285-E288 HydrophobicContact CB-CG 4.16Å; N285-E288 WeakPolarHBondContact ND2-CG 3.15Å; N285-E288 PolarHBondContact ND2-OE1 2.73Å; N285-E288 PolarHBondContact O-N 3.41Å; P286-E288 PolarHBondContact O-N 3.43Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.37Å |
| 289 | A | 91.6 | Very high | 91.2 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -69.2 | -29.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y129 K130 E133 P286 | Y129-A289 HydrophobicContact CD1-CB 4.45Å; Y129-A289 HydrophobicContact CE1-CB 3.92Å; K130-A289 WeakPolarHBondContact CE-O 3.49Å; K130-A289 WeakPolarHBondContact CG-O 3.21Å; E133-A289 HydrophobicContact CB-CB 3.98Å; E133-A289 HydrophobicContact CG-CB 3.7Å; P286-A289 WeakPolarHBondContact O-CB 3.31Å; P286-A289 PolarHBondContact O-N 2.91Å |
| 290 | F | 91.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 55 Ų | 55 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -139.2 | 157.3 | -177.8 | 57.9 | -96.2 | 0 | 0 | 0 | 112.5 | K130 E133 M134 E137 E288 L295 | K130-F290 HydrophobicContact CG-CB 4.07Å; E133-F290 HydrophobicContact CB-CD1 3.9Å; E133-F290 HydrophobicContact CB-CE1 3.82Å; E133-F290 WeakPolarHBondContact O-CE1 3.45Å; M134-F290 HydrophobicContact CB-CD1 4.48Å; M134-F290 HydrophobicContact CG-CB 3.7Å; M134-F290 HydrophobicContact CG-CD1 3.56Å; M134-F290 HydrophobicContact CG-CD2 4.2Å; M134-F290 HydrophobicContact CG-CE1 4.25Å; M134-F290 HydrophobicContact CG-CG 3.54Å; M134-F290 HydrophobicContact SD-CB 4.03Å; M134-F290 HydrophobicContact SD-CG 4.41Å; E137-F290 HydrophobicContact CB-CE1 4.23Å; E137-F290 HydrophobicContact CB-CZ 3.74Å; E137-F290 HydrophobicContact CG-CE2 4.16Å; E137-F290 HydrophobicContact CG-CZ 3.72Å; E288-F290 VanDerWaalsContact C-N 3.33Å; E288-F290 PolarHBondContact O-N 3.37Å; F290-L295 HydrophobicContact CD2-CB 3.92Å; F290-L295 HydrophobicContact CD2-CD1 4.35Å; F290-L295 HydrophobicContact CE2-CB 4.12Å; F290-L295 HydrophobicContact CE2-CD1 4.07Å; F290-L295 HydrophobicContact CE2-CD2 3.94Å; F290-L295 HydrophobicContact CE2-CG 4.27Å; F290-L295 HydrophobicContact CZ-CD1 4.39Å |
| 291 | S | 92.8 | Very high | 91 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | trans | -90.5 | 153.7 | 167.9 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | N293 E294 L295 | S291-N293 PolarHBondContact O-N 3.07Å; S291-N293 VanDerWaalsContact O-N 3.1Å; S291-E294 VanDerWaalsContact CB-OE2 3.3Å; S291-E294 WeakPolarHBondContact CB-OE2 3.27Å; S291-E294 PolarHBondContact N-OE2 2.96Å; S291-E294 WeakPolarHBondContact O-CB 3.44Å; S291-E294 PolarHBondContact O-N 2.83Å; S291-E294 VanDerWaalsContact OG-CG 3.31Å; S291-E294 WeakPolarHBondContact OG-CG 3.36Å; S291-E294 PolarHBondContact OG-N 3.19Å; S291-E294 PolarHBondContact OG-OE2 2.64Å; S291-L295 PolarHBondContact O-N 2.9Å | ||
| 292 | E | 91.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.1 | -29.4 | 176.1 | -175.3 | 61.4 | -155.9 | 0 | 0 | 112.6 | R141 R296 | R141-E292 IonicContact CZ-OE1 3.57Å; R141-E292 IonicContact CZ-OE2 3.19Å; R141-E292 IonicContact NH1-OE1 3.7Å; R141-E292 PolarHBondContact NH1-OE1 3.01Å; R141-E292 IonicContact NH1-OE2 2.75Å; R141-E292 IonicContact NH2-OE1 2.87Å; R141-E292 IonicContact NH2-OE2 2.6Å; R141-E292 PolarHBondContact NH2-OE2 2.73Å; E292-R296 WeakPolarHBondContact O-CB 3.45Å; E292-R296 PolarHBondContact O-N 2.71Å |
| 293 | N | 91.9 | Very high | 90.5 | Very high | 109 Ų | 109 | 52.1 Ų | 52.1 | 58% | 0.583 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.5 | -37.1 | 176.5 | -172.8 | 59.5 | 0 | 0 | 0 | 112.7 | S291 S297 | S291-N293 PolarHBondContact O-N 3.07Å; S291-N293 VanDerWaalsContact O-N 3.1Å; N293-S297 WeakPolarHBondContact O-CB 3.19Å; N293-S297 PolarHBondContact O-N 2.98Å; N293-S297 VanDerWaalsContact O-N 3.15Å; N293-S297 PolarHBondContact O-OG 2.8Å |
| 294 | E | 91.5 | Very high | 90.2 | Very high | 57 Ų | 57 | 58.9 Ų | 58.9 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 171.7 | -75.2 | 164.5 | 121 | 0 | 0 | 110 | K130 M134 S291 R296 S297 Y298 | K130-E294 IonicContact NZ-OE1 3.29Å; K130-E294 PolarHBondContact NZ-OE1 3.08Å; M134-E294 HydrophobicContact SD-CB 4.2Å; S291-E294 VanDerWaalsContact CB-OE2 3.3Å; S291-E294 WeakPolarHBondContact CB-OE2 3.27Å; S291-E294 PolarHBondContact N-OE2 2.96Å; S291-E294 WeakPolarHBondContact O-CB 3.44Å; S291-E294 PolarHBondContact O-N 2.83Å; S291-E294 VanDerWaalsContact OG-CG 3.31Å; S291-E294 WeakPolarHBondContact OG-CG 3.36Å; S291-E294 PolarHBondContact OG-N 3.19Å; S291-E294 PolarHBondContact OG-OE2 2.64Å; E294-R296 PolarHBondContact O-N 2.74Å; E294-S297 WeakPolarHBondContact O-CB 3.07Å; E294-S297 PolarHBondContact O-N 2.8Å; E294-S297 VanDerWaalsContact O-N 3.09Å; E294-Y298 WeakPolarHBondContact O-CB 3.22Å; E294-Y298 PolarHBondContact O-N 2.74Å |
| 295 | L | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57 | -46.3 | 178.2 | -174.5 | 73.7 | 0 | 0 | 0 | 112.2 | M134 E137 L138 F290 S291 S297 Y298 E299 | M134-L295 HydrophobicContact CB-CD1 3.85Å; M134-L295 HydrophobicContact CG-CD1 3.86Å; E137-L295 HydrophobicContact CB-CD1 4.02Å; E137-L295 HydrophobicContact CG-CD1 3.64Å; E137-L295 HydrophobicContact CG-CD2 3.44Å; E137-L295 VanDerWaalsContact CG-CD2 3.44Å; E137-L295 HydrophobicContact CG-CG 4.18Å; L138-L295 HydrophobicContact CD2-CD1 3.99Å; L138-L295 HydrophobicContact CD2-CG 4.18Å; L138-L295 HydrophobicContact CG-CD1 3.88Å; F290-L295 HydrophobicContact CD2-CB 3.92Å; F290-L295 HydrophobicContact CD2-CD1 4.35Å; F290-L295 HydrophobicContact CE2-CB 4.12Å; F290-L295 HydrophobicContact CE2-CD1 4.07Å; F290-L295 HydrophobicContact CE2-CD2 3.94Å; F290-L295 HydrophobicContact CE2-CG 4.27Å; F290-L295 HydrophobicContact CZ-CD1 4.39Å; S291-L295 PolarHBondContact O-N 2.9Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 2.87Å; L295-Y298 PolarHBondContact O-N 2.81Å; L295-E299 WeakPolarHBondContact O-CB 3.42Å; L295-E299 PolarHBondContact O-N 2.78Å |
| 296 | R | 90.9 | Very high | 89.5 | Confident | 165 Ų | 165 | 67 Ų | 67 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.3 | -37.1 | 177.4 | -176.4 | -179.9 | 177.7 | -166.2 | -0.9 | 112.7 | E292 E294 Y298 | E292-R296 WeakPolarHBondContact O-CB 3.45Å; E292-R296 PolarHBondContact O-N 2.71Å; E294-R296 PolarHBondContact O-N 2.74Å; R296-Y298 VanDerWaalsContact C-N 3.34Å |
| 297 | S | 89.2 | Confident | 89 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.1 | -36 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | N293 E294 L295 L321 | N293-S297 WeakPolarHBondContact O-CB 3.19Å; N293-S297 PolarHBondContact O-N 2.98Å; N293-S297 VanDerWaalsContact O-N 3.15Å; N293-S297 PolarHBondContact O-OG 2.8Å; E294-S297 WeakPolarHBondContact O-CB 3.07Å; E294-S297 PolarHBondContact O-N 2.8Å; E294-S297 VanDerWaalsContact O-N 3.09Å; L295-S297 VanDerWaalsContact C-N 3.29Å; L295-S297 PolarHBondContact O-N 2.87Å; S297-L321 WeakPolarHBondContact O-CD2 3.42Å |
| 298 | Y | 90.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 175.9 | -171.4 | -110 | 0 | 0 | 0 | 112.8 | R131 M134 D135 L138 E294 L295 R296 A300 V301 W302 | R131-Y298 HydrophobicContact CG-CE2 3.93Å; R131-Y298 VanDerWaalsContact CG-OH 3.31Å; R131-Y298 WeakPolarHBondContact CG-OH 3.13Å; R131-Y298 PolarHBondContact NE-OH 3.1Å; M134-Y298 HydrophobicContact CB-CD1 3.67Å; M134-Y298 HydrophobicContact CB-CE1 3.97Å; M134-Y298 HydrophobicContact CB-CG 4.41Å; M134-Y298 HydrophobicContact CE-CD1 4.1Å; M134-Y298 HydrophobicContact CE-CD2 3.95Å; M134-Y298 HydrophobicContact CE-CE2 4.47Å; M134-Y298 HydrophobicContact CE-CG 3.77Å; M134-Y298 HydrophobicContact SD-CD1 4.28Å; M134-Y298 HydrophobicContact SD-CG 4.1Å; D135-Y298 WeakPolarHBondContact OD1-CE1 3.28Å; D135-Y298 PolarHBondContact OD1-OH 3.19Å; D135-Y298 PolarHBondContact OD2-OH 3.49Å; D135-Y298 VanDerWaalsContact OD2-OH 3.12Å; L138-Y298 HydrophobicContact CD1-CD1 3.56Å; L138-Y298 HydrophobicContact CD1-CE1 3.99Å; E294-Y298 WeakPolarHBondContact O-CB 3.22Å; E294-Y298 PolarHBondContact O-N 2.74Å; L295-Y298 PolarHBondContact O-N 2.81Å; R296-Y298 VanDerWaalsContact C-N 3.34Å; Y298-A300 PolarHBondContact O-N 3.43Å; Y298-A300 VanDerWaalsContact O-N 3.16Å; Y298-V301 PolarHBondContact O-N 3.05Å; Y298-W302 HydrophobicContact CD1-CB 4.48Å; Y298-W302 HydrophobicContact CE1-CB 4.33Å; Y298-W302 PolarHBondContact O-N 3.44Å |
| 299 | E | 90.8 | Very high | 87.2 | Confident | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -50.8 | -41.4 | 177.9 | -174 | 174.4 | -156.5 | 0 | 0 | 112.4 | L138 L295 V301 W302 E303 | L138-E299 HydrophobicContact CD1-CB 4.21Å; L138-E299 HydrophobicContact CD2-CB 3.77Å; L138-E299 HydrophobicContact CD2-CG 3.79Å; L295-E299 WeakPolarHBondContact O-CB 3.42Å; L295-E299 PolarHBondContact O-N 2.78Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 2.97Å; E299-W302 PolarHBondContact O-N 3.44Å; E299-E303 HydrophobicContact CG-CG 4.16Å; E299-E303 WeakPolarHBondContact O-CB 3.31Å; E299-E303 WeakPolarHBondContact O-CG 3.4Å; E299-E303 PolarHBondContact O-N 3.41Å |
| 300 | A | 86.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y298 | Y298-A300 PolarHBondContact O-N 3.43Å; Y298-A300 VanDerWaalsContact O-N 3.16Å |
| 301 | V | 87 | Confident | 82.9 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -79.2 | -44.1 | 175 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | Y298 E299 E303 K304 E305 L321 | Y298-V301 PolarHBondContact O-N 3.05Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-V301 PolarHBondContact O-N 2.97Å; V301-E303 PolarHBondContact O-N 3.29Å; V301-K304 WeakPolarHBondContact O-CB 3.42Å; V301-K304 PolarHBondContact O-N 3.37Å; V301-K304 VanDerWaalsContact O-N 3.1Å; V301-E305 HydrophobicContact CG1-CG 4.33Å; V301-E305 WeakPolarHBondContact O-CG 3.49Å; V301-E305 PolarHBondContact O-N 2.88Å; V301-L321 HydrophobicContact CB-CD2 4.2Å; V301-L321 HydrophobicContact CG2-CD2 3.37Å |
| 302 | W | 89.8 | Confident | 80.3 | Confident | 5 Ų | 5 | 79.6 Ų | 79.6 | 2% | 0.019 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 178.2 | -177.1 | 94 | 0 | 0 | 0 | 112.7 | L138 E139 H142 Y298 E299 K304 E305 H306 Y308 | L138-W302 HydrophobicContact CB-CD2 3.89Å; L138-W302 HydrophobicContact CB-CE3 4.2Å; L138-W302 HydrophobicContact CB-CG 4.27Å; L138-W302 HydrophobicContact CB-CZ2 4.24Å; L138-W302 HydrophobicContact CD1-CB 3.5Å; L138-W302 HydrophobicContact CD1-CD2 3.84Å; L138-W302 HydrophobicContact CD1-CE3 4.31Å; L138-W302 HydrophobicContact CD1-CG 3.46Å; L138-W302 VanDerWaalsContact CD1-CG 3.46Å; E139-W302 HydrophobicContact CG-CZ2 3.83Å; H142-W302 HydrophobicContact CB-CH2 3.77Å; H142-W302 HydrophobicContact CB-CZ3 4.21Å; H142-W302 AromaticContact CG-CH2 3.96Å; Y298-W302 HydrophobicContact CD1-CB 4.48Å; Y298-W302 HydrophobicContact CE1-CB 4.33Å; Y298-W302 PolarHBondContact O-N 3.44Å; E299-W302 PolarHBondContact O-N 3.44Å; W302-K304 PolarHBondContact O-N 3.39Å; W302-E305 PolarHBondContact O-N 2.9Å; W302-H306 AromaticContact CD1-CE1 3.37Å; W302-H306 AromaticContact CD1-ND1 3.5Å; W302-H306 AromaticContact CD2-ND1 3.66Å; W302-H306 AromaticContact CE2-CE1 3.64Å; W302-H306 AromaticContact CE2-CG 3.84Å; W302-H306 AromaticContact CE2-ND1 3.47Å; W302-H306 AromaticContact CG-ND1 3.66Å; W302-H306 AromaticContact NE1-CE1 3.12Å; W302-H306 PolarHBondContact NE1-CE1 3.47Å; W302-H306 AromaticContact NE1-ND1 3.39Å; W302-H306 PolarHBondContact NE1-ND1 2.9Å; W302-H306 AromaticContact NE1-NE2 3.73Å; W302-H306 WeakPolarHBondContact O-CB 3.33Å; W302-H306 PolarHBondContact O-N 3.33Å; W302-H306 PolarHBondContact O-ND1 3.44Å; W302-Y308 HydrophobicContact CE3-CD2 4.32Å; W302-Y308 AromaticContact CH2-CD2 3.73Å; W302-Y308 HydrophobicContact CH2-CD2 3.73Å; W302-Y308 AromaticContact CH2-CE2 3.48Å; W302-Y308 HydrophobicContact CH2-CE2 3.48Å; W302-Y308 VanDerWaalsContact CH2-CE2 3.48Å; W302-Y308 HydrophobicContact CZ2-CE2 4.32Å; W302-Y308 AromaticContact CZ3-CD2 3.49Å; W302-Y308 HydrophobicContact CZ3-CD2 3.49Å; W302-Y308 VanDerWaalsContact CZ3-CD2 3.49Å; W302-Y308 AromaticContact CZ3-CE2 3.79Å; W302-Y308 HydrophobicContact CZ3-CE2 3.79Å |
| 303 | E | 87.1 | Confident | 77.9 | Confident | 51 Ų | 51 | 80.1 Ų | 80.1 | 24% | 0.238 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.8 | -32.7 | 177.2 | -75.7 | -168.7 | 152.5 | 0 | 0 | 112 | K145 E299 V301 G307 Y308 A309 | K145-E303 IonicContact NZ-OE1 2.71Å; K145-E303 PolarHBondContact NZ-OE1 3.49Å; E299-E303 HydrophobicContact CG-CG 4.16Å; E299-E303 WeakPolarHBondContact O-CB 3.31Å; E299-E303 WeakPolarHBondContact O-CG 3.4Å; E299-E303 PolarHBondContact O-N 3.41Å; V301-E303 PolarHBondContact O-N 3.29Å; E303-G307 PolarHBondContact O-N 2.91Å; E303-Y308 PolarHBondContact O-N 3.32Å; E303-A309 PolarHBondContact O-N 2.89Å |
| 304 | K | 86.8 | Confident | 75.5 | Confident | 155 Ų | 155 | 80.2 Ų | 80.2 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.6 | -41.2 | 175.9 | -176 | -174.6 | 174.2 | -169.6 | 0 | 111.6 | V301 W302 | V301-K304 WeakPolarHBondContact O-CB 3.42Å; V301-K304 PolarHBondContact O-N 3.37Å; V301-K304 VanDerWaalsContact O-N 3.1Å; W302-K304 PolarHBondContact O-N 3.39Å |
| 305 | E | 85.6 | Confident | 73.2 | Confident | 122 Ų | 122 | 84 Ų | 84 | 57% | 0.57 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.3 | -38.7 | 178.5 | -71.3 | -176.3 | 170.7 | 0 | 0 | 112.3 | V301 W302 G307 | V301-E305 HydrophobicContact CG1-CG 4.33Å; V301-E305 WeakPolarHBondContact O-CG 3.49Å; V301-E305 PolarHBondContact O-N 2.88Å; W302-E305 PolarHBondContact O-N 2.9Å; E305-G307 VanDerWaalsContact C-N 3.31Å; E305-G307 PolarHBondContact O-N 3.15Å |
| 306 | H | 81.9 | Confident | 70.9 | Confident | 86 Ų | 86 | 89.6 Ų | 89.6 | 40% | 0.398 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.6 | 180 | -67.2 | 79.7 | 0 | 0 | 0 | 113.9 | W302 Y308 | W302-H306 AromaticContact CD1-CE1 3.37Å; W302-H306 AromaticContact CD1-ND1 3.5Å; W302-H306 AromaticContact CD2-ND1 3.66Å; W302-H306 AromaticContact CE2-CE1 3.64Å; W302-H306 AromaticContact CE2-CG 3.84Å; W302-H306 AromaticContact CE2-ND1 3.47Å; W302-H306 AromaticContact CG-ND1 3.66Å; W302-H306 AromaticContact NE1-CE1 3.12Å; W302-H306 PolarHBondContact NE1-CE1 3.47Å; W302-H306 AromaticContact NE1-ND1 3.39Å; W302-H306 PolarHBondContact NE1-ND1 2.9Å; W302-H306 AromaticContact NE1-NE2 3.73Å; W302-H306 WeakPolarHBondContact O-CB 3.33Å; W302-H306 PolarHBondContact O-N 3.33Å; W302-H306 PolarHBondContact O-ND1 3.44Å; H306-Y308 VanDerWaalsContact C-N 3.31Å; H306-Y308 HydrophobicContact CB-CD2 3.53Å; H306-Y308 HydrophobicContact CB-CE2 3.52Å; H306-Y308 PolarHBondContact O-N 3.38Å |
| 307 | G | 79.1 | Confident | 68.6 | Low | 63 Ų | 63 | 86.4 Ų | 86.4 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 16.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E303 E305 A309 | E303-G307 PolarHBondContact O-N 2.91Å; E305-G307 VanDerWaalsContact C-N 3.31Å; E305-G307 PolarHBondContact O-N 3.15Å; G307-A309 VanDerWaalsContact C-N 3.34Å |
| 308 | Y | 74.4 | Confident | 66.5 | Low | 98 Ų | 98 | 90.1 Ų | 90.1 | 38% | 0.384 | 52% | 0.521 | S | S | . | . | trans | -84 | -9.1 | 174.4 | -61.2 | -57.1 | 0 | 0 | 0 | 113.8 | H142 W302 E303 H306 T310 | H142-Y308 AromaticContact CD2-CD2 3.97Å; H142-Y308 AromaticContact CE1-CD1 3.67Å; H142-Y308 AromaticContact CE1-CE1 3.1Å; H142-Y308 WeakPolarHBondContact CE1-CE1 3.44Å; H142-Y308 AromaticContact CE1-CE2 3.78Å; H142-Y308 AromaticContact CE1-CZ 3.16Å; H142-Y308 PolarHBondContact CE1-OH 2.97Å; H142-Y308 AromaticContact ND1-CE2 3.94Å; H142-Y308 AromaticContact ND1-CZ 3.59Å; H142-Y308 AromaticContact NE2-CD1 3.3Å; H142-Y308 VanDerWaalsContact NE2-CD1 3.3Å; H142-Y308 WeakPolarHBondContact NE2-CD1 3.35Å; H142-Y308 AromaticContact NE2-CD2 3.89Å; H142-Y308 AromaticContact NE2-CE1 3.28Å; H142-Y308 VanDerWaalsContact NE2-CE1 3.28Å; H142-Y308 WeakPolarHBondContact NE2-CE1 3.34Å; H142-Y308 AromaticContact NE2-CE2 3.86Å; H142-Y308 AromaticContact NE2-CG 3.62Å; H142-Y308 AromaticContact NE2-CZ 3.56Å; W302-Y308 HydrophobicContact CE3-CD2 4.32Å; W302-Y308 AromaticContact CH2-CD2 3.73Å; W302-Y308 HydrophobicContact CH2-CD2 3.73Å; W302-Y308 AromaticContact CH2-CE2 3.48Å; W302-Y308 HydrophobicContact CH2-CE2 3.48Å; W302-Y308 VanDerWaalsContact CH2-CE2 3.48Å; W302-Y308 HydrophobicContact CZ2-CE2 4.32Å; W302-Y308 AromaticContact CZ3-CD2 3.49Å; W302-Y308 HydrophobicContact CZ3-CD2 3.49Å; W302-Y308 VanDerWaalsContact CZ3-CD2 3.49Å; W302-Y308 AromaticContact CZ3-CE2 3.79Å; W302-Y308 HydrophobicContact CZ3-CE2 3.79Å; E303-Y308 PolarHBondContact O-N 3.32Å; H306-Y308 VanDerWaalsContact C-N 3.31Å; H306-Y308 HydrophobicContact CB-CD2 3.53Å; H306-Y308 HydrophobicContact CB-CE2 3.52Å; H306-Y308 PolarHBondContact O-N 3.38Å; Y308-T310 PolarHBondContact O-N 3.41Å; Y308-T310 PolarHBondContact O-OG1 3.47Å | ||
| 309 | A | 66 | Low | 64.2 | Low | 62 Ų | 62 | 95.2 Ų | 95.2 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | trans | -53 | 99.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | E303 G307 | E303-A309 PolarHBondContact O-N 2.89Å; G307-A309 VanDerWaalsContact C-N 3.34Å | ||
| 310 | T | 54.6 | Low | 62.1 | Low | 130 Ų | 130 | 100.1 Ų | 100.1 | 80% | 0.798 | 57% | 0.572 | S | S | * | * | trans | -88.2 | 118 | 171.1 | -51.5 | 0 | 0 | 0 | 0 | 106.5 | Y308 I312 | Y308-T310 PolarHBondContact O-N 3.41Å; Y308-T310 PolarHBondContact O-OG1 3.47Å; T310-I312 PolarHBondContact O-N 2.98Å | ||
| 311 | T | 38.2 | Very low | 60 | Low | 131 Ų | 131 | 99 Ų | 99 | 80% | 0.804 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -40.9 | 125 | -175.7 | -31.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 312 | I | 38.4 | Very low | 57.7 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | trans | 113.4 | 91 | 169.2 | -53.4 | 156.9 | 0 | 0 | 0 | 114.7 | T310 | T310-I312 PolarHBondContact O-N 2.98Š| ||
| 313 | S | 42.4 | Very low | 55.6 | Low | 119 Ų | 119 | 104 Ų | 104 | 83% | 0.832 | 59% | 0.592 | S | S | * | * | trans | -151.5 | 104 | 138.6 | -85.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 314 | P | 40.4 | Very low | 53.3 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 71% | 0.714 | 61% | 0.612 | S | S | * | * | trans | -90.9 | 107.1 | 170.7 | 31.9 | -22.2 | 0 | 0 | 0 | 107.7 | ||||
| 315 | T | 43.3 | Very low | 51.3 | Low | 137 Ų | 137 | 103.9 Ų | 103.9 | 84% | 0.84 | 59% | 0.592 | S | S | * | * | trans | 165.5 | 64 | 153.9 | 36.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 316 | M | 45.3 | Very low | 49.3 | Very low | 118 Ų | 118 | 100.3 Ų | 100.3 | 58% | 0.581 | 58% | 0.584 | S | S | * | * | trans | -158.6 | 120.9 | 156.6 | -105.4 | 157 | -171.9 | 0 | 0 | 107.4 | P318 | M316-P318 VanDerWaalsContact O-CD 3.28Å; M316-P318 WeakPolarHBondContact O-CD 3.44Å | ||
| 317 | D | 42.7 | Very low | 47.4 | Very low | 97 Ų | 97 | 104.7 Ų | 104.7 | 52% | 0.519 | 60% | 0.604 | S | S | . | * | trans | -67.9 | 115.6 | 179.6 | -173.1 | -16.1 | 0 | 0 | 0 | 108.9 | N319 Q320 | D317-N319 PolarHBondContact O-N 3.49Å; D317-N319 WeakPolarHBondContact OD1-CB 3.49Å; D317-N319 PolarHBondContact OD1-N 3.43Å; D317-Q320 PolarHBondContact O-N 3.46Å; D317-Q320 VanDerWaalsContact O-N 3.07Å | ||
| 318 | P | 44.3 | Very low | 45.6 | Very low | 97 Ų | 97 | 102.9 Ų | 102.9 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -55.2 | -23.9 | 179.2 | -22.4 | 32.3 | 0 | 0 | 0 | 113.2 | M316 N322 | M316-P318 VanDerWaalsContact O-CD 3.28Å; M316-P318 WeakPolarHBondContact O-CD 3.44Å; P318-N322 WeakPolarHBondContact O-CB 3.44Å; P318-N322 PolarHBondContact O-N 3.37Å; P318-N322 VanDerWaalsContact O-N 3.09Å |
| 319 | N | 43.8 | Very low | 43.7 | Very low | 116 Ų | 116 | 101 Ų | 101 | 62% | 0.62 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.9 | -21.3 | -179.9 | -97.4 | -5.6 | 0 | 0 | 0 | 114.4 | D317 A323 | D317-N319 PolarHBondContact O-N 3.49Å; D317-N319 WeakPolarHBondContact OD1-CB 3.49Å; D317-N319 PolarHBondContact OD1-N 3.43Å; N319-A323 WeakPolarHBondContact O-CB 3.3Å; N319-A323 PolarHBondContact O-N 2.84Å |
| 320 | Q | 45.4 | Very low | 42.2 | Very low | 153 Ų | 153 | 104.7 Ų | 104.7 | 72% | 0.715 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.3 | -38.7 | 177.2 | -81.5 | -169.1 | 69.9 | 0 | 0 | 111.9 | D317 Q324 | D317-Q320 PolarHBondContact O-N 3.46Å; D317-Q320 VanDerWaalsContact O-N 3.07Å; Q320-Q324 PolarHBondContact O-N 2.92Å |
| 321 | L | 43 | Very low | 41.2 | Very low | 32 Ų | 32 | 103.6 Ų | 103.6 | 17% | 0.168 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -68.3 | -49.6 | 174.3 | -149.5 | 81.7 | 0 | 0 | 0 | 109.7 | S297 V301 A323 Q324 Y325 | S297-L321 WeakPolarHBondContact O-CD2 3.42Å; V301-L321 HydrophobicContact CB-CD2 4.2Å; V301-L321 HydrophobicContact CG2-CD2 3.37Å; L321-A323 VanDerWaalsContact C-N 3.25Å; L321-A323 PolarHBondContact O-N 3.39Å; L321-Q324 PolarHBondContact O-N 3.15Å; L321-Q324 VanDerWaalsContact O-N 3.13Å; L321-Y325 HydrophobicContact CD1-CE2 3.95Å; L321-Y325 HydrophobicContact CD2-CD2 4.32Å; L321-Y325 HydrophobicContact CD2-CE2 4.08Å; L321-Y325 HydrophobicContact CG-CD2 3.8Å; L321-Y325 HydrophobicContact CG-CE2 3.57Å; L321-Y325 WeakPolarHBondContact O-CD2 3.41Å; L321-Y325 PolarHBondContact O-N 3.18Å; L321-Y325 VanDerWaalsContact O-N 3.09Å |
| 322 | N | 39.5 | Very low | 40.8 | Very low | 95 Ų | 95 | 102.3 Ų | 102.3 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.6 | -22.3 | 179.2 | -158.5 | 69 | 0 | 0 | 0 | 112.8 | P318 A326 | P318-N322 WeakPolarHBondContact O-CB 3.44Å; P318-N322 PolarHBondContact O-N 3.37Å; P318-N322 VanDerWaalsContact O-N 3.09Å; N322-A326 VanDerWaalsContact O-CA 3.3Å; N322-A326 WeakPolarHBondContact O-CA 3.42Å; N322-A326 WeakPolarHBondContact O-CB 3.38Å; N322-A326 PolarHBondContact O-N 2.95Å |
| 323 | A | 45.4 | Very low | 40.6 | Very low | 64 Ų | 64 | 102.4 Ų | 102.4 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -74.4 | -31.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N319 L321 | N319-A323 WeakPolarHBondContact O-CB 3.3Å; N319-A323 PolarHBondContact O-N 2.84Å; L321-A323 VanDerWaalsContact C-N 3.25Å; L321-A323 PolarHBondContact O-N 3.39Å |
| 324 | Q | 38.8 | Very low | 39.9 | Very low | 140 Ų | 140 | 100 Ų | 100 | 65% | 0.654 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -75.9 | -31.4 | 175.4 | -141.8 | 170.7 | 10.7 | 0 | 0 | 111.3 | Q320 L321 | Q320-Q324 PolarHBondContact O-N 2.92Å; L321-Q324 PolarHBondContact O-N 3.15Å; L321-Q324 VanDerWaalsContact O-N 3.13Å |
| 325 | Y | 44.3 | Very low | 39.3 | Very low | 65 Ų | 65 | 103 Ų | 103 | 26% | 0.255 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -97.6 | -22.4 | -179.9 | -62.9 | -67.8 | 0 | 0 | 0 | 115.2 | L321 | L321-Y325 HydrophobicContact CD1-CE2 3.95Å; L321-Y325 HydrophobicContact CD2-CD2 4.32Å; L321-Y325 HydrophobicContact CD2-CE2 4.08Å; L321-Y325 HydrophobicContact CG-CD2 3.8Å; L321-Y325 HydrophobicContact CG-CE2 3.57Å; L321-Y325 WeakPolarHBondContact O-CD2 3.41Å; L321-Y325 PolarHBondContact O-N 3.18Å; L321-Y325 VanDerWaalsContact O-N 3.09Å |
| 326 | A | 43.5 | Very low | 38.6 | Very low | 47 Ų | 47 | 102.3 Ų | 102.3 | 39% | 0.388 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -83.6 | -11.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N322 A328 G329 | N322-A326 VanDerWaalsContact O-CA 3.3Å; N322-A326 WeakPolarHBondContact O-CA 3.42Å; N322-A326 WeakPolarHBondContact O-CB 3.38Å; N322-A326 PolarHBondContact O-N 2.95Å; A326-A328 PolarHBondContact O-N 3.31Å; A326-G329 PolarHBondContact O-N 3.34Å |
| 327 | Q | 42.4 | Very low | 37.8 | Very low | 177 Ų | 177 | 101.3 Ų | 101.3 | 83% | 0.827 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -71.3 | -17.3 | 174.5 | -134.2 | 176.7 | 31.4 | 0 | 0 | 112.4 | ||
| 328 | A | 40.9 | Very low | 37 | Very low | 26 Ų | 26 | 102 Ų | 102 | 22% | 0.215 | 59% | 0.59 | C | S | . | * | G | 310 helix | trans | -85.7 | -17.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q124 A326 | Q124-A328 HydrophobicContact CG-CB 4.07Å; Q124-A328 PolarHBondContact NE2-O 3.2Å; A326-A328 PolarHBondContact O-N 3.31Å |
| 329 | G | 35 | Very low | 36.4 | Very low | 57 Ų | 57 | 102.6 Ų | 102.6 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -97.4 | 16.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | A326 | A326-G329 PolarHBondContact O-N 3.34Š|
| 330 | N | 33.5 | Very low | 35.6 | Very low | 141 Ų | 141 | 105.8 Ų | 105.8 | 75% | 0.754 | 60% | 0.595 | S | S | * | * | trans | -122.9 | 47.7 | -170.3 | -144.3 | 43 | 0 | 0 | 0 | 114 | ||||
| 331 | I | 34.8 | Very low | 34.9 | Very low | 106 Ų | 106 | 103.8 Ų | 103.8 | 54% | 0.544 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -141.2 | 143.2 | 164.9 | -59.6 | -174.3 | 0 | 0 | 0 | 106.7 | H333 | I331-H333 PolarHBondContact O-N 2.94Š|
| 332 | P | 30.5 | Very low | 34.4 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | trans | -61.8 | 102.6 | -167.5 | -15 | 28.2 | 0 | 0 | 0 | 111 | G334 | P332-G334 PolarHBondContact O-N 3.33Å; P332-G334 VanDerWaalsContact O-N 3.17Å | ||
| 333 | H | 32.6 | Very low | 33.9 | Very low | 150 Ų | 150 | 110.3 Ų | 110.3 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | trans | -59.9 | 119.6 | 168.8 | -87.2 | -6 | 0 | 0 | 0 | 109 | I331 | I331-H333 PolarHBondContact O-N 2.94Š| ||
| 334 | G | 29.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | trans | -50.6 | 148.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P332 | P332-G334 PolarHBondContact O-N 3.33Å; P332-G334 VanDerWaalsContact O-N 3.17Å | ||
| 335 | Q | 26.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 114.2 Ų | 114.2 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | trans | -40 | 136.8 | -163.9 | -66 | -158.9 | -48.3 | 0 | 0 | 114.8 | V337 | Q335-V337 PolarHBondContact O-N 3.02Š| ||
| 336 | P | 28.6 | Very low | 32.5 | Very low | 121 Ų | 121 | 114.5 Ų | 114.5 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -60.7 | 108.7 | 165.4 | 26.3 | -31 | 0 | 0 | 0 | 107.2 | P338 | P336-P338 VanDerWaalsContact O-CD 3.26Å; P336-P338 WeakPolarHBondContact O-CD 3.37Å | ||
| 337 | V | 28.1 | Very low | 32 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | trans | -66 | 118 | 164.8 | -171.7 | 0 | 0 | 0 | 0 | 104.9 | Q335 H339 | Q335-V337 PolarHBondContact O-N 3.02Å; V337-H339 VanDerWaalsContact C-N 3.31Å; V337-H339 PolarHBondContact O-N 2.9Å; V337-H339 PolarHBondContact O-ND1 2.82Å; V337-H339 VanDerWaalsContact O-ND1 3.12Å | ||
| 338 | P | 26.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | -67.7 | 97.1 | 175.2 | 27.3 | -30.4 | 0 | 0 | 0 | 107.1 | P336 Q340 | P336-P338 VanDerWaalsContact O-CD 3.26Å; P336-P338 WeakPolarHBondContact O-CD 3.37Å; P338-Q340 VanDerWaalsContact C-N 3.33Å; P338-Q340 PolarHBondContact O-N 2.94Å | ||
| 339 | H | 32.5 | Very low | 31.3 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 50% | 0.5 | 69% | 0.694 | S | S | . | * | trans | -67.3 | 98.3 | 168.5 | -71.1 | 83.3 | 0 | 0 | 0 | 106.8 | F235 V337 Y341 | F235-H339 AromaticContact CE1-CD2 3.85Å; F235-H339 AromaticContact CE2-CD2 3.88Å; F235-H339 AromaticContact CE2-NE2 3.55Å; F235-H339 AromaticContact CZ-CD2 3.46Å; F235-H339 VanDerWaalsContact CZ-CD2 3.46Å; F235-H339 WeakPolarHBondContact CZ-CD2 3.44Å; F235-H339 AromaticContact CZ-NE2 3.64Å; V337-H339 VanDerWaalsContact C-N 3.31Å; V337-H339 PolarHBondContact O-N 2.9Å; V337-H339 PolarHBondContact O-ND1 2.82Å; V337-H339 VanDerWaalsContact O-ND1 3.12Å; H339-Y341 VanDerWaalsContact C-N 3.34Å; H339-Y341 PolarHBondContact O-N 3.13Å; H339-Y341 VanDerWaalsContact O-N 3.11Å | ||
| 340 | Q | 26.3 | Very low | 31.4 | Very low | 183 Ų | 183 | 122.7 Ų | 122.7 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -70.3 | 99.4 | 162.3 | -73.8 | -170 | -8.6 | 0 | 0 | 106.4 | P338 | P338-Q340 VanDerWaalsContact C-N 3.33Å; P338-Q340 PolarHBondContact O-N 2.94Å | ||
| 341 | Y | 30.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 44% | 0.439 | 71% | 0.709 | S | S | . | * | trans | -49 | 127.8 | 166.6 | -76.8 | -85.5 | 0 | 0 | 0 | 109.2 | H339 Q343 | H339-Y341 VanDerWaalsContact C-N 3.34Å; H339-Y341 PolarHBondContact O-N 3.13Å; H339-Y341 VanDerWaalsContact O-N 3.11Å; Y341-Q343 PolarHBondContact O-N 3.1Å | ||
| 342 | P | 32.1 | Very low | 31.4 | Very low | 81 Ų | 81 | 125.2 Ų | 125.2 | 53% | 0.526 | 72% | 0.722 | S | S | . | * | trans | -61.1 | 109.5 | 168.1 | -14.4 | 27.8 | 0 | 0 | 0 | 107.5 | H344 | P342-H344 PolarHBondContact O-N 3.11Š| ||
| 343 | Q | 29.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -47.1 | 114.1 | 166.2 | -73.2 | -95.3 | 16.7 | 0 | 0 | 108.5 | Y341 | Y341-Q343 PolarHBondContact O-N 3.1Š| ||
| 344 | H | 35.5 | Very low | 31.9 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -51.6 | 137.6 | 175.8 | -65.8 | -92 | 0 | 0 | 0 | 109.7 | P342 G346 | P342-H344 PolarHBondContact O-N 3.11Å; H344-G346 PolarHBondContact O-N 3.1Å | ||
| 345 | P | 31.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -63.3 | 111.4 | 176.7 | -14.7 | 27.7 | 0 | 0 | 0 | 109 | V347 | P345-V347 PolarHBondContact O-N 3.46Š| ||
| 346 | G | 31.5 | Very low | 32.8 | Very low | 71 Ų | 71 | 119.4 Ų | 119.4 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | -52.2 | 125.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H344 | H344-G346 PolarHBondContact O-N 3.1Š| ||
| 347 | V | 34 | Very low | 33.4 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -54.6 | 125.5 | 171.3 | -151.2 | 0 | 0 | 0 | 0 | 108.4 | P345 T349 | P345-V347 PolarHBondContact O-N 3.46Å; V347-T349 PolarHBondContact O-N 3.27Å | ||
| 348 | P | 31.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | trans | -73.1 | 102.6 | -178.4 | 27.7 | -31.3 | 0 | 0 | 0 | 109.6 | ||||
| 349 | T | 35.7 | Very low | 34.2 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -69.8 | 131.2 | 170.7 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | V347 N351 | V347-T349 PolarHBondContact O-N 3.27Å; T349-N351 PolarHBondContact O-N 3.01Å | ||
| 350 | P | 37.2 | Very low | 34.5 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -68.1 | 129.7 | 176.4 | -14.9 | 28.4 | 0 | 0 | 0 | 111.9 | V352 | P350-V352 PolarHBondContact O-N 3.07Š| ||
| 351 | N | 30.4 | Very low | 35 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -58.5 | 114.2 | 173.9 | -164.6 | 29 | 0 | 0 | 0 | 111.3 | T349 | T349-N351 PolarHBondContact O-N 3.01Š| ||
| 352 | V | 39.1 | Very low | 35.6 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 126 | 165.8 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | P350 | P350-V352 PolarHBondContact O-N 3.07Š| ||
| 353 | A | 36.8 | Very low | 36.1 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -62.5 | 156.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 354 | P | 35.4 | Very low | 36.2 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -87.5 | 136.2 | -175.8 | 34.6 | -31.1 | 0 | 0 | 0 | 111.7 | ||||
| 355 | G | 39.3 | Very low | 36.5 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -154.4 | 92.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 356 | G | 36.8 | Very low | 36.8 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 89.9 | 118.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 357 | Q | 39.9 | Very low | 37 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 89.9 | 102.4 | 148.2 | -50.9 | -135 | -21.2 | 0 | 0 | 117.1 | ||||
| 358 | Q | 34.8 | Very low | 37.3 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | 79.3 | 134.6 | 66.3 | -83.9 | -164.6 | -14.1 | 0 | 0 | 116.3 | |||||
| 359 | Y | 37.5 | Very low | 37.3 | Very low | 229 Ų | 229 | 130.3 Ų | 130.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 94.3 | 118.7 | 173.7 | -72.7 | -87.6 | 0 | 0 | 0 | 117.2 | ||||
| 360 | G | 38.2 | Very low | 37.1 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | cis | 173.8 | 153.3 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 361 | G | 36.4 | Very low | 36.9 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 69.1 | 137.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 362 | V | 44.4 | Very low | 36.9 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | cis | -170.5 | 175.2 | 24.3 | -158.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 363 | P | 41.8 | Very low | 36.6 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | -110.5 | 157 | -78.9 | 35.3 | -19.2 | 0 | 0 | 0 | 116.5 | |||||
| 364 | E | 31.6 | Very low | 36.4 | Very low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | trans | -3.7 | 126.4 | 150.3 | -88.7 | 147.5 | 90.8 | 0 | 0 | 120.7 | H366 | E364-H366 IonicContact OE1-CE1 3.39Å; E364-H366 PolarHBondContact OE1-CE1 3.23Å; E364-H366 IonicContact OE1-ND1 3.7Å | ||
| 365 | H | 41.6 | Very low | 36.3 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 94% | 0.944 | 80% | 0.804 | S | S | * | * | trans | -132.4 | 130.6 | 132.7 | -98.6 | -77 | 0 | 0 | 0 | 110.4 | ||||
| 366 | H | 38.4 | Very low | 36.2 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | -88.7 | 141.1 | -172.3 | -81.6 | 86.7 | 0 | 0 | 0 | 113.5 | E364 | E364-H366 IonicContact OE1-CE1 3.39Å; E364-H366 PolarHBondContact OE1-CE1 3.23Å; E364-H366 IonicContact OE1-ND1 3.7Å | ||
| 367 | M | 35.9 | Very low | 36 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | 65.4 | 164.8 | 141.9 | -81.1 | -158.1 | 174 | 0 | 0 | 120.8 | ||||
| 368 | P | 41.5 | Very low | 35.9 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -125.1 | 165.7 | -18 | 24.3 | -1.6 | 0 | 0 | 0 | 111 | ||||
| 369 | G | 30.9 | Very low | 36 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | 89.2 | 84.8 | 43.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 370 | G | 30.4 | Very low | 35.6 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | 61.9 | 120.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 371 | G | 33.6 | Very low | 35.5 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -156.7 | 92.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F373 | G371-F373 PolarHBondContact O-N 3.09Š| ||
| 372 | Q | 30 | Very low | 35.5 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -60.2 | 126.1 | 163.5 | -69.5 | 178.2 | -48.3 | 0 | 0 | 109.4 | ||||
| 373 | F | 33.2 | Very low | 35.4 | Very low | 210 Ų | 210 | 144 Ų | 144 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -94.2 | 100 | 162.9 | -90.9 | -88 | 0 | 0 | 0 | 109.7 | G371 | G371-F373 PolarHBondContact O-N 3.09Š| ||
| 374 | Q | 33.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 140.8 | 172.3 | -147.4 | 170.2 | 24.5 | 0 | 0 | 109.3 | ||||
| 375 | Q | 31.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -43.5 | 139 | 166.7 | -72.8 | 174.6 | 22.3 | 0 | 0 | 111.9 | ||||
| 376 | Q | 37 | Very low | 35.3 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -129.9 | 95.6 | 154.6 | -142.8 | 168.1 | 64.7 | 0 | 0 | 109.2 | ||||
| 377 | Q | 33.1 | Very low | 35.4 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 127.7 | 152.8 | -70.6 | -177.6 | 36.5 | 0 | 0 | 107.8 | ||||
| 378 | Q | 38.9 | Very low | 35.6 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -137.8 | 109.5 | 157.1 | -97.1 | -175.6 | -2.9 | 0 | 0 | 111.2 | ||||
| 379 | F | 35.1 | Very low | 35.6 | Very low | 202 Ų | 202 | 140 Ų | 140 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | 55.5 | 98.1 | 129.2 | -85.6 | -96.2 | 0 | 0 | 0 | 119.6 | |||||
| 380 | G | 30.8 | Very low | 36 | Very low | 84 Ų | 84 | 142.7 Ų | 142.7 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | 67.2 | 105.7 | 102.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 381 | G | 35 | Very low | 36.7 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | 176.3 | 81.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 382 | Q | 36.7 | Very low | 36.8 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -64 | 146.3 | 152.4 | -90.4 | -164.4 | -29.7 | 0 | 0 | 108.8 | ||||
| 383 | P | 43.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | -141.6 | 135.7 | 110.5 | 29.4 | -11.9 | 0 | 0 | 0 | 114.9 | |||||
| 384 | Q | 34.1 | Very low | 37.2 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 18.6 | 150.2 | 144.6 | -83.5 | -157.4 | -45 | 0 | 0 | 124.2 | ||||
| 385 | P | 40.1 | Very low | 37.4 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -82.2 | 147.4 | 177.5 | 36.6 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 386 | V | 38.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -137.5 | 140.4 | 162.1 | -91.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | P | 40.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | trans | -99.7 | -165.7 | -170.4 | 33.7 | -18.6 | 0 | 0 | 0 | 112.1 | ||||
| 388 | H | 40.8 | Very low | 37.5 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | trans | 107.4 | 155.8 | 165.4 | -52.6 | 95.2 | 0 | 0 | 0 | 115.5 | ||||
| 389 | P | 41.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | -137.7 | 169.1 | -72.2 | 36.9 | -17.1 | 0 | 0 | 0 | 114.4 | |||||
| 390 | V | 39.6 | Very low | 37 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | trans | -6.6 | 155.9 | 157.9 | -91.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 391 | P | 43.4 | Very low | 37.4 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | -149.6 | 140.6 | 51.5 | 37.7 | -14.6 | 0 | 0 | 0 | 121.4 | |||||
| 392 | Q | 36.3 | Very low | 37.2 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | 40.4 | 110.2 | 120.1 | -156.9 | 175.1 | 17 | 0 | 0 | 121.6 | |||||
| 393 | A | 40.2 | Very low | 37.2 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | trans | -170.9 | 131.7 | 130.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 394 | G | 32.6 | Very low | 36.8 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | cis | 143.3 | 112.1 | 17 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 395 | G | 37.7 | Very low | 36.7 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 160 | 84.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 396 | Q | 31.5 | Very low | 36.6 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -60.6 | 145.8 | 169.6 | -65.7 | 162.6 | -63.8 | 0 | 0 | 111.1 | ||||
| 397 | Y | 36.3 | Very low | 36.3 | Very low | 239 Ų | 239 | 135.4 Ų | 135.4 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | -164.4 | 148.3 | 124.8 | -86.9 | -65.2 | 0 | 0 | 0 | 110.9 | |||||
| 398 | K | 34.7 | Very low | 36 | Very low | 211 Ų | 211 | 135.9 Ų | 135.9 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -84.6 | 149.9 | -163.4 | -76.7 | 169.4 | 160.4 | 176.8 | 0 | 113.6 | ||||
| 399 | G | 32.2 | Very low | 35.6 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | 123.8 | 103.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 400 | S | 31.7 | Very low | 35.2 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -143.6 | 138.8 | 158.4 | -81.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 401 | P | 40 | Very low | 34.7 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -98.8 | 115.5 | 157.9 | 28.9 | -15.5 | 0 | 0 | 0 | 110.5 | ||||
| 402 | N | 30.8 | Very low | 34 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | 28.8 | 113.3 | 134.7 | -129.4 | 20.8 | 0 | 0 | 0 | 118.8 | ||||
| 403 | I | 36.3 | Very low | 33.6 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -128.9 | 132.9 | 154.1 | -56.6 | 179.5 | 0 | 0 | 0 | 107.3 | ||||
| 404 | P | 35.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 136.6 | -173.1 | 7.9 | 8.1 | 0 | 0 | 0 | 112 | Q406 | P404-Q406 PolarHBondContact O-N 3.39Š|
| 405 | S | 31.2 | Very low | 33.1 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 124.6 | 172.8 | -35.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 406 | Q | 37.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 146.9 | 162.8 | -85.6 | -170.2 | -6.1 | 0 | 0 | 110.5 | P404 | P404-Q406 PolarHBondContact O-N 3.39Š|
| 407 | P | 33.3 | Very low | 32.7 | Very low | 90 Ų | 90 | 152.4 Ų | 152.4 | 58% | 0.584 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 156.2 | -177 | 33.1 | -33.3 | 0 | 0 | 0 | 111.4 | Y409 | P407-Y409 PolarHBondContact O-N 3.05Š|
| 408 | P | 33.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 121.8 | 174.1 | 28.3 | -30.6 | 0 | 0 | 0 | 109.6 | H410 | P408-H410 PolarHBondContact O-N 3.07Š|
| 409 | Y | 32.3 | Very low | 32.3 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -77.8 | 107.2 | 167.3 | -80 | -89.5 | 0 | 0 | 0 | 108.2 | P407 | P407-Y409 PolarHBondContact O-N 3.05Š| ||
| 410 | H | 31.2 | Very low | 32.5 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -80.6 | 108.4 | 158.5 | -74.8 | -86.7 | 0 | 0 | 0 | 106.9 | P408 A412 | P408-H410 PolarHBondContact O-N 3.07Å; H410-A412 PolarHBondContact O-N 3.4Å | ||
| 411 | D | 30 | Very low | 32.5 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 106.9 | 165.8 | -144.6 | -46.9 | 0 | 0 | 0 | 107.7 | T413 | D411-T413 PolarHBondContact OD1-OG1 2.93Š| ||
| 412 | A | 28.1 | Very low | 32.3 | Very low | 91 Ų | 91 | 149.9 Ų | 149.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 69.1 | -179 | 0 | 0 | 0 | 0 | 0 | 107.5 | H410 | H410-A412 PolarHBondContact O-N 3.4Š| ||
| 413 | T | 28.9 | Very low | 32.7 | Very low | 107 Ų | 107 | 147 Ų | 147 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | trans | -139.7 | 107.7 | 169.2 | 52.2 | 0 | 0 | 0 | 0 | 107.8 | D411 | D411-T413 PolarHBondContact OD1-OG1 2.93Š| ||
| 414 | Y | 30.8 | Very low | 32.5 | Very low | 206 Ų | 206 | 148 Ų | 148 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 133.7 | 55.8 | 172.6 | -78.1 | -73.7 | 0 | 0 | 0 | 112.1 | ||
| 415 | Q | 32.1 | Very low | 32.8 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -150.9 | 21.5 | 169.6 | -98.5 | -73.8 | -38.4 | 0 | 0 | 112.8 | ||||
| 416 | Q | 29.5 | Very low | 33 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -122.4 | 54.8 | -172 | -156 | -177.9 | -69.9 | 0 | 0 | 114.3 | ||||
| 417 | Y | 31.1 | Very low | 33.1 | Very low | 229 Ų | 229 | 154 Ų | 154 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -147 | 42 | 160.7 | -82 | -73.6 | 0 | 0 | 0 | 113.6 | ||
| 418 | Q | 32.5 | Very low | 33.4 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -148.7 | 83 | 158.4 | -75.6 | -160 | 64.1 | 0 | 0 | 109.7 | ||||
| 419 | Q | 29.2 | Very low | 33.3 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -166.2 | 68.7 | 161.6 | -109.1 | 171.5 | 93.5 | 0 | 0 | 109.5 | A421 | Q419-A421 PolarHBondContact O-N 3.49Š| ||
| 420 | A | 36 | Very low | 33.8 | Very low | 96 Ų | 96 | 155.7 Ų | 155.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -85.7 | 99.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | V422 | A420-V422 PolarHBondContact O-N 3.2Š| ||
| 421 | A | 31.9 | Very low | 34 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -59.7 | 112.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q419 | Q419-A421 PolarHBondContact O-N 3.49Š| ||
| 422 | V | 36.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 120.5 | 168.2 | -165.7 | 0 | 0 | 0 | 0 | 107.7 | A420 Q424 | A420-V422 PolarHBondContact O-N 3.2Å; V422-Q424 PolarHBondContact O-N 3.47Å |
| 423 | P | 39.6 | Very low | 35 | Very low | 106 Ų | 106 | 155.4 Ų | 155.4 | 69% | 0.688 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 116.7 | 179.7 | 27.6 | -31.8 | 0 | 0 | 0 | 110.2 | H425 | P423-H425 PolarHBondContact O-N 3.23Š|
| 424 | Q | 31.7 | Very low | 35.4 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 117.2 | 164.7 | -92.3 | -163.7 | -15.3 | 0 | 0 | 109.5 | V422 | V422-Q424 PolarHBondContact O-N 3.47Š|
| 425 | H | 41.5 | Very low | 35.9 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 84% | 0.838 | 83% | 0.834 | S | S | * | * | trans | -118.9 | 112.5 | 154.8 | -85.2 | 52.5 | 0 | 0 | 0 | 108.1 | P423 | P423-H425 PolarHBondContact O-N 3.23Š| ||
| 426 | Q | 34 | Very low | 36.2 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -69.1 | 133.8 | 170.1 | -64.1 | 171.7 | 23.4 | 0 | 0 | 108.9 | ||||
| 427 | M | 40.7 | Very low | 36.5 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -152.8 | 147.4 | 152.8 | -96 | -100.6 | -86.3 | 0 | 0 | 110.1 | ||||
| 428 | P | 38.8 | Very low | 36.8 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -88.6 | 155.4 | -155.6 | 34.2 | -34.2 | 0 | 0 | 0 | 114.6 | ||||
| 429 | V | 33.4 | Very low | 36.9 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -67.4 | 135.8 | -180 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 430 | Q | 41.6 | Very low | 37.5 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -134.5 | 138.7 | 147.7 | -88.5 | -160.9 | 18.2 | 0 | 0 | 110.5 | ||||
| 431 | P | 36.7 | Very low | 37.7 | Very low | 121 Ų | 121 | 154.3 Ų | 154.3 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -101.1 | 148.8 | -174.7 | 37 | -30.3 | 0 | 0 | 0 | 113.4 | ||||
| 432 | G | 36.6 | Very low | 38.5 | Very low | 73 Ų | 73 | 154.4 Ų | 154.4 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 126.6 | 104.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 433 | Q | 42.7 | Very low | 39 | Very low | 196 Ų | 196 | 154.2 Ų | 154.2 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | 155.2 | 138.5 | 110.2 | -86.3 | -162.9 | -31 | 0 | 0 | 111.4 | |||||
| 434 | P | 35.5 | Very low | 39 | Very low | 126 Ų | 126 | 157.3 Ų | 157.3 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -93.9 | 142.8 | -177.4 | 36 | -30 | 0 | 0 | 0 | 111.8 | ||||
| 435 | Q | 42.5 | Very low | 39.4 | Very low | 202 Ų | 202 | 157 Ų | 157 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | trans | -135.4 | 138.1 | 161 | -102.1 | -179.3 | 1.8 | 0 | 0 | 111.6 | ||||
| 436 | Q | 37.4 | Very low | 39.4 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -82.9 | 163.1 | -168.4 | -68 | 172.7 | -42.9 | 0 | 0 | 114.2 | ||||
| 437 | A | 37 | Very low | 39.7 | Very low | 95 Ų | 95 | 151.9 Ų | 151.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 72.8 | 140.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 438 | Q | 35.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 150.4 Ų | 150.4 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | -167.2 | 138.7 | 42.7 | -172 | 175.7 | -34.8 | 0 | 0 | 110.2 | ||||
| 439 | Y | 34.7 | Very low | 40.3 | Very low | 223 Ų | 223 | 149.2 Ų | 149.2 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 146.6 | 170.5 | -81.8 | -100 | 0 | 0 | 0 | 112.4 | ||||
| 440 | Q | 42.4 | Very low | 40.8 | Very low | 182 Ų | 182 | 152 Ų | 152 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 126.3 | 152.2 | -106.1 | 176.7 | 91.4 | 0 | 0 | 111.2 | ||||
| 441 | Q | 41.5 | Very low | 40.8 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -109.5 | 168 | 168.9 | -96.4 | -104.8 | -14 | 0 | 0 | 108 | ||||
| 442 | P | 47.8 | Very low | 41.2 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -97.5 | -173.6 | -141.7 | 40.4 | -38.4 | 0 | 0 | 0 | 113.7 | ||||
| 443 | P | 47.4 | Very low | 41.5 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -135.5 | 150.1 | 150.6 | 33.1 | -16.2 | 0 | 0 | 0 | 115.8 | ||||
| 444 | Q | 39 | Very low | 41.5 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 166.8 | 170.9 | -68.3 | 175.6 | -8.6 | 0 | 0 | 113.9 | ||||
| 445 | Q | 41.4 | Very low | 42 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 77% | 0.771 | 82% | 0.818 | S | S | * | * | trans | 126.6 | 101.3 | 134.6 | -65.8 | -159.5 | 4.9 | 0 | 0 | 115.5 | ||||
| 446 | V | 40.3 | Very low | 42.3 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | 86.8 | 129 | 91.1 | -148.6 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 447 | V | 40.5 | Very low | 42.8 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | trans | 117.3 | 101.1 | 141.1 | -171.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 448 | N | 42.3 | Very low | 43.2 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 90.1 | 148.1 | 134.9 | -83 | 9.6 | 0 | 0 | 0 | 125.5 | ||||
| 449 | P | 49.3 | Very low | 44.2 | Very low | 93 Ų | 93 | 149.7 Ų | 149.7 | 60% | 0.604 | 81% | 0.811 | S | S | * | * | trans | -122 | 164.1 | -150.3 | 40.7 | -25 | 0 | 0 | 0 | 114.6 | ||||
| 450 | H | 44.4 | Very low | 44.6 | Very low | 192 Ų | 192 | 148.3 Ų | 148.3 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | trans | 165.7 | 137.7 | 134 | -97.3 | 76.4 | 0 | 0 | 0 | 111 | ||||
| 451 | G | 41.1 | Very low | 44.9 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 123.4 | 87.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 452 | Q | 45.7 | Very low | 45.1 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 27.9 | 154 | 144.1 | -82.6 | -174.6 | -25.5 | 0 | 0 | 125.1 | ||||
| 453 | P | 41.9 | Very low | 44.9 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -102 | 157.8 | -162.1 | 39.9 | -31.6 | 0 | 0 | 0 | 115.2 | ||||
| 454 | Q | 43.8 | Very low | 44.9 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -138.4 | 140.4 | 166.1 | -101.6 | 179.7 | -14.7 | 0 | 0 | 111.7 | ||||
| 455 | M | 46 | Very low | 45.1 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 93% | 0.931 | 82% | 0.82 | S | S | * | * | trans | -86.4 | 164.7 | -177.6 | -70.6 | -179.4 | -173.2 | 0 | 0 | 114.3 | ||||
| 456 | A | 49.2 | Very low | 45.1 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | 90.4 | 163.9 | 148 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 457 | P | 47.6 | Very low | 45.2 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | cis | -136.3 | 175.4 | -11.8 | 20.7 | 5 | 0 | 0 | 0 | 115.9 | ||||
| 458 | Q | 44.2 | Very low | 45.2 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -69.9 | 164.3 | 165.6 | -83.4 | -167.9 | -28.8 | 0 | 0 | 114.3 | ||||
| 459 | P | 58.5 | Low | 45.2 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -109.3 | 141.1 | 159.8 | 33 | -20.7 | 0 | 0 | 0 | 114.9 | ||||
| 460 | Q | 42.1 | Very low | 44.7 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | trans | -98 | 152.2 | 169.7 | -73.1 | 170.4 | -20.3 | 0 | 0 | 111.9 | ||||
| 461 | A | 49.6 | Very low | 44.4 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -159.7 | 153.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 462 | M | 44.4 | Very low | 44.4 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 93% | 0.926 | 84% | 0.836 | S | S | * | * | cis | -165.3 | 147.2 | -33.5 | -145 | -174.8 | -73 | 0 | 0 | 104 | ||||
| 463 | A | 44 | Very low | 43.9 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | -93.3 | 159.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 464 | V | 46.9 | Very low | 43.8 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -157.7 | 135.9 | 137.9 | -171.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 465 | P | 44.3 | Very low | 43.6 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -114.7 | 166.4 | -178 | 40.1 | -29.6 | 0 | 0 | 0 | 115.5 | ||||
| 466 | G | 41.5 | Very low | 43.4 | Very low | 73 Ų | 73 | 142.5 Ų | 142.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 152.8 | 111.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 467 | Q | 41.8 | Very low | 42.9 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | 58.7 | 117 | 144.2 | -70 | -169.6 | -15.3 | 0 | 0 | 121.9 | ||||
| 468 | Q | 41.4 | Very low | 42.3 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | 69.5 | 107.6 | 79.4 | -79.1 | -169.5 | 2.3 | 0 | 0 | 116.1 | |||||
| 469 | Q | 41.6 | Very low | 42.2 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | 165.9 | 128.1 | 107 | -106 | -176.7 | 0.5 | 0 | 0 | 113.7 | |||||
| 470 | A | 39.7 | Very low | 41.2 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | 37.3 | 129.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 471 | G | 36.9 | Very low | 41 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | 129 | 111.3 | 117.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 472 | Q | 40.7 | Very low | 40.4 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 89.5 | 111.9 | 143.4 | -61.1 | -160.6 | 4.3 | 0 | 0 | 123.2 | ||||
| 473 | F | 36.4 | Very low | 40.1 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | 41.5 | 120.2 | 125.8 | -69.3 | -86.2 | 0 | 0 | 0 | 121.7 | |||||
| 474 | Q | 40.4 | Very low | 39.7 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | 177.4 | 118.1 | 98.9 | -111.9 | 168.9 | -25.7 | 0 | 0 | 113.6 | |||||
| 475 | Q | 39.2 | Very low | 39.4 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 65% | 0.645 | 81% | 0.812 | S | S | * | * | 34 | 115.5 | 129.1 | -126.3 | 177.3 | -7 | 0 | 0 | 121.1 | |||||
| 476 | Y | 41.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | 164.5 | 137.7 | 93.1 | -101.5 | -69.7 | 0 | 0 | 0 | 113.7 | |||||
| 477 | Q | 38.3 | Very low | 38.8 | Very low | 178 Ų | 178 | 146.5 Ų | 146.5 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 67 | 107.6 | 146.2 | -86.2 | 168.7 | 65.4 | 0 | 0 | 121.9 | ||||
| 478 | G | 36.1 | Very low | 38.5 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | 107.6 | 98.7 | 110.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 479 | A | 41.2 | Very low | 38.4 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 145.9 | 122.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 480 | V | 37.8 | Very low | 38.1 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | trans | -69.6 | 143 | 179.4 | -80.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 481 | P | 38.4 | Very low | 37.9 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | -140.4 | 162.1 | 113.3 | 32.7 | -15.8 | 0 | 0 | 0 | 114.8 | |||||
| 482 | T | 35.8 | Very low | 37.9 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | -48.3 | 139.1 | -177.3 | 50.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 483 | Q | 37.9 | Very low | 37.6 | Very low | 186 Ų | 186 | 149 Ų | 149 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -128.8 | 130.5 | 174.1 | -158.5 | 175.6 | 20 | 0 | 0 | 112 | ||||
| 484 | N | 36.3 | Very low | 37.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -42.6 | 147.5 | 163.7 | -89.8 | -18.2 | 0 | 0 | 0 | 114.2 | ||||
| 485 | V | 40.4 | Very low | 37.6 | Very low | 139 Ų | 139 | 147 Ų | 147 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -141.5 | 123.2 | 154.1 | -119 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 486 | P | 34.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -89.3 | 143.4 | 162.6 | 34.7 | -26.8 | 0 | 0 | 0 | 108.7 | ||||
| 487 | N | 38 | Very low | 37.7 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -145.6 | 115.9 | 165.9 | -137.1 | 26.1 | 0 | 0 | 0 | 112.3 | ||||
| 488 | S | 36.6 | Very low | 37.8 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | trans | -79.4 | 139 | 166.2 | 22.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 489 | V | 38.2 | Very low | 38.4 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | trans | -114.1 | 119.1 | 175.9 | -166 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 490 | H | 35.5 | Very low | 38.3 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -91.8 | 130.2 | 176.4 | -139.6 | 95.8 | 0 | 0 | 0 | 108.6 | ||||
| 491 | Y | 35.2 | Very low | 38.5 | Very low | 229 Ų | 229 | 148.8 Ų | 148.8 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -79.5 | 130.2 | 169.3 | -82.8 | -91.6 | 0 | 0 | 0 | 110.2 | ||||
| 492 | Q | 37.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 146.9 Ų | 146.9 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -141.4 | 111.7 | 164.4 | -139.7 | 176.4 | 18.2 | 0 | 0 | 110.5 | ||||
| 493 | A | 34.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 137.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 494 | N | 38.2 | Very low | 39.4 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -144.4 | 137 | 158.8 | -138.1 | 9.4 | 0 | 0 | 0 | 113 | ||||
| 495 | Q | 38.9 | Very low | 39.6 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | trans | -91.2 | 160.3 | -174.6 | -112.6 | -169 | 83 | 0 | 0 | 111.5 | ||||
| 496 | Q | 40.1 | Very low | 39.7 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | 75.4 | 119.5 | 152.8 | -68.2 | 165.4 | 23.9 | 0 | 0 | 119.2 | ||||
| 497 | Q | 41.8 | Very low | 40.2 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | 179.5 | 133.6 | 102.2 | -91.7 | 169.7 | 28 | 0 | 0 | 111.3 | |||||
| 498 | A | 40.4 | Very low | 40.5 | Very low | 91 Ų | 91 | 141 Ų | 141 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -102.5 | 163 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 499 | P | 49.4 | Very low | 40.8 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -153.8 | 147.3 | 84.5 | 35.1 | -13.8 | 0 | 0 | 0 | 118 | |||||
| 500 | N | 38.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 53 | 121.3 | 124.3 | -143.4 | 18 | 0 | 0 | 0 | 122.1 | |||||
| 501 | V | 42.8 | Very low | 41.3 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | -170.4 | 117.4 | 121.6 | -98.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 502 | A | 42.5 | Very low | 42.1 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | 66.7 | 125.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 503 | Q | 43.6 | Very low | 42.3 | Very low | 169 Ų | 169 | 132.2 Ų | 132.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 72.9 | 134.7 | 135.9 | -82.5 | -173.7 | 12 | 0 | 0 | 118.3 | ||||
| 504 | Q | 43.8 | Very low | 43.1 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | cis | -166.1 | 156.9 | 25 | -101.8 | 158.3 | 33.1 | 0 | 0 | 108.3 | ||||
| 505 | G | 41.1 | Very low | 43.5 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 138.3 | 87.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 506 | A | 43.1 | Very low | 43.7 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 168.4 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 507 | A | 43.1 | Very low | 43.8 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | cis | -173.2 | 176.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 508 | H | 45.8 | Very low | 44.2 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | 91.1 | 104 | 161.7 | -58.2 | -69.4 | 0 | 0 | 0 | 117 | ||||
| 509 | M | 42.9 | Very low | 44.2 | Very low | 188 Ų | 188 | 132.2 Ų | 132.2 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | 87.4 | 122.9 | 71.5 | -91.2 | -162.1 | 173.3 | 0 | 0 | 114.2 | |||||
| 510 | G | 39.9 | Very low | 44.1 | Very low | 71 Ų | 71 | 133 Ų | 133 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 133.9 | 98.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 511 | N | 43.3 | Very low | 44.3 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | 63.9 | 128.6 | 95.7 | -105.1 | 20.4 | 0 | 0 | 0 | 112.5 | |||||
| 512 | V | 51.8 | Low | 44.2 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | cis | -169.6 | 156.1 | 39.5 | -163.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 513 | P | 43.7 | Very low | 44.2 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -107.7 | -158.9 | 173.4 | 44.6 | -34.5 | 0 | 0 | 0 | 112.9 | ||||
| 514 | P | 49.2 | Very low | 44 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -112.7 | 172.9 | -111.5 | 31.5 | -9.5 | 0 | 0 | 0 | 116 | |||||
| 515 | V | 47.2 | Very low | 43.9 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | trans | -138.8 | 108.7 | 178 | -180 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 516 | Q | 43.5 | Very low | 44 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 61.6 | 109.7 | 94.1 | -73.3 | -174.6 | 0.3 | 0 | 0 | 117.7 | |||||
| 517 | N | 41.1 | Very low | 44 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | 41.5 | 177.3 | 120.7 | -107.9 | 18.3 | 0 | 0 | 0 | 121.2 | |||||
| 518 | P | 50.4 | Low | 43.8 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 57% | 0.571 | 79% | 0.792 | S | S | * | * | cis | -142 | 177 | -23 | 32.4 | -11.4 | 0 | 0 | 0 | 115.8 | ||||
| 519 | Q | 40.3 | Very low | 43.8 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 51.7 | 145.3 | 142 | -70.5 | 170.4 | -44.9 | 0 | 0 | 120.6 | ||||
| 520 | V | 47.4 | Very low | 43.5 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -176.3 | 172.2 | 75.1 | -106 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 521 | P | 43.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -135.5 | -170.4 | -142.8 | 47.6 | -29.7 | 0 | 0 | 0 | 118.2 | ||||
| 522 | V | 41.5 | Very low | 43.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 69.5 | 125 | 153.1 | -176.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 523 | Q | 41.7 | Very low | 43 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | 168.7 | 118.1 | 128.2 | -100 | -178.1 | -15.6 | 0 | 0 | 109.7 | |||||
| 524 | N | 39.8 | Very low | 42.8 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | 86.8 | 113.8 | 55.6 | -149 | 30.5 | 0 | 0 | 0 | 115.4 | |||||
| 525 | Q | 42.3 | Very low | 42.4 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 165.6 | 100.8 | 149.3 | -96.6 | 177.3 | 103.1 | 0 | 0 | 109.8 | ||||
| 526 | Q | 41.5 | Very low | 43.1 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | 52.1 | 110.9 | 88.8 | -78.9 | -172.5 | 15.4 | 0 | 0 | 117 | |||||
| 527 | Q | 43.2 | Very low | 43.2 | Very low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | -169.5 | 144.9 | 116.8 | -104.8 | 154.3 | 28.3 | 0 | 0 | 114 | |||||
| 528 | Q | 40.1 | Very low | 43.2 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -91.4 | 155.4 | -171.3 | -57.5 | 162.7 | 7.3 | 0 | 0 | 110.9 | ||||
| 529 | V | 44.2 | Very low | 42.8 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | -178 | 147.9 | 110.4 | -90.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 530 | P | 38.2 | Very low | 42.8 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -109.6 | 157.8 | -174 | 39.9 | -29.7 | 0 | 0 | 0 | 113.9 | ||||
| 531 | V | 44.9 | Very low | 43 | Very low | 143 Ų | 143 | 140 Ų | 140 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -147.3 | 108 | 164.6 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 532 | Q | 36.6 | Very low | 43.1 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | trans | -51.8 | 156.8 | 152.7 | -82.1 | 170.3 | -31.7 | 0 | 0 | 111.4 | ||||
| 533 | I | 42.4 | Very low | 43.2 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | -173 | 110.7 | 112.8 | -47.7 | -161.4 | 0 | 0 | 0 | 111.7 | |||||
| 534 | Q | 40.5 | Very low | 43.3 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | trans | 46.9 | 143.7 | 139.5 | -53.8 | 171.8 | 28.1 | 0 | 0 | 125.6 | ||||
| 535 | P | 40.5 | Very low | 43.5 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 164.7 | 161 | 39.4 | -30.9 | 0 | 0 | 0 | 112.1 | ||
| 536 | P | 61.7 | Low | 43.5 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 125.7 | 161.7 | 33 | -24.4 | 0 | 0 | 0 | 112 | ||
| 537 | A | 44.5 | Very low | 43.7 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 87% | 0.868 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 161.9 | 162 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 538 | G | 42.5 | Very low | 43.7 | Very low | 68 Ų | 68 | 141.3 Ų | 141.3 | 70% | 0.701 | 84% | 0.841 | S | S | * | * | trans | 121.6 | 133.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 539 | V | 41.7 | Very low | 43.9 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | cis | -167 | 146.5 | 9.3 | -156.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 540 | P | 39.9 | Very low | 43.9 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 84% | 0.843 | S | S | * | * | trans | -91.9 | 148.4 | 171.7 | 35.1 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 541 | A | 50.6 | Low | 44.4 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | trans | 173.1 | 97.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 542 | M | 47 | Very low | 44.4 | Very low | 269 Ų | 269 | 140.5 Ų | 140.5 | 100% | 1.325 | 85% | 0.849 | S | S | * | * | -173.1 | 0 | 122.2 | -98.6 | -164.1 | 174.7 | 0 | 0 | 109.9 |
Retrieved 542 of 542 residues in 533.1 ms
(Link to these results)