| 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 | 42.1 | Very low | 85.3 | Confident | 243 Ų | 243 | 80.5 Ų | 80.5 | 100% | 1.197 | 47% | 0.471 | S | S | * | . | 0 | 102.2 | 0 | -61.2 | 179 | -156.1 | 0 | 0 | 106.6 | G3 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.09Å; M1-G3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | S | 52.1 | Low | 86.4 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 89% | 0.888 | 45% | 0.451 | S | S | * | . | trans | -74.9 | 96 | 171.5 | 57.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | G | 72.6 | Confident | 87.3 | Confident | 60 Ų | 60 | 79 Ų | 79 | 62% | 0.619 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 143.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M1 R5 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.09Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-R5 PolarHBondContact O-N 3.18Å |
| 4 | Q | 87.4 | Confident | 88 | Confident | 173 Ų | 173 | 77.2 Ų | 77.2 | 81% | 0.808 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 129.8 | 170.6 | -177.7 | 178.1 | 4.2 | 0 | 0 | 109.4 | V6 | Q4-V6 HydrophobicContact CB-CG1 4.45Å; Q4-V6 HydrophobicContact CG-CG1 4.07Å; Q4-V6 PolarHBondContact O-N 2.9Å |
| 5 | R | 95.7 | Very high | 88.7 | Confident | 40 Ų | 40 | 72.1 Ų | 72.1 | 15% | 0.151 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 119.8 | 173.1 | -62.6 | 173.6 | -68.7 | -116.4 | 0 | 108.6 | G3 D10 Y11 E14 E335 | G3-R5 PolarHBondContact O-N 3.18Å; R5-D10 HydrophobicContact CB-CB 4.15Å; R5-D10 HydrophobicContact CG-CB 4.22Å; R5-Y11 HydrophobicContact CB-CD2 4.07Å; R5-Y11 HydrophobicContact CB-CE2 3.62Å; R5-Y11 VanDerWaalsContact CD-CE1 3.44Å; R5-Y11 HydrophobicContact CG-CD2 4.47Å; R5-Y11 HydrophobicContact CG-CE2 4.33Å; R5-Y11 VanDerWaalsContact NE-CE1 3.32Å; R5-E14 WeakPolarHBondContact CD-OE2 3.47Å; R5-E14 IonicContact NH1-OE1 2.68Å; R5-E14 PolarHBondContact NH1-OE1 3.13Å; R5-E14 IonicContact NH1-OE2 3.69Å; R5-E14 PolarHBondContact NH1-OE2 3.02Å; R5-E335 IonicContact CZ-OE2 3.73Å; R5-E335 IonicContact NE-OE2 3.21Å; R5-E335 IonicContact NH2-OE2 3.59Å; R5-E335 PolarHBondContact NH2-OE2 2.91Å |
| 6 | V | 96.9 | Very high | 89.3 | Confident | 87 Ų | 87 | 76 Ų | 76 | 53% | 0.527 | 41% | 0.413 | S | S | . | . | trans | -122.1 | -8.6 | -174.4 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | Q4 D10 L339 | Q4-V6 HydrophobicContact CB-CG1 4.45Å; Q4-V6 HydrophobicContact CG-CG1 4.07Å; Q4-V6 PolarHBondContact O-N 2.9Å; V6-D10 WeakPolarHBondContact CG2-OD2 3.38Å; V6-D10 PolarHBondContact N-OD2 2.95Å; V6-L339 WeakPolarHBondContact O-CD1 3.38Å | ||
| 7 | C | 97.9 | Very high | 89.8 | Confident | 38 Ų | 38 | 82.6 Ų | 82.6 | 26% | 0.257 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -147.8 | 164.3 | 173.4 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | S9 D10 Y11 | C7-S9 PolarHBondContact O-N 3.33Å; C7-S9 PolarHBondContact SG-OG 2.95Å; C7-D10 PolarHBondContact N-OD2 3.34Å; C7-D10 WeakPolarHBondContact O-CB 3.24Å; C7-D10 PolarHBondContact O-N 2.81Å; C7-D10 VanDerWaalsContact O-N 3.08Å; C7-D10 PolarHBondContact SG-OD1 2.81Å; C7-D10 VanDerWaalsContact SG-OD1 3.4Å; C7-D10 PolarHBondContact SG-OD2 3.3Å; C7-Y11 WeakPolarHBondContact O-CD2 3Å |
| 8 | V | 98.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.03 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -30.7 | -178.1 | 173.9 | 0 | 0 | 0 | 0 | 113.1 | D10 Y11 E12 R299 P320 L340 | V8-D10 VanDerWaalsContact C-N 3.29Å; V8-D10 PolarHBondContact O-N 3.26Å; V8-Y11 WeakPolarHBondContact O-CB 3.38Å; V8-Y11 PolarHBondContact O-N 3.24Å; V8-E12 PolarHBondContact O-N 2.75Å; V8-R299 VanDerWaalsContact CG2-O 3.26Å; V8-R299 WeakPolarHBondContact CG2-O 3.4Å; V8-P320 HydrophobicContact CG1-CB 3.74Å; V8-P320 HydrophobicContact CG1-CG 3.83Å; V8-L340 HydrophobicContact CG2-CD1 4.22Å; V8-L340 HydrophobicContact CG2-CD2 3.89Å; V8-L340 HydrophobicContact CG2-CG 4.11Å |
| 9 | S | 98 | Very high | 90.6 | Very high | 64 Ų | 64 | 79.6 Ų | 79.6 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67 | -28.8 | 177.5 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | C7 Y11 E12 E13 | C7-S9 PolarHBondContact O-N 3.33Å; C7-S9 PolarHBondContact SG-OG 2.95Å; S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 PolarHBondContact O-N 3.22Å; S9-E12 PolarHBondContact O-N 2.97Å; S9-E12 VanDerWaalsContact O-N 3.17Å; S9-E13 WeakPolarHBondContact O-CG 3.47Å; S9-E13 PolarHBondContact O-N 2.96Å |
| 10 | D | 98.4 | Very high | 91 | Very high | 45 Ų | 45 | 79.9 Ų | 79.9 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 176.8 | -56.4 | -29.6 | 0 | 0 | 0 | 110.8 | R5 V6 C7 V8 E12 E13 E14 | R5-D10 HydrophobicContact CB-CB 4.15Å; R5-D10 HydrophobicContact CG-CB 4.22Å; V6-D10 WeakPolarHBondContact CG2-OD2 3.38Å; V6-D10 PolarHBondContact N-OD2 2.95Å; C7-D10 PolarHBondContact N-OD2 3.34Å; C7-D10 WeakPolarHBondContact O-CB 3.24Å; C7-D10 PolarHBondContact O-N 2.81Å; C7-D10 VanDerWaalsContact O-N 3.08Å; C7-D10 PolarHBondContact SG-OD1 2.81Å; C7-D10 VanDerWaalsContact SG-OD1 3.4Å; C7-D10 PolarHBondContact SG-OD2 3.3Å; V8-D10 VanDerWaalsContact C-N 3.29Å; V8-D10 PolarHBondContact O-N 3.26Å; D10-E12 VanDerWaalsContact C-N 3.35Å; D10-E13 PolarHBondContact O-N 2.97Å; D10-E14 WeakPolarHBondContact O-CB 3.5Å; D10-E14 PolarHBondContact O-N 3.31Å |
| 11 | Y | 98.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.016 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 173.3 | -71.4 | -96.4 | 0 | 0 | 0 | 111.5 | R5 C7 V8 S9 E14 A15 C327 E335 L336 L339 | R5-Y11 HydrophobicContact CB-CD2 4.07Å; R5-Y11 HydrophobicContact CB-CE2 3.62Å; R5-Y11 VanDerWaalsContact CD-CE1 3.44Å; R5-Y11 HydrophobicContact CG-CD2 4.47Å; R5-Y11 HydrophobicContact CG-CE2 4.33Å; R5-Y11 VanDerWaalsContact NE-CE1 3.32Å; C7-Y11 WeakPolarHBondContact O-CD2 3Å; V8-Y11 WeakPolarHBondContact O-CB 3.38Å; V8-Y11 PolarHBondContact O-N 3.24Å; S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 PolarHBondContact O-N 3.22Å; Y11-E14 PolarHBondContact O-N 2.76Å; Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 2.92Å; Y11-C327 HydrophobicContact CD1-CB 4.3Å; Y11-E335 VanDerWaalsContact OH-CB 3.22Å; Y11-E335 WeakPolarHBondContact OH-CB 2.94Å; Y11-E335 PolarHBondContact OH-OE2 3.33Å; Y11-L336 HydrophobicContact CD1-CD1 4.07Å; Y11-L336 HydrophobicContact CD2-CD1 3.96Å; Y11-L336 HydrophobicContact CE1-CB 4.13Å; Y11-L336 HydrophobicContact CE1-CD1 4.44Å; Y11-L336 HydrophobicContact CE2-CB 4.37Å; Y11-L336 HydrophobicContact CE2-CD1 4.35Å; Y11-L336 HydrophobicContact CG-CD1 3.82Å; Y11-L339 HydrophobicContact CE2-CD2 4.11Å |
| 12 | E | 98.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 23% | 0.229 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.2 | -175 | 165.3 | 167.7 | 0 | 0 | 111.8 | V8 S9 D10 A15 R16 Y24 W323 | V8-E12 PolarHBondContact O-N 2.75Å; S9-E12 PolarHBondContact O-N 2.97Å; S9-E12 VanDerWaalsContact O-N 3.17Å; D10-E12 VanDerWaalsContact C-N 3.35Å; E12-A15 PolarHBondContact O-N 3.04Å; E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.82Å; E12-Y24 HydrophobicContact CG-CE2 4.4Å; E12-Y24 PolarHBondContact OE1-OH 3.36Å; E12-W323 HydrophobicContact CB-CD2 4.45Å; E12-W323 HydrophobicContact CB-CG 4.11Å; E12-W323 HydrophobicContact CG-CD2 4.34Å; E12-W323 HydrophobicContact CG-CZ2 4.09Å; E12-W323 PolarHBondContact OE2-NE1 3.47Å; E12-W323 VanDerWaalsContact OE2-NE1 3.13Å |
| 13 | E | 98.1 | Very high | 96.1 | Very high | 92 Ų | 92 | 67 Ų | 67 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.3 | -75 | -172.1 | -167.4 | 0 | 0 | 112.6 | S9 D10 R17 | S9-E13 WeakPolarHBondContact O-CG 3.47Å; S9-E13 PolarHBondContact O-N 2.96Å; D10-E13 PolarHBondContact O-N 2.97Å; E13-R17 WeakPolarHBondContact O-CG 3.25Å; E13-R17 PolarHBondContact O-N 3.46Å |
| 14 | E | 97.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.7 | -48 | 175.6 | -174.4 | 178.6 | 155.9 | 0 | 0 | 110.9 | R5 D10 Y11 R16 R17 I18 | R5-E14 WeakPolarHBondContact CD-OE2 3.47Å; R5-E14 IonicContact NH1-OE1 2.68Å; R5-E14 PolarHBondContact NH1-OE1 3.13Å; R5-E14 IonicContact NH1-OE2 3.69Å; R5-E14 PolarHBondContact NH1-OE2 3.02Å; D10-E14 WeakPolarHBondContact O-CB 3.5Å; D10-E14 PolarHBondContact O-N 3.31Å; Y11-E14 PolarHBondContact O-N 2.76Å; E14-R16 VanDerWaalsContact C-N 3.26Å; E14-R16 PolarHBondContact O-N 3.14Å; E14-R17 WeakPolarHBondContact O-CB 3.29Å; E14-R17 PolarHBondContact O-N 2.88Å; E14-I18 HydrophobicContact CG-CD1 3.71Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 2.85Å |
| 15 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y11 E12 R17 I18 L19 W323 A326 | Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 2.92Å; E12-A15 PolarHBondContact O-N 3.04Å; A15-R17 PolarHBondContact O-N 3.23Å; A15-I18 PolarHBondContact O-N 3.11Å; A15-L19 HydrophobicContact CB-CD1 4.21Å; A15-L19 VanDerWaalsContact O-CB 3.32Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 VanDerWaalsContact O-CG 3.31Å; A15-L19 WeakPolarHBondContact O-CG 3.28Å; A15-L19 PolarHBondContact O-N 3.45Å; A15-W323 HydrophobicContact CB-CB 4.19Å; A15-W323 HydrophobicContact CB-CD2 4.37Å; A15-W323 HydrophobicContact CB-CE3 3.82Å; A15-A326 HydrophobicContact CB-CB 3.76Å |
| 16 | R | 98.4 | Very high | 98 | Very high | 135 Ų | 135 | 56.3 Ų | 56.3 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -30.8 | 175.2 | -175.7 | 175 | 64.8 | 115.8 | -4.6 | 113.3 | E12 E14 Y24 | E12-R16 WeakPolarHBondContact O-CB 3.32Å; E12-R16 PolarHBondContact O-N 2.82Å; E14-R16 VanDerWaalsContact C-N 3.26Å; E14-R16 PolarHBondContact O-N 3.14Å; R16-Y24 HydrophobicContact CB-CD2 3.93Å; R16-Y24 HydrophobicContact CB-CE1 4.27Å; R16-Y24 HydrophobicContact CB-CE2 3.57Å; R16-Y24 HydrophobicContact CB-CG 4.44Å; R16-Y24 HydrophobicContact CG-CD1 4.05Å; R16-Y24 HydrophobicContact CG-CD2 4.27Å; R16-Y24 HydrophobicContact CG-CE1 3.69Å; R16-Y24 HydrophobicContact CG-CE2 3.96Å; R16-Y24 HydrophobicContact CG-CG 4.31Å |
| 17 | R | 97.4 | Very high | 98.1 | Very high | 189 Ų | 189 | 52.4 Ų | 52.4 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -82 | -26.9 | 178.8 | -66.5 | 173.7 | -173.4 | 164.6 | 7.7 | 112.5 | E13 E14 A15 | E13-R17 WeakPolarHBondContact O-CG 3.25Å; E13-R17 PolarHBondContact O-N 3.46Å; E14-R17 WeakPolarHBondContact O-CB 3.29Å; E14-R17 PolarHBondContact O-N 2.88Å; A15-R17 PolarHBondContact O-N 3.23Å |
| 18 | I | 96.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 53.4 Ų | 53.4 | 48% | 0.477 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -93.8 | -41.1 | -174.4 | -61.5 | 169 | 0 | 0 | 0 | 111.7 | E14 A15 | E14-I18 HydrophobicContact CG-CD1 3.71Å; E14-I18 WeakPolarHBondContact O-CG1 3.4Å; E14-I18 PolarHBondContact O-N 2.85Å; A15-I18 PolarHBondContact O-N 3.11Å |
| 19 | L | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -74.7 | 143.2 | -173.7 | -68 | 174.6 | 0 | 0 | 0 | 111.8 | A15 K21 V23 Y27 W323 A326 | A15-L19 HydrophobicContact CB-CD1 4.21Å; A15-L19 VanDerWaalsContact O-CB 3.32Å; A15-L19 WeakPolarHBondContact O-CB 3.42Å; A15-L19 VanDerWaalsContact O-CG 3.31Å; A15-L19 WeakPolarHBondContact O-CG 3.28Å; A15-L19 PolarHBondContact O-N 3.45Å; L19-K21 PolarHBondContact O-N 2.7Å; L19-V23 HydrophobicContact CD2-CG1 4.27Å; L19-Y27 HydrophobicContact CD1-CD2 4.15Å; L19-Y27 HydrophobicContact CD1-CE2 4.45Å; L19-W323 HydrophobicContact CD1-CZ3 4.22Å; L19-A326 HydrophobicContact CD1-CB 3.9Å; L19-A326 HydrophobicContact CD2-CB 3.85Å; L19-A326 HydrophobicContact CG-CB 3.89Å |
| 20 | P | 97.9 | Very high | 98.1 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 55% | 0.552 | 23% | 0.233 | S | C | * | . | trans | -55.4 | 140.6 | 166.4 | -22.9 | 33.2 | 0 | 0 | 0 | 110.7 | A22 V23 Y24 | P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 3.12Å; P20-V23 HydrophobicContact CB-CG2 4.25Å; P20-V23 HydrophobicContact CG-CG2 4.37Å; P20-V23 WeakPolarHBondContact O-CA 3.28Å; P20-V23 WeakPolarHBondContact O-CB 3.4Å; P20-V23 PolarHBondContact O-N 3.26Å; P20-Y24 PolarHBondContact O-N 2.81Å | ||
| 21 | K | 97.5 | Very high | 98.2 | Very high | 131 Ų | 131 | 48 Ų | 48 | 57% | 0.57 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -47.6 | -50.5 | -175.8 | 174.3 | 172 | 170 | 52.8 | 0 | 113.2 | L19 V23 Y24 D25 | L19-K21 PolarHBondContact O-N 2.7Å; K21-V23 VanDerWaalsContact C-N 3.26Å; K21-V23 PolarHBondContact O-N 3.01Å; K21-Y24 PolarHBondContact O-N 2.69Å; K21-D25 WeakPolarHBondContact CE-OD2 3.34Å; K21-D25 VanDerWaalsContact CG-OD2 3.31Å; K21-D25 WeakPolarHBondContact CG-OD2 3.48Å; K21-D25 IonicContact NZ-OD1 2.94Å; K21-D25 IonicContact NZ-OD2 3.25Å; K21-D25 PolarHBondContact NZ-OD2 2.71Å; K21-D25 VanDerWaalsContact O-CB 3.28Å; K21-D25 WeakPolarHBondContact O-CB 3.37Å; K21-D25 PolarHBondContact O-N 3.26Å |
| 22 | A | 96.7 | Very high | 98.2 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -32.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P20 Y26 N178 | P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 3.12Å; A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 2.97Å; A22-Y26 VanDerWaalsContact O-N 3.08Å; A22-N178 HydrophobicContact CB-CB 3.99Å |
| 23 | V | 98.1 | Very high | 98.1 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.085 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.5 | -46.5 | 177.3 | 177 | 0 | 0 | 0 | 0 | 110.6 | L19 P20 K21 Y26 Y27 M85 | L19-V23 HydrophobicContact CD2-CG1 4.27Å; P20-V23 HydrophobicContact CB-CG2 4.25Å; P20-V23 HydrophobicContact CG-CG2 4.37Å; P20-V23 WeakPolarHBondContact O-CA 3.28Å; P20-V23 WeakPolarHBondContact O-CB 3.4Å; P20-V23 PolarHBondContact O-N 3.26Å; K21-V23 VanDerWaalsContact C-N 3.26Å; K21-V23 PolarHBondContact O-N 3.01Å; V23-Y26 PolarHBondContact O-N 3.3Å; V23-Y27 HydrophobicContact CG1-CD2 3.84Å; V23-Y27 HydrophobicContact CG1-CE2 3.41Å; V23-Y27 VanDerWaalsContact CG1-CE2 3.41Å; V23-Y27 VanDerWaalsContact O-CD2 3.25Å; V23-Y27 WeakPolarHBondContact O-CD2 3.3Å; V23-Y27 PolarHBondContact O-N 2.71Å; V23-Y27 VanDerWaalsContact O-N 3.11Å; V23-M85 HydrophobicContact CG1-CB 3.72Å; V23-M85 HydrophobicContact CG2-CB 4.31Å |
| 24 | Y | 98.7 | Very high | 98.2 | Very high | 26 Ų | 26 | 52 Ų | 52 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 175.7 | 174 | -102.5 | 0 | 0 | 0 | 111.2 | E12 R16 P20 K21 Y26 Y27 R28 W323 | E12-Y24 HydrophobicContact CG-CE2 4.4Å; E12-Y24 PolarHBondContact OE1-OH 3.36Å; R16-Y24 HydrophobicContact CB-CD2 3.93Å; R16-Y24 HydrophobicContact CB-CE1 4.27Å; R16-Y24 HydrophobicContact CB-CE2 3.57Å; R16-Y24 HydrophobicContact CB-CG 4.44Å; R16-Y24 HydrophobicContact CG-CD1 4.05Å; R16-Y24 HydrophobicContact CG-CD2 4.27Å; R16-Y24 HydrophobicContact CG-CE1 3.69Å; R16-Y24 HydrophobicContact CG-CE2 3.96Å; R16-Y24 HydrophobicContact CG-CG 4.31Å; P20-Y24 PolarHBondContact O-N 2.81Å; K21-Y24 PolarHBondContact O-N 2.69Å; Y24-Y26 VanDerWaalsContact C-N 3.32Å; Y24-Y26 PolarHBondContact O-N 3.17Å; Y24-Y27 PolarHBondContact O-N 3.33Å; Y24-R28 HydrophobicContact CE1-CB 4.16Å; Y24-R28 HydrophobicContact CE1-CG 4.27Å; Y24-R28 HydrophobicContact CE2-CB 4.37Å; Y24-R28 VanDerWaalsContact O-CB 3.29Å; Y24-R28 WeakPolarHBondContact O-CB 3.43Å; Y24-R28 PolarHBondContact O-N 2.87Å; Y24-W323 HydrophobicContact CD2-CH2 4.1Å; Y24-W323 HydrophobicContact CD2-CZ3 4.03Å; Y24-W323 AromaticContact CE2-CH2 3.96Å; Y24-W323 HydrophobicContact CE2-CH2 3.96Å; Y24-W323 HydrophobicContact CE2-CZ3 4.2Å |
| 25 | D | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 179.3 | -72.3 | -11.2 | 0 | 0 | 0 | 111.1 | K21 Y27 R28 S29 D174 N178 | K21-D25 WeakPolarHBondContact CE-OD2 3.34Å; K21-D25 VanDerWaalsContact CG-OD2 3.31Å; K21-D25 WeakPolarHBondContact CG-OD2 3.48Å; K21-D25 IonicContact NZ-OD1 2.94Å; K21-D25 IonicContact NZ-OD2 3.25Å; K21-D25 PolarHBondContact NZ-OD2 2.71Å; K21-D25 VanDerWaalsContact O-CB 3.28Å; K21-D25 WeakPolarHBondContact O-CB 3.37Å; K21-D25 PolarHBondContact O-N 3.26Å; D25-Y27 VanDerWaalsContact C-N 3.34Å; D25-Y27 PolarHBondContact O-N 3.01Å; D25-R28 PolarHBondContact O-N 3.45Å; D25-S29 WeakPolarHBondContact O-CB 3.48Å; D25-S29 PolarHBondContact O-N 3.15Å; D25-S29 PolarHBondContact O-OG 2.97Å; D25-D174 HydrophobicContact CB-CB 3.8Å; D25-N178 WeakPolarHBondContact CB-ND2 3.13Å; D25-N178 PolarHBondContact OD2-ND2 3.06Å |
| 26 | Y | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 174.8 | 164.2 | -102.2 | 0 | 0 | 0 | 112.8 | A22 V23 Y24 M82 M85 D175 F180 L209 R267 | A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.43Å; A22-Y26 PolarHBondContact O-N 2.97Å; A22-Y26 VanDerWaalsContact O-N 3.08Å; V23-Y26 PolarHBondContact O-N 3.3Å; Y24-Y26 VanDerWaalsContact C-N 3.32Å; Y24-Y26 PolarHBondContact O-N 3.17Å; Y26-M82 HydrophobicContact CE1-CE 3.61Å; Y26-M82 HydrophobicContact CE2-CE 3.8Å; Y26-M82 WeakPolarHBondContact OH-CE 3.39Å; Y26-M85 HydrophobicContact CD1-CE 3.46Å; Y26-M85 VanDerWaalsContact CD1-CE 3.46Å; Y26-M85 HydrophobicContact CE1-CE 3.53Å; Y26-M85 HydrophobicContact CG-CE 4.45Å; Y26-D175 WeakPolarHBondContact CA-OD1 3.29Å; Y26-F180 AromaticContact CD1-CE2 3.97Å; Y26-F180 HydrophobicContact CD1-CE2 3.97Å; Y26-F180 AromaticContact CD1-CZ 3.91Å; Y26-F180 HydrophobicContact CD1-CZ 3.91Å; Y26-F180 HydrophobicContact CD2-CD1 4Å; Y26-F180 HydrophobicContact CD2-CD2 4.18Å; Y26-F180 AromaticContact CD2-CE1 3.73Å; Y26-F180 HydrophobicContact CD2-CE1 3.73Å; Y26-F180 AromaticContact CD2-CE2 3.91Å; Y26-F180 HydrophobicContact CD2-CE2 3.91Å; Y26-F180 HydrophobicContact CD2-CG 4.23Å; Y26-F180 AromaticContact CD2-CZ 3.69Å; Y26-F180 HydrophobicContact CD2-CZ 3.69Å; Y26-F180 HydrophobicContact CE1-CZ 4.28Å; Y26-F180 AromaticContact CE2-CE1 3.96Å; Y26-F180 HydrophobicContact CE2-CE1 3.96Å; Y26-F180 HydrophobicContact CE2-CZ 4.08Å; Y26-F180 AromaticContact CG-CD2 3.96Å; Y26-F180 HydrophobicContact CG-CD2 3.96Å; Y26-F180 HydrophobicContact CG-CE1 4.15Å; Y26-F180 AromaticContact CG-CE2 3.49Å; Y26-F180 HydrophobicContact CG-CE2 3.49Å; Y26-F180 VanDerWaalsContact CG-CE2 3.49Å; Y26-F180 HydrophobicContact CG-CG 4.47Å; Y26-F180 AromaticContact CG-CZ 3.61Å; Y26-F180 HydrophobicContact CG-CZ 3.61Å; Y26-L209 HydrophobicContact CE2-CD2 3.73Å; Y26-R267 VanDerWaalsContact O-CZ 3.29Å; Y26-R267 PolarHBondContact O-NH1 2.83Å; Y26-R267 PolarHBondContact O-NH2 3.32Å |
| 27 | Y | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 2% | 0.024 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.8 | -41.7 | 179.4 | -67.8 | -42 | 0 | 0 | 0 | 112.9 | L19 V23 Y24 D25 M82 M85 A86 R319 L322 W323 | L19-Y27 HydrophobicContact CD1-CD2 4.15Å; L19-Y27 HydrophobicContact CD1-CE2 4.45Å; V23-Y27 HydrophobicContact CG1-CD2 3.84Å; V23-Y27 HydrophobicContact CG1-CE2 3.41Å; V23-Y27 VanDerWaalsContact CG1-CE2 3.41Å; V23-Y27 VanDerWaalsContact O-CD2 3.25Å; V23-Y27 WeakPolarHBondContact O-CD2 3.3Å; V23-Y27 PolarHBondContact O-N 2.71Å; V23-Y27 VanDerWaalsContact O-N 3.11Å; Y24-Y27 PolarHBondContact O-N 3.33Å; D25-Y27 VanDerWaalsContact C-N 3.34Å; D25-Y27 PolarHBondContact O-N 3.01Å; Y27-M82 PolarHBondContact OH-O 3.25Å; Y27-M85 HydrophobicContact CE1-CE 3.87Å; Y27-M85 WeakPolarHBondContact OH-CB 3.4Å; Y27-A86 HydrophobicContact CE2-CB 3.93Å; Y27-A86 PolarHBondContact OH-N 2.85Å; Y27-R319 WeakPolarHBondContact O-CD 3.33Å; Y27-R319 PolarHBondContact O-NE 2.99Å; Y27-L322 HydrophobicContact CD1-CD1 3.32Å; Y27-L322 HydrophobicContact CD1-CD2 4.27Å; Y27-L322 HydrophobicContact CD1-CG 4.31Å; Y27-L322 HydrophobicContact CD2-CD1 4.42Å; Y27-L322 HydrophobicContact CE1-CD1 3.73Å; Y27-L322 HydrophobicContact CE1-CD2 3.78Å; Y27-L322 HydrophobicContact CE1-CG 4.32Å; Y27-L322 HydrophobicContact CG-CD1 3.7Å; Y27-W323 HydrophobicContact CD2-CZ3 4.22Å; Y27-W323 HydrophobicContact CG-CZ3 4.4Å |
| 28 | R | 98.6 | Very high | 98.3 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 22% | 0.219 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.4 | -43 | -175.5 | -174.8 | -143 | 67.4 | 104 | -3.3 | 111.9 | Y24 D25 D174 R319 W323 | Y24-R28 HydrophobicContact CE1-CB 4.16Å; Y24-R28 HydrophobicContact CE1-CG 4.27Å; Y24-R28 HydrophobicContact CE2-CB 4.37Å; Y24-R28 VanDerWaalsContact O-CB 3.29Å; Y24-R28 WeakPolarHBondContact O-CB 3.43Å; Y24-R28 PolarHBondContact O-N 2.87Å; D25-R28 PolarHBondContact O-N 3.45Å; R28-D174 IonicContact NH2-OD2 2.69Å; R28-D174 PolarHBondContact NH2-OD2 3.46Å; R28-R319 PolarHBondContact O-NE 2.91Å; R28-R319 PolarHBondContact O-NH2 2.88Å; R28-W323 HydrophobicContact CB-CH2 4.26Å |
| 29 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -59.1 | 149.7 | -163.4 | -63.4 | 0 | 0 | 0 | 0 | 114.5 | D25 D174 R267 R319 | D25-S29 WeakPolarHBondContact O-CB 3.48Å; D25-S29 PolarHBondContact O-N 3.15Å; D25-S29 PolarHBondContact O-OG 2.97Å; S29-D174 PolarHBondContact OG-OD2 2.76Å; S29-R267 WeakPolarHBondContact O-CG 3.24Å; S29-R267 PolarHBondContact O-NH1 2.87Å; S29-R319 PolarHBondContact O-NH2 2.94Å | ||
| 30 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -101.3 | -173.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A266 | G30-A266 CarbonylContact C-O 3.57Å; G30-A266 WeakPolarHBondContact CA-O 3.36Å | ||
| 31 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -81.5 | 146.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D33 Q34 K171 A266 Q268 D270 | A31-D33 PolarHBondContact O-N 3.31Å; A31-Q34 VanDerWaalsContact O-CA 3.27Å; A31-Q34 WeakPolarHBondContact O-CA 3.33Å; A31-Q34 PolarHBondContact O-N 3.46Å; A31-K171 CarbonylContact C-O 3.51Å; A31-K171 WeakPolarHBondContact CA-O 3.24Å; A31-A266 PolarHBondContact N-O 3.38Å; A31-Q268 WeakPolarHBondContact CB-O 3.46Å; A31-D270 HydrophobicContact CB-CB 4.2Å |
| 32 | D | 98.4 | Very high | 98.5 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | -120.4 | 172.5 | -59.2 | -67.8 | 0 | 0 | 0 | 113.2 | Q34 K171 L173 D270 | D32-Q34 PolarHBondContact O-N 3.19Å; D32-K171 PolarHBondContact N-O 3.15Å; D32-L173 WeakPolarHBondContact O-CD1 3.4Å; D32-D270 HydrophobicContact CB-CB 4.12Å |
| 33 | D | 98.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 33.1 Ų | 33.1 | 68% | 0.679 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4.3 | -179.2 | -68.1 | -28.9 | 0 | 0 | 0 | 112.8 | A31 N35 | A31-D33 PolarHBondContact O-N 3.31Å; D33-N35 VanDerWaalsContact C-N 3.3Å; D33-N35 PolarHBondContact O-N 2.88Å |
| 34 | Q | 98.7 | Very high | 98.6 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | trans | 62.1 | 33.5 | 175.5 | -36.8 | -173.8 | 127.3 | 0 | 0 | 113.7 | A31 D32 L37 A38 D270 | A31-Q34 VanDerWaalsContact O-CA 3.27Å; A31-Q34 WeakPolarHBondContact O-CA 3.33Å; A31-Q34 PolarHBondContact O-N 3.46Å; D32-Q34 PolarHBondContact O-N 3.19Å; Q34-L37 HydrophobicContact CB-CB 3.86Å; Q34-L37 HydrophobicContact CB-CD2 4.1Å; Q34-L37 WeakPolarHBondContact O-CB 3.48Å; Q34-L37 PolarHBondContact O-N 3.21Å; Q34-A38 PolarHBondContact O-N 2.92Å; Q34-D270 PolarHBondContact N-OD2 3.19Å | ||
| 35 | N | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 36.6 Ų | 36.6 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61 | -48.6 | 177.6 | -65.1 | -64.3 | 0 | 0 | 0 | 111.2 | D33 L37 A38 D39 D270 | D33-N35 VanDerWaalsContact C-N 3.3Å; D33-N35 PolarHBondContact O-N 2.88Å; N35-L37 PolarHBondContact O-N 3.31Å; N35-A38 PolarHBondContact O-N 3.01Å; N35-D39 WeakPolarHBondContact O-CB 3.47Å; N35-D39 PolarHBondContact O-N 3.01Å; N35-D270 PolarHBondContact N-OD1 3.44Å; N35-D270 PolarHBondContact N-OD2 2.95Å; N35-D270 PolarHBondContact ND2-OD2 3.2Å |
| 36 | T | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -28.2 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | D39 N40 N263 A266 D270 G271 V272 | T36-D39 PolarHBondContact O-N 2.68Å; T36-N40 WeakPolarHBondContact O-CB 3.07Å; T36-N40 PolarHBondContact O-N 2.96Å; T36-N263 HydrophobicContact CG2-CB 4.42Å; T36-N263 VanDerWaalsContact CG2-ND2 3.25Å; T36-N263 WeakPolarHBondContact CG2-ND2 3Å; T36-A266 VanDerWaalsContact C-CB 3.48Å; T36-A266 HydrophobicContact CG2-CB 3.69Å; T36-D270 WeakPolarHBondContact CB-OD1 3.37Å; T36-D270 PolarHBondContact N-OD1 3.01Å; T36-D270 PolarHBondContact OG1-OD1 2.75Å; T36-G271 PolarHBondContact OG1-N 3.47Å; T36-V272 HydrophobicContact CG2-CG2 3.61Å; T36-V272 VanDerWaalsContact CG2-O 3.27Å; T36-V272 WeakPolarHBondContact CG2-O 3.42Å; T36-V272 PolarHBondContact OG1-N 3.33Å; T36-V272 PolarHBondContact OG1-O 2.77Å |
| 37 | L | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 177.5 | -179.8 | 64.7 | 0 | 0 | 0 | 110.9 | Q34 N35 A266 | Q34-L37 HydrophobicContact CB-CB 3.86Å; Q34-L37 HydrophobicContact CB-CD2 4.1Å; Q34-L37 WeakPolarHBondContact O-CB 3.48Å; Q34-L37 PolarHBondContact O-N 3.21Å; N35-L37 PolarHBondContact O-N 3.31Å; L37-A266 HydrophobicContact CB-CB 3.75Å; L37-A266 HydrophobicContact CD1-CB 4.23Å |
| 38 | A | 98.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 44.6 Ų | 44.6 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q34 N35 N40 V41 A42 | Q34-A38 PolarHBondContact O-N 2.92Å; N35-A38 PolarHBondContact O-N 3.01Å; A38-N40 VanDerWaalsContact C-N 3.35Å; A38-N40 PolarHBondContact O-N 3.26Å; A38-V41 PolarHBondContact O-N 2.96Å; A38-V41 VanDerWaalsContact O-N 3.16Å; A38-A42 PolarHBondContact O-N 2.97Å |
| 39 | D | 98.8 | Very high | 98.4 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | -176.3 | -165.2 | 44.3 | 0 | 0 | 0 | 113 | N35 T36 V41 A42 A43 R46 A274 | N35-D39 WeakPolarHBondContact O-CB 3.47Å; N35-D39 PolarHBondContact O-N 3.01Å; T36-D39 PolarHBondContact O-N 2.68Å; D39-V41 PolarHBondContact O-N 3.37Å; D39-V41 VanDerWaalsContact O-N 3.14Å; D39-A42 PolarHBondContact O-N 3.44Å; D39-A42 VanDerWaalsContact O-N 3.15Å; D39-A43 VanDerWaalsContact O-CB 3.3Å; D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 3.29Å; D39-R46 VanDerWaalsContact CG-NH2 3.31Å; D39-R46 IonicContact OD1-CZ 3.89Å; D39-R46 IonicContact OD1-NH1 3.03Å; D39-R46 PolarHBondContact OD1-NH1 3.07Å; D39-R46 IonicContact OD1-NH2 2.77Å; D39-R46 PolarHBondContact OD1-NH2 3.39Å; D39-R46 IonicContact OD2-NH2 2.8Å; D39-R46 PolarHBondContact OD2-NH2 3.5Å; D39-R46 VanDerWaalsContact OD2-NH2 3.11Å; D39-A274 WeakPolarHBondContact OD2-CB 3.47Å; D39-A274 PolarHBondContact OD2-N 2.77Å |
| 40 | N | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.1 | -35.7 | 173.7 | -93.2 | -22.2 | 0 | 0 | 0 | 113 | T36 A38 F44 N263 A274 T275 G297 | T36-N40 WeakPolarHBondContact O-CB 3.07Å; T36-N40 PolarHBondContact O-N 2.96Å; A38-N40 VanDerWaalsContact C-N 3.35Å; A38-N40 PolarHBondContact O-N 3.26Å; N40-F44 VanDerWaalsContact O-CD2 3.32Å; N40-F44 WeakPolarHBondContact O-CD2 3.25Å; N40-F44 WeakPolarHBondContact O-CE2 3.26Å; N40-N263 PolarHBondContact ND2-ND2 3.22Å; N40-N263 PolarHBondContact ND2-OD1 3.35Å; N40-N263 PolarHBondContact OD1-ND2 3.23Å; N40-A274 WeakPolarHBondContact OD1-CA 3.24Å; N40-T275 PolarHBondContact OD1-N 3.31Å; N40-G297 WeakPolarHBondContact O-CA 3.45Å |
| 41 | V | 98.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 42% | 0.418 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -84.7 | -44.4 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | A38 D39 A43 F44 | A38-V41 PolarHBondContact O-N 2.96Å; A38-V41 VanDerWaalsContact O-N 3.16Å; D39-V41 PolarHBondContact O-N 3.37Å; D39-V41 VanDerWaalsContact O-N 3.14Å; V41-A43 PolarHBondContact O-N 2.72Å; V41-F44 PolarHBondContact O-N 3.2Å |
| 42 | A | 98.4 | Very high | 98.3 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -29.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A38 D39 F44 N45 | A38-A42 PolarHBondContact O-N 2.97Å; D39-A42 PolarHBondContact O-N 3.44Å; D39-A42 VanDerWaalsContact O-N 3.15Å; A42-F44 VanDerWaalsContact C-N 3.3Å; A42-F44 PolarHBondContact O-N 3.31Å; A42-N45 WeakPolarHBondContact O-CB 3.49Å; A42-N45 PolarHBondContact O-N 3.19Å |
| 43 | A | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.2 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D39 V41 N45 R46 A274 L276 | D39-A43 VanDerWaalsContact O-CB 3.3Å; D39-A43 WeakPolarHBondContact O-CB 3.45Å; D39-A43 PolarHBondContact O-N 3.29Å; V41-A43 PolarHBondContact O-N 2.72Å; A43-N45 PolarHBondContact O-N 3.5Å; A43-N45 VanDerWaalsContact O-N 3.17Å; A43-R46 VanDerWaalsContact CA-NH2 3.35Å; A43-R46 WeakPolarHBondContact O-CB 3.46Å; A43-R46 PolarHBondContact O-N 3.04Å; A43-A274 HydrophobicContact CB-CB 3.39Å; A43-L276 HydrophobicContact CB-CB 4.17Å; A43-L276 HydrophobicContact CB-CD2 4.42Å |
| 44 | F | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.4 | -29.9 | 178.1 | -71.3 | -84.6 | 0 | 0 | 0 | 112.2 | N40 V41 A42 R46 W47 L276 M294 V298 D303 K306 | N40-F44 VanDerWaalsContact O-CD2 3.32Å; N40-F44 WeakPolarHBondContact O-CD2 3.25Å; N40-F44 WeakPolarHBondContact O-CE2 3.26Å; V41-F44 PolarHBondContact O-N 3.2Å; A42-F44 VanDerWaalsContact C-N 3.3Å; A42-F44 PolarHBondContact O-N 3.31Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 3.4Å; F44-W47 PolarHBondContact O-N 3.19Å; F44-L276 HydrophobicContact CB-CD2 4.28Å; F44-L276 HydrophobicContact CD1-CD1 4.17Å; F44-L276 HydrophobicContact CD1-CD2 3.44Å; F44-L276 VanDerWaalsContact CD1-CD2 3.44Å; F44-L276 HydrophobicContact CD1-CG 4.37Å; F44-L276 HydrophobicContact CD2-CD2 4.28Å; F44-L276 HydrophobicContact CE1-CD1 3.6Å; F44-L276 HydrophobicContact CE1-CD2 3.71Å; F44-L276 HydrophobicContact CE1-CG 4.15Å; F44-L276 HydrophobicContact CG-CD2 3.76Å; F44-L276 HydrophobicContact CZ-CB 4.36Å; F44-L276 HydrophobicContact CZ-CD1 4.07Å; F44-L276 HydrophobicContact CZ-CD2 4.26Å; F44-L276 HydrophobicContact CZ-CG 4.48Å; F44-M294 HydrophobicContact CE1-CE 4.36Å; F44-M294 HydrophobicContact CE2-CE 4.13Å; F44-M294 HydrophobicContact CZ-CE 3.51Å; F44-V298 HydrophobicContact CZ-CG2 3.84Å; F44-D303 WeakPolarHBondContact CB-OD1 3.27Å; F44-D303 HydrophobicContact CD1-CB 3.5Å; F44-D303 VanDerWaalsContact CD1-CB 3.5Å; F44-D303 WeakPolarHBondContact CD1-OD1 3.43Å; F44-D303 HydrophobicContact CE1-CB 3.45Å; F44-D303 VanDerWaalsContact CE1-CB 3.45Å; F44-D303 WeakPolarHBondContact CE1-O 3.32Å; F44-D303 HydrophobicContact CG-CB 4.07Å; F44-D303 WeakPolarHBondContact CG-OD1 3.45Å; F44-D303 HydrophobicContact CZ-CB 3.97Å; F44-K306 HydrophobicContact CD1-CB 4.41Å; F44-K306 HydrophobicContact CD1-CD 4.15Å; F44-K306 PolarHBondContact O-NZ 3.39Å |
| 45 | N | 97 | Very high | 98.1 | Very high | 111 Ų | 111 | 63.5 Ų | 63.5 | 59% | 0.594 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.8 | -19.7 | 177.2 | -62.5 | -34.5 | 0 | 0 | 0 | 113.2 | A42 A43 W47 | A42-N45 WeakPolarHBondContact O-CB 3.49Å; A42-N45 PolarHBondContact O-N 3.19Å; A43-N45 PolarHBondContact O-N 3.5Å; A43-N45 VanDerWaalsContact O-N 3.17Å; N45-W47 PolarHBondContact O-N 3.44Å |
| 46 | R | 96.8 | Very high | 98.1 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.1 | 173.6 | -59.9 | -172.9 | -75.9 | -92.8 | 15.2 | 112.8 | D39 A43 F44 D277 R366 A367 | D39-R46 VanDerWaalsContact CG-NH2 3.31Å; D39-R46 IonicContact OD1-CZ 3.89Å; D39-R46 IonicContact OD1-NH1 3.03Å; D39-R46 PolarHBondContact OD1-NH1 3.07Å; D39-R46 IonicContact OD1-NH2 2.77Å; D39-R46 PolarHBondContact OD1-NH2 3.39Å; D39-R46 IonicContact OD2-NH2 2.8Å; D39-R46 PolarHBondContact OD2-NH2 3.5Å; D39-R46 VanDerWaalsContact OD2-NH2 3.11Å; A43-R46 VanDerWaalsContact CA-NH2 3.35Å; A43-R46 WeakPolarHBondContact O-CB 3.46Å; A43-R46 PolarHBondContact O-N 3.04Å; F44-R46 VanDerWaalsContact C-N 3.3Å; F44-R46 PolarHBondContact O-N 3.4Å; R46-D277 IonicContact CZ-OD2 3.47Å; R46-D277 VanDerWaalsContact CZ-OD2 3.31Å; R46-D277 IonicContact NE-OD2 3.9Å; R46-D277 PolarHBondContact NE-OD2 2.85Å; R46-D277 VanDerWaalsContact NE-OD2 3.12Å; R46-D277 IonicContact NH2-OD2 3.88Å; R46-D277 PolarHBondContact NH2-OD2 3.46Å; R46-R366 CarbonylContact O-C 3.58Å; R46-R366 WeakPolarHBondContact O-CA 3.16Å; R46-A367 PolarHBondContact O-N 3.35Å |
| 47 | W | 97.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 66 Ų | 66 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.4 | -179.9 | -70.9 | 90.4 | 0 | 0 | 0 | 110.5 | F44 N45 L276 D277 K306 L310 V364 R366 | F44-W47 PolarHBondContact O-N 3.19Å; N45-W47 PolarHBondContact O-N 3.44Å; W47-L276 HydrophobicContact CG-CD2 4.13Å; W47-D277 PolarHBondContact NE1-OD1 2.91Å; W47-K306 HydrophobicContact CB-CD 4.23Å; W47-K306 WeakPolarHBondContact O-CE 3.32Å; W47-K306 PolarHBondContact O-NZ 3.06Å; W47-L310 HydrophobicContact CD2-CD1 4.3Å; W47-L310 HydrophobicContact CE3-CD2 4.11Å; W47-L310 HydrophobicContact CH2-CD1 4.46Å; W47-L310 HydrophobicContact CH2-CD2 3.55Å; W47-L310 HydrophobicContact CZ2-CD1 4.23Å; W47-L310 HydrophobicContact CZ2-CD2 4.13Å; W47-L310 HydrophobicContact CZ3-CD2 3.56Å; W47-V364 HydrophobicContact CE3-CB 4.07Å; W47-V364 HydrophobicContact CE3-CG2 4.17Å; W47-V364 HydrophobicContact CZ3-CG2 4.22Å; W47-R366 HydrophobicContact CD2-CB 4.02Å; W47-R366 HydrophobicContact CD2-CG 4.17Å; W47-R366 HydrophobicContact CE3-CB 3.84Å; W47-R366 HydrophobicContact CH2-CB 3.89Å; W47-R366 HydrophobicContact CH2-CG 4.42Å; W47-R366 HydrophobicContact CZ2-CB 4.03Å; W47-R366 HydrophobicContact CZ2-CG 4.06Å; W47-R366 HydrophobicContact CZ3-CB 3.77Å |
| 48 | Y | 98 | Very high | 98 | Very high | 137 Ų | 137 | 69.4 Ų | 69.4 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.6 | 176.1 | -62.4 | -61.7 | 0 | 0 | 0 | 111.3 | V364 R365 A367 | Y48-V364 CarbonylContact O-C 3.55Å; Y48-V364 VanDerWaalsContact O-CA 3.24Å; Y48-V364 WeakPolarHBondContact O-CA 3.36Å; Y48-R365 PolarHBondContact N-O 2.9Å; Y48-R365 PolarHBondContact O-N 3.13Å; Y48-A367 HydrophobicContact CD2-CB 4.26Å; Y48-A367 HydrophobicContact CE2-CB 3.54Å |
| 49 | L | 98.5 | Very high | 98 | Very high | 49 Ų | 49 | 71.8 Ų | 71.8 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.4 | 169.3 | -72.7 | 164.3 | 0 | 0 | 0 | 109.9 | P51 T302 L305 K306 L363 V364 | L49-P51 WeakPolarHBondContact O-CD 3.24Å; L49-T302 HydrophobicContact CD1-CG2 3.82Å; L49-L305 HydrophobicContact CD1-CD2 4.09Å; L49-L305 HydrophobicContact CD2-CD2 3.78Å; L49-L305 HydrophobicContact CD2-CG 3.9Å; L49-K306 HydrophobicContact CD2-CG 3.98Å; L49-K306 HydrophobicContact CG-CG 4.15Å; L49-L363 CarbonylContact C-O 3.51Å; L49-L363 VanDerWaalsContact CA-O 3.25Å; L49-L363 WeakPolarHBondContact CA-O 3.36Å; L49-V364 HydrophobicContact CD2-CG1 3.91Å |
| 50 | I | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 70.7 Ų | 70.7 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | trans | -111.6 | 89.4 | 179.5 | -48.9 | -58.4 | 0 | 0 | 0 | 107.8 | L363 R365 | I50-L363 PolarHBondContact N-O 3.33Å; I50-L363 WeakPolarHBondContact O-CD2 3.44Å; I50-R365 HydrophobicContact CD1-CB 4.15Å; I50-R365 HydrophobicContact CG1-CB 4.16Å | ||
| 51 | P | 97.9 | Very high | 98 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -71.4 | 152.9 | -174.6 | 30 | -36.3 | 0 | 0 | 0 | 112.2 | L49 L350 | L49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-L350 VanDerWaalsContact CB-O 3.29Å; P51-L350 WeakPolarHBondContact CB-O 3.38Å | ||
| 52 | R | 97.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 72 Ų | 72 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -104.1 | 114.9 | 168.8 | -65.7 | -170.3 | -66.6 | -177.4 | -3.2 | 109.9 | R55 S351 G352 | R52-R55 HydrophobicContact CB-CG 4.14Å; R52-R55 WeakPolarHBondContact O-CG 3.36Å; R52-S351 PolarHBondContact N-O 3.14Å; R52-G352 WeakPolarHBondContact O-CA 3.35Å | ||
| 53 | V | 97.7 | Very high | 97.9 | Very high | 120 Ų | 120 | 71.6 Ų | 71.6 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | trans | -78.5 | 164.7 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | R55 | V53-R55 VanDerWaalsContact C-N 3.28Å; V53-R55 PolarHBondContact O-N 3.38Å | ||
| 54 | L | 97.3 | Very high | 97.9 | Very high | 182 Ų | 182 | 72.6 Ų | 72.6 | 95% | 0.953 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 56.8 | 38.5 | 177.2 | -54.5 | 177.3 | 0 | 0 | 0 | 113.7 | ||
| 55 | R | 97.9 | Very high | 97.8 | Very high | 95 Ų | 95 | 74.8 Ų | 74.8 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | trans | -104.8 | 131.5 | 172.3 | -62.9 | -74.3 | -70.3 | 175.8 | 0.5 | 108.2 | R52 V53 V57 G352 E358 | R52-R55 HydrophobicContact CB-CG 4.14Å; R52-R55 WeakPolarHBondContact O-CG 3.36Å; V53-R55 VanDerWaalsContact C-N 3.28Å; V53-R55 PolarHBondContact O-N 3.38Å; R55-V57 HydrophobicContact CB-CG1 4.44Å; R55-V57 PolarHBondContact O-N 3.49Å; R55-V57 VanDerWaalsContact O-N 3.14Å; R55-G352 PolarHBondContact NE-O 3.47Å; R55-E358 IonicContact NH2-OE1 2.89Å; R55-E358 IonicContact NH2-OE2 2.66Å; R55-E358 PolarHBondContact NH2-OE2 3.06Å | ||
| 56 | D | 97.9 | Very high | 97.9 | Very high | 109 Ų | 109 | 69.5 Ų | 69.5 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | trans | -68.3 | 110.1 | 173.7 | 177.6 | 7.9 | 0 | 0 | 0 | 109.6 | S58 R354 | D56-S58 VanDerWaalsContact OD1-CB 3.25Å; D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 3.06Å; D56-S58 PolarHBondContact OD1-OG 3.44Å; D56-R354 WeakPolarHBondContact O-CD 3.23Å; D56-R354 WeakPolarHBondContact O-CG 3.23Å | ||
| 57 | V | 98.4 | Very high | 97.9 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 24% | 0.236 | 37% | 0.367 | C | S | . | . | trans | -119.9 | 26.8 | 178.9 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | R55 V59 V60 A349 R354 | R55-V57 HydrophobicContact CB-CG1 4.44Å; R55-V57 PolarHBondContact O-N 3.49Å; R55-V57 VanDerWaalsContact O-N 3.14Å; V57-V59 PolarHBondContact O-N 2.94Å; V57-V60 HydrophobicContact CB-CG2 4.33Å; V57-A349 HydrophobicContact CB-CB 4.09Å; V57-A349 HydrophobicContact CG2-CB 3.94Å; V57-R354 HydrophobicContact CG1-CG 4.25Å | ||
| 58 | S | 98 | Very high | 97.8 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 69% | 0.685 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -58.2 | -26.1 | 175.4 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | D56 | D56-S58 VanDerWaalsContact OD1-CB 3.25Å; D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 3.06Å; D56-S58 PolarHBondContact OD1-OG 3.44Å |
| 59 | V | 97.9 | Very high | 97.8 | Very high | 114 Ų | 114 | 67.6 Ų | 67.6 | 69% | 0.691 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -130.9 | 129.7 | 172.1 | -177 | 0 | 0 | 0 | 0 | 109.2 | V57 | V57-V59 PolarHBondContact O-N 2.94Š|
| 60 | V | 98.5 | Very high | 97.7 | Very high | 25 Ų | 25 | 74.1 Ų | 74.1 | 15% | 0.152 | 41% | 0.408 | C | S | . | . | trans | -122.5 | 118 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | V57 M62 R345 L348 A349 R354 | V57-V60 HydrophobicContact CB-CG2 4.33Å; V60-M62 HydrophobicContact CG1-CG 4.16Å; V60-R345 HydrophobicContact CB-CG 4.23Å; V60-R345 HydrophobicContact CG1-CG 4.37Å; V60-L348 HydrophobicContact CG1-CB 3.84Å; V60-L348 HydrophobicContact CG1-CD1 3.86Å; V60-A349 HydrophobicContact CG2-CB 4.13Å; V60-R354 CarbonylContact C-O 3.46Å; V60-R354 WeakPolarHBondContact CA-O 3.44Å | ||
| 61 | D | 98.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 71.3 Ų | 71.3 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 106.8 | 175 | -177.3 | 9.2 | 0 | 0 | 0 | 111.1 | S63 R354 S355 I356 | D61-S63 VanDerWaalsContact OD1-CB 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 2.97Å; D61-S63 PolarHBondContact OD1-OG 3.21Å; D61-S63 PolarHBondContact OD2-OG 2.81Å; D61-R354 PolarHBondContact N-O 3.19Å; D61-S355 WeakPolarHBondContact O-CA 3.37Å; D61-I356 PolarHBondContact O-N 3.16Å |
| 62 | M | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | trans | -88.6 | -4.6 | 177.2 | -63.8 | -170.4 | -68.9 | 0 | 0 | 113.5 | V60 S72 M73 P74 K341 L344 R345 L348 I356 | V60-M62 HydrophobicContact CG1-CG 4.16Å; M62-S72 CarbonylContact C-O 3.58Å; M62-M73 HydrophobicContact CB-CB 4.43Å; M62-M73 WeakPolarHBondContact O-CA 3.4Å; M62-P74 WeakPolarHBondContact O-CD 3.29Å; M62-K341 HydrophobicContact CE-CD 4.43Å; M62-K341 HydrophobicContact CE-CG 3.47Å; M62-K341 VanDerWaalsContact CE-CG 3.47Å; M62-L344 HydrophobicContact SD-CB 4.21Å; M62-L344 HydrophobicContact SD-CD2 4.1Å; M62-L344 HydrophobicContact SD-CG 3.92Å; M62-R345 HydrophobicContact CE-CB 3.77Å; M62-R345 HydrophobicContact CE-CG 4.17Å; M62-R345 VanDerWaalsContact SD-CA 3.53Å; M62-R345 HydrophobicContact SD-CB 3.64Å; M62-R345 HydrophobicContact SD-CG 4.29Å; M62-R345 PolarHBondContact SD-N 2.89Å; M62-R345 VanDerWaalsContact SD-N 3.43Å; M62-L348 HydrophobicContact CG-CD1 3.66Å; M62-L348 HydrophobicContact SD-CD1 4.18Å; M62-I356 WeakPolarHBondContact O-CG1 3.5Å | ||
| 63 | S | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 21% | 0.21 | 37% | 0.365 | C | S | . | . | trans | -66.1 | 143.3 | -174 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | D61 R70 L71 | D61-S63 VanDerWaalsContact OD1-CB 3.25Å; D61-S63 WeakPolarHBondContact OD1-CB 3.45Å; D61-S63 PolarHBondContact OD1-N 2.97Å; D61-S63 PolarHBondContact OD1-OG 3.21Å; D61-S63 PolarHBondContact OD2-OG 2.81Å; S63-R70 PolarHBondContact OG-NH2 3.44Å; S63-R70 VanDerWaalsContact OG-NH2 3.14Å; S63-L71 WeakPolarHBondContact CA-O 3.45Å; S63-L71 WeakPolarHBondContact CB-O 3.42Å | ||
| 64 | T | 98 | Very high | 97.8 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 175.9 | 179.2 | -167.3 | 0 | 0 | 0 | 0 | 110.1 | V66 R70 L71 P74 | T64-V66 HydrophobicContact CG2-CG2 4.37Å; T64-R70 CarbonylContact O-C 3.54Å; T64-R70 WeakPolarHBondContact O-CA 3.32Å; T64-L71 HydrophobicContact CG2-CB 4.47Å; T64-L71 PolarHBondContact N-O 2.91Å; T64-L71 VanDerWaalsContact N-O 3.14Å; T64-L71 PolarHBondContact O-N 3.29Å; T64-P74 HydrophobicContact CG2-CB 3.87Å |
| 65 | S | 97.3 | Very high | 97.9 | Very high | 49 Ų | 49 | 50.3 Ų | 50.3 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.3 | 166.7 | 57 | 0 | 0 | 0 | 0 | 110 | H69 K313 | S65-H69 CarbonylContact C-O 3.54Å; S65-H69 VanDerWaalsContact CA-O 3.24Å; S65-H69 WeakPolarHBondContact CA-O 3.35Å; S65-K313 WeakPolarHBondContact O-CE 3.46Å; S65-K313 PolarHBondContact O-NZ 3.34Å; S65-K313 PolarHBondContact OG-NZ 2.84Å |
| 66 | V | 97.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.7 | 168.6 | 171.5 | 0 | 0 | 0 | 0 | 107 | T64 G68 H69 L71 W133 F293 A314 | T64-V66 HydrophobicContact CG2-CG2 4.37Å; V66-G68 PolarHBondContact O-N 3.41Å; V66-G68 VanDerWaalsContact O-N 3.16Å; V66-H69 PolarHBondContact N-O 3.29Å; V66-H69 PolarHBondContact O-N 2.88Å; V66-L71 HydrophobicContact CB-CD1 3.86Å; V66-L71 HydrophobicContact CB-CG 4.47Å; V66-L71 HydrophobicContact CG2-CD1 3.56Å; V66-L71 HydrophobicContact CG2-CG 4.4Å; V66-W133 HydrophobicContact CB-CH2 4.27Å; V66-W133 HydrophobicContact CB-CZ2 4.13Å; V66-W133 HydrophobicContact CG1-CH2 3.78Å; V66-W133 HydrophobicContact CG1-CZ2 3.62Å; V66-F293 HydrophobicContact CG1-CE1 3.73Å; V66-F293 HydrophobicContact CG1-CZ 4.02Å; V66-A314 HydrophobicContact CG2-CB 3.66Å |
| 67 | L | 96.4 | Very high | 98 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 38.2 | -178 | -55.5 | 168.4 | 0 | 0 | 0 | 112.7 | H69 A159 F161 I238 E291 F293 | L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-CD2 3.41Å; L67-H69 PolarHBondContact O-N 3.18Å; L67-A159 HydrophobicContact CD1-CB 3.67Å; L67-F161 HydrophobicContact CD1-CE2 4.1Å; L67-F161 HydrophobicContact CD1-CZ 4.07Å; L67-I238 HydrophobicContact CD1-CD1 3.57Å; L67-I238 HydrophobicContact CD1-CG1 4.17Å; L67-I238 HydrophobicContact CD2-CD1 4Å; L67-I238 HydrophobicContact CD2-CG1 4.17Å; L67-I238 HydrophobicContact CG-CD1 4.45Å; L67-E291 PolarHBondContact N-OE2 2.96Å; L67-F293 HydrophobicContact CD1-CZ 4.47Å; L67-F293 HydrophobicContact CD2-CE2 4.26Å; L67-F293 HydrophobicContact CD2-CZ 3.91Å; L67-F293 HydrophobicContact CG-CZ 3.96Å |
| 68 | G | 96.4 | Very high | 98 | Very high | 70 Ų | 70 | 39 Ų | 39 | 72% | 0.722 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V66 | V66-G68 PolarHBondContact O-N 3.41Å; V66-G68 VanDerWaalsContact O-N 3.16Å |
| 69 | H | 97.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 35.6 Ų | 35.6 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.9 | 178.9 | -64 | -80.6 | 0 | 0 | 0 | 112.2 | S65 V66 L67 V131 K158 | S65-H69 CarbonylContact C-O 3.54Å; S65-H69 VanDerWaalsContact CA-O 3.24Å; S65-H69 WeakPolarHBondContact CA-O 3.35Å; V66-H69 PolarHBondContact N-O 3.29Å; V66-H69 PolarHBondContact O-N 2.88Å; L67-H69 VanDerWaalsContact C-N 3.34Å; L67-H69 PolarHBondContact O-CD2 3.41Å; L67-H69 PolarHBondContact O-N 3.18Å; H69-V131 HydrophobicContact CB-CG1 4.36Å; H69-V131 HydrophobicContact CB-CG2 3.66Å; H69-K158 WeakPolarHBondContact NE2-CB 3.39Å; H69-K158 WeakPolarHBondContact NE2-CG 3.28Å |
| 70 | R | 97.3 | Very high | 98.1 | Very high | 187 Ų | 187 | 31 Ų | 31 | 71% | 0.706 | 18% | 0.181 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.9 | 178.7 | -169.4 | 172.6 | -172.8 | 165.6 | 3.4 | 111 | S63 T64 | S63-R70 PolarHBondContact OG-NH2 3.44Å; S63-R70 VanDerWaalsContact OG-NH2 3.14Å; T64-R70 CarbonylContact O-C 3.54Å; T64-R70 WeakPolarHBondContact O-CA 3.32Å |
| 71 | L | 97.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.3 | 174.7 | -53.1 | -176.8 | 0 | 0 | 0 | 110.5 | S63 T64 V66 M73 C76 V131 W133 | S63-L71 WeakPolarHBondContact CA-O 3.45Å; S63-L71 WeakPolarHBondContact CB-O 3.42Å; T64-L71 HydrophobicContact CG2-CB 4.47Å; T64-L71 PolarHBondContact N-O 2.91Å; T64-L71 VanDerWaalsContact N-O 3.14Å; T64-L71 PolarHBondContact O-N 3.29Å; V66-L71 HydrophobicContact CB-CD1 3.86Å; V66-L71 HydrophobicContact CB-CG 4.47Å; V66-L71 HydrophobicContact CG2-CD1 3.56Å; V66-L71 HydrophobicContact CG2-CG 4.4Å; L71-M73 VanDerWaalsContact C-N 3.32Å; L71-C76 VanDerWaalsContact CD1-SG 3.51Å; L71-V131 HydrophobicContact CD2-CB 4.4Å; L71-V131 HydrophobicContact CD2-CG2 3.79Å; L71-W133 HydrophobicContact CD1-CH2 4.14Å |
| 72 | S | 98 | Very high | 98 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -72.5 | -24.5 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | M62 V101 G102 | M62-S72 CarbonylContact C-O 3.58Å; S72-V101 WeakPolarHBondContact CB-O 3.3Å; S72-V101 PolarHBondContact OG-O 2.82Å; S72-G102 PolarHBondContact N-O 3.29Å; S72-G102 PolarHBondContact OG-O 2.81Å |
| 73 | M | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -154.5 | 158.1 | 179.3 | 60 | 173.9 | 175.5 | 0 | 0 | 110.7 | M62 L71 L75 V101 T103 L337 K341 | M62-M73 HydrophobicContact CB-CB 4.43Å; M62-M73 WeakPolarHBondContact O-CA 3.4Å; L71-M73 VanDerWaalsContact C-N 3.32Å; M73-L75 HydrophobicContact CE-CB 4.22Å; M73-L75 HydrophobicContact CE-CD2 3.65Å; M73-L75 HydrophobicContact CG-CB 4.25Å; M73-L75 PolarHBondContact O-N 3.14Å; M73-L75 HydrophobicContact SD-CB 3.99Å; M73-L75 HydrophobicContact SD-CD2 4.4Å; M73-V101 HydrophobicContact CE-CG1 3.75Å; M73-T103 HydrophobicContact CE-CG2 4.31Å; M73-L337 HydrophobicContact CE-CB 4.39Å; M73-L337 HydrophobicContact CE-CD2 4.29Å; M73-K341 HydrophobicContact CE-CB 4.31Å; M73-K341 HydrophobicContact CG-CD 4.43Å; M73-K341 HydrophobicContact SD-CB 3.47Å; M73-K341 WeakPolarHBondContact SD-CB 3.46Å; M73-K341 HydrophobicContact SD-CD 3.87Å; M73-K341 HydrophobicContact SD-CG 3.69Å |
| 74 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -82.3 | 38.6 | 177.3 | 36.5 | -39.5 | 0 | 0 | 0 | 113.2 | M62 T64 V304 L308 A314 V315 L344 I356 | M62-P74 WeakPolarHBondContact O-CD 3.29Å; T64-P74 HydrophobicContact CG2-CB 3.87Å; P74-V304 HydrophobicContact CG-CG1 4.29Å; P74-L308 HydrophobicContact CB-CD1 4.15Å; P74-L308 HydrophobicContact CB-CD2 3.9Å; P74-L308 HydrophobicContact CG-CD1 3.49Å; P74-L308 VanDerWaalsContact CG-CD1 3.49Å; P74-L308 HydrophobicContact CG-CD2 4.2Å; P74-L308 HydrophobicContact CG-CG 4.41Å; P74-A314 HydrophobicContact CB-CB 4.33Å; P74-A314 WeakPolarHBondContact O-CA 3.28Å; P74-V315 PolarHBondContact O-N 3.44Å; P74-L344 HydrophobicContact CG-CD2 3.89Å; P74-I356 HydrophobicContact CG-CD1 3.8Å; P74-I356 HydrophobicContact CG-CG1 4.18Å |
| 75 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 121.7 | 177.5 | 178.4 | 148.1 | 0 | 0 | 0 | 109.4 | M73 T103 V304 V315 I317 L337 L340 | M73-L75 HydrophobicContact CE-CB 4.22Å; M73-L75 HydrophobicContact CE-CD2 3.65Å; M73-L75 HydrophobicContact CG-CB 4.25Å; M73-L75 PolarHBondContact O-N 3.14Å; M73-L75 HydrophobicContact SD-CB 3.99Å; M73-L75 HydrophobicContact SD-CD2 4.4Å; L75-T103 PolarHBondContact O-OG1 2.8Å; L75-V304 HydrophobicContact CD1-CG2 3.62Å; L75-V315 WeakPolarHBondContact CA-O 3.4Å; L75-V315 HydrophobicContact CB-CG2 4.26Å; L75-V315 HydrophobicContact CD1-CG2 4.3Å; L75-V315 HydrophobicContact CG-CG2 4.24Å; L75-I317 HydrophobicContact CD1-CG2 4.25Å; L75-I317 HydrophobicContact CD2-CD1 3.92Å; L75-I317 HydrophobicContact CD2-CG1 4.05Å; L75-L337 HydrophobicContact CD2-CD2 3.73Å; L75-L340 HydrophobicContact CD1-CB 4.05Å; L75-L340 HydrophobicContact CD1-CD1 4.09Å |
| 76 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 162.8 | -175.8 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L71 W133 V315 F316 I317 | L71-C76 VanDerWaalsContact CD1-SG 3.51Å; C76-W133 HydrophobicContact CB-CH2 4.49Å; C76-W133 HydrophobicContact CB-CZ3 3.95Å; C76-V315 PolarHBondContact N-O 3.07Å; C76-F316 HydrophobicContact CB-CD1 3.58Å; C76-F316 HydrophobicContact CB-CE1 3.54Å; C76-F316 HydrophobicContact CB-CG 4.13Å; C76-F316 HydrophobicContact CB-CZ 4.05Å; C76-F316 VanDerWaalsContact O-CA 3.31Å; C76-F316 WeakPolarHBondContact O-CA 3.15Å; C76-I317 WeakPolarHBondContact O-CG1 3.4Å; C76-I317 PolarHBondContact O-N 2.94Å |
| 77 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.8 | 170.5 | 171.2 | 0 | 0 | 0 | 0 | 110 | T94 C98 G104 M105 M106 V321 L337 | V77-T94 HydrophobicContact CG1-CG2 3.78Å; V77-T94 HydrophobicContact CG2-CG2 4.44Å; V77-C98 WeakPolarHBondContact CG2-SG 3.28Å; V77-G104 PolarHBondContact N-O 3.05Å; V77-M105 HydrophobicContact CB-CB 4.3Å; V77-M105 HydrophobicContact CB-CG 4.45Å; V77-M105 HydrophobicContact CG1-CG 4.24Å; V77-M106 WeakPolarHBondContact O-CB 3.33Å; V77-M106 PolarHBondContact O-N 3.15Å; V77-V321 HydrophobicContact CB-CG2 4.31Å; V77-V321 HydrophobicContact CG1-CB 4.43Å; V77-V321 HydrophobicContact CG1-CG1 4.09Å; V77-V321 HydrophobicContact CG1-CG2 3.9Å; V77-V321 HydrophobicContact CG2-CG2 3.74Å; V77-L337 HydrophobicContact CG2-CD1 4.33Å; V77-L337 HydrophobicContact CG2-CD2 4.14Å |
| 78 | G | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 165.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | T80 I317 | G78-T80 PolarHBondContact O-N 3.43Å; G78-I317 PolarHBondContact N-O 3.46Å |
| 79 | S | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 29.6 Ų | 29.6 | 20% | 0.196 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 118.7 | 178.4 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | M106 Q135 | S79-M106 VanDerWaalsContact CA-O 3.24Å; S79-M106 WeakPolarHBondContact CA-O 3.42Å; S79-M106 PolarHBondContact N-O 2.99Å; S79-Q135 WeakPolarHBondContact OG-CG 3.1Å |
| 80 | T | 98.7 | Very high | 98.5 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | trans | -122.4 | 131.7 | 166.6 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | G78 Q83 L322 | G78-T80 PolarHBondContact O-N 3.43Å; T80-Q83 PolarHBondContact OG1-NE2 3.05Å; T80-L322 HydrophobicContact CG2-CD1 3.84Å; T80-L322 HydrophobicContact CG2-CG 4.14Å | ||
| 81 | A | 97.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 18 Ų | 18 | 8% | 0.083 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -77.8 | 152.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q83 W110 | A81-Q83 PolarHBondContact O-N 3.28Å; A81-W110 HydrophobicContact CB-CB 3.75Å; A81-W110 HydrophobicContact CB-CE3 4.29Å |
| 82 | M | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 60.1 | 42.5 | 165.2 | -51.2 | 176 | -78.1 | 0 | 0 | 115.3 | Y26 Y27 R84 M85 W110 T112 F180 M182 M188 F198 L209 | Y26-M82 HydrophobicContact CE1-CE 3.61Å; Y26-M82 HydrophobicContact CE2-CE 3.8Å; Y26-M82 WeakPolarHBondContact OH-CE 3.39Å; Y27-M82 PolarHBondContact OH-O 3.25Å; M82-R84 PolarHBondContact O-N 3.21Å; M82-M85 HydrophobicContact CB-CE 3.66Å; M82-M85 HydrophobicContact CB-CG 4.31Å; M82-M85 HydrophobicContact CB-SD 4.25Å; M82-M85 HydrophobicContact CE-CE 4.17Å; M82-M85 PolarHBondContact O-N 3.04Å; M82-M85 HydrophobicContact SD-CE 4.39Å; M82-W110 PolarHBondContact N-O 2.83Å; M82-W110 VanDerWaalsContact N-O 3.07Å; M82-T112 HydrophobicContact CB-CG2 4Å; M82-T112 HydrophobicContact CG-CG2 4.35Å; M82-F180 HydrophobicContact CE-CE1 3.9Å; M82-F180 HydrophobicContact CE-CZ 3.86Å; M82-F180 HydrophobicContact SD-CZ 4.38Å; M82-M182 HydrophobicContact CB-CE 4.25Å; M82-M182 HydrophobicContact CB-SD 4.4Å; M82-M182 HydrophobicContact CG-CE 3.52Å; M82-M182 HydrophobicContact CG-SD 4.24Å; M82-M182 HydrophobicContact SD-CE 3.34Å; M82-M182 WeakPolarHBondContact SD-CE 3.46Å; M82-M182 HydrophobicContact SD-SD 3.94Å; M82-M188 HydrophobicContact SD-CE 4.25Å; M82-F198 HydrophobicContact SD-CD1 4.17Å; M82-F198 HydrophobicContact SD-CE1 4.35Å; M82-L209 HydrophobicContact CE-CD2 4.45Å | ||
| 83 | Q | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -61.9 | -20.9 | -172.3 | -62.9 | -172.7 | -1.9 | 0 | 0 | 113.7 | T80 A81 M85 A86 H87 E91 T94 T112 L322 L325 | T80-Q83 PolarHBondContact OG1-NE2 3.05Å; A81-Q83 PolarHBondContact O-N 3.28Å; Q83-M85 PolarHBondContact O-N 3.19Å; Q83-A86 WeakPolarHBondContact O-CB 3.35Å; Q83-A86 PolarHBondContact O-N 3.16Å; Q83-H87 PolarHBondContact O-N 3.22Å; Q83-E91 HydrophobicContact CB-CG 3.99Å; Q83-E91 HydrophobicContact CG-CG 3.96Å; Q83-E91 PolarHBondContact N-OE1 2.94Å; Q83-E91 VanDerWaalsContact OE1-CA 3.28Å; Q83-T94 PolarHBondContact OE1-OG1 2.94Å; Q83-T112 PolarHBondContact N-OG1 3.29Å; Q83-L322 HydrophobicContact CB-CD2 4.48Å; Q83-L322 HydrophobicContact CG-CD2 3.93Å; Q83-L325 HydrophobicContact CB-CD1 3.78Å; Q83-L325 HydrophobicContact CG-CD1 4.14Å |
| 84 | R | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 17.1 Ų | 17.1 | 21% | 0.211 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -66.7 | -13 | 175.3 | -68.5 | -170.5 | -172.8 | -165.4 | 4.3 | 114.4 | M82 H87 P88 T112 S113 E117 L186 | M82-R84 PolarHBondContact O-N 3.21Å; R84-H87 VanDerWaalsContact CA-O 3.28Å; R84-H87 WeakPolarHBondContact CA-O 3.46Å; R84-P88 WeakPolarHBondContact CD-O 3.21Å; R84-P88 WeakPolarHBondContact CG-O 3.4Å; R84-T112 HydrophobicContact CB-CG2 4.28Å; R84-T112 VanDerWaalsContact CB-OG1 3.27Å; R84-T112 WeakPolarHBondContact CB-OG1 3.35Å; R84-T112 VanDerWaalsContact CG-OG1 3.32Å; R84-T112 WeakPolarHBondContact CG-OG1 3.41Å; R84-T112 PolarHBondContact N-OG1 2.93Å; R84-T112 PolarHBondContact NE-O 3.23Å; R84-S113 PolarHBondContact NE-OG 3.46Å; R84-S113 PolarHBondContact NH2-OG 3.26Å; R84-S113 VanDerWaalsContact NH2-OG 3.17Å; R84-E117 IonicContact NH2-OE2 3.48Å; R84-L186 HydrophobicContact CB-CD1 4.04Å; R84-L186 HydrophobicContact CB-CD2 3.67Å |
| 85 | M | 98.5 | Very high | 98.7 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -71.9 | -22.1 | 168.1 | -55 | -175.6 | -58.4 | 0 | 0 | 112.3 | V23 Y26 Y27 M82 Q83 F180 M182 P183 L186 | V23-M85 HydrophobicContact CG1-CB 3.72Å; V23-M85 HydrophobicContact CG2-CB 4.31Å; Y26-M85 HydrophobicContact CD1-CE 3.46Å; Y26-M85 VanDerWaalsContact CD1-CE 3.46Å; Y26-M85 HydrophobicContact CE1-CE 3.53Å; Y26-M85 HydrophobicContact CG-CE 4.45Å; Y27-M85 HydrophobicContact CE1-CE 3.87Å; Y27-M85 WeakPolarHBondContact OH-CB 3.4Å; M82-M85 HydrophobicContact CB-CE 3.66Å; M82-M85 HydrophobicContact CB-CG 4.31Å; M82-M85 HydrophobicContact CB-SD 4.25Å; M82-M85 HydrophobicContact CE-CE 4.17Å; M82-M85 PolarHBondContact O-N 3.04Å; M82-M85 HydrophobicContact SD-CE 4.39Å; Q83-M85 PolarHBondContact O-N 3.19Å; M85-F180 HydrophobicContact CE-CE2 4.12Å; M85-F180 HydrophobicContact CE-CZ 3.85Å; M85-F180 HydrophobicContact SD-CE2 4.02Å; M85-F180 HydrophobicContact SD-CZ 3.86Å; M85-M182 HydrophobicContact CG-SD 4.43Å; M85-M182 HydrophobicContact SD-SD 4.37Å; M85-P183 HydrophobicContact CG-CG 4.04Å; M85-P183 HydrophobicContact SD-CG 4.26Å; M85-L186 HydrophobicContact CB-CD1 4.4Å; M85-L186 HydrophobicContact CG-CD1 3.69Å |
| 86 | A | 98.5 | Very high | 98.6 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 10% | 0.099 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y27 Q83 L325 A326 | Y27-A86 HydrophobicContact CE2-CB 3.93Å; Y27-A86 PolarHBondContact OH-N 2.85Å; Q83-A86 WeakPolarHBondContact O-CB 3.35Å; Q83-A86 PolarHBondContact O-N 3.16Å; A86-L325 HydrophobicContact CB-CB 4.01Å; A86-A326 HydrophobicContact CB-CB 4.33Å |
| 87 | H | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 20.1 Ų | 20.1 | 29% | 0.287 | 11% | 0.113 | S | C | . | . | trans | -157.1 | 141.7 | -179.3 | -174.6 | -91.7 | 0 | 0 | 0 | 110.4 | Q83 R84 A89 G90 L325 | Q83-H87 PolarHBondContact O-N 3.22Å; R84-H87 VanDerWaalsContact CA-O 3.28Å; R84-H87 WeakPolarHBondContact CA-O 3.46Å; H87-A89 PolarHBondContact ND1-N 3.3Å; H87-A89 PolarHBondContact O-N 3.17Å; H87-G90 WeakPolarHBondContact O-CA 3.26Å; H87-G90 PolarHBondContact O-N 3.04Å; H87-L325 HydrophobicContact CB-CB 4.35Å; H87-L325 WeakPolarHBondContact CB-O 3.5Å | ||
| 88 | P | 98.3 | Very high | 98.6 | Very high | 105 Ų | 105 | 20.1 Ų | 20.1 | 68% | 0.682 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.9 | -175 | -29.7 | 35.8 | 0 | 0 | 0 | 115.7 | R84 | R84-P88 WeakPolarHBondContact CD-O 3.21Å; R84-P88 WeakPolarHBondContact CG-O 3.4Å |
| 89 | A | 98.2 | Very high | 98.6 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 19% | 0.19 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -21.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H87 E91 T92 A93 | H87-A89 PolarHBondContact ND1-N 3.3Å; H87-A89 PolarHBondContact O-N 3.17Å; A89-E91 PolarHBondContact O-N 3.26Å; A89-T92 PolarHBondContact O-N 3.31Å; A89-T92 VanDerWaalsContact O-N 3.12Å; A89-T92 PolarHBondContact O-OG1 3.06Å; A89-A93 HydrophobicContact CB-CB 3.65Å; A89-A93 PolarHBondContact O-N 3.48Å |
| 90 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | 40.5 | -124.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | H87 T92 A93 T94 | H87-G90 WeakPolarHBondContact O-CA 3.26Å; H87-G90 PolarHBondContact O-N 3.04Å; G90-T92 PolarHBondContact O-N 3.06Å; G90-A93 WeakPolarHBondContact O-CB 3.48Å; G90-A93 PolarHBondContact O-N 3.38Å; G90-A93 VanDerWaalsContact O-N 3.14Å; G90-T94 PolarHBondContact O-N 3.33Å; G90-T94 PolarHBondContact O-OG1 3.08Å |
| 91 | E | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.5 | -27.9 | -174.9 | -61.6 | 82.6 | -180 | 0 | 0 | 113.6 | Q83 A89 T94 A95 M105 L107 A111 T112 S113 V118 | Q83-E91 HydrophobicContact CB-CG 3.99Å; Q83-E91 HydrophobicContact CG-CG 3.96Å; Q83-E91 PolarHBondContact N-OE1 2.94Å; Q83-E91 VanDerWaalsContact OE1-CA 3.28Å; A89-E91 PolarHBondContact O-N 3.26Å; E91-T94 PolarHBondContact O-N 3.34Å; E91-A95 WeakPolarHBondContact O-CB 3.45Å; E91-A95 PolarHBondContact O-N 3.07Å; E91-M105 HydrophobicContact CB-CE 3.94Å; E91-M105 HydrophobicContact CG-CE 4.35Å; E91-L107 HydrophobicContact CB-CD1 4Å; E91-L107 HydrophobicContact CG-CD1 3.78Å; E91-A111 HydrophobicContact CG-CB 3.94Å; E91-A111 WeakPolarHBondContact OE1-CA 3.33Å; E91-T112 VanDerWaalsContact CD-OG1 3.31Å; E91-T112 PolarHBondContact OE1-N 3.23Å; E91-T112 PolarHBondContact OE1-OG1 3.06Å; E91-T112 PolarHBondContact OE2-N 3.02Å; E91-T112 PolarHBondContact OE2-OG1 3.47Å; E91-S113 WeakPolarHBondContact OE2-CB 3.05Å; E91-S113 PolarHBondContact OE2-N 3.2Å; E91-S113 VanDerWaalsContact OE2-N 3.11Å; E91-S113 PolarHBondContact OE2-OG 3.15Å; E91-V118 HydrophobicContact CB-CG2 3.65Å |
| 92 | T | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 22.5 Ų | 22.5 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.6 | -40.6 | 176.9 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | A89 G90 A95 R96 E117 A121 | A89-T92 PolarHBondContact O-N 3.31Å; A89-T92 VanDerWaalsContact O-N 3.12Å; A89-T92 PolarHBondContact O-OG1 3.06Å; G90-T92 PolarHBondContact O-N 3.06Å; T92-A95 PolarHBondContact O-N 2.83Å; T92-R96 WeakPolarHBondContact O-CG 3.49Å; T92-R96 PolarHBondContact O-N 2.99Å; T92-R96 VanDerWaalsContact O-N 3.11Å; T92-E117 HydrophobicContact CG2-CB 4.48Å; T92-A121 HydrophobicContact CG2-CB 4.09Å |
| 93 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | A89 G90 A95 R96 A97 L325 E330 | A89-A93 HydrophobicContact CB-CB 3.65Å; A89-A93 PolarHBondContact O-N 3.48Å; G90-A93 WeakPolarHBondContact O-CB 3.48Å; G90-A93 PolarHBondContact O-N 3.38Å; G90-A93 VanDerWaalsContact O-N 3.14Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 2.83Å; A93-R96 PolarHBondContact O-N 3.27Å; A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 2.77Å; A93-L325 HydrophobicContact CB-CD2 3.87Å; A93-E330 HydrophobicContact CB-CB 3.78Å |
| 94 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -42 | 176.2 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | V77 Q83 G90 E91 A97 C98 M105 V321 L325 | V77-T94 HydrophobicContact CG1-CG2 3.78Å; V77-T94 HydrophobicContact CG2-CG2 4.44Å; Q83-T94 PolarHBondContact OE1-OG1 2.94Å; G90-T94 PolarHBondContact O-N 3.33Å; G90-T94 PolarHBondContact O-OG1 3.08Å; E91-T94 PolarHBondContact O-N 3.34Å; T94-A97 PolarHBondContact O-N 2.86Å; T94-C98 PolarHBondContact O-N 3.22Å; T94-C98 PolarHBondContact O-SG 3.37Å; T94-M105 HydrophobicContact CG2-CE 3.85Å; T94-M105 HydrophobicContact CG2-CG 4.29Å; T94-M105 HydrophobicContact CG2-SD 3.71Å; T94-V321 HydrophobicContact CG2-CG1 3.68Å; T94-L325 WeakPolarHBondContact OG1-CD1 3.42Å |
| 95 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E91 T92 A93 C98 K99 M105 V118 M122 | E91-A95 WeakPolarHBondContact O-CB 3.45Å; E91-A95 PolarHBondContact O-N 3.07Å; T92-A95 PolarHBondContact O-N 2.83Å; A93-A95 VanDerWaalsContact C-N 3.33Å; A93-A95 PolarHBondContact O-N 2.83Å; A95-C98 PolarHBondContact O-N 2.92Å; A95-K99 PolarHBondContact O-N 3.47Å; A95-M105 VanDerWaalsContact CA-SD 3.6Å; A95-M105 HydrophobicContact CB-SD 3.78Å; A95-V118 HydrophobicContact CB-CG1 3.85Å; A95-M122 HydrophobicContact CB-CB 4.29Å; A95-M122 HydrophobicContact CB-CE 4.18Å; A95-M122 VanDerWaalsContact O-CE 3.26Å; A95-M122 WeakPolarHBondContact O-CE 3.35Å |
| 96 | R | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 19 Ų | 19 | 25% | 0.245 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.8 | -61.4 | -160.1 | -71.8 | -90.3 | -11 | 112.3 | T92 A93 C98 K99 A100 A121 S125 E330 | T92-R96 WeakPolarHBondContact O-CG 3.49Å; T92-R96 PolarHBondContact O-N 2.99Å; T92-R96 VanDerWaalsContact O-N 3.11Å; A93-R96 PolarHBondContact O-N 3.27Å; R96-C98 PolarHBondContact O-N 3.43Å; R96-K99 VanDerWaalsContact O-CB 3.27Å; R96-K99 WeakPolarHBondContact O-CB 3.42Å; R96-K99 PolarHBondContact O-N 3.26Å; R96-A100 PolarHBondContact O-N 2.82Å; R96-A121 HydrophobicContact CG-CB 4.14Å; R96-S125 WeakPolarHBondContact CD-OG 3.44Å; R96-S125 WeakPolarHBondContact CG-OG 3.4Å; R96-E330 VanDerWaalsContact CB-CD 3.48Å; R96-E330 HydrophobicContact CB-CG 4.14Å; R96-E330 VanDerWaalsContact CB-OE1 3.23Å; R96-E330 WeakPolarHBondContact CB-OE1 3.34Å; R96-E330 IonicContact CZ-OE2 3.66Å; R96-E330 VanDerWaalsContact CZ-OE2 3.25Å; R96-E330 IonicContact NE-OE1 3.58Å; R96-E330 IonicContact NE-OE2 3.59Å; R96-E330 PolarHBondContact NE-OE2 3.48Å; R96-E330 IonicContact NH2-OE2 2.84Å; R96-E330 PolarHBondContact NH2-OE2 3Å |
| 97 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A93 T94 K99 A100 V101 E330 V333 T334 | A93-A97 WeakPolarHBondContact O-CB 3.47Å; A93-A97 PolarHBondContact O-N 2.77Å; T94-A97 PolarHBondContact O-N 2.86Å; A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 2.91Å; A97-A100 PolarHBondContact O-N 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 2.91Å; A97-E330 HydrophobicContact CB-CG 4.47Å; A97-V333 HydrophobicContact CB-CB 3.72Å; A97-V333 HydrophobicContact CB-CG1 3.51Å; A97-T334 WeakPolarHBondContact CA-OG1 3.48Å; A97-T334 VanDerWaalsContact CB-OG1 3.28Å; A97-T334 WeakPolarHBondContact CB-OG1 3.38Å |
| 98 | C | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -37 | 175.8 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | V77 T94 A95 R96 G102 T103 M105 M122 | V77-C98 WeakPolarHBondContact CG2-SG 3.28Å; T94-C98 PolarHBondContact O-N 3.22Å; T94-C98 PolarHBondContact O-SG 3.37Å; A95-C98 PolarHBondContact O-N 2.92Å; R96-C98 PolarHBondContact O-N 3.43Å; C98-G102 WeakPolarHBondContact O-CA 3.47Å; C98-G102 PolarHBondContact O-N 3.36Å; C98-T103 HydrophobicContact CB-CG2 4.2Å; C98-T103 PolarHBondContact O-N 2.96Å; C98-M105 HydrophobicContact CB-CB 4.23Å; C98-M122 HydrophobicContact CB-CE 4.08Å |
| 99 | K | 97.9 | Very high | 98.4 | Very high | 31 Ų | 31 | 10.9 Ų | 10.9 | 14% | 0.135 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 172.9 | -175.7 | 65.3 | 173.6 | 178 | 0 | 111.4 | A95 R96 A97 G102 M122 G127 G129 | A95-K99 PolarHBondContact O-N 3.47Å; R96-K99 VanDerWaalsContact O-CB 3.27Å; R96-K99 WeakPolarHBondContact O-CB 3.42Å; R96-K99 PolarHBondContact O-N 3.26Å; A97-K99 VanDerWaalsContact C-N 3.3Å; A97-K99 PolarHBondContact O-N 2.91Å; K99-G102 PolarHBondContact O-N 2.99Å; K99-M122 HydrophobicContact CB-SD 3.62Å; K99-M122 WeakPolarHBondContact CD-O 3.41Å; K99-M122 HydrophobicContact CD-SD 3.79Å; K99-M122 HydrophobicContact CG-SD 4.22Å; K99-G127 WeakPolarHBondContact CE-O 3.33Å; K99-G127 PolarHBondContact NZ-O 3.36Å; K99-G129 WeakPolarHBondContact CD-O 3.41Å; K99-G129 WeakPolarHBondContact CE-O 3.25Å; K99-G129 PolarHBondContact NZ-O 2.71Å |
| 100 | A | 97.1 | Very high | 98.4 | Very high | 63 Ų | 63 | 10.1 Ų | 10.1 | 52% | 0.521 | 6% | 0.06 | S | C | . | . | H | α-helix | trans | -61.5 | -45.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R96 A97 G102 | R96-A100 PolarHBondContact O-N 2.82Å; A97-A100 PolarHBondContact O-N 3.39Å; A100-G102 VanDerWaalsContact C-N 3.31Å; A100-G102 PolarHBondContact O-N 3.28Å |
| 101 | V | 97.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 10.1 Ų | 10.1 | 2% | 0.024 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -78.2 | -17.5 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | S72 M73 A97 T334 L337 E338 K341 | S72-V101 WeakPolarHBondContact CB-O 3.3Å; S72-V101 PolarHBondContact OG-O 2.82Å; M73-V101 HydrophobicContact CE-CG1 3.75Å; A97-V101 WeakPolarHBondContact O-CG2 3.37Å; A97-V101 PolarHBondContact O-N 2.91Å; V101-T334 HydrophobicContact CG2-CG2 4.09Å; V101-L337 HydrophobicContact CB-CB 4.37Å; V101-L337 HydrophobicContact CB-CD1 4.5Å; V101-L337 HydrophobicContact CG1-CB 4.17Å; V101-L337 HydrophobicContact CG2-CB 3.86Å; V101-L337 HydrophobicContact CG2-CD1 4.28Å; V101-E338 HydrophobicContact CG2-CG 4.01Å; V101-K341 HydrophobicContact CG1-CD 3.96Å |
| 102 | G | 97.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 10 Ų | 10 | 13% | 0.134 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 36.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | S72 C98 K99 A100 | S72-G102 PolarHBondContact N-O 3.29Å; S72-G102 PolarHBondContact OG-O 2.81Å; C98-G102 WeakPolarHBondContact O-CA 3.47Å; C98-G102 PolarHBondContact O-N 3.36Å; K99-G102 PolarHBondContact O-N 2.99Å; A100-G102 VanDerWaalsContact C-N 3.31Å; A100-G102 PolarHBondContact O-N 3.28Å |
| 103 | T | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -120.8 | 177 | 178.7 | -163.7 | 0 | 0 | 0 | 0 | 113.2 | M73 L75 C98 G130 V131 L337 | M73-T103 HydrophobicContact CE-CG2 4.31Å; L75-T103 PolarHBondContact O-OG1 2.8Å; C98-T103 HydrophobicContact CB-CG2 4.2Å; C98-T103 PolarHBondContact O-N 2.96Å; T103-G130 WeakPolarHBondContact O-CA 3.35Å; T103-V131 PolarHBondContact O-N 3.4Å; T103-L337 HydrophobicContact CG2-CD1 4.33Å | ||
| 104 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 149.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | V77 V131 | V77-G104 PolarHBondContact N-O 3.05Å; G104-V131 CarbonylContact C-O 3.42Å; G104-V131 VanDerWaalsContact CA-O 3.24Å; G104-V131 WeakPolarHBondContact CA-O 3.5Å |
| 105 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.8 | 170.9 | 169.8 | -174.9 | -177.9 | 0 | 0 | 110.5 | V77 E91 T94 A95 C98 L107 V118 V131 L132 W133 | V77-M105 HydrophobicContact CB-CB 4.3Å; V77-M105 HydrophobicContact CB-CG 4.45Å; V77-M105 HydrophobicContact CG1-CG 4.24Å; E91-M105 HydrophobicContact CB-CE 3.94Å; E91-M105 HydrophobicContact CG-CE 4.35Å; T94-M105 HydrophobicContact CG2-CE 3.85Å; T94-M105 HydrophobicContact CG2-CG 4.29Å; T94-M105 HydrophobicContact CG2-SD 3.71Å; A95-M105 VanDerWaalsContact CA-SD 3.6Å; A95-M105 HydrophobicContact CB-SD 3.78Å; C98-M105 HydrophobicContact CB-CB 4.23Å; M105-L107 HydrophobicContact CE-CD1 4.04Å; M105-V118 HydrophobicContact CE-CG1 4.32Å; M105-V118 HydrophobicContact SD-CG1 4.29Å; M105-V131 PolarHBondContact N-O 3.48Å; M105-L132 HydrophobicContact CB-CD2 3.84Å; M105-L132 HydrophobicContact CG-CD2 4.03Å; M105-L132 WeakPolarHBondContact O-CA 3.29Å; M105-L132 HydrophobicContact SD-CD2 4Å; M105-W133 PolarHBondContact O-N 3.13Å |
| 106 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.7 | 169.6 | -175.8 | 168.4 | 56.3 | 0 | 0 | 109.9 | V77 S79 W133 Q135 F161 K240 L260 F316 | V77-M106 WeakPolarHBondContact O-CB 3.33Å; V77-M106 PolarHBondContact O-N 3.15Å; S79-M106 VanDerWaalsContact CA-O 3.24Å; S79-M106 WeakPolarHBondContact CA-O 3.42Å; S79-M106 PolarHBondContact N-O 2.99Å; M106-W133 CarbonylContact C-O 3.59Å; M106-W133 WeakPolarHBondContact CA-O 3.46Å; M106-Q135 HydrophobicContact CG-CB 3.89Å; M106-Q135 HydrophobicContact SD-CB 4.08Å; M106-F161 HydrophobicContact CE-CD1 4.48Å; M106-F161 HydrophobicContact CG-CB 4.45Å; M106-F161 HydrophobicContact CG-CD2 4.39Å; M106-F161 HydrophobicContact CG-CG 4.42Å; M106-F161 HydrophobicContact SD-CB 3.28Å; M106-F161 WeakPolarHBondContact SD-CB 3.27Å; M106-F161 HydrophobicContact SD-CD1 3.52Å; M106-F161 VanDerWaalsContact SD-CD1 3.52Å; M106-F161 HydrophobicContact SD-CD2 3.69Å; M106-F161 HydrophobicContact SD-CE1 4.21Å; M106-F161 HydrophobicContact SD-CE2 4.37Å; M106-F161 HydrophobicContact SD-CG 3.21Å; M106-F161 WeakPolarHBondContact SD-CG 3.49Å; M106-K240 HydrophobicContact CE-CD 4.25Å; M106-L260 HydrophobicContact CE-CD2 3.96Å; M106-F316 HydrophobicContact CB-CE1 4.34Å; M106-F316 HydrophobicContact CE-CD1 4.26Å |
| 107 | L | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135.9 | 177.7 | -177.8 | 63.5 | 0 | 0 | 0 | 110.8 | E91 M105 A111 I115 V118 W133 M134 Q135 Y157 | E91-L107 HydrophobicContact CB-CD1 4Å; E91-L107 HydrophobicContact CG-CD1 3.78Å; M105-L107 HydrophobicContact CE-CD1 4.04Å; L107-A111 HydrophobicContact CD1-CB 3.53Å; L107-A111 HydrophobicContact CG-CB 4.14Å; L107-I115 HydrophobicContact CD2-CG1 4.29Å; L107-V118 HydrophobicContact CD1-CG1 4.31Å; L107-V118 HydrophobicContact CD1-CG2 3.91Å; L107-V118 HydrophobicContact CD2-CB 4.12Å; L107-V118 HydrophobicContact CD2-CG1 4.33Å; L107-V118 HydrophobicContact CD2-CG2 4.06Å; L107-W133 PolarHBondContact N-O 2.66Å; L107-M134 HydrophobicContact CB-SD 4.05Å; L107-M134 HydrophobicContact CD2-SD 4.05Å; L107-M134 HydrophobicContact CG-SD 4.11Å; L107-Q135 WeakPolarHBondContact O-CB 3.44Å; L107-Q135 PolarHBondContact O-N 3.2Å; L107-Y157 HydrophobicContact CB-CE1 3.93Å; L107-Y157 HydrophobicContact CD2-CE1 4.12Å; L107-Y157 WeakPolarHBondContact CD2-OH 3.43Å |
| 108 | S | 98.9 | Very high | 98.4 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 4% | 0.042 | 8% | 0.082 | C | C | . | . | trans | -74.2 | 143.6 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | W110 A111 | S108-W110 PolarHBondContact O-N 2.82Å; S108-W110 PolarHBondContact OG-N 3.03Å; S108-W110 VanDerWaalsContact OG-N 3.11Å; S108-A111 VanDerWaalsContact O-CB 3.28Å; S108-A111 WeakPolarHBondContact O-CB 3.39Å; S108-A111 PolarHBondContact O-N 3.48Å | ||
| 109 | S | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.7 | 164.5 | -72.5 | 0 | 0 | 0 | 0 | 112.2 | A111 Q135 L136 N190 F191 | S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 3.17Å; S109-Q135 PolarHBondContact N-O 3.35Å; S109-Q135 VanDerWaalsContact N-OE1 3.15Å; S109-Q135 PolarHBondContact OG-O 3.43Å; S109-Q135 PolarHBondContact OG-OE1 3.28Å; S109-L136 WeakPolarHBondContact OG-CA 3.45Å; S109-N190 PolarHBondContact O-ND2 2.8Å; S109-F191 VanDerWaalsContact O-CE2 3.3Å; S109-F191 WeakPolarHBondContact O-CE2 3.48Å |
| 110 | W | 98.2 | Very high | 98.4 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 36.4 | 178.9 | -57.9 | -20.3 | 0 | 0 | 0 | 113.2 | A81 M82 S108 Y137 Y139 M188 L209 Y212 V213 I217 | A81-W110 HydrophobicContact CB-CB 3.75Å; A81-W110 HydrophobicContact CB-CE3 4.29Å; M82-W110 PolarHBondContact N-O 2.83Å; M82-W110 VanDerWaalsContact N-O 3.07Å; S108-W110 PolarHBondContact O-N 2.82Å; S108-W110 PolarHBondContact OG-N 3.03Å; S108-W110 VanDerWaalsContact OG-N 3.11Å; W110-Y137 HydrophobicContact CD2-CD2 4.3Å; W110-Y137 AromaticContact CD2-CE2 3.87Å; W110-Y137 HydrophobicContact CD2-CE2 3.87Å; W110-Y137 AromaticContact CE2-CD2 3.65Å; W110-Y137 AromaticContact CE2-CE2 3.55Å; W110-Y137 AromaticContact CE3-CE2 3.99Å; W110-Y137 HydrophobicContact CE3-CE2 3.99Å; W110-Y137 HydrophobicContact CH2-CD2 4.19Å; W110-Y137 AromaticContact CH2-CE2 3.48Å; W110-Y137 HydrophobicContact CH2-CE2 3.48Å; W110-Y137 VanDerWaalsContact CH2-CE2 3.48Å; W110-Y137 AromaticContact CH2-CZ 3.77Å; W110-Y137 AromaticContact CZ2-CD2 3.61Å; W110-Y137 HydrophobicContact CZ2-CD2 3.61Å; W110-Y137 AromaticContact CZ2-CE2 3.37Å; W110-Y137 HydrophobicContact CZ2-CE2 3.37Å; W110-Y137 HydrophobicContact CZ2-CG 4.42Å; W110-Y137 AromaticContact CZ3-CE2 3.81Å; W110-Y137 HydrophobicContact CZ3-CE2 3.81Å; W110-Y137 AromaticContact NE1-CD2 3.86Å; W110-Y139 VanDerWaalsContact CD1-OH 3.26Å; W110-Y139 AromaticContact NE1-CZ 3.95Å; W110-Y139 PolarHBondContact NE1-OH 3.32Å; W110-M188 HydrophobicContact CB-CE 3.77Å; W110-M188 HydrophobicContact CB-CG 4.24Å; W110-M188 HydrophobicContact CB-SD 3.63Å; W110-M188 VanDerWaalsContact CD1-SD 3.52Å; W110-M188 HydrophobicContact CD2-CE 4.13Å; W110-M188 HydrophobicContact CD2-SD 4.47Å; W110-M188 HydrophobicContact CG-CE 3.75Å; W110-M188 HydrophobicContact CG-SD 3.6Å; W110-M188 VanDerWaalsContact CG-SD 3.6Å; W110-L209 HydrophobicContact CE3-CD1 4.11Å; W110-L209 HydrophobicContact CZ3-CD1 4.02Å; W110-L209 HydrophobicContact CZ3-CD2 4.43Å; W110-L209 HydrophobicContact CZ3-CG 4.49Å; W110-Y212 HydrophobicContact CD2-CE1 4.45Å; W110-Y212 AromaticContact CE2-CE1 3.63Å; W110-Y212 HydrophobicContact CZ2-CD1 4.22Å; W110-Y212 AromaticContact CZ2-CE1 3.85Å; W110-Y212 HydrophobicContact CZ2-CE1 3.85Å; W110-Y212 AromaticContact NE1-CE1 3.42Å; W110-Y212 AromaticContact NE1-CZ 3.95Å; W110-V213 HydrophobicContact CH2-CG2 3.29Å; W110-V213 HydrophobicContact CZ2-CG2 3.71Å; W110-V213 HydrophobicContact CZ3-CG2 4.25Å; W110-I217 HydrophobicContact CZ2-CD1 4.07Å; W110-I217 HydrophobicContact CZ2-CG1 4.12Å |
| 111 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -71.9 | 147.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E91 L107 S108 S109 S113 M188 S189 | E91-A111 HydrophobicContact CG-CB 3.94Å; E91-A111 WeakPolarHBondContact OE1-CA 3.33Å; L107-A111 HydrophobicContact CD1-CB 3.53Å; L107-A111 HydrophobicContact CG-CB 4.14Å; S108-A111 VanDerWaalsContact O-CB 3.28Å; S108-A111 WeakPolarHBondContact O-CB 3.39Å; S108-A111 PolarHBondContact O-N 3.48Å; S109-A111 VanDerWaalsContact C-N 3.3Å; S109-A111 PolarHBondContact O-N 3.17Å; A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 VanDerWaalsContact CB-O 3.25Å; A111-S113 WeakPolarHBondContact CB-O 3.45Å; A111-M188 CarbonylContact O-C 3.47Å; A111-M188 WeakPolarHBondContact O-CA 3.38Å; A111-S189 PolarHBondContact O-N 3.36Å | ||
| 112 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -85.5 | 2.6 | 171.4 | 38.5 | 0 | 0 | 0 | 0 | 113.6 | M82 Q83 R84 E91 M182 L186 R187 S189 | M82-T112 HydrophobicContact CB-CG2 4Å; M82-T112 HydrophobicContact CG-CG2 4.35Å; Q83-T112 PolarHBondContact N-OG1 3.29Å; R84-T112 HydrophobicContact CB-CG2 4.28Å; R84-T112 VanDerWaalsContact CB-OG1 3.27Å; R84-T112 WeakPolarHBondContact CB-OG1 3.35Å; R84-T112 VanDerWaalsContact CG-OG1 3.32Å; R84-T112 WeakPolarHBondContact CG-OG1 3.41Å; R84-T112 PolarHBondContact N-OG1 2.93Å; R84-T112 PolarHBondContact NE-O 3.23Å; E91-T112 VanDerWaalsContact CD-OG1 3.31Å; E91-T112 PolarHBondContact OE1-N 3.23Å; E91-T112 PolarHBondContact OE1-OG1 3.06Å; E91-T112 PolarHBondContact OE2-N 3.02Å; E91-T112 PolarHBondContact OE2-OG1 3.47Å; T112-M182 HydrophobicContact CG2-CE 3.99Å; T112-M182 HydrophobicContact CG2-SD 4.1Å; T112-L186 HydrophobicContact CG2-CB 4.29Å; T112-R187 WeakPolarHBondContact CA-O 3.38Å; T112-R187 WeakPolarHBondContact CG2-O 3.5Å; T112-S189 PolarHBondContact O-OG 3.04Å |
| 113 | S | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -127.9 | 144.7 | 168.6 | -42.8 | 0 | 0 | 0 | 0 | 108.2 | R84 E91 A111 E117 | R84-S113 PolarHBondContact NE-OG 3.46Å; R84-S113 PolarHBondContact NH2-OG 3.26Å; R84-S113 VanDerWaalsContact NH2-OG 3.17Å; E91-S113 WeakPolarHBondContact OE2-CB 3.05Å; E91-S113 PolarHBondContact OE2-N 3.2Å; E91-S113 VanDerWaalsContact OE2-N 3.11Å; E91-S113 PolarHBondContact OE2-OG 3.15Å; A111-S113 VanDerWaalsContact C-N 3.27Å; A111-S113 VanDerWaalsContact CB-O 3.25Å; A111-S113 WeakPolarHBondContact CB-O 3.45Å; S113-E117 VanDerWaalsContact CA-OE2 3.23Å; S113-E117 WeakPolarHBondContact CA-OE2 3.25Å; S113-E117 WeakPolarHBondContact CB-OE2 3.27Å |
| 114 | S | 98.7 | Very high | 98.2 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | trans | -72.6 | 161.1 | -175.5 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | E116 E117 V118 N190 | S114-E116 PolarHBondContact O-N 3.17Å; S114-E116 PolarHBondContact OG-N 2.86Å; S114-E116 PolarHBondContact OG-OE2 2.74Å; S114-E117 PolarHBondContact N-OE2 2.85Å; S114-E117 PolarHBondContact O-N 3.39Å; S114-E117 WeakPolarHBondContact OG-CG 3.35Å; S114-E117 PolarHBondContact OG-N 2.85Å; S114-E117 VanDerWaalsContact OG-N 3.1Å; S114-V118 WeakPolarHBondContact O-CG2 3.35Å; S114-V118 PolarHBondContact O-N 3.4Å; S114-N190 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 115 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -44.7 | -46.6 | 170.2 | -71.8 | 165.4 | 0 | 0 | 0 | 111.2 | L107 M119 M134 L148 R151 A155 Y157 N190 | L107-I115 HydrophobicContact CD2-CG1 4.29Å; I115-M119 PolarHBondContact O-N 3.2Å; I115-M134 HydrophobicContact CD1-CE 3.95Å; I115-M134 HydrophobicContact CD1-SD 4.41Å; I115-M134 HydrophobicContact CG1-CE 3.95Å; I115-M134 HydrophobicContact CG1-SD 4.03Å; I115-L148 HydrophobicContact CD1-CD2 4.06Å; I115-R151 HydrophobicContact CD1-CB 3.9Å; I115-R151 HydrophobicContact CG2-CB 4.43Å; I115-A155 HydrophobicContact CG2-CB 3.85Å; I115-Y157 HydrophobicContact CB-CE2 4.37Å; I115-Y157 HydrophobicContact CG2-CD2 3.95Å; I115-Y157 HydrophobicContact CG2-CE2 3.37Å; I115-Y157 WeakPolarHBondContact O-CE2 3.41Å; I115-Y157 PolarHBondContact O-OH 3.08Å; I115-N190 WeakPolarHBondContact CG1-OD1 3.42Å; I115-N190 PolarHBondContact N-OD1 3.37Å |
| 116 | E | 98.7 | Very high | 97 | Very high | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74.8 | -41.1 | -176.3 | -60.5 | 78 | -171.1 | 0 | 0 | 112.6 | S114 V118 M119 S120 R151 | S114-E116 PolarHBondContact O-N 3.17Å; S114-E116 PolarHBondContact OG-N 2.86Å; S114-E116 PolarHBondContact OG-OE2 2.74Å; E116-V118 VanDerWaalsContact C-N 3.31Å; E116-V118 PolarHBondContact O-N 2.88Å; E116-M119 PolarHBondContact O-N 3.25Å; E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 3.29Å; E116-R151 IonicContact OE1-CZ 3.32Å; E116-R151 IonicContact OE1-NE 3.17Å; E116-R151 PolarHBondContact OE1-NE 3.41Å; E116-R151 IonicContact OE1-NH2 3.8Å; E116-R151 PolarHBondContact OE1-NH2 3.13Å; E116-R151 IonicContact OE2-CZ 2.85Å; E116-R151 IonicContact OE2-NE 2.66Å; E116-R151 IonicContact OE2-NH2 3.73Å; E116-R151 PolarHBondContact OE2-NH2 3.47Å |
| 117 | E | 98.7 | Very high | 96.1 | Very high | 80 Ų | 80 | 31.7 Ų | 31.7 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 176.5 | -74.7 | 176.7 | 144.7 | 0 | 0 | 111.2 | R84 T92 S113 S114 S120 A121 | R84-E117 IonicContact NH2-OE2 3.48Å; T92-E117 HydrophobicContact CG2-CB 4.48Å; S113-E117 VanDerWaalsContact CA-OE2 3.23Å; S113-E117 WeakPolarHBondContact CA-OE2 3.25Å; S113-E117 WeakPolarHBondContact CB-OE2 3.27Å; S114-E117 PolarHBondContact N-OE2 2.85Å; S114-E117 PolarHBondContact O-N 3.39Å; S114-E117 WeakPolarHBondContact OG-CG 3.35Å; S114-E117 PolarHBondContact OG-N 2.85Å; S114-E117 VanDerWaalsContact OG-N 3.1Å; E117-S120 PolarHBondContact O-N 3.32Å; E117-A121 WeakPolarHBondContact O-CB 3.35Å; E117-A121 PolarHBondContact O-N 2.78Å |
| 118 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | E91 A95 M105 L107 S114 E116 A121 M122 L132 | E91-V118 HydrophobicContact CB-CG2 3.65Å; A95-V118 HydrophobicContact CB-CG1 3.85Å; M105-V118 HydrophobicContact CE-CG1 4.32Å; M105-V118 HydrophobicContact SD-CG1 4.29Å; L107-V118 HydrophobicContact CD1-CG1 4.31Å; L107-V118 HydrophobicContact CD1-CG2 3.91Å; L107-V118 HydrophobicContact CD2-CB 4.12Å; L107-V118 HydrophobicContact CD2-CG1 4.33Å; L107-V118 HydrophobicContact CD2-CG2 4.06Å; S114-V118 WeakPolarHBondContact O-CG2 3.35Å; S114-V118 PolarHBondContact O-N 3.4Å; E116-V118 VanDerWaalsContact C-N 3.31Å; E116-V118 PolarHBondContact O-N 2.88Å; V118-A121 PolarHBondContact O-N 3.11Å; V118-M122 PolarHBondContact O-N 2.88Å; V118-L132 HydrophobicContact CG1-CD1 4.1Å; V118-L132 HydrophobicContact CG1-CD2 3.97Å |
| 119 | M | 98.4 | Very high | 94 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 174 | 179.8 | 61.5 | 67.1 | 0 | 0 | 112.1 | I115 E116 A121 M122 T123 L132 A155 Y157 | I115-M119 PolarHBondContact O-N 3.2Å; E116-M119 PolarHBondContact O-N 3.25Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 2.61Å; M119-M122 PolarHBondContact O-N 3.45Å; M119-T123 HydrophobicContact CG-CG2 4.32Å; M119-T123 WeakPolarHBondContact O-CB 3.18Å; M119-T123 WeakPolarHBondContact O-CG2 3.17Å; M119-T123 PolarHBondContact O-N 3.01Å; M119-T123 PolarHBondContact O-OG1 2.85Å; M119-T123 HydrophobicContact SD-CG2 3.7Å; M119-L132 HydrophobicContact CB-CD1 4.22Å; M119-L132 HydrophobicContact CE-CB 4.06Å; M119-L132 HydrophobicContact CE-CD1 3.68Å; M119-L132 HydrophobicContact CE-CG 4.44Å; M119-L132 HydrophobicContact SD-CD1 3.93Å; M119-A155 HydrophobicContact CB-CB 4.25Å; M119-A155 WeakPolarHBondContact CE-O 3.45Å; M119-A155 HydrophobicContact CG-CB 4.3Å; M119-A155 VanDerWaalsContact CG-O 3.23Å; M119-A155 WeakPolarHBondContact CG-O 3.48Å; M119-Y157 HydrophobicContact CB-CE2 4.11Å; M119-Y157 HydrophobicContact CE-CD2 3.63Å; M119-Y157 HydrophobicContact CE-CE2 3.76Å; M119-Y157 HydrophobicContact CE-CG 4.24Å |
| 120 | S | 98.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 176 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | E116 E117 T123 S124 | E116-S120 WeakPolarHBondContact O-CB 3.39Å; E116-S120 PolarHBondContact O-N 3.29Å; E117-S120 PolarHBondContact O-N 3.32Å; S120-T123 PolarHBondContact O-N 2.96Å; S120-T123 PolarHBondContact O-OG1 3.03Å; S120-S124 VanDerWaalsContact O-CB 3.23Å; S120-S124 WeakPolarHBondContact O-CB 3.22Å; S120-S124 PolarHBondContact O-N 2.77Å; S120-S124 PolarHBondContact O-OG 2.85Å |
| 121 | A | 98.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T92 R96 E117 V118 M119 T123 S125 | T92-A121 HydrophobicContact CG2-CB 4.09Å; R96-A121 HydrophobicContact CG-CB 4.14Å; E117-A121 WeakPolarHBondContact O-CB 3.35Å; E117-A121 PolarHBondContact O-N 2.78Å; V118-A121 PolarHBondContact O-N 3.11Å; M119-A121 VanDerWaalsContact C-N 3.32Å; M119-A121 PolarHBondContact O-N 2.61Å; A121-T123 VanDerWaalsContact C-N 3.35Å; A121-T123 PolarHBondContact O-N 3.02Å; A121-S125 WeakPolarHBondContact O-CB 3.32Å; A121-S125 PolarHBondContact O-N 2.85Å; A121-S125 PolarHBondContact O-OG 2.99Å |
| 122 | M | 96.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.2 | 177.3 | 66.2 | 75.7 | 0 | 0 | 112.4 | A95 C98 K99 V118 M119 L132 | A95-M122 HydrophobicContact CB-CB 4.29Å; A95-M122 HydrophobicContact CB-CE 4.18Å; A95-M122 VanDerWaalsContact O-CE 3.26Å; A95-M122 WeakPolarHBondContact O-CE 3.35Å; C98-M122 HydrophobicContact CB-CE 4.08Å; K99-M122 HydrophobicContact CB-SD 3.62Å; K99-M122 WeakPolarHBondContact CD-O 3.41Å; K99-M122 HydrophobicContact CD-SD 3.79Å; K99-M122 HydrophobicContact CG-SD 4.22Å; V118-M122 PolarHBondContact O-N 2.88Å; M119-M122 PolarHBondContact O-N 3.45Å; M122-L132 HydrophobicContact CB-CD1 3.68Å; M122-L132 HydrophobicContact CB-CG 4.29Å; M122-L132 HydrophobicContact CE-CD1 4.42Å; M122-L132 HydrophobicContact CE-CD2 3.72Å; M122-L132 HydrophobicContact CE-CG 3.75Å; M122-L132 HydrophobicContact CG-CD1 3.95Å; M122-L132 HydrophobicContact CG-CG 4.1Å |
| 123 | T | 95.3 | Very high | 93.7 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 56% | 0.564 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -85.7 | -29.9 | -173.1 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | M119 S120 A121 S125 | M119-T123 HydrophobicContact CG-CG2 4.32Å; M119-T123 WeakPolarHBondContact O-CB 3.18Å; M119-T123 WeakPolarHBondContact O-CG2 3.17Å; M119-T123 PolarHBondContact O-N 3.01Å; M119-T123 PolarHBondContact O-OG1 2.85Å; M119-T123 HydrophobicContact SD-CG2 3.7Å; S120-T123 PolarHBondContact O-N 2.96Å; S120-T123 PolarHBondContact O-OG1 3.03Å; A121-T123 VanDerWaalsContact C-N 3.35Å; A121-T123 PolarHBondContact O-N 3.02Å; T123-S125 VanDerWaalsContact C-N 3.3Å |
| 124 | S | 94.1 | Very high | 93.7 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -79.4 | -13.1 | 176.5 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | S120 | S120-S124 VanDerWaalsContact O-CB 3.23Å; S120-S124 WeakPolarHBondContact O-CB 3.22Å; S120-S124 PolarHBondContact O-N 2.77Å; S120-S124 PolarHBondContact O-OG 2.85Å |
| 125 | S | 89.3 | Confident | 93.7 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -82.2 | 141.9 | -179.8 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | R96 A121 T123 | R96-S125 WeakPolarHBondContact CD-OG 3.44Å; R96-S125 WeakPolarHBondContact CG-OG 3.4Å; A121-S125 WeakPolarHBondContact O-CB 3.32Å; A121-S125 PolarHBondContact O-N 2.85Å; A121-S125 PolarHBondContact O-OG 2.99Å; T123-S125 VanDerWaalsContact C-N 3.3Å |
| 126 | P | 84 | Confident | 93.7 | Very high | 120 Ų | 120 | 39.5 Ų | 39.5 | 78% | 0.779 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -61.7 | 151 | 177.4 | 26.7 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 127 | G | 79.3 | Confident | 93.7 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 55% | 0.546 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 119.5 | 158.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | K99 | K99-G127 WeakPolarHBondContact CE-O 3.33Å; K99-G127 PolarHBondContact NZ-O 3.36Å |
| 128 | S | 70.6 | Confident | 93.6 | Very high | 131 Ų | 131 | 32.6 Ų | 32.6 | 92% | 0.916 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -103.8 | -2.6 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 129 | G | 82.9 | Confident | 93.5 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 26% | 0.258 | 23% | 0.232 | S | C | . | . | trans | -92.3 | -157 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K99 | K99-G129 WeakPolarHBondContact CD-O 3.41Å; K99-G129 WeakPolarHBondContact CE-O 3.25Å; K99-G129 PolarHBondContact NZ-O 2.71Å | ||
| 130 | G | 92.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | trans | 87.6 | 127 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T103 | T103-G130 WeakPolarHBondContact O-CA 3.35Š| ||
| 131 | V | 97.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.7 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 109 | H69 L71 T103 G104 M105 W133 K158 | H69-V131 HydrophobicContact CB-CG1 4.36Å; H69-V131 HydrophobicContact CB-CG2 3.66Å; L71-V131 HydrophobicContact CD2-CB 4.4Å; L71-V131 HydrophobicContact CD2-CG2 3.79Å; T103-V131 PolarHBondContact O-N 3.4Å; G104-V131 CarbonylContact C-O 3.42Å; G104-V131 VanDerWaalsContact CA-O 3.24Å; G104-V131 WeakPolarHBondContact CA-O 3.5Å; M105-V131 PolarHBondContact N-O 3.48Å; V131-W133 HydrophobicContact CB-CZ2 4.19Å; V131-W133 HydrophobicContact CG1-CD2 4.38Å; V131-W133 HydrophobicContact CG1-CZ2 3.86Å; V131-K158 HydrophobicContact CG1-CB 3.91Å; V131-K158 HydrophobicContact CG1-CG 3.72Å |
| 132 | L | 98.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131 | 173.6 | -73.5 | 172.8 | 0 | 0 | 0 | 111 | M105 V118 M119 M122 Y157 K158 | M105-L132 HydrophobicContact CB-CD2 3.84Å; M105-L132 HydrophobicContact CG-CD2 4.03Å; M105-L132 WeakPolarHBondContact O-CA 3.29Å; M105-L132 HydrophobicContact SD-CD2 4Å; V118-L132 HydrophobicContact CG1-CD1 4.1Å; V118-L132 HydrophobicContact CG1-CD2 3.97Å; M119-L132 HydrophobicContact CB-CD1 4.22Å; M119-L132 HydrophobicContact CE-CB 4.06Å; M119-L132 HydrophobicContact CE-CD1 3.68Å; M119-L132 HydrophobicContact CE-CG 4.44Å; M119-L132 HydrophobicContact SD-CD1 3.93Å; M122-L132 HydrophobicContact CB-CD1 3.68Å; M122-L132 HydrophobicContact CB-CG 4.29Å; M122-L132 HydrophobicContact CE-CD1 4.42Å; M122-L132 HydrophobicContact CE-CD2 3.72Å; M122-L132 HydrophobicContact CE-CG 3.75Å; M122-L132 HydrophobicContact CG-CD1 3.95Å; M122-L132 HydrophobicContact CG-CG 4.1Å; L132-Y157 HydrophobicContact CB-CD1 3.69Å; L132-Y157 HydrophobicContact CB-CE1 3.68Å; L132-Y157 HydrophobicContact CB-CG 4.25Å; L132-Y157 HydrophobicContact CD1-CE1 4.32Å; L132-Y157 HydrophobicContact CD2-CE1 4.49Å; L132-Y157 HydrophobicContact CG-CE1 4.39Å; L132-Y157 CarbonylContact O-C 3.49Å; L132-Y157 WeakPolarHBondContact O-CA 3.1Å; L132-K158 PolarHBondContact O-N 2.93Å |
| 133 | W | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 155.2 | 168.2 | -51.5 | -65 | 0 | 0 | 0 | 109.5 | V66 L71 C76 M105 M106 L107 V131 Y157 A159 F161 F316 | V66-W133 HydrophobicContact CB-CH2 4.27Å; V66-W133 HydrophobicContact CB-CZ2 4.13Å; V66-W133 HydrophobicContact CG1-CH2 3.78Å; V66-W133 HydrophobicContact CG1-CZ2 3.62Å; L71-W133 HydrophobicContact CD1-CH2 4.14Å; C76-W133 HydrophobicContact CB-CH2 4.49Å; C76-W133 HydrophobicContact CB-CZ3 3.95Å; M105-W133 PolarHBondContact O-N 3.13Å; M106-W133 CarbonylContact C-O 3.59Å; M106-W133 WeakPolarHBondContact CA-O 3.46Å; L107-W133 PolarHBondContact N-O 2.66Å; V131-W133 HydrophobicContact CB-CZ2 4.19Å; V131-W133 HydrophobicContact CG1-CD2 4.38Å; V131-W133 HydrophobicContact CG1-CZ2 3.86Å; W133-Y157 VanDerWaalsContact C-CD1 3.48Å; W133-A159 HydrophobicContact CB-CB 4.45Å; W133-A159 VanDerWaalsContact CD1-CB 3.41Å; W133-A159 HydrophobicContact CG-CB 4.16Å; W133-F161 HydrophobicContact CB-CD2 3.83Å; W133-F161 HydrophobicContact CB-CE2 3.64Å; W133-F161 HydrophobicContact CD2-CE2 4.03Å; W133-F161 HydrophobicContact CE3-CE2 4.43Å; W133-F161 HydrophobicContact CG-CD2 4.37Å; W133-F161 AromaticContact CG-CE2 3.69Å; W133-F161 HydrophobicContact CG-CE2 3.69Å; W133-F316 AromaticContact CE3-CE1 3.92Å; W133-F316 HydrophobicContact CE3-CE1 3.92Å; W133-F316 HydrophobicContact CE3-CZ 4.3Å; W133-F316 AromaticContact CZ3-CE1 3.7Å; W133-F316 HydrophobicContact CZ3-CE1 3.7Å; W133-F316 AromaticContact CZ3-CZ 3.96Å; W133-F316 HydrophobicContact CZ3-CZ 3.96Å |
| 134 | M | 98.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121 | -179.1 | -175.9 | 65.4 | -178.7 | 0 | 0 | 108.6 | L107 I115 A152 Y157 A159 L160 F161 | L107-M134 HydrophobicContact CB-SD 4.05Å; L107-M134 HydrophobicContact CD2-SD 4.05Å; L107-M134 HydrophobicContact CG-SD 4.11Å; I115-M134 HydrophobicContact CD1-CE 3.95Å; I115-M134 HydrophobicContact CD1-SD 4.41Å; I115-M134 HydrophobicContact CG1-CE 3.95Å; I115-M134 HydrophobicContact CG1-SD 4.03Å; M134-A152 HydrophobicContact CB-CB 4.04Å; M134-A152 HydrophobicContact CG-CB 4.18Å; M134-Y157 HydrophobicContact CB-CD1 3.9Å; M134-Y157 HydrophobicContact CB-CE1 4.44Å; M134-Y157 HydrophobicContact CB-CG 4.46Å; M134-A159 PolarHBondContact N-O 2.87Å; M134-L160 HydrophobicContact CB-CD2 4.03Å; M134-L160 CarbonylContact O-C 3.55Å; M134-L160 VanDerWaalsContact O-CA 3.32Å; M134-L160 WeakPolarHBondContact O-CA 2.7Å; M134-F161 PolarHBondContact O-N 3.44Å |
| 135 | Q | 98.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.3 | 162.3 | -179.8 | -88.4 | 14.7 | 0 | 0 | 108.5 | S79 M106 L107 S109 Y137 F161 T163 | S79-Q135 WeakPolarHBondContact OG-CG 3.1Å; M106-Q135 HydrophobicContact CG-CB 3.89Å; M106-Q135 HydrophobicContact SD-CB 4.08Å; L107-Q135 WeakPolarHBondContact O-CB 3.44Å; L107-Q135 PolarHBondContact O-N 3.2Å; S109-Q135 PolarHBondContact N-O 3.35Å; S109-Q135 VanDerWaalsContact N-OE1 3.15Å; S109-Q135 PolarHBondContact OG-O 3.43Å; S109-Q135 PolarHBondContact OG-OE1 3.28Å; Q135-Y137 VanDerWaalsContact NE2-CZ 3.31Å; Q135-F161 CarbonylContact C-O 3.39Å; Q135-F161 VanDerWaalsContact CA-O 3.3Å; Q135-F161 WeakPolarHBondContact CA-O 3.41Å; Q135-T163 VanDerWaalsContact CG-OG1 3.28Å; Q135-T163 WeakPolarHBondContact CG-OG1 3.43Å; Q135-T163 PolarHBondContact NE2-OG1 3.16Å |
| 136 | L | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.8 | -178.5 | -172.5 | 66.1 | 0 | 0 | 0 | 110.3 | S109 T145 L148 V149 L160 F161 V162 T163 L229 | S109-L136 WeakPolarHBondContact OG-CA 3.45Å; L136-T145 HydrophobicContact CD1-CG2 4.23Å; L136-T145 HydrophobicContact CD2-CG2 4.01Å; L136-T145 HydrophobicContact CG-CG2 4.32Å; L136-L148 HydrophobicContact CD1-CB 4.01Å; L136-L148 HydrophobicContact CD1-CD1 4Å; L136-V149 HydrophobicContact CD2-CG2 3.68Å; L136-L160 HydrophobicContact CD2-CD1 4.45Å; L136-F161 PolarHBondContact N-O 3.47Å; L136-V162 WeakPolarHBondContact O-CA 3.45Å; L136-T163 PolarHBondContact O-N 2.98Å; L136-L229 HydrophobicContact CD2-CD1 3.88Å; L136-L229 HydrophobicContact CD2-CD2 4.07Å |
| 137 | Y | 98.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -95.8 | 146.8 | 155 | -70.7 | -67.2 | 0 | 0 | 0 | 109.6 | W110 Q135 Y139 T163 T166 I217 H264 | W110-Y137 HydrophobicContact CD2-CD2 4.3Å; W110-Y137 AromaticContact CD2-CE2 3.87Å; W110-Y137 HydrophobicContact CD2-CE2 3.87Å; W110-Y137 AromaticContact CE2-CD2 3.65Å; W110-Y137 AromaticContact CE2-CE2 3.55Å; W110-Y137 AromaticContact CE3-CE2 3.99Å; W110-Y137 HydrophobicContact CE3-CE2 3.99Å; W110-Y137 HydrophobicContact CH2-CD2 4.19Å; W110-Y137 AromaticContact CH2-CE2 3.48Å; W110-Y137 HydrophobicContact CH2-CE2 3.48Å; W110-Y137 VanDerWaalsContact CH2-CE2 3.48Å; W110-Y137 AromaticContact CH2-CZ 3.77Å; W110-Y137 AromaticContact CZ2-CD2 3.61Å; W110-Y137 HydrophobicContact CZ2-CD2 3.61Å; W110-Y137 AromaticContact CZ2-CE2 3.37Å; W110-Y137 HydrophobicContact CZ2-CE2 3.37Å; W110-Y137 HydrophobicContact CZ2-CG 4.42Å; W110-Y137 AromaticContact CZ3-CE2 3.81Å; W110-Y137 HydrophobicContact CZ3-CE2 3.81Å; W110-Y137 AromaticContact NE1-CD2 3.86Å; Q135-Y137 VanDerWaalsContact NE2-CZ 3.31Å; Y137-Y139 VanDerWaalsContact O-CD2 3.28Å; Y137-Y139 WeakPolarHBondContact O-CD2 3.35Å; Y137-Y139 WeakPolarHBondContact O-CE2 3.39Å; Y137-T163 HydrophobicContact CD1-CG2 4.27Å; Y137-T163 HydrophobicContact CE1-CG2 3.52Å; Y137-T166 HydrophobicContact CE1-CG2 4.16Å; Y137-I217 HydrophobicContact CD2-CD1 4.48Å; Y137-I217 HydrophobicContact CG-CD1 4.1Å; Y137-H264 PolarHBondContact OH-CE1 3.37Å; Y137-H264 VanDerWaalsContact OH-CE1 3.23Å |
| 138 | I | 97.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 118.1 | 168.3 | -61.6 | 179.2 | 0 | 0 | 0 | 107.6 | R142 T145 V162 E218 L221 D225 W228 | I138-R142 VanDerWaalsContact CG2-CZ 3.41Å; I138-T145 HydrophobicContact CG1-CG2 4.37Å; I138-V162 HydrophobicContact CD1-CG1 4.21Å; I138-V162 HydrophobicContact CG1-CG1 4.29Å; I138-E218 HydrophobicContact CG2-CB 4.33Å; I138-E218 WeakPolarHBondContact O-CB 3.48Å; I138-E218 PolarHBondContact O-N 2.79Å; I138-E218 VanDerWaalsContact O-N 3.08Å; I138-L221 HydrophobicContact CB-CD1 4.08Å; I138-L221 HydrophobicContact CB-CD2 3.71Å; I138-L221 HydrophobicContact CD1-CD1 4.42Å; I138-L221 HydrophobicContact CD1-CD2 3.9Å; I138-L221 HydrophobicContact CG1-CD2 4.37Å; I138-L221 HydrophobicContact CG2-CD2 3.58Å; I138-D225 HydrophobicContact CD1-CB 3.98Å; I138-W228 HydrophobicContact CD1-CZ3 4.42Å; I138-W228 HydrophobicContact CG2-CZ3 4.46Å |
| 139 | Y | 96.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -88.2 | 156.5 | 179.3 | -69 | -100.7 | 0 | 0 | 0 | 110.3 | W110 Y137 D141 L144 T145 L148 F191 A216 I217 | W110-Y139 VanDerWaalsContact CD1-OH 3.26Å; W110-Y139 AromaticContact NE1-CZ 3.95Å; W110-Y139 PolarHBondContact NE1-OH 3.32Å; Y137-Y139 VanDerWaalsContact O-CD2 3.28Å; Y137-Y139 WeakPolarHBondContact O-CD2 3.35Å; Y137-Y139 WeakPolarHBondContact O-CE2 3.39Å; Y139-D141 CarbonylContact O-C 3.51Å; Y139-D141 PolarHBondContact O-N 2.96Å; Y139-L144 HydrophobicContact CD1-CD2 3.76Å; Y139-L144 HydrophobicContact CD2-CD2 4.37Å; Y139-L144 HydrophobicContact CE1-CD2 4.2Å; Y139-L144 HydrophobicContact CG-CD2 3.85Å; Y139-L144 HydrophobicContact CG-CG 4.44Å; Y139-T145 PolarHBondContact N-OG1 3.4Å; Y139-L148 HydrophobicContact CD2-CD1 4.43Å; Y139-L148 HydrophobicContact CE2-CD1 3.87Å; Y139-F191 HydrophobicContact CE1-CE1 4.26Å; Y139-F191 HydrophobicContact CE1-CZ 4.33Å; Y139-F191 HydrophobicContact CE2-CE1 4.37Å; Y139-F191 HydrophobicContact CE2-CZ 4.3Å; Y139-F191 AromaticContact CZ-CE1 3.88Å; Y139-F191 AromaticContact CZ-CZ 3.68Å; Y139-F191 WeakPolarHBondContact OH-CZ 3.48Å; Y139-A216 WeakPolarHBondContact CA-O 3.33Å; Y139-A216 HydrophobicContact CD1-CB 3.98Å; Y139-A216 WeakPolarHBondContact CD1-O 3.33Å; Y139-A216 HydrophobicContact CE1-CB 4.13Å; Y139-I217 HydrophobicContact CD1-CD1 3.79Å; Y139-I217 HydrophobicContact CE1-CD1 3.62Å; Y139-I217 HydrophobicContact CE2-CD1 4.4Å; Y139-I217 HydrophobicContact CG-CD1 4.26Å |
| 140 | K | 94.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 29.9 Ų | 29.9 | 43% | 0.426 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -55.4 | -40.7 | 171.2 | -64.5 | -179.4 | -171.3 | 163.4 | 0 | 110.9 | R142 A214 N215 A216 I217 | K140-R142 PolarHBondContact O-N 3.41Å; K140-A214 PolarHBondContact NZ-O 2.91Å; K140-N215 WeakPolarHBondContact CD-O 3.41Å; K140-N215 WeakPolarHBondContact CE-O 3.31Å; K140-N215 PolarHBondContact NZ-O 2.82Å; K140-A216 PolarHBondContact N-O 3.43Å; K140-I217 WeakPolarHBondContact CE-O 3.45Å |
| 141 | D | 94.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 31.7 Ų | 31.7 | 47% | 0.471 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -75.7 | 104.3 | 166.8 | -175.3 | -11 | 0 | 0 | 0 | 110 | Y139 E143 L144 T145 | Y139-D141 CarbonylContact O-C 3.51Å; Y139-D141 PolarHBondContact O-N 2.96Å; D141-E143 VanDerWaalsContact C-N 3.35Å; D141-E143 WeakPolarHBondContact OD1-CB 3.24Å; D141-E143 PolarHBondContact OD1-N 2.87Å; D141-L144 HydrophobicContact CB-CB 3.93Å; D141-L144 WeakPolarHBondContact O-CB 3.44Å; D141-L144 PolarHBondContact O-N 3.14Å; D141-L144 PolarHBondContact OD1-N 3.44Å; D141-L144 VanDerWaalsContact OD1-N 3.13Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 2.92Å |
| 142 | R | 96.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 31.2 Ų | 31.2 | 23% | 0.234 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.8 | -30.9 | 178.7 | -62.8 | -59.8 | 179.2 | 132.9 | 0.9 | 112.5 | I138 K140 L144 T145 L146 D225 W228 | I138-R142 VanDerWaalsContact CG2-CZ 3.41Å; K140-R142 PolarHBondContact O-N 3.41Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 2.97Å; R142-T145 WeakPolarHBondContact O-CB 3.31Å; R142-T145 PolarHBondContact O-N 3.49Å; R142-L146 WeakPolarHBondContact O-CG 3.42Å; R142-L146 PolarHBondContact O-N 3.39Å; R142-D225 IonicContact CZ-OD1 3.62Å; R142-D225 IonicContact NH1-OD1 2.72Å; R142-D225 PolarHBondContact NH1-OD1 3.12Å; R142-D225 IonicContact NH2-OD1 2.81Å; R142-D225 PolarHBondContact NH2-OD1 3.04Å; R142-W228 HydrophobicContact CB-CH2 4.3Å; R142-W228 HydrophobicContact CB-CZ2 3.93Å; R142-W228 HydrophobicContact CG-CZ2 4.32Å |
| 143 | E | 96.6 | Very high | 97.7 | Very high | 112 Ų | 112 | 34 Ų | 34 | 52% | 0.523 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.1 | -35.1 | 175.7 | -76 | -55.4 | 130.5 | 0 | 0 | 111.3 | D141 T145 L146 S147 R150 | D141-E143 VanDerWaalsContact C-N 3.35Å; D141-E143 WeakPolarHBondContact OD1-CB 3.24Å; D141-E143 PolarHBondContact OD1-N 2.87Å; E143-T145 VanDerWaalsContact C-N 3.35Å; E143-L146 PolarHBondContact O-N 3.17Å; E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 3.38Å; E143-R150 IonicContact OE2-NH2 2.71Å; E143-R150 PolarHBondContact OE2-NH2 3.41Å |
| 144 | L | 95.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 170.7 | 177.4 | 62.1 | 0 | 0 | 0 | 111.4 | Y139 D141 R142 L146 S147 L148 F191 L196 | Y139-L144 HydrophobicContact CD1-CD2 3.76Å; Y139-L144 HydrophobicContact CD2-CD2 4.37Å; Y139-L144 HydrophobicContact CE1-CD2 4.2Å; Y139-L144 HydrophobicContact CG-CD2 3.85Å; Y139-L144 HydrophobicContact CG-CG 4.44Å; D141-L144 HydrophobicContact CB-CB 3.93Å; D141-L144 WeakPolarHBondContact O-CB 3.44Å; D141-L144 PolarHBondContact O-N 3.14Å; D141-L144 PolarHBondContact OD1-N 3.44Å; D141-L144 VanDerWaalsContact OD1-N 3.13Å; R142-L144 VanDerWaalsContact C-N 3.31Å; R142-L144 PolarHBondContact O-N 2.97Å; L144-L146 PolarHBondContact O-N 3.45Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 2.91Å; L144-L148 PolarHBondContact O-N 3.49Å; L144-L148 VanDerWaalsContact O-N 3.13Å; L144-F191 HydrophobicContact CD1-CD1 3.78Å; L144-F191 HydrophobicContact CD1-CE1 3.89Å; L144-F191 HydrophobicContact CD2-CD1 4.06Å; L144-F191 HydrophobicContact CD2-CE1 3.93Å; L144-F191 HydrophobicContact CG-CD1 4.39Å; L144-F191 HydrophobicContact CG-CE1 4.15Å; L144-L196 HydrophobicContact CD2-CD1 3.81Å; L144-L196 HydrophobicContact CD2-CD2 3.91Å; L144-L196 HydrophobicContact CD2-CG 4.45Å |
| 145 | T | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 176.3 | -55 | 0 | 0 | 0 | 0 | 110.8 | L136 I138 Y139 D141 R142 E143 S147 L148 V149 W228 | L136-T145 HydrophobicContact CD1-CG2 4.23Å; L136-T145 HydrophobicContact CD2-CG2 4.01Å; L136-T145 HydrophobicContact CG-CG2 4.32Å; I138-T145 HydrophobicContact CG1-CG2 4.37Å; Y139-T145 PolarHBondContact N-OG1 3.4Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 2.92Å; R142-T145 WeakPolarHBondContact O-CB 3.31Å; R142-T145 PolarHBondContact O-N 3.49Å; E143-T145 VanDerWaalsContact C-N 3.35Å; T145-S147 VanDerWaalsContact C-N 3.29Å; T145-S147 PolarHBondContact O-N 3.43Å; T145-L148 PolarHBondContact O-N 3.46Å; T145-V149 WeakPolarHBondContact O-CG2 3.31Å; T145-V149 PolarHBondContact O-N 2.97Å; T145-V149 VanDerWaalsContact O-N 3.11Å; T145-W228 HydrophobicContact CG2-CH2 3.98Å; T145-W228 HydrophobicContact CG2-CZ3 4.17Å |
| 146 | L | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -28.8 | 178.5 | -67 | -175.3 | 0 | 0 | 0 | 113.1 | R142 E143 L144 R150 W228 H232 | R142-L146 WeakPolarHBondContact O-CG 3.42Å; R142-L146 PolarHBondContact O-N 3.39Å; E143-L146 PolarHBondContact O-N 3.17Å; L144-L146 PolarHBondContact O-N 3.45Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.42Å; L146-R150 PolarHBondContact O-N 3.08Å; L146-R150 PolarHBondContact O-NE 2.85Å; L146-R150 VanDerWaalsContact O-NE 3.16Å; L146-W228 HydrophobicContact CD1-CZ2 4.16Å; L146-W228 HydrophobicContact CD2-CH2 3.81Å; L146-W228 HydrophobicContact CD2-CZ2 3.66Å; L146-W228 HydrophobicContact CG-CH2 4.11Å; L146-W228 HydrophobicContact CG-CZ2 3.81Å; L146-H232 HydrophobicContact CD2-CB 3.46Å; L146-H232 VanDerWaalsContact CD2-CB 3.46Å |
| 147 | S | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 34% | 0.343 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.7 | -45.3 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | E143 L144 T145 V149 R150 R151 | E143-S147 WeakPolarHBondContact O-CB 3.5Å; E143-S147 PolarHBondContact O-N 3.38Å; L144-S147 WeakPolarHBondContact O-CB 3.45Å; L144-S147 PolarHBondContact O-N 2.91Å; T145-S147 VanDerWaalsContact C-N 3.29Å; T145-S147 PolarHBondContact O-N 3.43Å; S147-V149 PolarHBondContact O-N 2.97Å; S147-R150 PolarHBondContact O-N 3.08Å; S147-R151 WeakPolarHBondContact O-CB 3.03Å; S147-R151 VanDerWaalsContact O-CG 3.28Å; S147-R151 WeakPolarHBondContact O-CG 3.48Å; S147-R151 PolarHBondContact O-N 3.42Å |
| 148 | L | 98.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 175.4 | -64.6 | 174.8 | 0 | 0 | 0 | 111.7 | I115 L136 Y139 L144 T145 R151 A152 N190 F191 | I115-L148 HydrophobicContact CD1-CD2 4.06Å; L136-L148 HydrophobicContact CD1-CB 4.01Å; L136-L148 HydrophobicContact CD1-CD1 4Å; Y139-L148 HydrophobicContact CD2-CD1 4.43Å; Y139-L148 HydrophobicContact CE2-CD1 3.87Å; L144-L148 PolarHBondContact O-N 3.49Å; L144-L148 VanDerWaalsContact O-N 3.13Å; T145-L148 PolarHBondContact O-N 3.46Å; L148-R151 PolarHBondContact O-N 2.85Å; L148-A152 WeakPolarHBondContact O-CB 3.35Å; L148-A152 PolarHBondContact O-N 3.34Å; L148-N190 HydrophobicContact CD2-CB 3.89Å; L148-F191 HydrophobicContact CD1-CE1 4.07Å; L148-F191 HydrophobicContact CD1-CZ 4.12Å; L148-F191 HydrophobicContact CD2-CE1 4.36Å; L148-F191 HydrophobicContact CD2-CZ 4.49Å |
| 149 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.2 | -53.4 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | L136 T145 S147 R151 A152 E153 L160 L229 | L136-V149 HydrophobicContact CD2-CG2 3.68Å; T145-V149 WeakPolarHBondContact O-CG2 3.31Å; T145-V149 PolarHBondContact O-N 2.97Å; T145-V149 VanDerWaalsContact O-N 3.11Å; S147-V149 PolarHBondContact O-N 2.97Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 3.23Å; V149-A152 PolarHBondContact O-N 3.31Å; V149-E153 PolarHBondContact O-N 3.14Å; V149-L160 HydrophobicContact CG1-CD1 4.14Å; V149-L160 HydrophobicContact CG2-CD1 3.95Å; V149-L229 HydrophobicContact CG2-CD1 3.77Å |
| 150 | R | 98.7 | Very high | 97.9 | Very high | 131 Ų | 131 | 49.3 Ų | 49.3 | 49% | 0.494 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | -179.7 | -76 | -179.9 | -91.4 | -166.1 | -4.8 | 112 | E143 L146 S147 K154 | E143-R150 IonicContact OE2-NH2 2.71Å; E143-R150 PolarHBondContact OE2-NH2 3.41Å; L146-R150 WeakPolarHBondContact O-CB 3.38Å; L146-R150 VanDerWaalsContact O-CG 3.27Å; L146-R150 WeakPolarHBondContact O-CG 3.42Å; L146-R150 PolarHBondContact O-N 3.08Å; L146-R150 PolarHBondContact O-NE 2.85Å; L146-R150 VanDerWaalsContact O-NE 3.16Å; S147-R150 PolarHBondContact O-N 3.08Å; R150-K154 VanDerWaalsContact O-CB 3.25Å; R150-K154 WeakPolarHBondContact O-CB 3.17Å; R150-K154 PolarHBondContact O-N 2.95Å |
| 151 | R | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 44.6 Ų | 44.6 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -45.1 | 176.1 | -75.3 | 172.3 | 64.2 | -166 | 0.5 | 112.2 | I115 E116 S147 L148 V149 K154 A155 N190 | I115-R151 HydrophobicContact CD1-CB 3.9Å; I115-R151 HydrophobicContact CG2-CB 4.43Å; E116-R151 IonicContact OE1-CZ 3.32Å; E116-R151 IonicContact OE1-NE 3.17Å; E116-R151 PolarHBondContact OE1-NE 3.41Å; E116-R151 IonicContact OE1-NH2 3.8Å; E116-R151 PolarHBondContact OE1-NH2 3.13Å; E116-R151 IonicContact OE2-CZ 2.85Å; E116-R151 IonicContact OE2-NE 2.66Å; E116-R151 IonicContact OE2-NH2 3.73Å; E116-R151 PolarHBondContact OE2-NH2 3.47Å; S147-R151 WeakPolarHBondContact O-CB 3.03Å; S147-R151 VanDerWaalsContact O-CG 3.28Å; S147-R151 WeakPolarHBondContact O-CG 3.48Å; S147-R151 PolarHBondContact O-N 3.42Å; L148-R151 PolarHBondContact O-N 2.85Å; V149-R151 VanDerWaalsContact C-N 3.31Å; V149-R151 PolarHBondContact O-N 3.23Å; R151-K154 PolarHBondContact O-N 3.24Å; R151-A155 VanDerWaalsContact O-CB 3.29Å; R151-A155 WeakPolarHBondContact O-CB 3.37Å; R151-A155 PolarHBondContact O-N 3.28Å; R151-N190 PolarHBondContact NH1-O 2.96Å |
| 152 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | M134 L148 V149 A155 G156 Y157 L160 | M134-A152 HydrophobicContact CB-CB 4.04Å; M134-A152 HydrophobicContact CG-CB 4.18Å; L148-A152 WeakPolarHBondContact O-CB 3.35Å; L148-A152 PolarHBondContact O-N 3.34Å; V149-A152 PolarHBondContact O-N 3.31Å; A152-A155 PolarHBondContact O-N 3.23Å; A152-G156 PolarHBondContact O-N 2.83Å; A152-G156 VanDerWaalsContact O-N 3.08Å; A152-Y157 HydrophobicContact CB-CD2 4.28Å; A152-Y157 HydrophobicContact CB-CG 4.16Å; A152-Y157 WeakPolarHBondContact O-CB 3.33Å; A152-Y157 WeakPolarHBondContact O-CD2 3.48Å; A152-Y157 PolarHBondContact O-N 3.05Å; A152-L160 HydrophobicContact CB-CD2 4.42Å |
| 153 | E | 98.6 | Very high | 98.3 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.4 | -51.8 | 173.8 | -78.5 | -174.8 | 153.5 | 0 | 0 | 112 | V149 A155 G156 T233 R234 L235 | V149-E153 PolarHBondContact O-N 3.14Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.41Å; E153-G156 PolarHBondContact O-N 2.76Å; E153-T233 WeakPolarHBondContact OE1-CA 3.22Å; E153-T233 WeakPolarHBondContact OE1-CB 3.24Å; E153-T233 PolarHBondContact OE1-OG1 3.18Å; E153-R234 PolarHBondContact OE1-N 2.93Å; E153-L235 HydrophobicContact CG-CD1 3.53Å; E153-L235 HydrophobicContact CG-CD2 4.37Å; E153-L235 HydrophobicContact CG-CG 3.64Å |
| 154 | K | 98.6 | Very high | 98.4 | Very high | 196 Ų | 196 | 35 Ų | 35 | 85% | 0.852 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -61.9 | -39.8 | -178.8 | -176.6 | -179.7 | 178.3 | -176.3 | 0 | 112.5 | R150 R151 G156 | R150-K154 VanDerWaalsContact O-CB 3.25Å; R150-K154 WeakPolarHBondContact O-CB 3.17Å; R150-K154 PolarHBondContact O-N 2.95Å; R151-K154 PolarHBondContact O-N 3.24Å; K154-G156 PolarHBondContact O-N 3.21Å |
| 155 | A | 98.5 | Very high | 98.6 | Very high | 28 Ų | 28 | 35.3 Ų | 35.3 | 23% | 0.231 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70 | -23 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I115 M119 R151 A152 E153 Y157 | I115-A155 HydrophobicContact CG2-CB 3.85Å; M119-A155 HydrophobicContact CB-CB 4.25Å; M119-A155 WeakPolarHBondContact CE-O 3.45Å; M119-A155 HydrophobicContact CG-CB 4.3Å; M119-A155 VanDerWaalsContact CG-O 3.23Å; M119-A155 WeakPolarHBondContact CG-O 3.48Å; R151-A155 VanDerWaalsContact O-CB 3.29Å; R151-A155 WeakPolarHBondContact O-CB 3.37Å; R151-A155 PolarHBondContact O-N 3.28Å; A152-A155 PolarHBondContact O-N 3.23Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.41Å; A155-Y157 HydrophobicContact CB-CD2 3.89Å; A155-Y157 HydrophobicContact CB-CE2 3.9Å |
| 156 | G | 98.2 | Very high | 98.6 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 24% | 0.237 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | 19.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A152 E153 K154 K158 | A152-G156 PolarHBondContact O-N 2.83Å; A152-G156 VanDerWaalsContact O-N 3.08Å; E153-G156 PolarHBondContact O-N 2.76Å; K154-G156 PolarHBondContact O-N 3.21Å; G156-K158 WeakPolarHBondContact O-CD 3.44Å; G156-K158 WeakPolarHBondContact O-CE 3.49Å; G156-K158 PolarHBondContact O-NZ 2.63Å; G156-K158 VanDerWaalsContact O-NZ 3.15Å |
| 157 | Y | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | trans | -59 | 150.1 | 168.7 | -73.4 | -110 | 0 | 0 | 0 | 110 | L107 I115 M119 L132 W133 M134 A152 A155 L235 | L107-Y157 HydrophobicContact CB-CE1 3.93Å; L107-Y157 HydrophobicContact CD2-CE1 4.12Å; L107-Y157 WeakPolarHBondContact CD2-OH 3.43Å; I115-Y157 HydrophobicContact CB-CE2 4.37Å; I115-Y157 HydrophobicContact CG2-CD2 3.95Å; I115-Y157 HydrophobicContact CG2-CE2 3.37Å; I115-Y157 WeakPolarHBondContact O-CE2 3.41Å; I115-Y157 PolarHBondContact O-OH 3.08Å; M119-Y157 HydrophobicContact CB-CE2 4.11Å; M119-Y157 HydrophobicContact CE-CD2 3.63Å; M119-Y157 HydrophobicContact CE-CE2 3.76Å; M119-Y157 HydrophobicContact CE-CG 4.24Å; L132-Y157 HydrophobicContact CB-CD1 3.69Å; L132-Y157 HydrophobicContact CB-CE1 3.68Å; L132-Y157 HydrophobicContact CB-CG 4.25Å; L132-Y157 HydrophobicContact CD1-CE1 4.32Å; L132-Y157 HydrophobicContact CD2-CE1 4.49Å; L132-Y157 HydrophobicContact CG-CE1 4.39Å; L132-Y157 CarbonylContact O-C 3.49Å; L132-Y157 WeakPolarHBondContact O-CA 3.1Å; W133-Y157 VanDerWaalsContact C-CD1 3.48Å; M134-Y157 HydrophobicContact CB-CD1 3.9Å; M134-Y157 HydrophobicContact CB-CE1 4.44Å; M134-Y157 HydrophobicContact CB-CG 4.46Å; A152-Y157 HydrophobicContact CB-CD2 4.28Å; A152-Y157 HydrophobicContact CB-CG 4.16Å; A152-Y157 WeakPolarHBondContact O-CB 3.33Å; A152-Y157 WeakPolarHBondContact O-CD2 3.48Å; A152-Y157 PolarHBondContact O-N 3.05Å; A155-Y157 HydrophobicContact CB-CD2 3.89Å; A155-Y157 HydrophobicContact CB-CE2 3.9Å; Y157-L235 WeakPolarHBondContact O-CD2 3.25Å | ||
| 158 | K | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 41.8 Ų | 41.8 | 37% | 0.37 | 20% | 0.199 | S | C | . | . | trans | -104.6 | -10.6 | -166.3 | -59.9 | -51.9 | -178.1 | -160.4 | 0 | 115.4 | H69 V131 L132 G156 P236 | H69-K158 WeakPolarHBondContact NE2-CB 3.39Å; H69-K158 WeakPolarHBondContact NE2-CG 3.28Å; V131-K158 HydrophobicContact CG1-CB 3.91Å; V131-K158 HydrophobicContact CG1-CG 3.72Å; L132-K158 PolarHBondContact O-N 2.93Å; G156-K158 WeakPolarHBondContact O-CD 3.44Å; G156-K158 WeakPolarHBondContact O-CE 3.49Å; G156-K158 PolarHBondContact O-NZ 2.63Å; G156-K158 VanDerWaalsContact O-NZ 3.15Å; K158-P236 VanDerWaalsContact O-CD 3.3Å; K158-P236 WeakPolarHBondContact O-CD 3.36Å | ||
| 159 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -166.3 | 161.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L67 W133 M134 F161 P236 I238 | L67-A159 HydrophobicContact CD1-CB 3.67Å; W133-A159 HydrophobicContact CB-CB 4.45Å; W133-A159 VanDerWaalsContact CD1-CB 3.41Å; W133-A159 HydrophobicContact CG-CB 4.16Å; M134-A159 PolarHBondContact N-O 2.87Å; A159-F161 HydrophobicContact CB-CD2 4.5Å; A159-F161 HydrophobicContact CB-CE2 4.15Å; A159-P236 WeakPolarHBondContact CA-O 3.4Å; A159-P236 HydrophobicContact CB-CB 4.08Å; A159-I238 HydrophobicContact CB-CD1 3.68Å | ||
| 160 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.1 | 171.9 | -58.2 | 178.3 | 0 | 0 | 0 | 110 | M134 L136 V149 A152 L229 T233 L235 P236 I238 | M134-L160 HydrophobicContact CB-CD2 4.03Å; M134-L160 CarbonylContact O-C 3.55Å; M134-L160 VanDerWaalsContact O-CA 3.32Å; M134-L160 WeakPolarHBondContact O-CA 2.7Å; L136-L160 HydrophobicContact CD2-CD1 4.45Å; V149-L160 HydrophobicContact CG1-CD1 4.14Å; V149-L160 HydrophobicContact CG2-CD1 3.95Å; A152-L160 HydrophobicContact CB-CD2 4.42Å; L160-L229 HydrophobicContact CD1-CD1 4.41Å; L160-L229 HydrophobicContact CD1-CD2 4.43Å; L160-T233 HydrophobicContact CD1-CG2 3.92Å; L160-L235 HydrophobicContact CD2-CD1 3.96Å; L160-L235 HydrophobicContact CG-CB 4.17Å; L160-L235 HydrophobicContact CG-CD1 4Å; L160-P236 PolarHBondContact N-O 3.22Å; L160-I238 PolarHBondContact O-N 3.18Å |
| 161 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 96.4 | 172 | -75.2 | -110.2 | 0 | 0 | 0 | 108.8 | L67 M106 W133 M134 Q135 L136 A159 T163 I238 L260 F293 F316 | L67-F161 HydrophobicContact CD1-CE2 4.1Å; L67-F161 HydrophobicContact CD1-CZ 4.07Å; M106-F161 HydrophobicContact CE-CD1 4.48Å; M106-F161 HydrophobicContact CG-CB 4.45Å; M106-F161 HydrophobicContact CG-CD2 4.39Å; M106-F161 HydrophobicContact CG-CG 4.42Å; M106-F161 HydrophobicContact SD-CB 3.28Å; M106-F161 WeakPolarHBondContact SD-CB 3.27Å; M106-F161 HydrophobicContact SD-CD1 3.52Å; M106-F161 VanDerWaalsContact SD-CD1 3.52Å; M106-F161 HydrophobicContact SD-CD2 3.69Å; M106-F161 HydrophobicContact SD-CE1 4.21Å; M106-F161 HydrophobicContact SD-CE2 4.37Å; M106-F161 HydrophobicContact SD-CG 3.21Å; M106-F161 WeakPolarHBondContact SD-CG 3.49Å; W133-F161 HydrophobicContact CB-CD2 3.83Å; W133-F161 HydrophobicContact CB-CE2 3.64Å; W133-F161 HydrophobicContact CD2-CE2 4.03Å; W133-F161 HydrophobicContact CE3-CE2 4.43Å; W133-F161 HydrophobicContact CG-CD2 4.37Å; W133-F161 AromaticContact CG-CE2 3.69Å; W133-F161 HydrophobicContact CG-CE2 3.69Å; M134-F161 PolarHBondContact O-N 3.44Å; Q135-F161 CarbonylContact C-O 3.39Å; Q135-F161 VanDerWaalsContact CA-O 3.3Å; Q135-F161 WeakPolarHBondContact CA-O 3.41Å; L136-F161 PolarHBondContact N-O 3.47Å; A159-F161 HydrophobicContact CB-CD2 4.5Å; A159-F161 HydrophobicContact CB-CE2 4.15Å; F161-T163 PolarHBondContact O-N 3.36Å; F161-I238 CarbonylContact C-O 3.39Å; F161-I238 WeakPolarHBondContact CA-O 3.45Å; F161-I238 HydrophobicContact CD1-CB 3.81Å; F161-I238 HydrophobicContact CD1-CG1 4.47Å; F161-I238 HydrophobicContact CD1-CG2 3.51Å; F161-I238 HydrophobicContact CD2-CB 4.44Å; F161-I238 HydrophobicContact CD2-CD1 4.37Å; F161-I238 HydrophobicContact CE1-CB 3.98Å; F161-I238 HydrophobicContact CE1-CG1 4.2Å; F161-I238 HydrophobicContact CE1-CG2 3.58Å; F161-I238 HydrophobicContact CE2-CD1 4.09Å; F161-I238 HydrophobicContact CE2-CG1 4.37Å; F161-I238 HydrophobicContact CG-CB 4.06Å; F161-I238 HydrophobicContact CG-CG2 4.26Å; F161-I238 HydrophobicContact CZ-CB 4.35Å; F161-I238 HydrophobicContact CZ-CD1 4.3Å; F161-I238 HydrophobicContact CZ-CG1 4.13Å; F161-I238 HydrophobicContact CZ-CG2 4.35Å; F161-L260 HydrophobicContact CD1-CB 4.33Å; F161-L260 HydrophobicContact CD1-CD2 4.02Å; F161-L260 HydrophobicContact CE1-CB 4.4Å; F161-L260 HydrophobicContact CE1-CD2 4.27Å; F161-F293 HydrophobicContact CE1-CD2 4.19Å; F161-F293 HydrophobicContact CE1-CE2 4.4Å; F161-F293 HydrophobicContact CZ-CE2 4.45Å; F161-F316 HydrophobicContact CE1-CE2 4.26Å; F161-F316 AromaticContact CE1-CZ 3.88Å; F161-F316 HydrophobicContact CE1-CZ 3.88Å; F161-F316 HydrophobicContact CZ-CE1 4.38Å; F161-F316 HydrophobicContact CZ-CE2 4.48Å; F161-F316 AromaticContact CZ-CZ 3.75Å; F161-F316 HydrophobicContact CZ-CZ 3.75Å |
| 162 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118 | -178.5 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | L136 I138 V164 I226 L229 V237 I238 K240 | L136-V162 WeakPolarHBondContact O-CA 3.45Å; I138-V162 HydrophobicContact CD1-CG1 4.21Å; I138-V162 HydrophobicContact CG1-CG1 4.29Å; V162-V164 HydrophobicContact CG1-CG1 4.26Å; V162-I226 HydrophobicContact CG1-CD1 4.31Å; V162-L229 HydrophobicContact CG2-CD2 3.2Å; V162-V237 HydrophobicContact CG2-CG1 3.82Å; V162-I238 PolarHBondContact N-O 3.3Å; V162-K240 PolarHBondContact O-N 2.97Å |
| 163 | T | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.8 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | Q135 L136 Y137 F161 D165 K240 | Q135-T163 VanDerWaalsContact CG-OG1 3.28Å; Q135-T163 WeakPolarHBondContact CG-OG1 3.43Å; Q135-T163 PolarHBondContact NE2-OG1 3.16Å; L136-T163 PolarHBondContact O-N 2.98Å; Y137-T163 HydrophobicContact CD1-CG2 4.27Å; Y137-T163 HydrophobicContact CE1-CG2 3.52Å; F161-T163 PolarHBondContact O-N 3.36Å; T163-D165 WeakPolarHBondContact CG2-OD1 3.19Å; T163-K240 WeakPolarHBondContact CA-O 3.39Å |
| 164 | V | 98.4 | Very high | 97.8 | Very high | 58 Ų | 58 | 40.8 Ų | 40.8 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | trans | -112 | 1.3 | -174.2 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | V162 V239 K240 | V162-V164 HydrophobicContact CG1-CG1 4.26Å; V164-V239 HydrophobicContact CG1-CG1 4.49Å; V164-K240 WeakPolarHBondContact CG2-O 3.41Å; V164-K240 PolarHBondContact N-O 2.97Å | ||
| 165 | D | 98.2 | Very high | 97.7 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 16% | 0.155 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -99.9 | 9.4 | -177.9 | 61.9 | 8.7 | 0 | 0 | 0 | 114.2 | T163 P167 G241 H264 Q268 | T163-D165 WeakPolarHBondContact CG2-OD1 3.19Å; D165-P167 VanDerWaalsContact C-CD 3.43Å; D165-G241 WeakPolarHBondContact OD2-CA 3.43Å; D165-H264 IonicContact OD1-CE1 3.17Å; D165-H264 IonicContact OD1-CG 2.73Å; D165-H264 IonicContact OD1-ND1 2.73Å; D165-H264 PolarHBondContact OD1-ND1 3.22Å; D165-H264 WeakPolarHBondContact OD2-CB 3.31Å; D165-H264 IonicContact OD2-CG 2.79Å; D165-H264 IonicContact OD2-ND1 3.66Å; D165-H264 PolarHBondContact OD2-ND1 3.31Å; D165-Q268 WeakPolarHBondContact O-CG 3Å; D165-Q268 PolarHBondContact O-NE2 3.42Å |
| 166 | T | 97.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | trans | -128.6 | 58.6 | -177.4 | -42.3 | 0 | 0 | 0 | 0 | 113.1 | Y137 Y168 L169 V213 H264 | Y137-T166 HydrophobicContact CE1-CG2 4.16Å; T166-Y168 WeakPolarHBondContact CG2-O 3.49Å; T166-Y168 PolarHBondContact O-N 2.76Å; T166-L169 HydrophobicContact CG2-CD1 4.33Å; T166-V213 HydrophobicContact CG2-CG1 4.33Å; T166-H264 PolarHBondContact OG1-CE1 2.78Å; T166-H264 PolarHBondContact OG1-ND1 2.61Å | ||
| 167 | P | 95.1 | Very high | 97.4 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 35% | 0.351 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -64.9 | -32.1 | 166.9 | 28.5 | -33.7 | 0 | 0 | 0 | 111.3 | D165 P219 | D165-P167 VanDerWaalsContact C-CD 3.43Å; P167-P219 HydrophobicContact CB-CB 4.35Å |
| 168 | Y | 95.4 | Very high | 97.2 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 55% | 0.549 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -134.8 | 162 | 166.7 | -63.5 | -79.5 | 0 | 0 | 0 | 109 | T166 P219 Q268 | T166-Y168 WeakPolarHBondContact CG2-O 3.49Å; T166-Y168 PolarHBondContact O-N 2.76Å; Y168-P219 HydrophobicContact CE1-CB 4.32Å; Y168-P219 HydrophobicContact CE2-CB 3.82Å; Y168-Q268 PolarHBondContact O-NE2 2.88Å |
| 169 | L | 95.8 | Very high | 96.8 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | trans | -78.3 | 135.9 | 177.4 | -163.2 | 71.3 | 0 | 0 | 0 | 110.6 | T166 L209 A210 V213 | T166-L169 HydrophobicContact CG2-CD1 4.33Å; L169-L209 HydrophobicContact CD1-CD2 4.46Å; L169-L209 HydrophobicContact CD2-CB 3.95Å; L169-L209 HydrophobicContact CD2-CD2 3.98Å; L169-L209 HydrophobicContact CD2-CG 3.74Å; L169-A210 HydrophobicContact CB-CB 4.35Å; L169-A210 HydrophobicContact CD2-CB 3.99Å; L169-V213 HydrophobicContact CB-CB 4.16Å; L169-V213 HydrophobicContact CB-CG1 4.25Å; L169-V213 HydrophobicContact CB-CG2 4.23Å; L169-V213 HydrophobicContact CD1-CG2 4.17Å | ||
| 170 | G | 96.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | trans | -61.8 | 149.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R172 Q268 | G170-R172 PolarHBondContact O-N 3.29Å; G170-Q268 WeakPolarHBondContact CA-O 3.44Å | ||
| 171 | K | 96.8 | Very high | 96.1 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | trans | -80 | 104.9 | -176.1 | -173.4 | 178.5 | -176.2 | 179.2 | 0 | 110.9 | A31 D32 L173 | A31-K171 CarbonylContact C-O 3.51Å; A31-K171 WeakPolarHBondContact CA-O 3.24Å; D32-K171 PolarHBondContact N-O 3.15Å; K171-L173 HydrophobicContact CD-CD2 4.25Å; K171-L173 HydrophobicContact CG-CD2 4.21Å | ||
| 172 | R | 97.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | trans | -100.4 | 102.3 | -179 | -63 | 157.4 | -165.6 | 175.6 | 4.3 | 108.9 | G170 D174 D175 V176 R267 | G170-R172 PolarHBondContact O-N 3.29Å; R172-D174 VanDerWaalsContact C-N 3.26Å; R172-D174 PolarHBondContact O-N 2.85Å; R172-D174 VanDerWaalsContact O-N 3.16Å; R172-D175 HydrophobicContact CB-CB 4.04Å; R172-D175 WeakPolarHBondContact CB-OD2 3.24Å; R172-D175 WeakPolarHBondContact CD-OD2 3.31Å; R172-D175 WeakPolarHBondContact O-CB 3.37Å; R172-D175 PolarHBondContact O-N 2.92Å; R172-V176 PolarHBondContact O-N 3.05Å; R172-R267 PolarHBondContact NE-O 3.41Å; R172-R267 PolarHBondContact NH2-O 2.88Å | ||
| 173 | L | 97.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.9 | -36.5 | -167.2 | -60.8 | -178.4 | 0 | 0 | 0 | 113.5 | D32 K171 V176 R177 | D32-L173 WeakPolarHBondContact O-CD1 3.4Å; K171-L173 HydrophobicContact CD-CD2 4.25Å; K171-L173 HydrophobicContact CG-CD2 4.21Å; L173-V176 PolarHBondContact O-N 2.95Å; L173-R177 VanDerWaalsContact O-CG 3.27Å; L173-R177 WeakPolarHBondContact O-CG 3.4Å; L173-R177 PolarHBondContact O-N 2.82Å |
| 174 | D | 97.8 | Very high | 95 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -31.8 | 177.9 | -63.2 | -33.7 | 0 | 0 | 0 | 112.5 | D25 R28 S29 R172 V176 R177 N178 | D25-D174 HydrophobicContact CB-CB 3.8Å; R28-D174 IonicContact NH2-OD2 2.69Å; R28-D174 PolarHBondContact NH2-OD2 3.46Å; S29-D174 PolarHBondContact OG-OD2 2.76Å; R172-D174 VanDerWaalsContact C-N 3.26Å; R172-D174 PolarHBondContact O-N 2.85Å; R172-D174 VanDerWaalsContact O-N 3.16Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.92Å; D174-R177 PolarHBondContact O-N 2.84Å; D174-R177 IonicContact OD1-CZ 2.7Å; D174-R177 IonicContact OD1-NH1 3.31Å; D174-R177 PolarHBondContact OD1-NH1 3.39Å; D174-N178 WeakPolarHBondContact O-CB 3.47Å; D174-N178 PolarHBondContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.88Å |
| 175 | D | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 173.4 | -67.4 | -10.1 | 0 | 0 | 0 | 110.7 | Y26 R172 R179 F180 | Y26-D175 WeakPolarHBondContact CA-OD1 3.29Å; R172-D175 HydrophobicContact CB-CB 4.04Å; R172-D175 WeakPolarHBondContact CB-OD2 3.24Å; R172-D175 WeakPolarHBondContact CD-OD2 3.31Å; R172-D175 WeakPolarHBondContact O-CB 3.37Å; R172-D175 PolarHBondContact O-N 2.92Å; D175-R179 WeakPolarHBondContact O-CA 3.28Å; D175-R179 PolarHBondContact O-N 2.84Å; D175-F180 HydrophobicContact CB-CB 3.89Å; D175-F180 PolarHBondContact O-N 2.66Å |
| 176 | V | 93.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 26% | 0.261 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -49.9 | 175.4 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | R172 L173 D174 N178 R179 D206 | R172-V176 PolarHBondContact O-N 3.05Å; L173-V176 PolarHBondContact O-N 2.95Å; D174-V176 VanDerWaalsContact C-N 3.3Å; D174-V176 PolarHBondContact O-N 2.92Å; V176-N178 VanDerWaalsContact C-N 3.28Å; V176-N178 PolarHBondContact O-N 3.39Å; V176-R179 PolarHBondContact O-N 3.18Å; V176-R179 VanDerWaalsContact O-N 3.12Å; V176-D206 WeakPolarHBondContact CG1-OD1 3.45Å; V176-D206 WeakPolarHBondContact CG2-OD1 3.25Å |
| 177 | R | 95.9 | Very high | 94.4 | Very high | 169 Ų | 169 | 67.2 Ų | 67.2 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.6 | -39.9 | 179.4 | -71.3 | 169.2 | -174.1 | 136.9 | 2.6 | 112.2 | L173 D174 R179 | L173-R177 VanDerWaalsContact O-CG 3.27Å; L173-R177 WeakPolarHBondContact O-CG 3.4Å; L173-R177 PolarHBondContact O-N 2.82Å; D174-R177 PolarHBondContact O-N 2.84Å; D174-R177 IonicContact OD1-CZ 2.7Å; D174-R177 IonicContact OD1-NH1 3.31Å; D174-R177 PolarHBondContact OD1-NH1 3.39Å; R177-R179 VanDerWaalsContact C-N 3.32Å |
| 178 | N | 94.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 64.7 Ų | 64.7 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5 | -178.8 | -65.8 | -36.6 | 0 | 0 | 0 | 113 | A22 D25 D174 V176 F180 | A22-N178 HydrophobicContact CB-CB 3.99Å; D25-N178 WeakPolarHBondContact CB-ND2 3.13Å; D25-N178 PolarHBondContact OD2-ND2 3.06Å; D174-N178 WeakPolarHBondContact O-CB 3.47Å; D174-N178 PolarHBondContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.88Å; V176-N178 VanDerWaalsContact C-N 3.28Å; V176-N178 PolarHBondContact O-N 3.39Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 PolarHBondContact O-N 2.97Å |
| 179 | R | 91.9 | Very high | 94.6 | Very high | 158 Ų | 158 | 59.2 Ų | 59.2 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 54.1 | -170.8 | -60.9 | -179.1 | 180 | 169.6 | -1.3 | 111.1 | D175 V176 R177 K181 | D175-R179 WeakPolarHBondContact O-CA 3.28Å; D175-R179 PolarHBondContact O-N 2.84Å; V176-R179 PolarHBondContact O-N 3.18Å; V176-R179 VanDerWaalsContact O-N 3.12Å; R177-R179 VanDerWaalsContact C-N 3.32Å; R179-K181 PolarHBondContact O-N 3.41Å |
| 180 | F | 91.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | trans | -54 | 129.9 | -169.8 | 174 | -94.7 | 0 | 0 | 0 | 111.6 | Y26 M82 M85 D175 N178 F198 G208 L209 | Y26-F180 AromaticContact CD1-CE2 3.97Å; Y26-F180 HydrophobicContact CD1-CE2 3.97Å; Y26-F180 AromaticContact CD1-CZ 3.91Å; Y26-F180 HydrophobicContact CD1-CZ 3.91Å; Y26-F180 HydrophobicContact CD2-CD1 4Å; Y26-F180 HydrophobicContact CD2-CD2 4.18Å; Y26-F180 AromaticContact CD2-CE1 3.73Å; Y26-F180 HydrophobicContact CD2-CE1 3.73Å; Y26-F180 AromaticContact CD2-CE2 3.91Å; Y26-F180 HydrophobicContact CD2-CE2 3.91Å; Y26-F180 HydrophobicContact CD2-CG 4.23Å; Y26-F180 AromaticContact CD2-CZ 3.69Å; Y26-F180 HydrophobicContact CD2-CZ 3.69Å; Y26-F180 HydrophobicContact CE1-CZ 4.28Å; Y26-F180 AromaticContact CE2-CE1 3.96Å; Y26-F180 HydrophobicContact CE2-CE1 3.96Å; Y26-F180 HydrophobicContact CE2-CZ 4.08Å; Y26-F180 AromaticContact CG-CD2 3.96Å; Y26-F180 HydrophobicContact CG-CD2 3.96Å; Y26-F180 HydrophobicContact CG-CE1 4.15Å; Y26-F180 AromaticContact CG-CE2 3.49Å; Y26-F180 HydrophobicContact CG-CE2 3.49Å; Y26-F180 VanDerWaalsContact CG-CE2 3.49Å; Y26-F180 HydrophobicContact CG-CG 4.47Å; Y26-F180 AromaticContact CG-CZ 3.61Å; Y26-F180 HydrophobicContact CG-CZ 3.61Å; M82-F180 HydrophobicContact CE-CE1 3.9Å; M82-F180 HydrophobicContact CE-CZ 3.86Å; M82-F180 HydrophobicContact SD-CZ 4.38Å; M85-F180 HydrophobicContact CE-CE2 4.12Å; M85-F180 HydrophobicContact CE-CZ 3.85Å; M85-F180 HydrophobicContact SD-CE2 4.02Å; M85-F180 HydrophobicContact SD-CZ 3.86Å; D175-F180 HydrophobicContact CB-CB 3.89Å; D175-F180 PolarHBondContact O-N 2.66Å; N178-F180 VanDerWaalsContact C-N 3.28Å; N178-F180 PolarHBondContact O-N 2.97Å; F180-F198 HydrophobicContact CE1-CE1 4.12Å; F180-G208 PolarHBondContact O-N 3.45Å; F180-L209 HydrophobicContact CD1-CB 4.36Å | ||
| 181 | K | 90.9 | Very high | 94.4 | Very high | 119 Ų | 119 | 58.6 Ų | 58.6 | 52% | 0.517 | 28% | 0.275 | S | S | . | . | trans | -145.6 | 160.7 | 173.9 | 64.4 | 178.3 | -179.5 | 176.2 | 0 | 110.9 | R179 | R179-K181 PolarHBondContact O-N 3.41Š| ||
| 182 | M | 90.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | trans | -61.2 | 137.1 | 174 | -171.2 | 71.7 | 80.6 | 0 | 0 | 110.7 | M82 M85 T112 L186 M188 F198 | M82-M182 HydrophobicContact CB-CE 4.25Å; M82-M182 HydrophobicContact CB-SD 4.4Å; M82-M182 HydrophobicContact CG-CE 3.52Å; M82-M182 HydrophobicContact CG-SD 4.24Å; M82-M182 HydrophobicContact SD-CE 3.34Å; M82-M182 WeakPolarHBondContact SD-CE 3.46Å; M82-M182 HydrophobicContact SD-SD 3.94Å; M85-M182 HydrophobicContact CG-SD 4.43Å; M85-M182 HydrophobicContact SD-SD 4.37Å; T112-M182 HydrophobicContact CG2-CE 3.99Å; T112-M182 HydrophobicContact CG2-SD 4.1Å; M182-L186 HydrophobicContact CG-CB 3.71Å; M182-L186 WeakPolarHBondContact CG-O 3.37Å; M182-L186 HydrophobicContact SD-CB 3.54Å; M182-L186 VanDerWaalsContact SD-CB 3.54Å; M182-L186 HydrophobicContact SD-CD1 4.35Å; M182-M188 HydrophobicContact CE-CG 4.05Å; M182-F198 HydrophobicContact CB-CD1 3.75Å; M182-F198 HydrophobicContact CB-CE1 3.97Å; M182-F198 WeakPolarHBondContact CB-O 3.44Å; M182-F198 HydrophobicContact CE-CD1 4.07Å | ||
| 183 | P | 91.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 20% | 0.201 | 31% | 0.306 | C | S | . | . | trans | -56.6 | 141.6 | 167.8 | -26.6 | 35.9 | 0 | 0 | 0 | 111.6 | M85 H185 L186 | M85-P183 HydrophobicContact CG-CG 4.04Å; M85-P183 HydrophobicContact SD-CG 4.26Å; P183-H185 PolarHBondContact O-N 3.12Å; P183-L186 HydrophobicContact CB-CD1 4.3Å; P183-L186 HydrophobicContact CB-CG 4.46Å; P183-L186 HydrophobicContact CG-CD1 4.14Å; P183-L186 PolarHBondContact O-N 3.13Å | ||
| 184 | P | 90 | Very high | 92 | Very high | 134 Ų | 134 | 61 Ų | 61 | 87% | 0.87 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.7 | -169 | -27.3 | 34.3 | 0 | 0 | 0 | 116.3 | L186 | P184-L186 VanDerWaalsContact C-N 3.32Š|
| 185 | H | 92.5 | Very high | 91 | Very high | 144 Ų | 144 | 62.5 Ų | 62.5 | 67% | 0.667 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.2 | 179.4 | 64.4 | -83.3 | 0 | 0 | 0 | 113.1 | P183 | P183-H185 PolarHBondContact O-N 3.12Š|
| 186 | L | 95.6 | Very high | 90.3 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | trans | -116.1 | 158.1 | -178.7 | -61.7 | -179.3 | 0 | 0 | 0 | 111 | R84 M85 T112 M182 P183 P184 | R84-L186 HydrophobicContact CB-CD1 4.04Å; R84-L186 HydrophobicContact CB-CD2 3.67Å; M85-L186 HydrophobicContact CB-CD1 4.4Å; M85-L186 HydrophobicContact CG-CD1 3.69Å; T112-L186 HydrophobicContact CG2-CB 4.29Å; M182-L186 HydrophobicContact CG-CB 3.71Å; M182-L186 WeakPolarHBondContact CG-O 3.37Å; M182-L186 HydrophobicContact SD-CB 3.54Å; M182-L186 VanDerWaalsContact SD-CB 3.54Å; M182-L186 HydrophobicContact SD-CD1 4.35Å; P183-L186 HydrophobicContact CB-CD1 4.3Å; P183-L186 HydrophobicContact CB-CG 4.46Å; P183-L186 HydrophobicContact CG-CD1 4.14Å; P183-L186 PolarHBondContact O-N 3.13Å; P184-L186 VanDerWaalsContact C-N 3.32Å | ||
| 187 | R | 95.6 | Very high | 89.8 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | trans | -158.9 | 158.5 | 179 | 56.8 | -84.6 | -175.7 | -79.6 | 2.8 | 109.1 | T112 S189 | T112-R187 WeakPolarHBondContact CA-O 3.38Å; T112-R187 WeakPolarHBondContact CG2-O 3.5Å; R187-S189 PolarHBondContact NH1-OG 3.14Å; R187-S189 VanDerWaalsContact NH1-OG 3.16Å; R187-S189 PolarHBondContact O-N 2.57Å; R187-S189 VanDerWaalsContact O-N 3.14Å; R187-S189 PolarHBondContact O-OG 2.91Å | ||
| 188 | M | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -73.7 | 100.6 | 169.9 | -60.5 | 179.8 | -175.8 | 0 | 0 | 109.2 | M82 W110 A111 M182 N190 F191 S197 F198 L209 Y212 | M82-M188 HydrophobicContact SD-CE 4.25Å; W110-M188 HydrophobicContact CB-CE 3.77Å; W110-M188 HydrophobicContact CB-CG 4.24Å; W110-M188 HydrophobicContact CB-SD 3.63Å; W110-M188 VanDerWaalsContact CD1-SD 3.52Å; W110-M188 HydrophobicContact CD2-CE 4.13Å; W110-M188 HydrophobicContact CD2-SD 4.47Å; W110-M188 HydrophobicContact CG-CE 3.75Å; W110-M188 HydrophobicContact CG-SD 3.6Å; W110-M188 VanDerWaalsContact CG-SD 3.6Å; A111-M188 CarbonylContact O-C 3.47Å; A111-M188 WeakPolarHBondContact O-CA 3.38Å; M182-M188 HydrophobicContact CE-CG 4.05Å; M188-N190 PolarHBondContact O-N 3.02Å; M188-F191 HydrophobicContact CB-CD2 3.68Å; M188-F191 HydrophobicContact CB-CE2 4.09Å; M188-F191 PolarHBondContact O-N 3.2Å; M188-F191 VanDerWaalsContact O-N 3.14Å; M188-F191 HydrophobicContact SD-CE2 4.44Å; M188-S197 PolarHBondContact N-O 3.29Å; M188-F198 HydrophobicContact CE-CB 3.55Å; M188-F198 HydrophobicContact CE-CD1 3.87Å; M188-F198 HydrophobicContact CE-CG 3.84Å; M188-F198 HydrophobicContact CG-CB 4.09Å; M188-F198 HydrophobicContact SD-CB 3.9Å; M188-L209 HydrophobicContact CE-CD1 4.08Å; M188-Y212 HydrophobicContact CE-CE1 4.41Å; M188-Y212 HydrophobicContact SD-CE1 4.37Å; M188-Y212 HydrophobicContact SD-CE2 4.27Å | ||
| 189 | S | 96.4 | Very high | 88.6 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2.9 | -165.5 | -62.7 | 0 | 0 | 0 | 0 | 114.8 | A111 T112 R187 F191 | A111-S189 PolarHBondContact O-N 3.36Å; T112-S189 PolarHBondContact O-OG 3.04Å; R187-S189 PolarHBondContact NH1-OG 3.14Å; R187-S189 VanDerWaalsContact NH1-OG 3.16Å; R187-S189 PolarHBondContact O-N 2.57Å; R187-S189 VanDerWaalsContact O-N 3.14Å; R187-S189 PolarHBondContact O-OG 2.91Å; S189-F191 VanDerWaalsContact C-N 3.33Å |
| 190 | N | 96.5 | Very high | 88 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.7 | 172.5 | -71.2 | -36.9 | 0 | 0 | 0 | 113.3 | S109 S114 I115 L148 R151 M188 | S109-N190 PolarHBondContact O-ND2 2.8Å; S114-N190 WeakPolarHBondContact CA-OD1 3.41Å; I115-N190 WeakPolarHBondContact CG1-OD1 3.42Å; I115-N190 PolarHBondContact N-OD1 3.37Å; L148-N190 HydrophobicContact CD2-CB 3.89Å; R151-N190 PolarHBondContact NH1-O 2.96Å; M188-N190 PolarHBondContact O-N 3.02Å |
| 191 | F | 93.1 | Very high | 86.8 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | trans | -120.8 | 148.4 | -174 | -49.4 | -80 | 0 | 0 | 0 | 111.1 | S109 Y139 L144 L148 M188 S189 L196 | S109-F191 VanDerWaalsContact O-CE2 3.3Å; S109-F191 WeakPolarHBondContact O-CE2 3.48Å; Y139-F191 HydrophobicContact CE1-CE1 4.26Å; Y139-F191 HydrophobicContact CE1-CZ 4.33Å; Y139-F191 HydrophobicContact CE2-CE1 4.37Å; Y139-F191 HydrophobicContact CE2-CZ 4.3Å; Y139-F191 AromaticContact CZ-CE1 3.88Å; Y139-F191 AromaticContact CZ-CZ 3.68Å; Y139-F191 WeakPolarHBondContact OH-CZ 3.48Å; L144-F191 HydrophobicContact CD1-CD1 3.78Å; L144-F191 HydrophobicContact CD1-CE1 3.89Å; L144-F191 HydrophobicContact CD2-CD1 4.06Å; L144-F191 HydrophobicContact CD2-CE1 3.93Å; L144-F191 HydrophobicContact CG-CD1 4.39Å; L144-F191 HydrophobicContact CG-CE1 4.15Å; L148-F191 HydrophobicContact CD1-CE1 4.07Å; L148-F191 HydrophobicContact CD1-CZ 4.12Å; L148-F191 HydrophobicContact CD2-CE1 4.36Å; L148-F191 HydrophobicContact CD2-CZ 4.49Å; M188-F191 HydrophobicContact CB-CD2 3.68Å; M188-F191 HydrophobicContact CB-CE2 4.09Å; M188-F191 PolarHBondContact O-N 3.2Å; M188-F191 VanDerWaalsContact O-N 3.14Å; M188-F191 HydrophobicContact SD-CE2 4.44Å; S189-F191 VanDerWaalsContact C-N 3.33Å; F191-L196 HydrophobicContact CB-CB 3.68Å; F191-L196 HydrophobicContact CD1-CB 4.06Å; F191-L196 WeakPolarHBondContact CD2-O 3.44Å; F191-L196 HydrophobicContact CG-CB 3.98Å; F191-L196 VanDerWaalsContact CG-O 3.31Å; F191-L196 WeakPolarHBondContact CG-O 3.45Å | ||
| 192 | S | 82.8 | Confident | 86.1 | Confident | 129 Ų | 129 | 58.9 Ų | 58.9 | 90% | 0.902 | 34% | 0.339 | S | S | * | . | trans | -103.9 | -26.4 | -175.6 | 52 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 193 | S | 83.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 30% | 0.301 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -83.7 | 151.6 | 177.4 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | S195 L196 S197 | S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact O-N 3.46Å; S193-S195 PolarHBondContact OG-OG 2.97Å; S193-L196 PolarHBondContact O-N 2.89Å; S193-L196 VanDerWaalsContact OG-CB 3.27Å; S193-L196 WeakPolarHBondContact OG-CB 3.33Å; S193-L196 WeakPolarHBondContact OG-CD1 3.29Å; S193-L196 VanDerWaalsContact OG-CG 3.28Å; S193-L196 WeakPolarHBondContact OG-CG 3.12Å; S193-L196 PolarHBondContact OG-N 2.91Å; S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 2.64Å; S193-S197 PolarHBondContact O-OG 3.44Å |
| 194 | A | 74.4 | Confident | 84.9 | Confident | 53 Ų | 53 | 60 Ų | 60 | 44% | 0.438 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -44.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S197 F198 S199 E200 | A194-S197 PolarHBondContact O-N 3.21Å; A194-S197 PolarHBondContact O-OG 2.95Å; A194-F198 PolarHBondContact O-N 3.27Å; A194-S199 VanDerWaalsContact CA-OG 3.31Å; A194-S199 WeakPolarHBondContact CA-OG 3.32Å; A194-S199 PolarHBondContact O-N 2.84Å; A194-S199 PolarHBondContact O-OG 3.02Å; A194-E200 HydrophobicContact CB-CG 4.48Å |
| 195 | S | 77.6 | Confident | 84.2 | Confident | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -49.8 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | S193 S197 F198 E200 Y212 | S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact O-N 3.46Å; S193-S195 PolarHBondContact OG-OG 2.97Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 3.17Å; S195-F198 PolarHBondContact O-N 3.26Å; S195-E200 VanDerWaalsContact CB-OE1 3.25Å; S195-E200 WeakPolarHBondContact CB-OE1 3.31Å; S195-Y212 WeakPolarHBondContact O-CD2 3.14Å; S195-Y212 WeakPolarHBondContact O-CE2 3.35Å |
| 196 | L | 82.6 | Confident | 83.6 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -25 | -177.6 | -66.7 | 174.4 | 0 | 0 | 0 | 112.9 | L144 F191 S193 F198 Y212 A216 | L144-L196 HydrophobicContact CD2-CD1 3.81Å; L144-L196 HydrophobicContact CD2-CD2 3.91Å; L144-L196 HydrophobicContact CD2-CG 4.45Å; F191-L196 HydrophobicContact CB-CB 3.68Å; F191-L196 HydrophobicContact CD1-CB 4.06Å; F191-L196 WeakPolarHBondContact CD2-O 3.44Å; F191-L196 HydrophobicContact CG-CB 3.98Å; F191-L196 VanDerWaalsContact CG-O 3.31Å; F191-L196 WeakPolarHBondContact CG-O 3.45Å; S193-L196 PolarHBondContact O-N 2.89Å; S193-L196 VanDerWaalsContact OG-CB 3.27Å; S193-L196 WeakPolarHBondContact OG-CB 3.33Å; S193-L196 WeakPolarHBondContact OG-CD1 3.29Å; S193-L196 VanDerWaalsContact OG-CG 3.28Å; S193-L196 WeakPolarHBondContact OG-CG 3.12Å; S193-L196 PolarHBondContact OG-N 2.91Å; L196-F198 VanDerWaalsContact C-N 3.28Å; L196-Y212 VanDerWaalsContact O-CE2 3.31Å; L196-Y212 WeakPolarHBondContact O-CE2 3.25Å; L196-Y212 PolarHBondContact O-OH 3.46Å; L196-A216 HydrophobicContact CD2-CB 4.34Å |
| 197 | S | 83.1 | Confident | 83.1 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 3 | 177.8 | 69.9 | 0 | 0 | 0 | 0 | 113.7 | M188 S193 A194 S195 S199 | M188-S197 PolarHBondContact N-O 3.29Å; S193-S197 WeakPolarHBondContact O-CB 3.47Å; S193-S197 PolarHBondContact O-N 2.64Å; S193-S197 PolarHBondContact O-OG 3.44Å; A194-S197 PolarHBondContact O-N 3.21Å; A194-S197 PolarHBondContact O-OG 2.95Å; S195-S197 VanDerWaalsContact C-N 3.32Å; S195-S197 PolarHBondContact O-N 3.17Å; S197-S199 VanDerWaalsContact C-N 3.33Å; S197-S199 PolarHBondContact O-N 3.23Å; S197-S199 PolarHBondContact OG-OG 3.16Å |
| 198 | F | 87.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 44.8 | -179.2 | -169.1 | -126.7 | 0 | 0 | 0 | 112.4 | M82 F180 M182 M188 A194 S195 L196 Y203 G208 L209 Y212 | M82-F198 HydrophobicContact SD-CD1 4.17Å; M82-F198 HydrophobicContact SD-CE1 4.35Å; F180-F198 HydrophobicContact CE1-CE1 4.12Å; M182-F198 HydrophobicContact CB-CD1 3.75Å; M182-F198 HydrophobicContact CB-CE1 3.97Å; M182-F198 WeakPolarHBondContact CB-O 3.44Å; M182-F198 HydrophobicContact CE-CD1 4.07Å; M188-F198 HydrophobicContact CE-CB 3.55Å; M188-F198 HydrophobicContact CE-CD1 3.87Å; M188-F198 HydrophobicContact CE-CG 3.84Å; M188-F198 HydrophobicContact CG-CB 4.09Å; M188-F198 HydrophobicContact SD-CB 3.9Å; A194-F198 PolarHBondContact O-N 3.27Å; S195-F198 PolarHBondContact O-N 3.26Å; L196-F198 VanDerWaalsContact C-N 3.28Å; F198-Y203 WeakPolarHBondContact CA-OH 3.16Å; F198-Y203 AromaticContact CD2-CE1 3.71Å; F198-Y203 HydrophobicContact CD2-CE1 3.71Å; F198-Y203 AromaticContact CD2-CE2 3.76Å; F198-Y203 HydrophobicContact CD2-CE2 3.76Å; F198-Y203 AromaticContact CD2-CZ 3.28Å; F198-Y203 WeakPolarHBondContact CD2-OH 3.41Å; F198-Y203 HydrophobicContact CE2-CD1 4.16Å; F198-Y203 AromaticContact CE2-CD2 3.88Å; F198-Y203 HydrophobicContact CE2-CD2 3.88Å; F198-Y203 AromaticContact CE2-CE1 3.79Å; F198-Y203 HydrophobicContact CE2-CE1 3.79Å; F198-Y203 AromaticContact CE2-CE2 3.47Å; F198-Y203 HydrophobicContact CE2-CE2 3.47Å; F198-Y203 VanDerWaalsContact CE2-CE2 3.47Å; F198-Y203 HydrophobicContact CE2-CG 4.21Å; F198-Y203 AromaticContact CE2-CZ 3.43Å; F198-Y203 VanDerWaalsContact CE2-CZ 3.43Å; F198-Y203 HydrophobicContact CZ-CE2 4.23Å; F198-Y203 PolarHBondContact O-OH 2.88Å; F198-G208 WeakPolarHBondContact CE2-O 3.22Å; F198-L209 HydrophobicContact CZ-CB 4.32Å; F198-Y212 HydrophobicContact CB-CD2 4.13Å; F198-Y212 HydrophobicContact CB-CE2 4.31Å; F198-Y212 HydrophobicContact CD2-CD2 4.05Å; F198-Y212 HydrophobicContact CD2-CG 4.18Å; F198-Y212 HydrophobicContact CG-CD2 4.47Å |
| 199 | S | 78 | Confident | 81.8 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -118.2 | 12 | -177.5 | 81.7 | 0 | 0 | 0 | 0 | 114.4 | A194 S197 Y203 | A194-S199 VanDerWaalsContact CA-OG 3.31Å; A194-S199 WeakPolarHBondContact CA-OG 3.32Å; A194-S199 PolarHBondContact O-N 2.84Å; A194-S199 PolarHBondContact O-OG 3.02Å; S197-S199 VanDerWaalsContact C-N 3.33Å; S197-S199 PolarHBondContact O-N 3.23Å; S197-S199 PolarHBondContact OG-OG 3.16Å; S199-Y203 PolarHBondContact N-OH 3.39Å; S199-Y203 VanDerWaalsContact N-OH 3.12Å | ||
| 200 | E | 78.5 | Confident | 81.2 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | trans | -69.2 | 149.7 | 173.6 | -59.5 | -176 | 152.4 | 0 | 0 | 111.9 | A194 S195 Y203 | A194-E200 HydrophobicContact CB-CG 4.48Å; S195-E200 VanDerWaalsContact CB-OE1 3.25Å; S195-E200 WeakPolarHBondContact CB-OE1 3.31Å; E200-Y203 HydrophobicContact CB-CE1 4.07Å; E200-Y203 HydrophobicContact CB-CE2 4.17Å; E200-Y203 PolarHBondContact N-OH 3.15Å; E200-Y203 WeakPolarHBondContact O-CE2 3.32Å | ||
| 201 | D | 67.6 | Low | 80.6 | Confident | 155 Ų | 155 | 53.5 Ų | 53.5 | 83% | 0.829 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -76.9 | -27.3 | -176.9 | -72.9 | -43.4 | 0 | 0 | 0 | 113.2 | ||
| 202 | D | 74.9 | Confident | 80.3 | Confident | 122 Ų | 122 | 53 Ų | 53 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | trans | -132.3 | 115.2 | -174.8 | -171.8 | 14.1 | 0 | 0 | 0 | 111.7 | G204 | D202-G204 WeakPolarHBondContact OD1-CA 3.42Å; D202-G204 PolarHBondContact OD1-N 3.43Å | ||
| 203 | Y | 77.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 9% | 0.09 | 28% | 0.282 | C | S | . | . | trans | -111 | 20.5 | 169.7 | -62.9 | -80.5 | 0 | 0 | 0 | 111.5 | F198 S199 E200 V211 | F198-Y203 WeakPolarHBondContact CA-OH 3.16Å; F198-Y203 AromaticContact CD2-CE1 3.71Å; F198-Y203 HydrophobicContact CD2-CE1 3.71Å; F198-Y203 AromaticContact CD2-CE2 3.76Å; F198-Y203 HydrophobicContact CD2-CE2 3.76Å; F198-Y203 AromaticContact CD2-CZ 3.28Å; F198-Y203 WeakPolarHBondContact CD2-OH 3.41Å; F198-Y203 HydrophobicContact CE2-CD1 4.16Å; F198-Y203 AromaticContact CE2-CD2 3.88Å; F198-Y203 HydrophobicContact CE2-CD2 3.88Å; F198-Y203 AromaticContact CE2-CE1 3.79Å; F198-Y203 HydrophobicContact CE2-CE1 3.79Å; F198-Y203 AromaticContact CE2-CE2 3.47Å; F198-Y203 HydrophobicContact CE2-CE2 3.47Å; F198-Y203 VanDerWaalsContact CE2-CE2 3.47Å; F198-Y203 HydrophobicContact CE2-CG 4.21Å; F198-Y203 AromaticContact CE2-CZ 3.43Å; F198-Y203 VanDerWaalsContact CE2-CZ 3.43Å; F198-Y203 HydrophobicContact CZ-CE2 4.23Å; F198-Y203 PolarHBondContact O-OH 2.88Å; S199-Y203 PolarHBondContact N-OH 3.39Å; S199-Y203 VanDerWaalsContact N-OH 3.12Å; E200-Y203 HydrophobicContact CB-CE1 4.07Å; E200-Y203 HydrophobicContact CB-CE2 4.17Å; E200-Y203 PolarHBondContact N-OH 3.15Å; E200-Y203 WeakPolarHBondContact O-CE2 3.32Å; Y203-V211 HydrophobicContact CD1-CB 4.41Å; Y203-V211 HydrophobicContact CD1-CG1 4.25Å; Y203-V211 VanDerWaalsContact O-CG2 3.3Å; Y203-V211 WeakPolarHBondContact O-CG2 3.48Å | ||
| 204 | G | 78 | Confident | 80.5 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -159.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D202 | D202-G204 WeakPolarHBondContact OD1-CA 3.42Å; D202-G204 PolarHBondContact OD1-N 3.43Å |
| 205 | N | 76.9 | Confident | 81.2 | Confident | 136 Ų | 136 | 49.4 Ų | 49.4 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.2 | -170.1 | -72.7 | -41.3 | 0 | 0 | 0 | 114.9 | ||
| 206 | D | 79.4 | Confident | 81.7 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -105.9 | -169.9 | -178.7 | -151.8 | -26 | 0 | 0 | 0 | 111 | V176 G208 | V176-D206 WeakPolarHBondContact CG1-OD1 3.45Å; V176-D206 WeakPolarHBondContact CG2-OD1 3.25Å; D206-G208 PolarHBondContact O-N 3.37Å |
| 207 | S | 84.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | trans | -61.6 | 121.4 | 168.2 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | L209 A210 V211 | S207-L209 PolarHBondContact O-N 2.84Å; S207-A210 WeakPolarHBondContact O-CB 3.33Å; S207-A210 PolarHBondContact O-N 3.24Å; S207-V211 PolarHBondContact O-N 2.94Å | ||
| 208 | G | 82.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -29.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F180 F198 D206 A210 V211 Y212 | F180-G208 PolarHBondContact O-N 3.45Å; F198-G208 WeakPolarHBondContact CE2-O 3.22Å; D206-G208 PolarHBondContact O-N 3.37Å; G208-A210 VanDerWaalsContact C-N 3.31Å; G208-A210 PolarHBondContact O-N 2.69Å; G208-V211 PolarHBondContact O-N 3.33Å; G208-Y212 PolarHBondContact O-N 2.92Å |
| 209 | L | 84.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -33.6 | 176.5 | -172 | 63.2 | 0 | 0 | 0 | 112 | Y26 M82 W110 L169 F180 M188 F198 S207 Y212 V213 | Y26-L209 HydrophobicContact CE2-CD2 3.73Å; M82-L209 HydrophobicContact CE-CD2 4.45Å; W110-L209 HydrophobicContact CE3-CD1 4.11Å; W110-L209 HydrophobicContact CZ3-CD1 4.02Å; W110-L209 HydrophobicContact CZ3-CD2 4.43Å; W110-L209 HydrophobicContact CZ3-CG 4.49Å; L169-L209 HydrophobicContact CD1-CD2 4.46Å; L169-L209 HydrophobicContact CD2-CB 3.95Å; L169-L209 HydrophobicContact CD2-CD2 3.98Å; L169-L209 HydrophobicContact CD2-CG 3.74Å; F180-L209 HydrophobicContact CD1-CB 4.36Å; M188-L209 HydrophobicContact CE-CD1 4.08Å; F198-L209 HydrophobicContact CZ-CB 4.32Å; S207-L209 PolarHBondContact O-N 2.84Å; L209-Y212 HydrophobicContact CD1-CD1 4.41Å; L209-Y212 PolarHBondContact O-N 3.28Å; L209-V213 WeakPolarHBondContact O-CG2 3.48Å; L209-V213 PolarHBondContact O-N 3.18Å |
| 210 | A | 83.3 | Confident | 83.9 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L169 S207 G208 V213 A214 | L169-A210 HydrophobicContact CB-CB 4.35Å; L169-A210 HydrophobicContact CD2-CB 3.99Å; S207-A210 WeakPolarHBondContact O-CB 3.33Å; S207-A210 PolarHBondContact O-N 3.24Å; G208-A210 VanDerWaalsContact C-N 3.31Å; G208-A210 PolarHBondContact O-N 2.69Å; A210-V213 PolarHBondContact O-N 2.95Å; A210-A214 PolarHBondContact O-N 3.32Å |
| 211 | V | 82.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | Y203 S207 G208 V213 A214 N215 | Y203-V211 HydrophobicContact CD1-CB 4.41Å; Y203-V211 HydrophobicContact CD1-CG1 4.25Å; Y203-V211 VanDerWaalsContact O-CG2 3.3Å; Y203-V211 WeakPolarHBondContact O-CG2 3.48Å; S207-V211 PolarHBondContact O-N 2.94Å; G208-V211 PolarHBondContact O-N 3.33Å; V211-V213 VanDerWaalsContact C-N 3.33Å; V211-V213 PolarHBondContact O-N 3.19Å; V211-A214 PolarHBondContact O-N 3.49Å; V211-N215 WeakPolarHBondContact O-CB 3.37Å; V211-N215 PolarHBondContact O-N 3.21Å; V211-N215 VanDerWaalsContact O-N 3.1Å; V211-N215 PolarHBondContact O-ND2 2.88Å |
| 212 | Y | 87.8 | Confident | 86 | Confident | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.9 | -48.9 | 173.7 | 173.9 | -87.1 | 0 | 0 | 0 | 111.9 | W110 M188 S195 L196 F198 G208 L209 N215 A216 | W110-Y212 HydrophobicContact CD2-CE1 4.45Å; W110-Y212 AromaticContact CE2-CE1 3.63Å; W110-Y212 HydrophobicContact CZ2-CD1 4.22Å; W110-Y212 AromaticContact CZ2-CE1 3.85Å; W110-Y212 HydrophobicContact CZ2-CE1 3.85Å; W110-Y212 AromaticContact NE1-CE1 3.42Å; W110-Y212 AromaticContact NE1-CZ 3.95Å; M188-Y212 HydrophobicContact CE-CE1 4.41Å; M188-Y212 HydrophobicContact SD-CE1 4.37Å; M188-Y212 HydrophobicContact SD-CE2 4.27Å; S195-Y212 WeakPolarHBondContact O-CD2 3.14Å; S195-Y212 WeakPolarHBondContact O-CE2 3.35Å; L196-Y212 VanDerWaalsContact O-CE2 3.31Å; L196-Y212 WeakPolarHBondContact O-CE2 3.25Å; L196-Y212 PolarHBondContact O-OH 3.46Å; F198-Y212 HydrophobicContact CB-CD2 4.13Å; F198-Y212 HydrophobicContact CB-CE2 4.31Å; F198-Y212 HydrophobicContact CD2-CD2 4.05Å; F198-Y212 HydrophobicContact CD2-CG 4.18Å; F198-Y212 HydrophobicContact CG-CD2 4.47Å; G208-Y212 PolarHBondContact O-N 2.92Å; L209-Y212 HydrophobicContact CD1-CD1 4.41Å; L209-Y212 PolarHBondContact O-N 3.28Å; Y212-N215 PolarHBondContact O-N 2.81Å; Y212-A216 HydrophobicContact CE1-CB 4.19Å; Y212-A216 HydrophobicContact CE2-CB 4.5Å; Y212-A216 WeakPolarHBondContact O-CB 3.37Å; Y212-A216 PolarHBondContact O-N 3.35Å |
| 213 | V | 84.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | -178.4 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | W110 T166 L169 L209 A210 V211 N215 A216 I217 | W110-V213 HydrophobicContact CH2-CG2 3.29Å; W110-V213 HydrophobicContact CZ2-CG2 3.71Å; W110-V213 HydrophobicContact CZ3-CG2 4.25Å; T166-V213 HydrophobicContact CG2-CG1 4.33Å; L169-V213 HydrophobicContact CB-CB 4.16Å; L169-V213 HydrophobicContact CB-CG1 4.25Å; L169-V213 HydrophobicContact CB-CG2 4.23Å; L169-V213 HydrophobicContact CD1-CG2 4.17Å; L209-V213 WeakPolarHBondContact O-CG2 3.48Å; L209-V213 PolarHBondContact O-N 3.18Å; A210-V213 PolarHBondContact O-N 2.95Å; V211-V213 VanDerWaalsContact C-N 3.33Å; V211-V213 PolarHBondContact O-N 3.19Å; V213-N215 PolarHBondContact O-N 2.86Å; V213-A216 PolarHBondContact O-N 2.82Å; V213-I217 HydrophobicContact CB-CG1 4.35Å; V213-I217 HydrophobicContact CG1-CB 4.08Å; V213-I217 HydrophobicContact CG1-CG1 3.94Å; V213-I217 HydrophobicContact CG2-CG1 4.35Å; V213-I217 WeakPolarHBondContact O-CB 3.14Å; V213-I217 PolarHBondContact O-N 2.72Å |
| 214 | A | 86.1 | Confident | 88.1 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58 | -32.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K140 A210 V211 | K140-A214 PolarHBondContact NZ-O 2.91Å; A210-A214 PolarHBondContact O-N 3.32Å; V211-A214 PolarHBondContact O-N 3.49Å |
| 215 | N | 87.1 | Confident | 89 | Confident | 107 Ų | 107 | 43.6 Ų | 43.6 | 57% | 0.572 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -81.3 | -43.8 | 179.3 | -71.7 | -20.1 | 0 | 0 | 0 | 112.9 | K140 V211 Y212 V213 | K140-N215 WeakPolarHBondContact CD-O 3.41Å; K140-N215 WeakPolarHBondContact CE-O 3.31Å; K140-N215 PolarHBondContact NZ-O 2.82Å; V211-N215 WeakPolarHBondContact O-CB 3.37Å; V211-N215 PolarHBondContact O-N 3.21Å; V211-N215 VanDerWaalsContact O-N 3.1Å; V211-N215 PolarHBondContact O-ND2 2.88Å; Y212-N215 PolarHBondContact O-N 2.81Å; V213-N215 PolarHBondContact O-N 2.86Å |
| 216 | A | 89.3 | Confident | 90.1 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -98.3 | -34.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y139 K140 L196 Y212 V213 | Y139-A216 WeakPolarHBondContact CA-O 3.33Å; Y139-A216 HydrophobicContact CD1-CB 3.98Å; Y139-A216 WeakPolarHBondContact CD1-O 3.33Å; Y139-A216 HydrophobicContact CE1-CB 4.13Å; K140-A216 PolarHBondContact N-O 3.43Å; L196-A216 HydrophobicContact CD2-CB 4.34Å; Y212-A216 HydrophobicContact CE1-CB 4.19Å; Y212-A216 HydrophobicContact CE2-CB 4.5Å; Y212-A216 WeakPolarHBondContact O-CB 3.37Å; Y212-A216 PolarHBondContact O-N 3.35Å; V213-A216 PolarHBondContact O-N 2.82Å |
| 217 | I | 93.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -86.7 | 143.9 | -172.1 | -56.9 | -49.5 | 0 | 0 | 0 | 110.6 | W110 Y137 Y139 K140 V213 P219 | W110-I217 HydrophobicContact CZ2-CD1 4.07Å; W110-I217 HydrophobicContact CZ2-CG1 4.12Å; Y137-I217 HydrophobicContact CD2-CD1 4.48Å; Y137-I217 HydrophobicContact CG-CD1 4.1Å; Y139-I217 HydrophobicContact CD1-CD1 3.79Å; Y139-I217 HydrophobicContact CE1-CD1 3.62Å; Y139-I217 HydrophobicContact CE2-CD1 4.4Å; Y139-I217 HydrophobicContact CG-CD1 4.26Å; K140-I217 WeakPolarHBondContact CE-O 3.45Å; V213-I217 HydrophobicContact CB-CG1 4.35Å; V213-I217 HydrophobicContact CG1-CB 4.08Å; V213-I217 HydrophobicContact CG1-CG1 3.94Å; V213-I217 HydrophobicContact CG2-CG1 4.35Å; V213-I217 WeakPolarHBondContact O-CB 3.14Å; V213-I217 PolarHBondContact O-N 2.72Å; I217-P219 WeakPolarHBondContact O-CD 3.47Å |
| 218 | E | 94.3 | Very high | 91.6 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | trans | -76.4 | 112.4 | 176 | 178.4 | 58.8 | -99.6 | 0 | 0 | 110.4 | I138 A220 L221 | I138-E218 HydrophobicContact CG2-CB 4.33Å; I138-E218 WeakPolarHBondContact O-CB 3.48Å; I138-E218 PolarHBondContact O-N 2.79Å; I138-E218 VanDerWaalsContact O-N 3.08Å; E218-A220 WeakPolarHBondContact OE1-CB 3.04Å; E218-A220 PolarHBondContact OE1-N 2.87Å; E218-L221 HydrophobicContact CB-CD2 3.88Å; E218-L221 HydrophobicContact CB-CG 4.23Å; E218-L221 HydrophobicContact CG-CD2 3.56Å; E218-L221 HydrophobicContact CG-CG 4.02Å; E218-L221 WeakPolarHBondContact O-CG 3.39Å | ||
| 219 | P | 94 | Very high | 92.4 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 29% | 0.286 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.5 | -20.5 | 176.2 | 32.9 | -37.5 | 0 | 0 | 0 | 112.9 | P167 Y168 I217 L221 | P167-P219 HydrophobicContact CB-CB 4.35Å; Y168-P219 HydrophobicContact CE1-CB 4.32Å; Y168-P219 HydrophobicContact CE2-CB 3.82Å; I217-P219 WeakPolarHBondContact O-CD 3.47Å; P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 2.83Å |
| 220 | A | 94.7 | Very high | 93.1 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 61% | 0.612 | 24% | 0.244 | S | C | * | . | trans | -92.1 | 32.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E218 | E218-A220 WeakPolarHBondContact OE1-CB 3.04Å; E218-A220 PolarHBondContact OE1-N 2.87Å | ||
| 221 | L | 94.6 | Very high | 93.8 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | trans | -65.2 | 142 | 177.5 | -63.7 | 179.1 | 0 | 0 | 0 | 111.7 | I138 E218 P219 D225 | I138-L221 HydrophobicContact CB-CD1 4.08Å; I138-L221 HydrophobicContact CB-CD2 3.71Å; I138-L221 HydrophobicContact CD1-CD1 4.42Å; I138-L221 HydrophobicContact CD1-CD2 3.9Å; I138-L221 HydrophobicContact CG1-CD2 4.37Å; I138-L221 HydrophobicContact CG2-CD2 3.58Å; E218-L221 HydrophobicContact CB-CD2 3.88Å; E218-L221 HydrophobicContact CB-CG 4.23Å; E218-L221 HydrophobicContact CG-CD2 3.56Å; E218-L221 HydrophobicContact CG-CG 4.02Å; E218-L221 WeakPolarHBondContact O-CG 3.39Å; P219-L221 VanDerWaalsContact C-N 3.27Å; P219-L221 PolarHBondContact O-N 2.83Å; L221-D225 WeakPolarHBondContact CA-OD2 3.28Å; L221-D225 HydrophobicContact CD2-CB 4.15Å | ||
| 222 | S | 97.2 | Very high | 94.5 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 42% | 0.42 | 27% | 0.271 | S | S | . | . | trans | -132.4 | 172 | 175.4 | 69.8 | 0 | 0 | 0 | 0 | 109.9 | D224 D225 | S222-D224 PolarHBondContact O-N 2.94Å; S222-D224 PolarHBondContact OG-N 2.82Å; S222-D225 PolarHBondContact N-OD2 3.4Å; S222-D225 VanDerWaalsContact O-CB 3.31Å; S222-D225 WeakPolarHBondContact O-CB 3.43Å; S222-D225 PolarHBondContact O-N 2.8Å; S222-D225 VanDerWaalsContact O-N 3.1Å; S222-D225 PolarHBondContact OG-OD2 3.23Å; S222-D225 VanDerWaalsContact OG-OD2 3.09Å | ||
| 223 | W | 98 | Very high | 95 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 22% | 0.223 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -25.3 | 174.6 | -70.1 | 105.5 | 0 | 0 | 0 | 113.1 | D225 I226 V239 D247 Q250 A251 Y254 | W223-D225 PolarHBondContact O-N 2.84Å; W223-I226 HydrophobicContact CE3-CG1 4.1Å; W223-I226 VanDerWaalsContact O-CB 3.3Å; W223-I226 WeakPolarHBondContact O-CB 3.48Å; W223-I226 PolarHBondContact O-N 3.35Å; W223-V239 HydrophobicContact CZ3-CG1 4.4Å; W223-D247 HydrophobicContact CH2-CB 4.44Å; W223-D247 VanDerWaalsContact CH2-O 3.31Å; W223-D247 WeakPolarHBondContact CH2-O 3.36Å; W223-D247 HydrophobicContact CZ2-CB 3.94Å; W223-Q250 HydrophobicContact CD2-CB 3.95Å; W223-Q250 VanDerWaalsContact CE2-CB 3.45Å; W223-Q250 HydrophobicContact CE3-CB 4.4Å; W223-Q250 HydrophobicContact CH2-CB 4.03Å; W223-Q250 HydrophobicContact CZ2-CB 3.5Å; W223-Q250 HydrophobicContact CZ2-CG 4.41Å; W223-Q250 HydrophobicContact CZ3-CB 4.45Å; W223-A251 HydrophobicContact CH2-CB 3.77Å; W223-A251 VanDerWaalsContact CZ3-CA 3.45Å; W223-A251 HydrophobicContact CZ3-CB 3.73Å; W223-Y254 HydrophobicContact CB-CD1 4.02Å; W223-Y254 HydrophobicContact CB-CD2 3.82Å; W223-Y254 HydrophobicContact CB-CE1 3.6Å; W223-Y254 HydrophobicContact CB-CE2 3.36Å; W223-Y254 HydrophobicContact CB-CG 4.13Å; W223-Y254 HydrophobicContact CD2-CD2 4.38Å; W223-Y254 HydrophobicContact CE3-CD2 4.28Å; W223-Y254 HydrophobicContact CE3-CG 4.4Å; W223-Y254 HydrophobicContact CG-CD2 4.23Å; W223-Y254 AromaticContact CG-CE2 3.95Å; W223-Y254 HydrophobicContact CG-CE2 3.95Å; W223-Y254 WeakPolarHBondContact O-CD1 3.36Å; W223-Y254 WeakPolarHBondContact O-CE1 3.3Å |
| 224 | D | 97.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 62.4 Ų | 62.4 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -24 | 176.3 | -68.5 | -14.3 | 0 | 0 | 0 | 112.5 | S222 I226 T227 W228 Y254 | S222-D224 PolarHBondContact O-N 2.94Å; S222-D224 PolarHBondContact OG-N 2.82Å; D224-I226 VanDerWaalsContact C-N 3.27Å; D224-I226 PolarHBondContact O-N 3.16Å; D224-T227 WeakPolarHBondContact O-CB 3.18Å; D224-T227 PolarHBondContact O-N 3.48Å; D224-W228 PolarHBondContact O-N 3.34Å; D224-Y254 WeakPolarHBondContact OD1-CE1 3.32Å; D224-Y254 PolarHBondContact OD1-OH 3.41Å |
| 225 | D | 98.2 | Very high | 96.2 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.102 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -27.7 | 172.5 | -65.1 | -77.3 | 0 | 0 | 0 | 112.6 | I138 R142 L221 S222 W223 W228 L229 | I138-D225 HydrophobicContact CD1-CB 3.98Å; R142-D225 IonicContact CZ-OD1 3.62Å; R142-D225 IonicContact NH1-OD1 2.72Å; R142-D225 PolarHBondContact NH1-OD1 3.12Å; R142-D225 IonicContact NH2-OD1 2.81Å; R142-D225 PolarHBondContact NH2-OD1 3.04Å; L221-D225 WeakPolarHBondContact CA-OD2 3.28Å; L221-D225 HydrophobicContact CD2-CB 4.15Å; S222-D225 PolarHBondContact N-OD2 3.4Å; S222-D225 VanDerWaalsContact O-CB 3.31Å; S222-D225 WeakPolarHBondContact O-CB 3.43Å; S222-D225 PolarHBondContact O-N 2.8Å; S222-D225 VanDerWaalsContact O-N 3.1Å; S222-D225 PolarHBondContact OG-OD2 3.23Å; S222-D225 VanDerWaalsContact OG-OD2 3.09Å; W223-D225 PolarHBondContact O-N 2.84Å; D225-W228 PolarHBondContact O-N 2.89Å; D225-L229 WeakPolarHBondContact O-CB 3.16Å; D225-L229 PolarHBondContact O-N 2.93Å |
| 226 | I | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 172.1 | -57 | -57 | 0 | 0 | 0 | 110 | V162 W223 D224 L229 K230 V237 V239 V256 | V162-I226 HydrophobicContact CG1-CD1 4.31Å; W223-I226 HydrophobicContact CE3-CG1 4.1Å; W223-I226 VanDerWaalsContact O-CB 3.3Å; W223-I226 WeakPolarHBondContact O-CB 3.48Å; W223-I226 PolarHBondContact O-N 3.35Å; D224-I226 VanDerWaalsContact C-N 3.27Å; D224-I226 PolarHBondContact O-N 3.16Å; I226-L229 PolarHBondContact O-N 3.46Å; I226-K230 HydrophobicContact CG2-CD 4.15Å; I226-K230 WeakPolarHBondContact O-CB 3.28Å; I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 2.87Å; I226-V237 HydrophobicContact CG2-CG1 4.48Å; I226-V239 HydrophobicContact CD1-CG1 3.81Å; I226-V239 HydrophobicContact CG1-CG1 4.33Å; I226-V256 HydrophobicContact CG2-CG1 3.89Å |
| 227 | T | 97.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 31% | 0.307 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.5 | -67 | 0 | 0 | 0 | 0 | 111 | D224 K230 K231 Y254 | D224-T227 WeakPolarHBondContact O-CB 3.18Å; D224-T227 PolarHBondContact O-N 3.48Å; T227-K230 PolarHBondContact O-N 3.47Å; T227-K231 WeakPolarHBondContact O-CG 3.18Å; T227-K231 PolarHBondContact O-N 3.08Å; T227-Y254 VanDerWaalsContact OG1-CD1 3.25Å; T227-Y254 WeakPolarHBondContact OG1-CD1 3.31Å |
| 228 | W | 98.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.216 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.8 | -51 | 175 | 166.8 | 83.7 | 0 | 0 | 0 | 111.2 | I138 R142 T145 L146 D224 D225 K230 K231 H232 | I138-W228 HydrophobicContact CD1-CZ3 4.42Å; I138-W228 HydrophobicContact CG2-CZ3 4.46Å; R142-W228 HydrophobicContact CB-CH2 4.3Å; R142-W228 HydrophobicContact CB-CZ2 3.93Å; R142-W228 HydrophobicContact CG-CZ2 4.32Å; T145-W228 HydrophobicContact CG2-CH2 3.98Å; T145-W228 HydrophobicContact CG2-CZ3 4.17Å; L146-W228 HydrophobicContact CD1-CZ2 4.16Å; L146-W228 HydrophobicContact CD2-CH2 3.81Å; L146-W228 HydrophobicContact CD2-CZ2 3.66Å; L146-W228 HydrophobicContact CG-CH2 4.11Å; L146-W228 HydrophobicContact CG-CZ2 3.81Å; D224-W228 PolarHBondContact O-N 3.34Å; D225-W228 PolarHBondContact O-N 2.89Å; W228-K230 PolarHBondContact O-N 2.84Å; W228-K231 WeakPolarHBondContact O-CB 3.21Å; W228-K231 PolarHBondContact O-N 3.11Å; W228-K231 VanDerWaalsContact O-N 3.13Å; W228-H232 AromaticContact CD1-CE1 3.5Å; W228-H232 VanDerWaalsContact CD1-CE1 3.5Å; W228-H232 AromaticContact CD1-ND1 3.91Å; W228-H232 AromaticContact CE2-CE1 3.97Å; W228-H232 AromaticContact CE2-ND1 3.99Å; W228-H232 AromaticContact NE1-CE1 3.27Å; W228-H232 PolarHBondContact NE1-CE1 2.87Å; W228-H232 VanDerWaalsContact NE1-CE1 3.27Å; W228-H232 AromaticContact NE1-ND1 3.71Å; W228-H232 PolarHBondContact O-ND1 2.99Å |
| 229 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | -178.2 | 179.4 | 66 | 0 | 0 | 0 | 111.4 | L136 V149 L160 V162 D225 I226 K231 H232 T233 V237 | L136-L229 HydrophobicContact CD2-CD1 3.88Å; L136-L229 HydrophobicContact CD2-CD2 4.07Å; V149-L229 HydrophobicContact CG2-CD1 3.77Å; L160-L229 HydrophobicContact CD1-CD1 4.41Å; L160-L229 HydrophobicContact CD1-CD2 4.43Å; V162-L229 HydrophobicContact CG2-CD2 3.2Å; D225-L229 WeakPolarHBondContact O-CB 3.16Å; D225-L229 PolarHBondContact O-N 2.93Å; I226-L229 PolarHBondContact O-N 3.46Å; L229-K231 PolarHBondContact O-N 3.35Å; L229-H232 PolarHBondContact O-N 2.88Å; L229-T233 WeakPolarHBondContact O-CG2 3.49Å; L229-T233 PolarHBondContact O-N 3.3Å; L229-V237 HydrophobicContact CD2-CG1 4.17Å; L229-V237 HydrophobicContact CD2-CG2 4.25Å |
| 230 | K | 98.3 | Very high | 97.9 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -25.7 | 178.8 | -75.1 | 176.9 | 56.9 | -177.9 | 0 | 113.6 | I226 T227 W228 H232 T233 V237 Y254 G255 | I226-K230 HydrophobicContact CG2-CD 4.15Å; I226-K230 WeakPolarHBondContact O-CB 3.28Å; I226-K230 WeakPolarHBondContact O-CG 3.45Å; I226-K230 PolarHBondContact O-N 2.87Å; T227-K230 PolarHBondContact O-N 3.47Å; W228-K230 PolarHBondContact O-N 2.84Å; K230-H232 PolarHBondContact O-N 2.86Å; K230-T233 VanDerWaalsContact O-O 3.07Å; K230-V237 HydrophobicContact CG-CB 4.1Å; K230-V237 HydrophobicContact CG-CG2 3.78Å; K230-Y254 PolarHBondContact NZ-O 3.19Å; K230-G255 PolarHBondContact NZ-O 3Å |
| 231 | K | 98.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 51.4 Ų | 51.4 | 71% | 0.713 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.3 | -19.4 | 172.8 | -72.1 | 171.4 | 179.6 | 177 | 0 | 112.9 | T227 W228 L229 | T227-K231 WeakPolarHBondContact O-CG 3.18Å; T227-K231 PolarHBondContact O-N 3.08Å; W228-K231 WeakPolarHBondContact O-CB 3.21Å; W228-K231 PolarHBondContact O-N 3.11Å; W228-K231 VanDerWaalsContact O-N 3.13Å; L229-K231 PolarHBondContact O-N 3.35Å |
| 232 | H | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 6.2 | -174.3 | -61.7 | 85.9 | 0 | 0 | 0 | 114 | L146 W228 L229 K230 | L146-H232 HydrophobicContact CD2-CB 3.46Å; L146-H232 VanDerWaalsContact CD2-CB 3.46Å; W228-H232 AromaticContact CD1-CE1 3.5Å; W228-H232 VanDerWaalsContact CD1-CE1 3.5Å; W228-H232 AromaticContact CD1-ND1 3.91Å; W228-H232 AromaticContact CE2-CE1 3.97Å; W228-H232 AromaticContact CE2-ND1 3.99Å; W228-H232 AromaticContact NE1-CE1 3.27Å; W228-H232 PolarHBondContact NE1-CE1 2.87Å; W228-H232 VanDerWaalsContact NE1-CE1 3.27Å; W228-H232 AromaticContact NE1-ND1 3.71Å; W228-H232 PolarHBondContact O-ND1 2.99Å; L229-H232 PolarHBondContact O-N 2.88Å; K230-H232 PolarHBondContact O-N 2.86Å |
| 233 | T | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | trans | -144.9 | 152.2 | 178 | -172.8 | 0 | 0 | 0 | 0 | 111 | E153 L160 L229 K230 L235 V237 | E153-T233 WeakPolarHBondContact OE1-CA 3.22Å; E153-T233 WeakPolarHBondContact OE1-CB 3.24Å; E153-T233 PolarHBondContact OE1-OG1 3.18Å; L160-T233 HydrophobicContact CD1-CG2 3.92Å; L229-T233 WeakPolarHBondContact O-CG2 3.49Å; L229-T233 PolarHBondContact O-N 3.3Å; K230-T233 VanDerWaalsContact O-O 3.07Å; T233-L235 WeakPolarHBondContact OG1-CB 3.28Å; T233-L235 PolarHBondContact OG1-N 3.38Å; T233-L235 VanDerWaalsContact OG1-N 3.08Å; T233-V237 HydrophobicContact CG2-CG2 3.94Å | ||
| 234 | R | 96.8 | Very high | 98.4 | Very high | 245 Ų | 245 | 47.3 Ų | 47.3 | 93% | 0.925 | 22% | 0.223 | S | C | * | . | trans | -100 | -5.9 | 168.3 | -61.9 | -179.1 | -177.2 | -178.1 | 0.6 | 112.4 | E153 | E153-R234 PolarHBondContact OE1-N 2.93Š| ||
| 235 | L | 98.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -70.4 | 146 | 178.6 | -64.3 | 178.1 | 0 | 0 | 0 | 110.5 | E153 Y157 L160 T233 V237 | E153-L235 HydrophobicContact CG-CD1 3.53Å; E153-L235 HydrophobicContact CG-CD2 4.37Å; E153-L235 HydrophobicContact CG-CG 3.64Å; Y157-L235 WeakPolarHBondContact O-CD2 3.25Å; L160-L235 HydrophobicContact CD2-CD1 3.96Å; L160-L235 HydrophobicContact CG-CB 4.17Å; L160-L235 HydrophobicContact CG-CD1 4Å; T233-L235 WeakPolarHBondContact OG1-CB 3.28Å; T233-L235 PolarHBondContact OG1-N 3.38Å; T233-L235 VanDerWaalsContact OG1-N 3.08Å; L235-V237 PolarHBondContact O-N 3.29Å |
| 236 | P | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 48.9 Ų | 48.9 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | trans | -48.9 | 130.5 | 163.2 | -26.6 | 34.3 | 0 | 0 | 0 | 111 | K158 A159 L160 I238 S257 | K158-P236 VanDerWaalsContact O-CD 3.3Å; K158-P236 WeakPolarHBondContact O-CD 3.36Å; A159-P236 WeakPolarHBondContact CA-O 3.4Å; A159-P236 HydrophobicContact CB-CB 4.08Å; L160-P236 PolarHBondContact N-O 3.22Å; P236-I238 HydrophobicContact CB-CD1 4.11Å; P236-S257 WeakPolarHBondContact CA-OG 3.42Å | ||
| 237 | V | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.2 | 176 | 174.9 | 0 | 0 | 0 | 0 | 108.7 | V162 I226 L229 K230 T233 L235 V256 S257 | V162-V237 HydrophobicContact CG2-CG1 3.82Å; I226-V237 HydrophobicContact CG2-CG1 4.48Å; L229-V237 HydrophobicContact CD2-CG1 4.17Å; L229-V237 HydrophobicContact CD2-CG2 4.25Å; K230-V237 HydrophobicContact CG-CB 4.1Å; K230-V237 HydrophobicContact CG-CG2 3.78Å; T233-V237 HydrophobicContact CG2-CG2 3.94Å; L235-V237 PolarHBondContact O-N 3.29Å; V237-V256 WeakPolarHBondContact O-CB 3.17Å; V237-S257 PolarHBondContact O-N 2.92Å |
| 238 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.9 | 178.9 | -64.5 | 80.4 | 0 | 0 | 0 | 107.1 | L67 A159 L160 F161 V162 P236 G258 L260 F293 | L67-I238 HydrophobicContact CD1-CD1 3.57Å; L67-I238 HydrophobicContact CD1-CG1 4.17Å; L67-I238 HydrophobicContact CD2-CD1 4Å; L67-I238 HydrophobicContact CD2-CG1 4.17Å; L67-I238 HydrophobicContact CG-CD1 4.45Å; A159-I238 HydrophobicContact CB-CD1 3.68Å; L160-I238 PolarHBondContact O-N 3.18Å; F161-I238 CarbonylContact C-O 3.39Å; F161-I238 WeakPolarHBondContact CA-O 3.45Å; F161-I238 HydrophobicContact CD1-CB 3.81Å; F161-I238 HydrophobicContact CD1-CG1 4.47Å; F161-I238 HydrophobicContact CD1-CG2 3.51Å; F161-I238 HydrophobicContact CD2-CB 4.44Å; F161-I238 HydrophobicContact CD2-CD1 4.37Å; F161-I238 HydrophobicContact CE1-CB 3.98Å; F161-I238 HydrophobicContact CE1-CG1 4.2Å; F161-I238 HydrophobicContact CE1-CG2 3.58Å; F161-I238 HydrophobicContact CE2-CD1 4.09Å; F161-I238 HydrophobicContact CE2-CG1 4.37Å; F161-I238 HydrophobicContact CG-CB 4.06Å; F161-I238 HydrophobicContact CG-CG2 4.26Å; F161-I238 HydrophobicContact CZ-CB 4.35Å; F161-I238 HydrophobicContact CZ-CD1 4.3Å; F161-I238 HydrophobicContact CZ-CG1 4.13Å; F161-I238 HydrophobicContact CZ-CG2 4.35Å; V162-I238 PolarHBondContact N-O 3.3Å; P236-I238 HydrophobicContact CB-CD1 4.11Å; I238-G258 WeakPolarHBondContact CA-O 3.36Å; I238-L260 HydrophobicContact CG2-CB 4.25Å; I238-F293 HydrophobicContact CG1-CE2 4.19Å; I238-F293 HydrophobicContact CG2-CD2 4.25Å; I238-F293 HydrophobicContact CG2-CE2 4.27Å |
| 239 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125 | 172.5 | -68.9 | 0 | 0 | 0 | 0 | 109.9 | V164 W223 I226 V242 A251 V256 G258 I259 L260 | V164-V239 HydrophobicContact CG1-CG1 4.49Å; W223-V239 HydrophobicContact CZ3-CG1 4.4Å; I226-V239 HydrophobicContact CD1-CG1 3.81Å; I226-V239 HydrophobicContact CG1-CG1 4.33Å; V239-V242 HydrophobicContact CB-CG2 4.44Å; V239-V242 HydrophobicContact CG2-CG2 3.84Å; V239-A251 HydrophobicContact CG2-CB 3.64Å; V239-V256 HydrophobicContact CG1-CG1 3.82Å; V239-V256 HydrophobicContact CG2-CG1 4.39Å; V239-V256 HydrophobicContact CG2-CG2 4.43Å; V239-G258 PolarHBondContact N-O 3.1Å; V239-I259 HydrophobicContact CG2-CB 4.4Å; V239-I259 HydrophobicContact CG2-CG1 3.75Å; V239-I259 WeakPolarHBondContact O-CA 3.49Å; V239-L260 PolarHBondContact O-N 3.48Å |
| 240 | K | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.7 | 178.5 | 172.5 | -175.2 | -179.5 | -56.2 | 0 | 109.5 | M106 V162 T163 V164 L260 S262 D295 | M106-K240 HydrophobicContact CE-CD 4.25Å; V162-K240 PolarHBondContact O-N 2.97Å; T163-K240 WeakPolarHBondContact CA-O 3.39Å; V164-K240 WeakPolarHBondContact CG2-O 3.41Å; V164-K240 PolarHBondContact N-O 2.97Å; K240-L260 HydrophobicContact CB-CB 4.12Å; K240-L260 HydrophobicContact CB-CD2 4.1Å; K240-L260 HydrophobicContact CB-CG 4.35Å; K240-L260 HydrophobicContact CD-CD2 3.73Å; K240-L260 HydrophobicContact CG-CB 4.3Å; K240-L260 HydrophobicContact CG-CD2 3.63Å; K240-L260 HydrophobicContact CG-CG 3.98Å; K240-S262 PolarHBondContact NZ-OG 3Å; K240-S262 VanDerWaalsContact NZ-OG 3.08Å; K240-D295 WeakPolarHBondContact CE-OD2 3.48Å; K240-D295 IonicContact NZ-OD2 3.82Å |
| 241 | G | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.4 | 7.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D165 L260 S262 | D165-G241 WeakPolarHBondContact OD2-CA 3.43Å; G241-L260 PolarHBondContact N-O 2.97Å; G241-L260 VanDerWaalsContact N-O 3.13Å; G241-S262 CarbonylContact C-O 3.5Å; G241-S262 VanDerWaalsContact CA-O 3.31Å; G241-S262 WeakPolarHBondContact CA-O 3.3Å |
| 242 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.024 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132 | 179 | 177.8 | 0 | 0 | 0 | 0 | 109.7 | V239 N244 D247 A248 I259 V261 V282 | V239-V242 HydrophobicContact CB-CG2 4.44Å; V239-V242 HydrophobicContact CG2-CG2 3.84Å; V242-N244 WeakPolarHBondContact CG1-O 3.46Å; V242-D247 HydrophobicContact CG1-CB 4.02Å; V242-A248 HydrophobicContact CG1-CB 4.23Å; V242-I259 HydrophobicContact CB-CG2 3.71Å; V242-I259 HydrophobicContact CG1-CG2 4.14Å; V242-I259 HydrophobicContact CG2-CG2 3.94Å; V242-V261 WeakPolarHBondContact O-CA 3.3Å; V242-V282 HydrophobicContact CG1-CG2 4.4Å |
| 243 | L | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 18% | 0.183 | 21% | 0.206 | C | C | . | . | trans | -125.5 | 0.3 | -178.5 | -68.4 | 177 | 0 | 0 | 0 | 114.3 | V261 S262 N263 V272 T275 V278 | L243-V261 HydrophobicContact CD2-CG1 4.47Å; L243-S262 WeakPolarHBondContact CD2-O 3.37Å; L243-N263 HydrophobicContact CD1-CB 3.99Å; L243-N263 HydrophobicContact CD2-CB 4.03Å; L243-V272 HydrophobicContact CD1-CB 3.97Å; L243-V272 HydrophobicContact CD1-CG1 4.27Å; L243-V272 HydrophobicContact CD1-CG2 3.97Å; L243-T275 HydrophobicContact CD2-CG2 4.04Å; L243-V278 HydrophobicContact CD2-CG2 3.99Å; L243-V278 WeakPolarHBondContact O-CB 3.49Å; L243-V278 WeakPolarHBondContact O-CG1 3.36Å | ||
| 244 | N | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -143 | 161.6 | -176.9 | 68.9 | 67 | 0 | 0 | 0 | 111.7 | V242 Q246 D247 A248 | V242-N244 WeakPolarHBondContact CG1-O 3.46Å; N244-Q246 WeakPolarHBondContact OD1-CA 3.28Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.5Å; N244-Q246 PolarHBondContact OD1-N 3.41Å; N244-D247 PolarHBondContact ND2-OD2 2.91Å; N244-D247 PolarHBondContact OD1-N 3.25Å; N244-A248 PolarHBondContact O-N 2.81Å |
| 245 | G | 98.4 | Very high | 98.6 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.8 | -29.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A248 V249 E281 | G245-A248 WeakPolarHBondContact O-CB 3.49Å; G245-A248 PolarHBondContact O-N 3.35Å; G245-V249 WeakPolarHBondContact O-CG2 3.34Å; G245-V249 PolarHBondContact O-N 3.4Å; G245-E281 PolarHBondContact N-OE1 2.75Å |
| 246 | Q | 98.5 | Very high | 98.6 | Very high | 145 Ų | 145 | 32.7 Ų | 32.7 | 68% | 0.678 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -63.3 | -50.3 | 179.1 | 172.3 | 178.7 | -18.5 | 0 | 0 | 111.3 | N244 A248 V249 Q250 | N244-Q246 WeakPolarHBondContact OD1-CA 3.28Å; N244-Q246 WeakPolarHBondContact OD1-CB 3.5Å; N244-Q246 PolarHBondContact OD1-N 3.41Å; Q246-A248 VanDerWaalsContact C-N 3.3Å; Q246-A248 PolarHBondContact O-N 3.41Å; Q246-V249 PolarHBondContact O-N 3.01Å; Q246-Q250 PolarHBondContact O-N 2.94Å |
| 247 | D | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.7 | -30.3 | 177.8 | -69.8 | -32.1 | 0 | 0 | 0 | 111.5 | W223 V242 N244 Q250 A251 | W223-D247 HydrophobicContact CH2-CB 4.44Å; W223-D247 VanDerWaalsContact CH2-O 3.31Å; W223-D247 WeakPolarHBondContact CH2-O 3.36Å; W223-D247 HydrophobicContact CZ2-CB 3.94Å; V242-D247 HydrophobicContact CG1-CB 4.02Å; N244-D247 PolarHBondContact ND2-OD2 2.91Å; N244-D247 PolarHBondContact OD1-N 3.25Å; D247-Q250 PolarHBondContact O-N 3.26Å; D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 3.49Å |
| 248 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | V242 N244 G245 Q246 A251 V252 I259 V282 A285 V286 | V242-A248 HydrophobicContact CG1-CB 4.23Å; N244-A248 PolarHBondContact O-N 2.81Å; G245-A248 WeakPolarHBondContact O-CB 3.49Å; G245-A248 PolarHBondContact O-N 3.35Å; Q246-A248 VanDerWaalsContact C-N 3.3Å; Q246-A248 PolarHBondContact O-N 3.41Å; A248-A251 PolarHBondContact O-N 3.18Å; A248-V252 WeakPolarHBondContact O-CG2 3.39Å; A248-V252 PolarHBondContact O-N 3.05Å; A248-V252 VanDerWaalsContact O-N 3.14Å; A248-I259 HydrophobicContact CB-CD1 3.93Å; A248-V282 HydrophobicContact CB-CB 4.45Å; A248-V282 HydrophobicContact CB-CG1 3.83Å; A248-V282 HydrophobicContact CB-CG2 4.48Å; A248-A285 HydrophobicContact CB-CB 4.07Å; A248-V286 HydrophobicContact CB-CG2 4.17Å |
| 249 | V | 98.7 | Very high | 98.6 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 174 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | G245 Q246 V252 N253 A285 | G245-V249 WeakPolarHBondContact O-CG2 3.34Å; G245-V249 PolarHBondContact O-N 3.4Å; Q246-V249 PolarHBondContact O-N 3.01Å; V249-V252 PolarHBondContact O-N 2.92Å; V249-N253 PolarHBondContact O-N 3.38Å; V249-N253 PolarHBondContact O-ND2 3.22Å; V249-N253 PolarHBondContact O-OD1 2.77Å; V249-A285 HydrophobicContact CG2-CB 4.17Å |
| 250 | Q | 98.6 | Very high | 98.6 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 175.9 | -70.3 | -60.8 | -38.3 | 0 | 0 | 111.5 | W223 Q246 D247 V252 N253 Y254 | W223-Q250 HydrophobicContact CD2-CB 3.95Å; W223-Q250 VanDerWaalsContact CE2-CB 3.45Å; W223-Q250 HydrophobicContact CE3-CB 4.4Å; W223-Q250 HydrophobicContact CH2-CB 4.03Å; W223-Q250 HydrophobicContact CZ2-CB 3.5Å; W223-Q250 HydrophobicContact CZ2-CG 4.41Å; W223-Q250 HydrophobicContact CZ3-CB 4.45Å; Q246-Q250 PolarHBondContact O-N 2.94Å; D247-Q250 PolarHBondContact O-N 3.26Å; Q250-V252 VanDerWaalsContact C-N 3.26Å; Q250-V252 PolarHBondContact O-N 3.32Å; Q250-N253 WeakPolarHBondContact O-CA 3.42Å; Q250-N253 WeakPolarHBondContact O-CB 3.48Å; Q250-N253 PolarHBondContact O-N 3.16Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.46Å; Q250-Y254 PolarHBondContact O-N 3.09Å |
| 251 | A | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.7 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | W223 V239 D247 A248 Y254 G255 V256 I259 | W223-A251 HydrophobicContact CH2-CB 3.77Å; W223-A251 VanDerWaalsContact CZ3-CA 3.45Å; W223-A251 HydrophobicContact CZ3-CB 3.73Å; V239-A251 HydrophobicContact CG2-CB 3.64Å; D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 3.49Å; A248-A251 PolarHBondContact O-N 3.18Å; A251-Y254 CarbonylContact O-C 3.52Å; A251-Y254 PolarHBondContact O-N 3.37Å; A251-G255 PolarHBondContact O-N 3.22Å; A251-V256 HydrophobicContact CB-CG1 4.29Å; A251-V256 HydrophobicContact CB-CG2 3.8Å; A251-V256 WeakPolarHBondContact O-CG1 3.45Å; A251-V256 WeakPolarHBondContact O-CG2 3.42Å; A251-V256 PolarHBondContact O-N 2.76Å; A251-I259 HydrophobicContact CB-CD1 3.95Å; A251-I259 HydrophobicContact CB-CG1 3.96Å |
| 252 | V | 98.3 | Very high | 98.6 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 11% | 0.109 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | A248 V249 Q250 Y254 G255 V286 R289 | A248-V252 WeakPolarHBondContact O-CG2 3.39Å; A248-V252 PolarHBondContact O-N 3.05Å; A248-V252 VanDerWaalsContact O-N 3.14Å; V249-V252 PolarHBondContact O-N 2.92Å; Q250-V252 VanDerWaalsContact C-N 3.26Å; Q250-V252 PolarHBondContact O-N 3.32Å; V252-Y254 PolarHBondContact O-N 2.84Å; V252-G255 VanDerWaalsContact O-CA 3.31Å; V252-G255 WeakPolarHBondContact O-CA 3.43Å; V252-G255 PolarHBondContact O-N 3.29Å; V252-V286 HydrophobicContact CG2-CB 4.39Å; V252-V286 HydrophobicContact CG2-CG1 4.1Å; V252-V286 HydrophobicContact CG2-CG2 4.09Å; V252-R289 HydrophobicContact CG1-CB 3.59Å; V252-R289 HydrophobicContact CG1-CG 4.24Å; V252-R289 VanDerWaalsContact CG1-NH1 3.25Å; V252-R289 HydrophobicContact CG2-CB 4.46Å |
| 253 | N | 98.3 | Very high | 98.6 | Very high | 95 Ų | 95 | 32.5 Ų | 32.5 | 51% | 0.508 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -31.3 | 176.7 | -66.9 | -14.6 | 0 | 0 | 0 | 112.2 | V249 Q250 G255 | V249-N253 PolarHBondContact O-N 3.38Å; V249-N253 PolarHBondContact O-ND2 3.22Å; V249-N253 PolarHBondContact O-OD1 2.77Å; Q250-N253 WeakPolarHBondContact O-CA 3.42Å; Q250-N253 WeakPolarHBondContact O-CB 3.48Å; Q250-N253 PolarHBondContact O-N 3.16Å; N253-G255 PolarHBondContact O-N 3.25Å |
| 254 | Y | 98.4 | Very high | 98.6 | Very high | 59 Ų | 59 | 32.3 Ų | 32.3 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.3 | 171.6 | -79.4 | -99.1 | 0 | 0 | 0 | 113.2 | W223 D224 T227 K230 Q250 A251 V252 | W223-Y254 HydrophobicContact CB-CD1 4.02Å; W223-Y254 HydrophobicContact CB-CD2 3.82Å; W223-Y254 HydrophobicContact CB-CE1 3.6Å; W223-Y254 HydrophobicContact CB-CE2 3.36Å; W223-Y254 HydrophobicContact CB-CG 4.13Å; W223-Y254 HydrophobicContact CD2-CD2 4.38Å; W223-Y254 HydrophobicContact CE3-CD2 4.28Å; W223-Y254 HydrophobicContact CE3-CG 4.4Å; W223-Y254 HydrophobicContact CG-CD2 4.23Å; W223-Y254 AromaticContact CG-CE2 3.95Å; W223-Y254 HydrophobicContact CG-CE2 3.95Å; W223-Y254 WeakPolarHBondContact O-CD1 3.36Å; W223-Y254 WeakPolarHBondContact O-CE1 3.3Å; D224-Y254 WeakPolarHBondContact OD1-CE1 3.32Å; D224-Y254 PolarHBondContact OD1-OH 3.41Å; T227-Y254 VanDerWaalsContact OG1-CD1 3.25Å; T227-Y254 WeakPolarHBondContact OG1-CD1 3.31Å; K230-Y254 PolarHBondContact NZ-O 3.19Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.46Å; Q250-Y254 PolarHBondContact O-N 3.09Å; A251-Y254 CarbonylContact O-C 3.52Å; A251-Y254 PolarHBondContact O-N 3.37Å; V252-Y254 PolarHBondContact O-N 2.84Å |
| 255 | G | 97.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 34.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K230 A251 V252 N253 | K230-G255 PolarHBondContact NZ-O 3Å; A251-G255 PolarHBondContact O-N 3.22Å; V252-G255 VanDerWaalsContact O-CA 3.31Å; V252-G255 WeakPolarHBondContact O-CA 3.43Å; V252-G255 PolarHBondContact O-N 3.29Å; N253-G255 PolarHBondContact O-N 3.25Å |
| 256 | V | 98.5 | Very high | 98.6 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | trans | -61.4 | 153.8 | 173.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | I226 V237 V239 A251 G258 I259 | I226-V256 HydrophobicContact CG2-CG1 3.89Å; V237-V256 WeakPolarHBondContact O-CB 3.17Å; V239-V256 HydrophobicContact CG1-CG1 3.82Å; V239-V256 HydrophobicContact CG2-CG1 4.39Å; V239-V256 HydrophobicContact CG2-CG2 4.43Å; A251-V256 HydrophobicContact CB-CG1 4.29Å; A251-V256 HydrophobicContact CB-CG2 3.8Å; A251-V256 WeakPolarHBondContact O-CG1 3.45Å; A251-V256 WeakPolarHBondContact O-CG2 3.42Å; A251-V256 PolarHBondContact O-N 2.76Å; V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 WeakPolarHBondContact CG2-O 3.45Å; V256-I259 HydrophobicContact CG2-CG1 4.22Å | ||
| 257 | S | 98.5 | Very high | 98.6 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 36% | 0.364 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -83 | -14.5 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | P236 V237 | P236-S257 WeakPolarHBondContact CA-OG 3.42Å; V237-S257 PolarHBondContact O-N 2.92Å |
| 258 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 173.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I238 V239 V256 E291 | I238-G258 WeakPolarHBondContact CA-O 3.36Å; V239-G258 PolarHBondContact N-O 3.1Å; V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 WeakPolarHBondContact CG2-O 3.45Å; G258-E291 CarbonylContact C-O 3.54Å; G258-E291 WeakPolarHBondContact CA-O 3.39Å |
| 259 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.4 | 175.6 | -67.1 | 157.1 | 0 | 0 | 0 | 108.4 | V239 V242 A248 A251 V256 V261 V282 V286 E291 V292 F293 | V239-I259 HydrophobicContact CG2-CB 4.4Å; V239-I259 HydrophobicContact CG2-CG1 3.75Å; V239-I259 WeakPolarHBondContact O-CA 3.49Å; V242-I259 HydrophobicContact CB-CG2 3.71Å; V242-I259 HydrophobicContact CG1-CG2 4.14Å; V242-I259 HydrophobicContact CG2-CG2 3.94Å; A248-I259 HydrophobicContact CB-CD1 3.93Å; A251-I259 HydrophobicContact CB-CD1 3.95Å; A251-I259 HydrophobicContact CB-CG1 3.96Å; V256-I259 HydrophobicContact CG2-CG1 4.22Å; I259-V261 HydrophobicContact CG2-CG2 4.45Å; I259-V282 HydrophobicContact CG2-CG1 4.06Å; I259-V286 HydrophobicContact CD1-CG2 3.43Å; I259-V286 VanDerWaalsContact CD1-CG2 3.43Å; I259-E291 PolarHBondContact N-O 2.99Å; I259-V292 CarbonylContact O-C 3.51Å; I259-V292 WeakPolarHBondContact O-CA 3.42Å; I259-F293 WeakPolarHBondContact O-CD2 3.44Å; I259-F293 PolarHBondContact O-N 2.94Å |
| 260 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 105.7 | 167.9 | 171.4 | 57.4 | 0 | 0 | 0 | 109 | M106 F161 I238 V239 K240 G241 S262 F293 M294 D295 F316 | M106-L260 HydrophobicContact CE-CD2 3.96Å; F161-L260 HydrophobicContact CD1-CB 4.33Å; F161-L260 HydrophobicContact CD1-CD2 4.02Å; F161-L260 HydrophobicContact CE1-CB 4.4Å; F161-L260 HydrophobicContact CE1-CD2 4.27Å; I238-L260 HydrophobicContact CG2-CB 4.25Å; V239-L260 PolarHBondContact O-N 3.48Å; K240-L260 HydrophobicContact CB-CB 4.12Å; K240-L260 HydrophobicContact CB-CD2 4.1Å; K240-L260 HydrophobicContact CB-CG 4.35Å; K240-L260 HydrophobicContact CD-CD2 3.73Å; K240-L260 HydrophobicContact CG-CB 4.3Å; K240-L260 HydrophobicContact CG-CD2 3.63Å; K240-L260 HydrophobicContact CG-CG 3.98Å; G241-L260 PolarHBondContact N-O 2.97Å; G241-L260 VanDerWaalsContact N-O 3.13Å; L260-S262 PolarHBondContact O-N 3.24Å; L260-F293 HydrophobicContact CB-CB 4.28Å; L260-F293 HydrophobicContact CB-CD2 4.5Å; L260-F293 HydrophobicContact CD1-CB 3.67Å; L260-M294 VanDerWaalsContact CD1-C 3.47Å; L260-D295 HydrophobicContact CD1-CB 4.2Å; L260-F316 HydrophobicContact CD1-CD2 3.91Å; L260-F316 HydrophobicContact CD1-CE2 4.46Å; L260-F316 HydrophobicContact CD2-CD2 4.41Å |
| 261 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 111.3 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | V242 L243 I259 T275 V278 L279 V282 V292 F293 M294 D295 | V242-V261 WeakPolarHBondContact O-CA 3.3Å; L243-V261 HydrophobicContact CD2-CG1 4.47Å; I259-V261 HydrophobicContact CG2-CG2 4.45Å; V261-T275 HydrophobicContact CG1-CG2 4.27Å; V261-V278 HydrophobicContact CG1-CG2 3.83Å; V261-L279 HydrophobicContact CB-CD1 4.41Å; V261-L279 HydrophobicContact CG2-CD1 4.01Å; V261-V282 HydrophobicContact CG2-CB 3.84Å; V261-V282 HydrophobicContact CG2-CG1 3.66Å; V261-V282 HydrophobicContact CG2-CG2 3.97Å; V261-V292 HydrophobicContact CG2-CG1 3.82Å; V261-F293 WeakPolarHBondContact CB-O 3.44Å; V261-F293 PolarHBondContact N-O 2.68Å; V261-M294 WeakPolarHBondContact O-CA 3.49Å; V261-D295 PolarHBondContact O-N 2.73Å |
| 262 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -151.2 | 135.6 | -169.8 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | K240 G241 L243 L260 H264 D295 | K240-S262 PolarHBondContact NZ-OG 3Å; K240-S262 VanDerWaalsContact NZ-OG 3.08Å; G241-S262 CarbonylContact C-O 3.5Å; G241-S262 VanDerWaalsContact CA-O 3.31Å; G241-S262 WeakPolarHBondContact CA-O 3.3Å; L243-S262 WeakPolarHBondContact CD2-O 3.37Å; L260-S262 PolarHBondContact O-N 3.24Å; S262-H264 PolarHBondContact OG-N 3.34Å; S262-D295 WeakPolarHBondContact CA-OD1 3.42Å; S262-D295 WeakPolarHBondContact CB-OD1 3.32Å; S262-D295 PolarHBondContact OG-OD1 2.73Å; S262-D295 PolarHBondContact OG-OD2 3.39Å | ||
| 263 | N | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | trans | -106.2 | 29.4 | 163.7 | 57.1 | 23.6 | 0 | 0 | 0 | 110.6 | T36 N40 L243 G265 A266 V272 P273 T275 | T36-N263 HydrophobicContact CG2-CB 4.42Å; T36-N263 VanDerWaalsContact CG2-ND2 3.25Å; T36-N263 WeakPolarHBondContact CG2-ND2 3Å; N40-N263 PolarHBondContact ND2-ND2 3.22Å; N40-N263 PolarHBondContact ND2-OD1 3.35Å; N40-N263 PolarHBondContact OD1-ND2 3.23Å; L243-N263 HydrophobicContact CD1-CB 3.99Å; L243-N263 HydrophobicContact CD2-CB 4.03Å; N263-G265 PolarHBondContact O-N 3.34Å; N263-G265 PolarHBondContact OD1-N 3.03Å; N263-A266 WeakPolarHBondContact O-CA 3.4Å; N263-A266 PolarHBondContact O-N 3.31Å; N263-A266 PolarHBondContact OD1-N 3.19Å; N263-A266 VanDerWaalsContact OD1-N 3.11Å; N263-V272 HydrophobicContact CB-CG2 3.75Å; N263-P273 PolarHBondContact ND2-O 3.4Å; N263-T275 HydrophobicContact CB-CG2 4.17Å; N263-T275 VanDerWaalsContact N-CG2 3.34Å | ||
| 264 | H | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 31.6 | -177.7 | -142.1 | 110 | 0 | 0 | 0 | 113.9 | Y137 D165 T166 S262 A266 R267 Q268 | Y137-H264 PolarHBondContact OH-CE1 3.37Å; Y137-H264 VanDerWaalsContact OH-CE1 3.23Å; D165-H264 IonicContact OD1-CE1 3.17Å; D165-H264 IonicContact OD1-CG 2.73Å; D165-H264 IonicContact OD1-ND1 2.73Å; D165-H264 PolarHBondContact OD1-ND1 3.22Å; D165-H264 WeakPolarHBondContact OD2-CB 3.31Å; D165-H264 IonicContact OD2-CG 2.79Å; D165-H264 IonicContact OD2-ND1 3.66Å; D165-H264 PolarHBondContact OD2-ND1 3.31Å; T166-H264 PolarHBondContact OG1-CE1 2.78Å; T166-H264 PolarHBondContact OG1-ND1 2.61Å; S262-H264 PolarHBondContact OG-N 3.34Å; H264-A266 PolarHBondContact O-N 3.04Å; H264-R267 WeakPolarHBondContact O-CB 3.38Å; H264-R267 WeakPolarHBondContact O-CG 3.3Å; H264-R267 PolarHBondContact O-N 2.97Å; H264-Q268 HydrophobicContact CB-CB 4.22Å; H264-Q268 HydrophobicContact CB-CG 3.51Å |
| 265 | G | 98.7 | Very high | 98.7 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 13% | 0.134 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 32.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N263 R319 | N263-G265 PolarHBondContact O-N 3.34Å; N263-G265 PolarHBondContact OD1-N 3.03Å; G265-R319 PolarHBondContact O-NH1 2.94Å; G265-R319 PolarHBondContact O-NH2 2.97Å |
| 266 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 37.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | G30 A31 T36 L37 N263 H264 | G30-A266 CarbonylContact C-O 3.57Å; G30-A266 WeakPolarHBondContact CA-O 3.36Å; A31-A266 PolarHBondContact N-O 3.38Å; T36-A266 VanDerWaalsContact C-CB 3.48Å; T36-A266 HydrophobicContact CG2-CB 3.69Å; L37-A266 HydrophobicContact CB-CB 3.75Å; L37-A266 HydrophobicContact CD1-CB 4.23Å; N263-A266 WeakPolarHBondContact O-CA 3.4Å; N263-A266 PolarHBondContact O-N 3.31Å; N263-A266 PolarHBondContact OD1-N 3.19Å; N263-A266 VanDerWaalsContact OD1-N 3.11Å; H264-A266 PolarHBondContact O-N 3.04Å |
| 267 | R | 98.8 | Very high | 98.7 | Very high | 22 Ų | 22 | 22.8 Ų | 22.8 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 3.2 | -173.9 | -66 | 174.4 | 63 | 83.9 | -17.2 | 114.7 | Y26 S29 R172 H264 | Y26-R267 VanDerWaalsContact O-CZ 3.29Å; Y26-R267 PolarHBondContact O-NH1 2.83Å; Y26-R267 PolarHBondContact O-NH2 3.32Å; S29-R267 WeakPolarHBondContact O-CG 3.24Å; S29-R267 PolarHBondContact O-NH1 2.87Å; R172-R267 PolarHBondContact NE-O 3.41Å; R172-R267 PolarHBondContact NH2-O 2.88Å; H264-R267 WeakPolarHBondContact O-CB 3.38Å; H264-R267 WeakPolarHBondContact O-CG 3.3Å; H264-R267 PolarHBondContact O-N 2.97Å |
| 268 | Q | 98.7 | Very high | 98.7 | Very high | 21 Ų | 21 | 20.8 Ų | 20.8 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -113.8 | -103.7 | -176.6 | -70.1 | -61.8 | 111.2 | 0 | 0 | 109.9 | A31 D165 Y168 G170 H264 | A31-Q268 WeakPolarHBondContact CB-O 3.46Å; D165-Q268 WeakPolarHBondContact O-CG 3Å; D165-Q268 PolarHBondContact O-NE2 3.42Å; Y168-Q268 PolarHBondContact O-NE2 2.88Å; G170-Q268 WeakPolarHBondContact CA-O 3.44Å; H264-Q268 HydrophobicContact CB-CB 4.22Å; H264-Q268 HydrophobicContact CB-CG 3.51Å |
| 269 | L | 98.8 | Very high | 98.8 | Very high | 125 Ų | 125 | 20.8 Ų | 20.8 | 65% | 0.654 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -85 | 115.9 | 175.8 | -178.2 | 60.7 | 0 | 0 | 0 | 110.3 | V272 | L269-V272 HydrophobicContact CB-CG1 3.89Å; L269-V272 HydrophobicContact CD2-CG1 3.67Å; L269-V272 HydrophobicContact CG-CG1 3.74Å; L269-V272 WeakPolarHBondContact O-CG2 3.34Å |
| 270 | D | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 148.1 | 170.7 | -163.7 | 37.4 | 0 | 0 | 0 | 110.9 | A31 D32 Q34 N35 T36 | A31-D270 HydrophobicContact CB-CB 4.2Å; D32-D270 HydrophobicContact CB-CB 4.12Å; Q34-D270 PolarHBondContact N-OD2 3.19Å; N35-D270 PolarHBondContact N-OD1 3.44Å; N35-D270 PolarHBondContact N-OD2 2.95Å; N35-D270 PolarHBondContact ND2-OD2 3.2Å; T36-D270 WeakPolarHBondContact CB-OD1 3.37Å; T36-D270 PolarHBondContact N-OD1 3.01Å; T36-D270 PolarHBondContact OG1-OD1 2.75Å |
| 271 | G | 98.2 | Very high | 98.7 | Very high | 64 Ų | 64 | 27.2 Ų | 27.2 | 66% | 0.66 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.1 | -1.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T36 | T36-G271 PolarHBondContact OG1-N 3.47Š|
| 272 | V | 98.8 | Very high | 98.7 | Very high | 26 Ų | 26 | 27.2 Ų | 27.2 | 16% | 0.158 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -73 | 153.2 | 166.8 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | T36 L243 N263 L269 | T36-V272 HydrophobicContact CG2-CG2 3.61Å; T36-V272 VanDerWaalsContact CG2-O 3.27Å; T36-V272 WeakPolarHBondContact CG2-O 3.42Å; T36-V272 PolarHBondContact OG1-N 3.33Å; T36-V272 PolarHBondContact OG1-O 2.77Å; L243-V272 HydrophobicContact CD1-CB 3.97Å; L243-V272 HydrophobicContact CD1-CG1 4.27Å; L243-V272 HydrophobicContact CD1-CG2 3.97Å; N263-V272 HydrophobicContact CB-CG2 3.75Å; L269-V272 HydrophobicContact CB-CG1 3.89Å; L269-V272 HydrophobicContact CD2-CG1 3.67Å; L269-V272 HydrophobicContact CG-CG1 3.74Å; L269-V272 WeakPolarHBondContact O-CG2 3.34Å |
| 273 | P | 98.6 | Very high | 98.7 | Very high | 60 Ų | 60 | 29 Ų | 29 | 39% | 0.39 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 157.3 | 178 | 23.4 | -33.5 | 0 | 0 | 0 | 113.1 | N263 V278 | N263-P273 PolarHBondContact ND2-O 3.4Å; P273-V278 HydrophobicContact CB-CG1 3.87Å; P273-V278 HydrophobicContact CG-CG1 3.42Å; P273-V278 VanDerWaalsContact CG-CG1 3.42Å |
| 274 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 140.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | D39 N40 A43 L276 D277 V278 | D39-A274 WeakPolarHBondContact OD2-CB 3.47Å; D39-A274 PolarHBondContact OD2-N 2.77Å; N40-A274 WeakPolarHBondContact OD1-CA 3.24Å; A43-A274 HydrophobicContact CB-CB 3.39Å; A274-L276 PolarHBondContact O-N 2.98Å; A274-D277 PolarHBondContact O-N 3.32Å; A274-V278 PolarHBondContact O-N 3.39Å |
| 275 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -31.8 | -177.3 | 41.4 | 0 | 0 | 0 | 0 | 113.2 | N40 L243 V261 N263 D277 V278 L279 M294 D295 | N40-T275 PolarHBondContact OD1-N 3.31Å; L243-T275 HydrophobicContact CD2-CG2 4.04Å; V261-T275 HydrophobicContact CG1-CG2 4.27Å; N263-T275 HydrophobicContact CB-CG2 4.17Å; N263-T275 VanDerWaalsContact N-CG2 3.34Å; T275-D277 VanDerWaalsContact C-N 3.3Å; T275-D277 PolarHBondContact O-N 2.81Å; T275-V278 WeakPolarHBondContact O-CG2 3.39Å; T275-V278 PolarHBondContact O-N 3.27Å; T275-L279 WeakPolarHBondContact O-CB 3.08Å; T275-L279 PolarHBondContact O-N 3.04Å; T275-M294 VanDerWaalsContact OG1-CE 3.24Å; T275-M294 WeakPolarHBondContact OG1-CE 3.5Å; T275-D295 WeakPolarHBondContact CB-O 3.49Å; T275-D295 WeakPolarHBondContact CG2-O 3.26Å; T275-D295 PolarHBondContact OG1-O 3.03Å |
| 276 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -37.5 | 177.5 | -167.8 | 69.4 | 0 | 0 | 0 | 111.8 | A43 F44 W47 A274 V278 L279 M294 A307 L310 | A43-L276 HydrophobicContact CB-CB 4.17Å; A43-L276 HydrophobicContact CB-CD2 4.42Å; F44-L276 HydrophobicContact CB-CD2 4.28Å; F44-L276 HydrophobicContact CD1-CD1 4.17Å; F44-L276 HydrophobicContact CD1-CD2 3.44Å; F44-L276 VanDerWaalsContact CD1-CD2 3.44Å; F44-L276 HydrophobicContact CD1-CG 4.37Å; F44-L276 HydrophobicContact CD2-CD2 4.28Å; F44-L276 HydrophobicContact CE1-CD1 3.6Å; F44-L276 HydrophobicContact CE1-CD2 3.71Å; F44-L276 HydrophobicContact CE1-CG 4.15Å; F44-L276 HydrophobicContact CG-CD2 3.76Å; F44-L276 HydrophobicContact CZ-CB 4.36Å; F44-L276 HydrophobicContact CZ-CD1 4.07Å; F44-L276 HydrophobicContact CZ-CD2 4.26Å; F44-L276 HydrophobicContact CZ-CG 4.48Å; W47-L276 HydrophobicContact CG-CD2 4.13Å; A274-L276 PolarHBondContact O-N 2.98Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 2.95Å; L276-L279 PolarHBondContact O-N 3.05Å; L276-M294 HydrophobicContact CB-CE 3.69Å; L276-M294 HydrophobicContact CB-SD 4.46Å; L276-M294 HydrophobicContact CD1-CE 3.92Å; L276-M294 HydrophobicContact CD1-SD 3.8Å; L276-M294 HydrophobicContact CG-CE 4.43Å; L276-M294 VanDerWaalsContact N-CE 3.32Å; L276-A307 HydrophobicContact CD1-CB 4.29Å; L276-L310 HydrophobicContact CD1-CD1 3.61Å; L276-L310 HydrophobicContact CG-CD1 3.88Å |
| 277 | D | 98.4 | Very high | 98.6 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.2 | -21.6 | -174.6 | -81.3 | -8.8 | 0 | 0 | 0 | 112.7 | R46 W47 A274 T275 R366 | R46-D277 IonicContact CZ-OD2 3.47Å; R46-D277 VanDerWaalsContact CZ-OD2 3.31Å; R46-D277 IonicContact NE-OD2 3.9Å; R46-D277 PolarHBondContact NE-OD2 2.85Å; R46-D277 VanDerWaalsContact NE-OD2 3.12Å; R46-D277 IonicContact NH2-OD2 3.88Å; R46-D277 PolarHBondContact NH2-OD2 3.46Å; W47-D277 PolarHBondContact NE1-OD1 2.91Å; A274-D277 PolarHBondContact O-N 3.32Å; T275-D277 VanDerWaalsContact C-N 3.3Å; T275-D277 PolarHBondContact O-N 2.81Å; D277-R366 IonicContact OD1-CZ 3.94Å; D277-R366 IonicContact OD1-NH2 3.76Å; D277-R366 IonicContact OD2-NH2 3.22Å; D277-R366 PolarHBondContact OD2-NH2 2.84Å |
| 278 | V | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -100.3 | -9.2 | 174 | -62.8 | 0 | 0 | 0 | 0 | 113.7 | L243 V261 P273 A274 T275 L276 E280 E281 V282 | L243-V278 HydrophobicContact CD2-CG2 3.99Å; L243-V278 WeakPolarHBondContact O-CB 3.49Å; L243-V278 WeakPolarHBondContact O-CG1 3.36Å; V261-V278 HydrophobicContact CG1-CG2 3.83Å; P273-V278 HydrophobicContact CB-CG1 3.87Å; P273-V278 HydrophobicContact CG-CG1 3.42Å; P273-V278 VanDerWaalsContact CG-CG1 3.42Å; A274-V278 PolarHBondContact O-N 3.39Å; T275-V278 WeakPolarHBondContact O-CG2 3.39Å; T275-V278 PolarHBondContact O-N 3.27Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 2.95Å; V278-E280 PolarHBondContact O-N 2.9Å; V278-E281 WeakPolarHBondContact O-CB 3.28Å; V278-E281 PolarHBondContact O-N 3.34Å; V278-V282 PolarHBondContact O-N 2.84Å |
| 279 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -47.9 | -176.6 | 175.3 | 60.6 | 0 | 0 | 0 | 112.3 | V261 T275 L276 E281 V282 V283 V292 M294 A307 L310 A312 | V261-L279 HydrophobicContact CB-CD1 4.41Å; V261-L279 HydrophobicContact CG2-CD1 4.01Å; T275-L279 WeakPolarHBondContact O-CB 3.08Å; T275-L279 PolarHBondContact O-N 3.04Å; L276-L279 PolarHBondContact O-N 3.05Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 2.69Å; L279-V282 PolarHBondContact O-N 2.99Å; L279-V283 HydrophobicContact CD1-CG2 3.99Å; L279-V283 HydrophobicContact CG-CG2 4.34Å; L279-V283 VanDerWaalsContact O-CG2 3.32Å; L279-V283 WeakPolarHBondContact O-CG2 3.48Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-V292 HydrophobicContact CD1-CG1 3.87Å; L279-M294 HydrophobicContact CD1-CB 4.27Å; L279-M294 HydrophobicContact CD2-CB 4.36Å; L279-M294 HydrophobicContact CD2-CG 4.47Å; L279-M294 HydrophobicContact CD2-SD 3.76Å; L279-A307 HydrophobicContact CD2-CB 4.16Å; L279-A307 WeakPolarHBondContact CD2-O 3.39Å; L279-L310 HydrophobicContact CD2-CB 3.75Å; L279-L310 HydrophobicContact CD2-CD1 4.49Å; L279-L310 HydrophobicContact CG-CB 4.21Å; L279-A312 HydrophobicContact CD1-CB 4.21Å; L279-A312 HydrophobicContact CD2-CB 3.93Å |
| 280 | E | 98.2 | Very high | 98.5 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 17% | 0.173 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -32.7 | -177.5 | -177.3 | 171.5 | -160.3 | 0 | 0 | 112.2 | V278 K284 L310 R361 | V278-E280 PolarHBondContact O-N 2.9Å; E280-K284 HydrophobicContact CG-CD 4.14Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 VanDerWaalsContact O-CG 3.28Å; E280-K284 WeakPolarHBondContact O-CG 3.48Å; E280-K284 PolarHBondContact O-N 3.21Å; E280-K284 VanDerWaalsContact OE1-CE 3.28Å; E280-K284 WeakPolarHBondContact OE1-CE 3.48Å; E280-K284 IonicContact OE1-NZ 2.88Å; E280-K284 PolarHBondContact OE1-NZ 3.41Å; E280-K284 IonicContact OE2-NZ 3.95Å; E280-L310 HydrophobicContact CB-CD2 4.34Å; E280-R361 IonicContact OE1-CZ 3.67Å; E280-R361 IonicContact OE1-NE 2.85Å; E280-R361 PolarHBondContact OE1-NE 3.1Å; E280-R361 IonicContact OE1-NH2 3.61Å; E280-R361 IonicContact OE2-CZ 3.55Å; E280-R361 IonicContact OE2-NE 3.23Å; E280-R361 PolarHBondContact OE2-NE 3.21Å; E280-R361 IonicContact OE2-NH2 2.95Å; E280-R361 PolarHBondContact OE2-NH2 3.46Å |
| 281 | E | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 44.5 Ų | 44.5 | 45% | 0.453 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.5 | -176.7 | -172 | 140.6 | 0 | 0 | 111 | G245 V278 L279 V283 K284 A285 | G245-E281 PolarHBondContact N-OE1 2.75Å; V278-E281 WeakPolarHBondContact O-CB 3.28Å; V278-E281 PolarHBondContact O-N 3.34Å; L279-E281 VanDerWaalsContact C-N 3.28Å; L279-E281 PolarHBondContact O-N 2.69Å; E281-V283 PolarHBondContact O-N 2.94Å; E281-K284 PolarHBondContact O-N 3.14Å; E281-A285 WeakPolarHBondContact O-CB 3.27Å; E281-A285 PolarHBondContact O-N 3.33Å |
| 282 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | V242 A248 I259 V261 V278 L279 K284 A285 V286 V292 | V242-V282 HydrophobicContact CG1-CG2 4.4Å; A248-V282 HydrophobicContact CB-CB 4.45Å; A248-V282 HydrophobicContact CB-CG1 3.83Å; A248-V282 HydrophobicContact CB-CG2 4.48Å; I259-V282 HydrophobicContact CG2-CG1 4.06Å; V261-V282 HydrophobicContact CG2-CB 3.84Å; V261-V282 HydrophobicContact CG2-CG1 3.66Å; V261-V282 HydrophobicContact CG2-CG2 3.97Å; V278-V282 PolarHBondContact O-N 2.84Å; L279-V282 PolarHBondContact O-N 2.99Å; V282-K284 VanDerWaalsContact C-N 3.32Å; V282-K284 PolarHBondContact O-N 3.22Å; V282-A285 PolarHBondContact O-N 2.96Å; V282-V286 HydrophobicContact CG1-CG2 4.45Å; V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.31Å; V282-V292 HydrophobicContact CG1-CG1 3.99Å; V282-V292 HydrophobicContact CG1-CG2 4.42Å |
| 283 | V | 98.8 | Very high | 98.6 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | L279 E281 V286 Q287 V292 | L279-V283 HydrophobicContact CD1-CG2 3.99Å; L279-V283 HydrophobicContact CG-CG2 4.34Å; L279-V283 VanDerWaalsContact O-CG2 3.32Å; L279-V283 WeakPolarHBondContact O-CG2 3.48Å; L279-V283 PolarHBondContact O-N 3.39Å; E281-V283 PolarHBondContact O-N 2.94Å; V283-V286 PolarHBondContact O-N 3.45Å; V283-Q287 PolarHBondContact O-N 3.43Å; V283-V292 HydrophobicContact CG2-CB 4.05Å; V283-V292 HydrophobicContact CG2-CG1 3.9Å; V283-V292 HydrophobicContact CG2-CG2 4.33Å |
| 284 | K | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 37.7 Ų | 37.7 | 57% | 0.574 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -64.7 | -41.1 | 177.8 | -75.1 | 171.9 | -176.7 | 166.7 | 0 | 112 | E280 E281 V282 V286 Q287 | E280-K284 HydrophobicContact CG-CD 4.14Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 VanDerWaalsContact O-CG 3.28Å; E280-K284 WeakPolarHBondContact O-CG 3.48Å; E280-K284 PolarHBondContact O-N 3.21Å; E280-K284 VanDerWaalsContact OE1-CE 3.28Å; E280-K284 WeakPolarHBondContact OE1-CE 3.48Å; E280-K284 IonicContact OE1-NZ 2.88Å; E280-K284 PolarHBondContact OE1-NZ 3.41Å; E280-K284 IonicContact OE2-NZ 3.95Å; E281-K284 PolarHBondContact O-N 3.14Å; V282-K284 VanDerWaalsContact C-N 3.32Å; V282-K284 PolarHBondContact O-N 3.22Å; K284-V286 VanDerWaalsContact C-N 3.33Å; K284-V286 PolarHBondContact O-N 3.44Å; K284-Q287 VanDerWaalsContact O-CG 3.26Å; K284-Q287 WeakPolarHBondContact O-CG 3.18Å; K284-Q287 PolarHBondContact O-N 3.24Å |
| 285 | A | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 17% | 0.174 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -34 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A248 V249 E281 V282 | A248-A285 HydrophobicContact CB-CB 4.07Å; V249-A285 HydrophobicContact CG2-CB 4.17Å; E281-A285 WeakPolarHBondContact O-CB 3.27Å; E281-A285 PolarHBondContact O-N 3.33Å; V282-A285 PolarHBondContact O-N 2.96Å |
| 286 | V | 98.3 | Very high | 98.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73.3 | -28.9 | 179.6 | 170 | 0 | 0 | 0 | 0 | 112.7 | A248 V252 I259 V282 V283 K284 G288 R289 C290 V292 | A248-V286 HydrophobicContact CB-CG2 4.17Å; V252-V286 HydrophobicContact CG2-CB 4.39Å; V252-V286 HydrophobicContact CG2-CG1 4.1Å; V252-V286 HydrophobicContact CG2-CG2 4.09Å; I259-V286 HydrophobicContact CD1-CG2 3.43Å; I259-V286 VanDerWaalsContact CD1-CG2 3.43Å; V282-V286 HydrophobicContact CG1-CG2 4.45Å; V282-V286 WeakPolarHBondContact O-CG2 3.43Å; V282-V286 PolarHBondContact O-N 3.31Å; V283-V286 PolarHBondContact O-N 3.45Å; K284-V286 VanDerWaalsContact C-N 3.33Å; K284-V286 PolarHBondContact O-N 3.44Å; V286-G288 PolarHBondContact O-N 3.34Å; V286-R289 HydrophobicContact CG1-CB 4.45Å; V286-R289 WeakPolarHBondContact O-CB 3.23Å; V286-R289 WeakPolarHBondContact O-CG 3.44Å; V286-R289 PolarHBondContact O-N 2.97Å; V286-R289 VanDerWaalsContact O-N 3.15Å; V286-R289 PolarHBondContact O-NE 3.19Å; V286-C290 HydrophobicContact CG1-CB 4.43Å; V286-C290 WeakPolarHBondContact CG1-O 3.37Å; V286-C290 WeakPolarHBondContact CG1-SG 3.39Å; V286-V292 HydrophobicContact CB-CG2 4.2Å; V286-V292 HydrophobicContact CG1-CG2 4.29Å; V286-V292 HydrophobicContact CG2-CG2 3.91Å |
| 287 | Q | 97.8 | Very high | 98.5 | Very high | 157 Ų | 157 | 39 Ų | 39 | 73% | 0.734 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.2 | -179.8 | -58.3 | -178.6 | -25.1 | 0 | 0 | 113.2 | V283 K284 R289 | V283-Q287 PolarHBondContact O-N 3.43Å; K284-Q287 VanDerWaalsContact O-CG 3.26Å; K284-Q287 WeakPolarHBondContact O-CG 3.18Å; K284-Q287 PolarHBondContact O-N 3.24Å; Q287-R289 PolarHBondContact O-N 2.94Å |
| 288 | G | 97.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 77% | 0.773 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | V286 C290 | V286-G288 PolarHBondContact O-N 3.34Å; G288-C290 VanDerWaalsContact C-N 3.29Å; G288-C290 PolarHBondContact O-N 3.11Å |
| 289 | R | 98.2 | Very high | 98.5 | Very high | 118 Ų | 118 | 39.1 Ų | 39.1 | 45% | 0.445 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -71.2 | -19.6 | -180 | -66.6 | -175.9 | -73.4 | 157.5 | 2.2 | 114 | V252 V286 Q287 | V252-R289 HydrophobicContact CG1-CB 3.59Å; V252-R289 HydrophobicContact CG1-CG 4.24Å; V252-R289 VanDerWaalsContact CG1-NH1 3.25Å; V252-R289 HydrophobicContact CG2-CB 4.46Å; V286-R289 HydrophobicContact CG1-CB 4.45Å; V286-R289 WeakPolarHBondContact O-CB 3.23Å; V286-R289 WeakPolarHBondContact O-CG 3.44Å; V286-R289 PolarHBondContact O-N 2.97Å; V286-R289 VanDerWaalsContact O-N 3.15Å; V286-R289 PolarHBondContact O-NE 3.19Å; Q287-R289 PolarHBondContact O-N 2.94Å |
| 290 | C | 98.4 | Very high | 98.5 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -150.4 | 167.9 | 171.4 | 70.9 | 0 | 0 | 0 | 0 | 111 | V286 G288 | V286-C290 HydrophobicContact CG1-CB 4.43Å; V286-C290 WeakPolarHBondContact CG1-O 3.37Å; V286-C290 WeakPolarHBondContact CG1-SG 3.39Å; G288-C290 VanDerWaalsContact C-N 3.29Å; G288-C290 PolarHBondContact O-N 3.11Å |
| 291 | E | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 143.2 | 173.3 | -64.1 | -173 | 155.9 | 0 | 0 | 110.6 | L67 G258 I259 F293 K313 | L67-E291 PolarHBondContact N-OE2 2.96Å; G258-E291 CarbonylContact C-O 3.54Å; G258-E291 WeakPolarHBondContact CA-O 3.39Å; I259-E291 PolarHBondContact N-O 2.99Å; E291-F293 HydrophobicContact CB-CE1 3.98Å; E291-F293 HydrophobicContact CB-CE2 4.2Å; E291-F293 HydrophobicContact CB-CZ 3.6Å; E291-F293 VanDerWaalsContact OE2-CZ 3.28Å; E291-F293 WeakPolarHBondContact OE2-CZ 3.47Å; E291-K313 HydrophobicContact CB-CB 4.29Å; E291-K313 HydrophobicContact CB-CG 4.38Å; E291-K313 HydrophobicContact CG-CG 4.22Å; E291-K313 WeakPolarHBondContact OE1-CE 3.33Å |
| 292 | V | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.4 | 173.4 | -179 | 0 | 0 | 0 | 0 | 108.7 | I259 V261 L279 V282 V283 V286 A312 K313 | I259-V292 CarbonylContact O-C 3.51Å; I259-V292 WeakPolarHBondContact O-CA 3.42Å; V261-V292 HydrophobicContact CG2-CG1 3.82Å; L279-V292 HydrophobicContact CD1-CG1 3.87Å; V282-V292 HydrophobicContact CG1-CG1 3.99Å; V282-V292 HydrophobicContact CG1-CG2 4.42Å; V283-V292 HydrophobicContact CG2-CB 4.05Å; V283-V292 HydrophobicContact CG2-CG1 3.9Å; V283-V292 HydrophobicContact CG2-CG2 4.33Å; V286-V292 HydrophobicContact CB-CG2 4.2Å; V286-V292 HydrophobicContact CG1-CG2 4.29Å; V286-V292 HydrophobicContact CG2-CG2 3.91Å; V292-A312 CarbonylContact O-C 3.5Å; V292-A312 WeakPolarHBondContact O-CA 3.49Å; V292-K313 WeakPolarHBondContact O-CB 3.4Å; V292-K313 PolarHBondContact O-N 3.28Å |
| 293 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 168.6 | 177.6 | -46.8 | -69.5 | 0 | 0 | 0 | 110 | V66 L67 F161 I238 I259 L260 V261 E291 K313 A314 F316 | V66-F293 HydrophobicContact CG1-CE1 3.73Å; V66-F293 HydrophobicContact CG1-CZ 4.02Å; L67-F293 HydrophobicContact CD1-CZ 4.47Å; L67-F293 HydrophobicContact CD2-CE2 4.26Å; L67-F293 HydrophobicContact CD2-CZ 3.91Å; L67-F293 HydrophobicContact CG-CZ 3.96Å; F161-F293 HydrophobicContact CE1-CD2 4.19Å; F161-F293 HydrophobicContact CE1-CE2 4.4Å; F161-F293 HydrophobicContact CZ-CE2 4.45Å; I238-F293 HydrophobicContact CG1-CE2 4.19Å; I238-F293 HydrophobicContact CG2-CD2 4.25Å; I238-F293 HydrophobicContact CG2-CE2 4.27Å; I259-F293 WeakPolarHBondContact O-CD2 3.44Å; I259-F293 PolarHBondContact O-N 2.94Å; L260-F293 HydrophobicContact CB-CB 4.28Å; L260-F293 HydrophobicContact CB-CD2 4.5Å; L260-F293 HydrophobicContact CD1-CB 3.67Å; V261-F293 WeakPolarHBondContact CB-O 3.44Å; V261-F293 PolarHBondContact N-O 2.68Å; E291-F293 HydrophobicContact CB-CE1 3.98Å; E291-F293 HydrophobicContact CB-CE2 4.2Å; E291-F293 HydrophobicContact CB-CZ 3.6Å; E291-F293 VanDerWaalsContact OE2-CZ 3.28Å; E291-F293 WeakPolarHBondContact OE2-CZ 3.47Å; F293-K313 HydrophobicContact CD1-CB 4.05Å; F293-K313 HydrophobicContact CE1-CB 3.9Å; F293-K313 HydrophobicContact CE1-CG 4.09Å; F293-A314 WeakPolarHBondContact CA-O 3.25Å; F293-A314 HydrophobicContact CD1-CB 4.21Å; F293-F316 HydrophobicContact CB-CD2 4.15Å; F293-F316 HydrophobicContact CB-CE2 3.79Å; F293-F316 HydrophobicContact CD1-CE2 4.15Å; F293-F316 HydrophobicContact CD2-CE2 4.5Å; F293-F316 AromaticContact CG-CE2 3.89Å; F293-F316 HydrophobicContact CG-CE2 3.89Å |
| 294 | M | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 140.3 | 177.3 | -176.1 | -164.6 | 158.8 | 0 | 0 | 111.7 | F44 L260 V261 T275 L276 L279 A307 A312 A314 V315 F316 | F44-M294 HydrophobicContact CE1-CE 4.36Å; F44-M294 HydrophobicContact CE2-CE 4.13Å; F44-M294 HydrophobicContact CZ-CE 3.51Å; L260-M294 VanDerWaalsContact CD1-C 3.47Å; V261-M294 WeakPolarHBondContact O-CA 3.49Å; T275-M294 VanDerWaalsContact OG1-CE 3.24Å; T275-M294 WeakPolarHBondContact OG1-CE 3.5Å; L276-M294 HydrophobicContact CB-CE 3.69Å; L276-M294 HydrophobicContact CB-SD 4.46Å; L276-M294 HydrophobicContact CD1-CE 3.92Å; L276-M294 HydrophobicContact CD1-SD 3.8Å; L276-M294 HydrophobicContact CG-CE 4.43Å; L276-M294 VanDerWaalsContact N-CE 3.32Å; L279-M294 HydrophobicContact CD1-CB 4.27Å; L279-M294 HydrophobicContact CD2-CB 4.36Å; L279-M294 HydrophobicContact CD2-CG 4.47Å; L279-M294 HydrophobicContact CD2-SD 3.76Å; M294-A307 HydrophobicContact SD-CB 3.71Å; M294-A312 HydrophobicContact CB-CB 4.34Å; M294-A314 PolarHBondContact N-O 2.98Å; M294-V315 HydrophobicContact CB-CG1 4.42Å; M294-V315 CarbonylContact O-C 3.52Å; M294-V315 WeakPolarHBondContact O-CA 3.36Å; M294-F316 PolarHBondContact O-N 3.22Å |
| 295 | D | 98.9 | Very high | 98.6 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 179.3 | 160.8 | 75.3 | 29.3 | 0 | 0 | 0 | 111.3 | K240 L260 V261 S262 T275 F316 | K240-D295 WeakPolarHBondContact CE-OD2 3.48Å; K240-D295 IonicContact NZ-OD2 3.82Å; L260-D295 HydrophobicContact CD1-CB 4.2Å; V261-D295 PolarHBondContact O-N 2.73Å; S262-D295 WeakPolarHBondContact CA-OD1 3.42Å; S262-D295 WeakPolarHBondContact CB-OD1 3.32Å; S262-D295 PolarHBondContact OG-OD1 2.73Å; S262-D295 PolarHBondContact OG-OD2 3.39Å; T275-D295 WeakPolarHBondContact CB-O 3.49Å; T275-D295 WeakPolarHBondContact CG2-O 3.26Å; T275-D295 PolarHBondContact OG1-O 3.03Å; D295-F316 HydrophobicContact CB-CB 4Å; D295-F316 WeakPolarHBondContact CB-O 3.36Å |
| 296 | G | 98.3 | Very high | 98.6 | Very high | 10 Ų | 10 | 34.5 Ų | 34.5 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 92.3 | 125.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | V298 | G296-V298 PolarHBondContact O-N 2.87Š|
| 297 | G | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 74.4 | -17.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 118 | N40 R299 | N40-G297 WeakPolarHBondContact O-CA 3.45Å; G297-R299 WeakPolarHBondContact O-CG 3.28Å; G297-R299 PolarHBondContact O-N 3.48Å |
| 298 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | trans | -60.7 | 119.1 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | F44 G296 D303 V304 V315 I317 | F44-V298 HydrophobicContact CZ-CG2 3.84Å; G296-V298 PolarHBondContact O-N 2.87Å; V298-D303 HydrophobicContact CG1-CB 4.16Å; V298-V304 HydrophobicContact CG1-CG2 3.98Å; V298-V315 HydrophobicContact CG1-CG2 4.11Å; V298-V315 HydrophobicContact CG2-CB 4.2Å; V298-V315 HydrophobicContact CG2-CG1 4.44Å; V298-V315 HydrophobicContact CG2-CG2 4.37Å; V298-I317 HydrophobicContact CB-CG2 3.99Å; V298-I317 HydrophobicContact CG1-CG2 3.77Å | ||
| 299 | R | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 16% | 0.162 | 11% | 0.11 | C | C | . | . | trans | -137.5 | -10.3 | 179.7 | -64.5 | -62.2 | 180 | -73 | -11.6 | 114 | V8 G297 D303 L340 | V8-R299 VanDerWaalsContact CG2-O 3.26Å; V8-R299 WeakPolarHBondContact CG2-O 3.4Å; G297-R299 WeakPolarHBondContact O-CG 3.28Å; G297-R299 PolarHBondContact O-N 3.48Å; R299-D303 PolarHBondContact N-OD2 3.4Å; R299-L340 WeakPolarHBondContact O-CD2 3.47Å | ||
| 300 | R | 98.8 | Very high | 98.8 | Very high | 150 Ų | 150 | 18.8 Ų | 18.8 | 57% | 0.566 | 9% | 0.09 | S | C | * | . | S | Bend | trans | -136.2 | 158.1 | -176.4 | -58 | 178.8 | -176.3 | -167.2 | -1.2 | 112.1 | T302 D303 V304 E343 | R300-T302 PolarHBondContact O-N 3.2Å; R300-D303 PolarHBondContact N-OD2 3.49Å; R300-D303 VanDerWaalsContact O-CB 3.28Å; R300-D303 WeakPolarHBondContact O-CB 3.33Å; R300-D303 PolarHBondContact O-N 3.21Å; R300-V304 PolarHBondContact O-N 2.77Å; R300-E343 WeakPolarHBondContact CA-OE2 3.22Å; R300-E343 WeakPolarHBondContact CB-OE2 3.39Å |
| 301 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59 | -32.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D303 V304 L305 E343 | G301-D303 VanDerWaalsContact C-N 3.31Å; G301-D303 PolarHBondContact O-N 3.43Å; G301-V304 WeakPolarHBondContact O-CB 3.31Å; G301-V304 PolarHBondContact O-N 2.77Å; G301-L305 PolarHBondContact O-N 2.93Å; G301-E343 PolarHBondContact N-OE2 3.13Å |
| 302 | T | 98.9 | Very high | 98.8 | Very high | 48 Ų | 48 | 17.8 Ų | 17.8 | 29% | 0.294 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -70 | -25.9 | 174.1 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | L49 R300 K306 A347 | L49-T302 HydrophobicContact CD1-CG2 3.82Å; R300-T302 PolarHBondContact O-N 3.2Å; T302-K306 WeakPolarHBondContact O-CD 3.3Å; T302-K306 VanDerWaalsContact O-CG 3.24Å; T302-K306 WeakPolarHBondContact O-CG 3.03Å; T302-K306 PolarHBondContact O-N 3Å; T302-A347 HydrophobicContact CG2-CB 3.83Å |
| 303 | D | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 20.5 Ų | 20.5 | 6% | 0.059 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.3 | -44.3 | 174 | -58.8 | -24 | 0 | 0 | 0 | 110 | F44 V298 R299 R300 G301 L305 K306 A307 | F44-D303 WeakPolarHBondContact CB-OD1 3.27Å; F44-D303 HydrophobicContact CD1-CB 3.5Å; F44-D303 VanDerWaalsContact CD1-CB 3.5Å; F44-D303 WeakPolarHBondContact CD1-OD1 3.43Å; F44-D303 HydrophobicContact CE1-CB 3.45Å; F44-D303 VanDerWaalsContact CE1-CB 3.45Å; F44-D303 WeakPolarHBondContact CE1-O 3.32Å; F44-D303 HydrophobicContact CG-CB 4.07Å; F44-D303 WeakPolarHBondContact CG-OD1 3.45Å; F44-D303 HydrophobicContact CZ-CB 3.97Å; V298-D303 HydrophobicContact CG1-CB 4.16Å; R299-D303 PolarHBondContact N-OD2 3.4Å; R300-D303 PolarHBondContact N-OD2 3.49Å; R300-D303 VanDerWaalsContact O-CB 3.28Å; R300-D303 WeakPolarHBondContact O-CB 3.33Å; R300-D303 PolarHBondContact O-N 3.21Å; G301-D303 VanDerWaalsContact C-N 3.31Å; G301-D303 PolarHBondContact O-N 3.43Å; D303-L305 PolarHBondContact O-N 3.08Å; D303-K306 PolarHBondContact O-N 3.31Å; D303-A307 PolarHBondContact O-N 3.1Å |
| 304 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56.5 | -51.9 | 173.3 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | P74 L75 V298 R300 G301 K306 A307 L308 V315 L344 | P74-V304 HydrophobicContact CG-CG1 4.29Å; L75-V304 HydrophobicContact CD1-CG2 3.62Å; V298-V304 HydrophobicContact CG1-CG2 3.98Å; R300-V304 PolarHBondContact O-N 2.77Å; G301-V304 WeakPolarHBondContact O-CB 3.31Å; G301-V304 PolarHBondContact O-N 2.77Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 2.98Å; V304-A307 PolarHBondContact O-N 3.25Å; V304-L308 HydrophobicContact CG1-CD1 4.09Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 2.78Å; V304-V315 HydrophobicContact CB-CG2 4.27Å; V304-V315 HydrophobicContact CG1-CG2 3.87Å; V304-V315 HydrophobicContact CG2-CG2 3.9Å; V304-L344 HydrophobicContact CB-CD1 4.12Å; V304-L344 HydrophobicContact CG1-CD1 4.11Å; V304-L344 HydrophobicContact CG1-CD2 3.92Å |
| 305 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.3 | -41.8 | -179.5 | -179.1 | 58.4 | 0 | 0 | 0 | 112.6 | L49 G301 D303 L308 A309 L344 A347 L348 V359 | L49-L305 HydrophobicContact CD1-CD2 4.09Å; L49-L305 HydrophobicContact CD2-CD2 3.78Å; L49-L305 HydrophobicContact CD2-CG 3.9Å; G301-L305 PolarHBondContact O-N 2.93Å; D303-L305 PolarHBondContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 3.04Å; L305-A309 WeakPolarHBondContact O-CB 3.37Å; L305-A309 PolarHBondContact O-N 3.25Å; L305-L344 HydrophobicContact CB-CD1 4.29Å; L305-A347 HydrophobicContact CD2-CB 3.92Å; L305-L348 HydrophobicContact CD1-CD2 3.79Å; L305-V359 HydrophobicContact CD1-CB 4.46Å; L305-V359 HydrophobicContact CD1-CG1 3.84Å; L305-V359 HydrophobicContact CD1-CG2 3.71Å |
| 306 | K | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 19.8 Ų | 19.8 | 8% | 0.083 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | 177.3 | -72.7 | 166.1 | -173.3 | -178.7 | 0 | 111.9 | F44 W47 L49 T302 D303 V304 L308 A309 L310 V364 | F44-K306 HydrophobicContact CD1-CB 4.41Å; F44-K306 HydrophobicContact CD1-CD 4.15Å; F44-K306 PolarHBondContact O-NZ 3.39Å; W47-K306 HydrophobicContact CB-CD 4.23Å; W47-K306 WeakPolarHBondContact O-CE 3.32Å; W47-K306 PolarHBondContact O-NZ 3.06Å; L49-K306 HydrophobicContact CD2-CG 3.98Å; L49-K306 HydrophobicContact CG-CG 4.15Å; T302-K306 WeakPolarHBondContact O-CD 3.3Å; T302-K306 VanDerWaalsContact O-CG 3.24Å; T302-K306 WeakPolarHBondContact O-CG 3.03Å; T302-K306 PolarHBondContact O-N 3Å; D303-K306 PolarHBondContact O-N 3.31Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 2.98Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.92Å; K306-A309 PolarHBondContact O-N 3.37Å; K306-L310 WeakPolarHBondContact O-CG 3.39Å; K306-L310 PolarHBondContact O-N 2.83Å; K306-V364 HydrophobicContact CB-CG1 4.33Å; K306-V364 HydrophobicContact CG-CG1 4.03Å |
| 307 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L276 L279 M294 D303 V304 L310 G311 A312 V315 | L276-A307 HydrophobicContact CD1-CB 4.29Å; L279-A307 HydrophobicContact CD2-CB 4.16Å; L279-A307 WeakPolarHBondContact CD2-O 3.39Å; M294-A307 HydrophobicContact SD-CB 3.71Å; D303-A307 PolarHBondContact O-N 3.1Å; V304-A307 PolarHBondContact O-N 3.25Å; A307-L310 PolarHBondContact O-N 2.91Å; A307-G311 PolarHBondContact O-N 2.58Å; A307-A312 HydrophobicContact CB-CB 4.29Å; A307-A312 WeakPolarHBondContact O-CB 3.4Å; A307-A312 PolarHBondContact O-N 3.08Å; A307-V315 HydrophobicContact CB-CG1 3.48Å; A307-V315 VanDerWaalsContact CB-CG1 3.48Å |
| 308 | L | 98.9 | Very high | 98.9 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 7% | 0.073 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 175.5 | -62.3 | 175.8 | 0 | 0 | 0 | 112.1 | P74 V304 L305 K306 L310 G311 A312 I356 V359 | P74-L308 HydrophobicContact CB-CD1 4.15Å; P74-L308 HydrophobicContact CB-CD2 3.9Å; P74-L308 HydrophobicContact CG-CD1 3.49Å; P74-L308 VanDerWaalsContact CG-CD1 3.49Å; P74-L308 HydrophobicContact CG-CD2 4.2Å; P74-L308 HydrophobicContact CG-CG 4.41Å; V304-L308 HydrophobicContact CG1-CD1 4.09Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 2.78Å; L305-L308 PolarHBondContact O-N 3.04Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-L308 PolarHBondContact O-N 2.92Å; L308-L310 PolarHBondContact O-N 3.11Å; L308-G311 WeakPolarHBondContact O-CA 3.16Å; L308-G311 PolarHBondContact O-N 3.02Å; L308-A312 WeakPolarHBondContact CD2-O 3.21Å; L308-I356 HydrophobicContact CD1-CD1 4.13Å; L308-I356 HydrophobicContact CD1-CG2 4.3Å; L308-V359 HydrophobicContact CB-CG1 3.82Å |
| 309 | A | 98.8 | Very high | 98.9 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -29.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L305 K306 G311 V359 S360 R361 L363 V364 | L305-A309 WeakPolarHBondContact O-CB 3.37Å; L305-A309 PolarHBondContact O-N 3.25Å; K306-A309 PolarHBondContact O-N 3.37Å; A309-G311 VanDerWaalsContact C-N 3.27Å; A309-V359 HydrophobicContact CB-CG1 3.93Å; A309-S360 WeakPolarHBondContact CB-O 3.44Å; A309-R361 WeakPolarHBondContact O-CA 3.48Å; A309-R361 PolarHBondContact O-N 3.38Å; A309-L363 HydrophobicContact CB-CB 4.27Å; A309-V364 HydrophobicContact CB-CB 4.36Å; A309-V364 HydrophobicContact CB-CG1 3.64Å; A309-V364 HydrophobicContact CB-CG2 3.83Å |
| 310 | L | 98.8 | Very high | 98.9 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.9 | 173.5 | -66.5 | 173.7 | 0 | 0 | 0 | 113.9 | W47 L276 L279 E280 K306 A307 L308 V364 | W47-L310 HydrophobicContact CD2-CD1 4.3Å; W47-L310 HydrophobicContact CE3-CD2 4.11Å; W47-L310 HydrophobicContact CH2-CD1 4.46Å; W47-L310 HydrophobicContact CH2-CD2 3.55Å; W47-L310 HydrophobicContact CZ2-CD1 4.23Å; W47-L310 HydrophobicContact CZ2-CD2 4.13Å; W47-L310 HydrophobicContact CZ3-CD2 3.56Å; L276-L310 HydrophobicContact CD1-CD1 3.61Å; L276-L310 HydrophobicContact CG-CD1 3.88Å; L279-L310 HydrophobicContact CD2-CB 3.75Å; L279-L310 HydrophobicContact CD2-CD1 4.49Å; L279-L310 HydrophobicContact CG-CB 4.21Å; E280-L310 HydrophobicContact CB-CD2 4.34Å; K306-L310 WeakPolarHBondContact O-CG 3.39Å; K306-L310 PolarHBondContact O-N 2.83Å; A307-L310 PolarHBondContact O-N 2.91Å; L308-L310 PolarHBondContact O-N 3.11Å; L310-V364 HydrophobicContact CD2-CG2 3.77Å; L310-V364 HydrophobicContact CG-CG2 4.16Å |
| 311 | G | 98.7 | Very high | 98.9 | Very high | 35 Ų | 35 | 12.3 Ų | 12.3 | 36% | 0.361 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104 | 8.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A307 L308 A309 | A307-G311 PolarHBondContact O-N 2.58Å; L308-G311 WeakPolarHBondContact O-CA 3.16Å; L308-G311 PolarHBondContact O-N 3.02Å; A309-G311 VanDerWaalsContact C-N 3.27Å |
| 312 | A | 98.9 | Very high | 98.9 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | trans | -65 | 141.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L279 V292 M294 A307 L308 | L279-A312 HydrophobicContact CD1-CB 4.21Å; L279-A312 HydrophobicContact CD2-CB 3.93Å; V292-A312 CarbonylContact O-C 3.5Å; V292-A312 WeakPolarHBondContact O-CA 3.49Å; M294-A312 HydrophobicContact CB-CB 4.34Å; A307-A312 HydrophobicContact CB-CB 4.29Å; A307-A312 WeakPolarHBondContact O-CB 3.4Å; A307-A312 PolarHBondContact O-N 3.08Å; L308-A312 WeakPolarHBondContact CD2-O 3.21Å | ||
| 313 | K | 98.8 | Very high | 98.9 | Very high | 65 Ų | 65 | 10.2 Ų | 10.2 | 28% | 0.283 | 6% | 0.064 | S | C | . | . | S | Bend | trans | -77.5 | -38.2 | 174.2 | -176.4 | 68.2 | -176.4 | -173.6 | 0 | 112.1 | S65 E291 V292 F293 | S65-K313 WeakPolarHBondContact O-CE 3.46Å; S65-K313 PolarHBondContact O-NZ 3.34Å; S65-K313 PolarHBondContact OG-NZ 2.84Å; E291-K313 HydrophobicContact CB-CB 4.29Å; E291-K313 HydrophobicContact CB-CG 4.38Å; E291-K313 HydrophobicContact CG-CG 4.22Å; E291-K313 WeakPolarHBondContact OE1-CE 3.33Å; V292-K313 WeakPolarHBondContact O-CB 3.4Å; V292-K313 PolarHBondContact O-N 3.28Å; F293-K313 HydrophobicContact CD1-CB 4.05Å; F293-K313 HydrophobicContact CE1-CB 3.9Å; F293-K313 HydrophobicContact CE1-CG 4.09Å |
| 314 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -158.6 | 162.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V66 P74 F293 M294 | V66-A314 HydrophobicContact CG2-CB 3.66Å; P74-A314 HydrophobicContact CB-CB 4.33Å; P74-A314 WeakPolarHBondContact O-CA 3.28Å; F293-A314 WeakPolarHBondContact CA-O 3.25Å; F293-A314 HydrophobicContact CD1-CB 4.21Å; M294-A314 PolarHBondContact N-O 2.98Å | ||
| 315 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 156.3 | 173.7 | -56.1 | 0 | 0 | 0 | 0 | 112 | P74 L75 C76 M294 V298 V304 A307 | P74-V315 PolarHBondContact O-N 3.44Å; L75-V315 WeakPolarHBondContact CA-O 3.4Å; L75-V315 HydrophobicContact CB-CG2 4.26Å; L75-V315 HydrophobicContact CD1-CG2 4.3Å; L75-V315 HydrophobicContact CG-CG2 4.24Å; C76-V315 PolarHBondContact N-O 3.07Å; M294-V315 HydrophobicContact CB-CG1 4.42Å; M294-V315 CarbonylContact O-C 3.52Å; M294-V315 WeakPolarHBondContact O-CA 3.36Å; V298-V315 HydrophobicContact CG1-CG2 4.11Å; V298-V315 HydrophobicContact CG2-CB 4.2Å; V298-V315 HydrophobicContact CG2-CG1 4.44Å; V298-V315 HydrophobicContact CG2-CG2 4.37Å; V304-V315 HydrophobicContact CB-CG2 4.27Å; V304-V315 HydrophobicContact CG1-CG2 3.87Å; V304-V315 HydrophobicContact CG2-CG2 3.9Å; A307-V315 HydrophobicContact CB-CG1 3.48Å; A307-V315 VanDerWaalsContact CB-CG1 3.48Å |
| 316 | F | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.8 | 176.1 | -68.1 | -103.5 | 0 | 0 | 0 | 111.1 | C76 M106 W133 F161 L260 F293 M294 D295 | C76-F316 HydrophobicContact CB-CD1 3.58Å; C76-F316 HydrophobicContact CB-CE1 3.54Å; C76-F316 HydrophobicContact CB-CG 4.13Å; C76-F316 HydrophobicContact CB-CZ 4.05Å; C76-F316 VanDerWaalsContact O-CA 3.31Å; C76-F316 WeakPolarHBondContact O-CA 3.15Å; M106-F316 HydrophobicContact CB-CE1 4.34Å; M106-F316 HydrophobicContact CE-CD1 4.26Å; W133-F316 AromaticContact CE3-CE1 3.92Å; W133-F316 HydrophobicContact CE3-CE1 3.92Å; W133-F316 HydrophobicContact CE3-CZ 4.3Å; W133-F316 AromaticContact CZ3-CE1 3.7Å; W133-F316 HydrophobicContact CZ3-CE1 3.7Å; W133-F316 AromaticContact CZ3-CZ 3.96Å; W133-F316 HydrophobicContact CZ3-CZ 3.96Å; F161-F316 HydrophobicContact CE1-CE2 4.26Å; F161-F316 AromaticContact CE1-CZ 3.88Å; F161-F316 HydrophobicContact CE1-CZ 3.88Å; F161-F316 HydrophobicContact CZ-CE1 4.38Å; F161-F316 HydrophobicContact CZ-CE2 4.48Å; F161-F316 AromaticContact CZ-CZ 3.75Å; F161-F316 HydrophobicContact CZ-CZ 3.75Å; L260-F316 HydrophobicContact CD1-CD2 3.91Å; L260-F316 HydrophobicContact CD1-CE2 4.46Å; L260-F316 HydrophobicContact CD2-CD2 4.41Å; F293-F316 HydrophobicContact CB-CD2 4.15Å; F293-F316 HydrophobicContact CB-CE2 3.79Å; F293-F316 HydrophobicContact CD1-CE2 4.15Å; F293-F316 HydrophobicContact CD2-CE2 4.5Å; F293-F316 AromaticContact CG-CE2 3.89Å; F293-F316 HydrophobicContact CG-CE2 3.89Å; M294-F316 PolarHBondContact O-N 3.22Å; D295-F316 HydrophobicContact CB-CB 4Å; D295-F316 WeakPolarHBondContact CB-O 3.36Å |
| 317 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.6 | 174.6 | 53.8 | 160.5 | 0 | 0 | 0 | 111.2 | L75 C76 G78 V298 P320 V321 L336 L337 L340 | L75-I317 HydrophobicContact CD1-CG2 4.25Å; L75-I317 HydrophobicContact CD2-CD1 3.92Å; L75-I317 HydrophobicContact CD2-CG1 4.05Å; C76-I317 WeakPolarHBondContact O-CG1 3.4Å; C76-I317 PolarHBondContact O-N 2.94Å; G78-I317 PolarHBondContact N-O 3.46Å; V298-I317 HydrophobicContact CB-CG2 3.99Å; V298-I317 HydrophobicContact CG1-CG2 3.77Å; I317-P320 HydrophobicContact CB-CG 4.32Å; I317-P320 HydrophobicContact CD1-CB 4.22Å; I317-V321 HydrophobicContact CD1-CG2 3.72Å; I317-V321 HydrophobicContact CG1-CG2 3.94Å; I317-L336 HydrophobicContact CD1-CD2 3.95Å; I317-L337 HydrophobicContact CD1-CD2 3.9Å; I317-L340 HydrophobicContact CD1-CD1 3.73Å |
| 318 | G | 98.9 | Very high | 98.7 | Very high | 24 Ų | 24 | 13.8 Ų | 13.8 | 25% | 0.247 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -104.9 | -86.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P320 V321 | G318-P320 VanDerWaalsContact C-CD 3.4Å; G318-V321 WeakPolarHBondContact O-CB 3.21Å; G318-V321 PolarHBondContact O-N 3.19Å |
| 319 | R | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 13.1 Ų | 13.1 | 9% | 0.094 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -47.2 | -44.1 | -177 | -65.7 | -176.4 | -173.1 | 93 | -5.3 | 115.3 | Y27 R28 S29 G265 V321 L322 W323 | Y27-R319 WeakPolarHBondContact O-CD 3.33Å; Y27-R319 PolarHBondContact O-NE 2.99Å; R28-R319 PolarHBondContact O-NE 2.91Å; R28-R319 PolarHBondContact O-NH2 2.88Å; S29-R319 PolarHBondContact O-NH2 2.94Å; G265-R319 PolarHBondContact O-NH1 2.94Å; G265-R319 PolarHBondContact O-NH2 2.97Å; R319-V321 PolarHBondContact O-N 2.8Å; R319-V321 VanDerWaalsContact O-N 3.13Å; R319-L322 WeakPolarHBondContact O-CB 3.36Å; R319-L322 PolarHBondContact O-N 3.15Å; R319-W323 HydrophobicContact CB-CZ2 3.89Å; R319-W323 HydrophobicContact CG-CZ2 4.25Å; R319-W323 VanDerWaalsContact O-CG 3.23Å; R319-W323 PolarHBondContact O-N 2.89Å; R319-W323 VanDerWaalsContact O-N 3.12Å |
| 320 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -51.7 | -39.1 | 177.8 | -29.7 | 38.2 | 0 | 0 | 0 | 113.7 | V8 I317 G318 L322 W323 G324 L336 | V8-P320 HydrophobicContact CG1-CB 3.74Å; V8-P320 HydrophobicContact CG1-CG 3.83Å; I317-P320 HydrophobicContact CB-CG 4.32Å; I317-P320 HydrophobicContact CD1-CB 4.22Å; G318-P320 VanDerWaalsContact C-CD 3.4Å; P320-L322 PolarHBondContact O-N 2.74Å; P320-W323 WeakPolarHBondContact O-CB 3.45Å; P320-W323 PolarHBondContact O-N 3.11Å; P320-G324 PolarHBondContact O-N 3.35Å; P320-L336 HydrophobicContact CB-CD1 4.06Å; P320-L336 HydrophobicContact CB-CD2 3.93Å; P320-L336 WeakPolarHBondContact O-CD1 3.32Å |
| 321 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -38.7 | 178.9 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | V77 T94 I317 G318 R319 W323 G324 L325 V333 | V77-V321 HydrophobicContact CB-CG2 4.31Å; V77-V321 HydrophobicContact CG1-CB 4.43Å; V77-V321 HydrophobicContact CG1-CG1 4.09Å; V77-V321 HydrophobicContact CG1-CG2 3.9Å; V77-V321 HydrophobicContact CG2-CG2 3.74Å; T94-V321 HydrophobicContact CG2-CG1 3.68Å; I317-V321 HydrophobicContact CD1-CG2 3.72Å; I317-V321 HydrophobicContact CG1-CG2 3.94Å; G318-V321 WeakPolarHBondContact O-CB 3.21Å; G318-V321 PolarHBondContact O-N 3.19Å; R319-V321 PolarHBondContact O-N 2.8Å; R319-V321 VanDerWaalsContact O-N 3.13Å; V321-W323 VanDerWaalsContact C-N 3.27Å; V321-W323 PolarHBondContact O-N 3.49Å; V321-G324 PolarHBondContact O-N 2.98Å; V321-L325 WeakPolarHBondContact O-CB 3.49Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 3.17Å; V321-V333 HydrophobicContact CG1-CG1 4.05Å; V321-V333 HydrophobicContact CG1-CG2 4.14Å |
| 322 | L | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.3 | -62.6 | 169.2 | 0 | 0 | 0 | 111.6 | Y27 T80 Q83 R319 P320 L325 A326 | Y27-L322 HydrophobicContact CD1-CD1 3.32Å; Y27-L322 HydrophobicContact CD1-CD2 4.27Å; Y27-L322 HydrophobicContact CD1-CG 4.31Å; Y27-L322 HydrophobicContact CD2-CD1 4.42Å; Y27-L322 HydrophobicContact CE1-CD1 3.73Å; Y27-L322 HydrophobicContact CE1-CD2 3.78Å; Y27-L322 HydrophobicContact CE1-CG 4.32Å; Y27-L322 HydrophobicContact CG-CD1 3.7Å; T80-L322 HydrophobicContact CG2-CD1 3.84Å; T80-L322 HydrophobicContact CG2-CG 4.14Å; Q83-L322 HydrophobicContact CB-CD2 4.48Å; Q83-L322 HydrophobicContact CG-CD2 3.93Å; R319-L322 WeakPolarHBondContact O-CB 3.36Å; R319-L322 PolarHBondContact O-N 3.15Å; P320-L322 PolarHBondContact O-N 2.74Å; L322-L325 HydrophobicContact CD2-CD1 4.48Å; L322-A326 WeakPolarHBondContact O-CB 3.27Å; L322-A326 PolarHBondContact O-N 3Å |
| 323 | W | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.3 | -46.7 | 175.2 | -46.6 | 154.4 | 0 | 0 | 0 | 111.3 | E12 A15 L19 Y24 Y27 R28 R319 P320 V321 L325 A326 C327 | E12-W323 HydrophobicContact CB-CD2 4.45Å; E12-W323 HydrophobicContact CB-CG 4.11Å; E12-W323 HydrophobicContact CG-CD2 4.34Å; E12-W323 HydrophobicContact CG-CZ2 4.09Å; E12-W323 PolarHBondContact OE2-NE1 3.47Å; E12-W323 VanDerWaalsContact OE2-NE1 3.13Å; A15-W323 HydrophobicContact CB-CB 4.19Å; A15-W323 HydrophobicContact CB-CD2 4.37Å; A15-W323 HydrophobicContact CB-CE3 3.82Å; L19-W323 HydrophobicContact CD1-CZ3 4.22Å; Y24-W323 HydrophobicContact CD2-CH2 4.1Å; Y24-W323 HydrophobicContact CD2-CZ3 4.03Å; Y24-W323 AromaticContact CE2-CH2 3.96Å; Y24-W323 HydrophobicContact CE2-CH2 3.96Å; Y24-W323 HydrophobicContact CE2-CZ3 4.2Å; Y27-W323 HydrophobicContact CD2-CZ3 4.22Å; Y27-W323 HydrophobicContact CG-CZ3 4.4Å; R28-W323 HydrophobicContact CB-CH2 4.26Å; R319-W323 HydrophobicContact CB-CZ2 3.89Å; R319-W323 HydrophobicContact CG-CZ2 4.25Å; R319-W323 VanDerWaalsContact O-CG 3.23Å; R319-W323 PolarHBondContact O-N 2.89Å; R319-W323 VanDerWaalsContact O-N 3.12Å; P320-W323 WeakPolarHBondContact O-CB 3.45Å; P320-W323 PolarHBondContact O-N 3.11Å; V321-W323 VanDerWaalsContact C-N 3.27Å; V321-W323 PolarHBondContact O-N 3.49Å; W323-L325 VanDerWaalsContact C-N 3.32Å; W323-L325 PolarHBondContact O-N 2.84Å; W323-A326 PolarHBondContact O-N 2.97Å; W323-A326 VanDerWaalsContact O-N 3.16Å; W323-C327 PolarHBondContact O-N 3.44Å; W323-C327 PolarHBondContact O-SG 3.12Å |
| 324 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.6 | -46.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P320 V321 C327 Q328 G332 | P320-G324 PolarHBondContact O-N 3.35Å; V321-G324 PolarHBondContact O-N 2.98Å; G324-C327 PolarHBondContact O-N 3.42Å; G324-Q328 PolarHBondContact O-N 3.35Å; G324-G332 CarbonylContact O-C 3.47Å; G324-G332 WeakPolarHBondContact O-CA 3.47Å |
| 325 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.3 | -80.1 | 174.2 | 0 | 0 | 0 | 112.2 | Q83 A86 H87 A93 T94 V321 L322 W323 C327 G329 V333 | Q83-L325 HydrophobicContact CB-CD1 3.78Å; Q83-L325 HydrophobicContact CG-CD1 4.14Å; A86-L325 HydrophobicContact CB-CB 4.01Å; H87-L325 HydrophobicContact CB-CB 4.35Å; H87-L325 WeakPolarHBondContact CB-O 3.5Å; A93-L325 HydrophobicContact CB-CD2 3.87Å; T94-L325 WeakPolarHBondContact OG1-CD1 3.42Å; V321-L325 WeakPolarHBondContact O-CB 3.49Å; V321-L325 WeakPolarHBondContact O-CG 3.44Å; V321-L325 PolarHBondContact O-N 3.17Å; L322-L325 HydrophobicContact CD2-CD1 4.48Å; W323-L325 VanDerWaalsContact C-N 3.32Å; W323-L325 PolarHBondContact O-N 2.84Å; L325-C327 VanDerWaalsContact C-N 3.26Å; L325-C327 PolarHBondContact O-N 2.7Å; L325-G329 WeakPolarHBondContact O-CA 3.35Å; L325-G329 PolarHBondContact O-N 2.71Å; L325-V333 HydrophobicContact CB-CG2 4.25Å; L325-V333 HydrophobicContact CD2-CG2 3.65Å; L325-V333 HydrophobicContact CG-CG2 3.5Å; L325-V333 VanDerWaalsContact CG-CG2 3.5Å |
| 326 | A | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.6 | -34.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A15 L19 A86 L322 W323 | A15-A326 HydrophobicContact CB-CB 3.76Å; L19-A326 HydrophobicContact CD1-CB 3.9Å; L19-A326 HydrophobicContact CD2-CB 3.85Å; L19-A326 HydrophobicContact CG-CB 3.89Å; A86-A326 HydrophobicContact CB-CB 4.33Å; L322-A326 WeakPolarHBondContact O-CB 3.27Å; L322-A326 PolarHBondContact O-N 3Å; W323-A326 PolarHBondContact O-N 2.97Å; W323-A326 VanDerWaalsContact O-N 3.16Å |
| 327 | C | 98.1 | Very high | 98.6 | Very high | 16 Ų | 16 | 21.7 Ų | 21.7 | 11% | 0.108 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.1 | -55.4 | 178.5 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | Y11 W323 G324 L325 | Y11-C327 HydrophobicContact CD1-CB 4.3Å; W323-C327 PolarHBondContact O-N 3.44Å; W323-C327 PolarHBondContact O-SG 3.12Å; G324-C327 PolarHBondContact O-N 3.42Å; L325-C327 VanDerWaalsContact C-N 3.26Å; L325-C327 PolarHBondContact O-N 2.7Å |
| 328 | Q | 97.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 25 Ų | 25 | 37% | 0.374 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -151 | 32.6 | -170.9 | -72.2 | -177.7 | -13.9 | 0 | 0 | 114.1 | G324 E330 E331 G332 | G324-Q328 PolarHBondContact O-N 3.35Å; Q328-E330 PolarHBondContact O-N 3.39Å; Q328-E331 HydrophobicContact CB-CB 4.4Å; Q328-E331 PolarHBondContact O-N 3.27Å; Q328-G332 PolarHBondContact O-N 2.9Å |
| 329 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | 56.6 | -125.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L325 V333 | L325-G329 WeakPolarHBondContact O-CA 3.35Å; L325-G329 PolarHBondContact O-N 2.71Å; G329-V333 WeakPolarHBondContact O-CG2 3.01Å; G329-V333 PolarHBondContact O-N 3.25Å; G329-V333 VanDerWaalsContact O-N 3.16Å |
| 330 | E | 98.4 | Very high | 98.6 | Very high | 69 Ų | 69 | 24.4 Ų | 24.4 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | -179.3 | 178.6 | 176.4 | 164.8 | 0 | 0 | 113.3 | A93 R96 A97 Q328 V333 T334 | A93-E330 HydrophobicContact CB-CB 3.78Å; R96-E330 VanDerWaalsContact CB-CD 3.48Å; R96-E330 HydrophobicContact CB-CG 4.14Å; R96-E330 VanDerWaalsContact CB-OE1 3.23Å; R96-E330 WeakPolarHBondContact CB-OE1 3.34Å; R96-E330 IonicContact CZ-OE2 3.66Å; R96-E330 VanDerWaalsContact CZ-OE2 3.25Å; R96-E330 IonicContact NE-OE1 3.58Å; R96-E330 IonicContact NE-OE2 3.59Å; R96-E330 PolarHBondContact NE-OE2 3.48Å; R96-E330 IonicContact NH2-OE2 2.84Å; R96-E330 PolarHBondContact NH2-OE2 3Å; A97-E330 HydrophobicContact CB-CG 4.47Å; Q328-E330 PolarHBondContact O-N 3.39Å; E330-V333 PolarHBondContact O-N 3.29Å; E330-T334 WeakPolarHBondContact O-CB 3.49Å; E330-T334 PolarHBondContact O-N 2.89Å; E330-T334 PolarHBondContact O-OG1 3.46Å |
| 331 | E | 98.3 | Very high | 98.6 | Very high | 119 Ų | 119 | 26.4 Ų | 26.4 | 56% | 0.556 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -63.3 | -47.9 | 179 | -176.4 | 172 | -158.7 | 0 | 0 | 109.9 | Q328 V333 T334 E335 | Q328-E331 HydrophobicContact CB-CB 4.4Å; Q328-E331 PolarHBondContact O-N 3.27Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 3.49Å; E331-T334 WeakPolarHBondContact O-CB 3.33Å; E331-T334 PolarHBondContact O-N 3.38Å; E331-E335 HydrophobicContact CG-CG 4.43Å; E331-E335 WeakPolarHBondContact O-CG 3.47Å; E331-E335 PolarHBondContact O-N 3.27Å |
| 332 | G | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -34 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G324 Q328 L336 | G324-G332 CarbonylContact O-C 3.47Å; G324-G332 WeakPolarHBondContact O-CA 3.47Å; Q328-G332 PolarHBondContact O-N 2.9Å; G332-L336 VanDerWaalsContact O-CB 3.25Å; G332-L336 WeakPolarHBondContact O-CB 2.95Å; G332-L336 PolarHBondContact O-N 3.33Å; G332-L336 VanDerWaalsContact O-N 3.15Å |
| 333 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.1 | -40.7 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | A97 V321 L325 G329 E330 E331 L336 L337 | A97-V333 HydrophobicContact CB-CB 3.72Å; A97-V333 HydrophobicContact CB-CG1 3.51Å; V321-V333 HydrophobicContact CG1-CG1 4.05Å; V321-V333 HydrophobicContact CG1-CG2 4.14Å; L325-V333 HydrophobicContact CB-CG2 4.25Å; L325-V333 HydrophobicContact CD2-CG2 3.65Å; L325-V333 HydrophobicContact CG-CG2 3.5Å; L325-V333 VanDerWaalsContact CG-CG2 3.5Å; G329-V333 WeakPolarHBondContact O-CG2 3.01Å; G329-V333 PolarHBondContact O-N 3.25Å; G329-V333 VanDerWaalsContact O-N 3.16Å; E330-V333 PolarHBondContact O-N 3.29Å; E331-V333 VanDerWaalsContact C-N 3.32Å; E331-V333 PolarHBondContact O-N 3.49Å; V333-L336 PolarHBondContact O-N 3.22Å; V333-L337 HydrophobicContact CG1-CD1 3.93Å; V333-L337 HydrophobicContact CG1-CG 4.28Å; V333-L337 WeakPolarHBondContact O-CB 3.41Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.32Å; V333-L337 PolarHBondContact O-N 3.13Å |
| 334 | T | 98.4 | Very high | 98.6 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | A97 V101 E330 E331 L336 L337 E338 | A97-T334 WeakPolarHBondContact CA-OG1 3.48Å; A97-T334 VanDerWaalsContact CB-OG1 3.28Å; A97-T334 WeakPolarHBondContact CB-OG1 3.38Å; V101-T334 HydrophobicContact CG2-CG2 4.09Å; E330-T334 WeakPolarHBondContact O-CB 3.49Å; E330-T334 PolarHBondContact O-N 2.89Å; E330-T334 PolarHBondContact O-OG1 3.46Å; E331-T334 WeakPolarHBondContact O-CB 3.33Å; E331-T334 PolarHBondContact O-N 3.38Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 3.46Å; T334-L337 PolarHBondContact O-N 3.19Å; T334-E338 PolarHBondContact O-N 3.48Å |
| 335 | E | 98.5 | Very high | 98.6 | Very high | 74 Ų | 74 | 37 Ų | 37 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 176.5 | -69.9 | -178.1 | 161.8 | 0 | 0 | 111.9 | R5 Y11 E331 E338 L339 | R5-E335 IonicContact CZ-OE2 3.73Å; R5-E335 IonicContact NE-OE2 3.21Å; R5-E335 IonicContact NH2-OE2 3.59Å; R5-E335 PolarHBondContact NH2-OE2 2.91Å; Y11-E335 VanDerWaalsContact OH-CB 3.22Å; Y11-E335 WeakPolarHBondContact OH-CB 2.94Å; Y11-E335 PolarHBondContact OH-OE2 3.33Å; E331-E335 HydrophobicContact CG-CG 4.43Å; E331-E335 WeakPolarHBondContact O-CG 3.47Å; E331-E335 PolarHBondContact O-N 3.27Å; E335-E338 PolarHBondContact O-N 3.11Å; E335-L339 VanDerWaalsContact O-CB 3.24Å; E335-L339 WeakPolarHBondContact O-CB 3.19Å; E335-L339 PolarHBondContact O-N 3.24Å |
| 336 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 178 | 179.7 | 137.6 | 0 | 0 | 0 | 112.6 | Y11 I317 P320 G332 V333 T334 L340 | Y11-L336 HydrophobicContact CD1-CD1 4.07Å; Y11-L336 HydrophobicContact CD2-CD1 3.96Å; Y11-L336 HydrophobicContact CE1-CB 4.13Å; Y11-L336 HydrophobicContact CE1-CD1 4.44Å; Y11-L336 HydrophobicContact CE2-CB 4.37Å; Y11-L336 HydrophobicContact CE2-CD1 4.35Å; Y11-L336 HydrophobicContact CG-CD1 3.82Å; I317-L336 HydrophobicContact CD1-CD2 3.95Å; P320-L336 HydrophobicContact CB-CD1 4.06Å; P320-L336 HydrophobicContact CB-CD2 3.93Å; P320-L336 WeakPolarHBondContact O-CD1 3.32Å; G332-L336 VanDerWaalsContact O-CB 3.25Å; G332-L336 WeakPolarHBondContact O-CB 2.95Å; G332-L336 PolarHBondContact O-N 3.33Å; G332-L336 VanDerWaalsContact O-N 3.15Å; V333-L336 PolarHBondContact O-N 3.22Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 3.46Å; L336-L340 HydrophobicContact CD2-CD1 4.03Å; L336-L340 PolarHBondContact O-N 3.4Å; L336-L340 VanDerWaalsContact O-N 3.14Å |
| 337 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.3 | -41.3 | 177.2 | -73.1 | 175.7 | 0 | 0 | 0 | 111.8 | M73 L75 V77 V101 T103 I317 V333 T334 L340 K341 | M73-L337 HydrophobicContact CE-CB 4.39Å; M73-L337 HydrophobicContact CE-CD2 4.29Å; L75-L337 HydrophobicContact CD2-CD2 3.73Å; V77-L337 HydrophobicContact CG2-CD1 4.33Å; V77-L337 HydrophobicContact CG2-CD2 4.14Å; V101-L337 HydrophobicContact CB-CB 4.37Å; V101-L337 HydrophobicContact CB-CD1 4.5Å; V101-L337 HydrophobicContact CG1-CB 4.17Å; V101-L337 HydrophobicContact CG2-CB 3.86Å; V101-L337 HydrophobicContact CG2-CD1 4.28Å; T103-L337 HydrophobicContact CG2-CD1 4.33Å; I317-L337 HydrophobicContact CD1-CD2 3.9Å; V333-L337 HydrophobicContact CG1-CD1 3.93Å; V333-L337 HydrophobicContact CG1-CG 4.28Å; V333-L337 WeakPolarHBondContact O-CB 3.41Å; V333-L337 VanDerWaalsContact O-CG 3.29Å; V333-L337 WeakPolarHBondContact O-CG 3.32Å; V333-L337 PolarHBondContact O-N 3.13Å; T334-L337 PolarHBondContact O-N 3.19Å; L337-L340 PolarHBondContact O-N 3.37Å; L337-K341 VanDerWaalsContact O-CB 3.29Å; L337-K341 WeakPolarHBondContact O-CB 3.28Å; L337-K341 PolarHBondContact O-N 2.81Å |
| 338 | E | 98.5 | Very high | 98.6 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.2 | -35.8 | 174.8 | -72.9 | -62.8 | 165.4 | 0 | 0 | 112 | V101 T334 E335 K341 E342 | V101-E338 HydrophobicContact CG2-CG 4.01Å; T334-E338 PolarHBondContact O-N 3.48Å; E335-E338 PolarHBondContact O-N 3.11Å; E338-K341 VanDerWaalsContact CD-NZ 3.34Å; E338-K341 WeakPolarHBondContact O-CB 3.38Å; E338-K341 PolarHBondContact O-N 3.16Å; E338-K341 IonicContact OE1-NZ 3.06Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 WeakPolarHBondContact OE2-CD 3.28Å; E338-K341 IonicContact OE2-NZ 3.12Å; E338-K341 PolarHBondContact OE2-NZ 3.23Å; E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 PolarHBondContact O-N 3.35Å |
| 339 | L | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57 | -52.3 | 171.3 | 170.6 | 67.9 | 0 | 0 | 0 | 111.3 | V6 Y11 E335 K341 E342 E343 | V6-L339 WeakPolarHBondContact O-CD1 3.38Å; Y11-L339 HydrophobicContact CE2-CD2 4.11Å; E335-L339 VanDerWaalsContact O-CB 3.24Å; E335-L339 WeakPolarHBondContact O-CB 3.19Å; E335-L339 PolarHBondContact O-N 3.24Å; L339-K341 VanDerWaalsContact C-N 3.29Å; L339-K341 PolarHBondContact O-N 2.99Å; L339-E342 PolarHBondContact O-N 2.94Å; L339-E343 HydrophobicContact CD1-CG 4.49Å; L339-E343 WeakPolarHBondContact O-CG 3.39Å; L339-E343 PolarHBondContact O-N 3.46Å |
| 340 | L | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -33.3 | 179.7 | -75 | 168.4 | 0 | 0 | 0 | 112.6 | V8 L75 R299 I317 L336 L337 L344 | V8-L340 HydrophobicContact CG2-CD1 4.22Å; V8-L340 HydrophobicContact CG2-CD2 3.89Å; V8-L340 HydrophobicContact CG2-CG 4.11Å; L75-L340 HydrophobicContact CD1-CB 4.05Å; L75-L340 HydrophobicContact CD1-CD1 4.09Å; R299-L340 WeakPolarHBondContact O-CD2 3.47Å; I317-L340 HydrophobicContact CD1-CD1 3.73Å; L336-L340 HydrophobicContact CD2-CD1 4.03Å; L336-L340 PolarHBondContact O-N 3.4Å; L336-L340 VanDerWaalsContact O-N 3.14Å; L337-L340 PolarHBondContact O-N 3.37Å; L340-L344 WeakPolarHBondContact O-CB 3.27Å; L340-L344 PolarHBondContact O-N 3.29Å |
| 341 | K | 98.7 | Very high | 98.7 | Very high | 42 Ų | 42 | 40 Ų | 40 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 173.8 | -173.9 | 164.9 | 148.3 | -143.8 | 0 | 111.4 | M62 M73 V101 L337 E338 L339 L344 R345 | M62-K341 HydrophobicContact CE-CD 4.43Å; M62-K341 HydrophobicContact CE-CG 3.47Å; M62-K341 VanDerWaalsContact CE-CG 3.47Å; M73-K341 HydrophobicContact CE-CB 4.31Å; M73-K341 HydrophobicContact CG-CD 4.43Å; M73-K341 HydrophobicContact SD-CB 3.47Å; M73-K341 WeakPolarHBondContact SD-CB 3.46Å; M73-K341 HydrophobicContact SD-CD 3.87Å; M73-K341 HydrophobicContact SD-CG 3.69Å; V101-K341 HydrophobicContact CG1-CD 3.96Å; L337-K341 VanDerWaalsContact O-CB 3.29Å; L337-K341 WeakPolarHBondContact O-CB 3.28Å; L337-K341 PolarHBondContact O-N 2.81Å; E338-K341 VanDerWaalsContact CD-NZ 3.34Å; E338-K341 WeakPolarHBondContact O-CB 3.38Å; E338-K341 PolarHBondContact O-N 3.16Å; E338-K341 IonicContact OE1-NZ 3.06Å; E338-K341 PolarHBondContact OE1-NZ 2.95Å; E338-K341 WeakPolarHBondContact OE2-CD 3.28Å; E338-K341 IonicContact OE2-NZ 3.12Å; E338-K341 PolarHBondContact OE2-NZ 3.23Å; L339-K341 VanDerWaalsContact C-N 3.29Å; L339-K341 PolarHBondContact O-N 2.99Å; K341-L344 PolarHBondContact O-N 3.35Å; K341-R345 WeakPolarHBondContact O-CB 3.36Å; K341-R345 PolarHBondContact O-N 2.91Å |
| 342 | E | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 34.4 Ų | 34.4 | 42% | 0.416 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 177.1 | 179.1 | 53.1 | -153.6 | 0 | 0 | 111.9 | E338 L339 L344 R345 L346 | E338-E342 WeakPolarHBondContact O-CB 3.45Å; E338-E342 PolarHBondContact O-N 3.35Å; L339-E342 PolarHBondContact O-N 2.94Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 3.35Å; E342-R345 WeakPolarHBondContact O-CB 3.25Å; E342-R345 PolarHBondContact O-N 3.4Å; E342-R345 IonicContact OE1-CZ 3.62Å; E342-R345 VanDerWaalsContact OE1-CZ 3.32Å; E342-R345 IonicContact OE1-NE 3.74Å; E342-R345 PolarHBondContact OE1-NE 3.45Å; E342-R345 IonicContact OE1-NH2 2.69Å; E342-R345 PolarHBondContact OE1-NH2 2.87Å; E342-R345 IonicContact OE2-CZ 3.11Å; E342-R345 IonicContact OE2-NE 2.81Å; E342-R345 PolarHBondContact OE2-NE 3.44Å; E342-R345 IonicContact OE2-NH2 3.19Å; E342-L346 WeakPolarHBondContact O-CB 3.22Å; E342-L346 PolarHBondContact O-N 2.87Å |
| 343 | E | 98.9 | Very high | 98.7 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 173.5 | -74.3 | -170.2 | -174 | 0 | 0 | 112 | R300 G301 L339 A347 | R300-E343 WeakPolarHBondContact CA-OE2 3.22Å; R300-E343 WeakPolarHBondContact CB-OE2 3.39Å; G301-E343 PolarHBondContact N-OE2 3.13Å; L339-E343 HydrophobicContact CD1-CG 4.49Å; L339-E343 WeakPolarHBondContact O-CG 3.39Å; L339-E343 PolarHBondContact O-N 3.46Å; E343-A347 WeakPolarHBondContact O-CB 3.31Å; E343-A347 PolarHBondContact O-N 3.08Å |
| 344 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -44.3 | 175.8 | 173.7 | 60 | 0 | 0 | 0 | 111.1 | M62 P74 V304 L305 L340 K341 E342 L346 A347 L348 | M62-L344 HydrophobicContact SD-CB 4.21Å; M62-L344 HydrophobicContact SD-CD2 4.1Å; M62-L344 HydrophobicContact SD-CG 3.92Å; P74-L344 HydrophobicContact CG-CD2 3.89Å; V304-L344 HydrophobicContact CB-CD1 4.12Å; V304-L344 HydrophobicContact CG1-CD1 4.11Å; V304-L344 HydrophobicContact CG1-CD2 3.92Å; L305-L344 HydrophobicContact CB-CD1 4.29Å; L340-L344 WeakPolarHBondContact O-CB 3.27Å; L340-L344 PolarHBondContact O-N 3.29Å; K341-L344 PolarHBondContact O-N 3.35Å; E342-L344 VanDerWaalsContact C-N 3.29Å; E342-L344 PolarHBondContact O-N 3.35Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 3.41Å; L344-A347 PolarHBondContact O-N 3.05Å; L344-L348 HydrophobicContact CD1-CD1 4.05Å; L344-L348 HydrophobicContact CD1-CG 4.06Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.47Å; L344-L348 WeakPolarHBondContact O-CG 3.27Å; L344-L348 PolarHBondContact O-N 3.37Å |
| 345 | R | 98.9 | Very high | 98.7 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 32% | 0.321 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.9 | -46.9 | 176.6 | -168.6 | -160.5 | 65.4 | 72.8 | 2.5 | 110.7 | V60 M62 K341 E342 L348 A349 | V60-R345 HydrophobicContact CB-CG 4.23Å; V60-R345 HydrophobicContact CG1-CG 4.37Å; M62-R345 HydrophobicContact CE-CB 3.77Å; M62-R345 HydrophobicContact CE-CG 4.17Å; M62-R345 VanDerWaalsContact SD-CA 3.53Å; M62-R345 HydrophobicContact SD-CB 3.64Å; M62-R345 HydrophobicContact SD-CG 4.29Å; M62-R345 PolarHBondContact SD-N 2.89Å; M62-R345 VanDerWaalsContact SD-N 3.43Å; K341-R345 WeakPolarHBondContact O-CB 3.36Å; K341-R345 PolarHBondContact O-N 2.91Å; E342-R345 WeakPolarHBondContact O-CB 3.25Å; E342-R345 PolarHBondContact O-N 3.4Å; E342-R345 IonicContact OE1-CZ 3.62Å; E342-R345 VanDerWaalsContact OE1-CZ 3.32Å; E342-R345 IonicContact OE1-NE 3.74Å; E342-R345 PolarHBondContact OE1-NE 3.45Å; E342-R345 IonicContact OE1-NH2 2.69Å; E342-R345 PolarHBondContact OE1-NH2 2.87Å; E342-R345 IonicContact OE2-CZ 3.11Å; E342-R345 IonicContact OE2-NE 2.81Å; E342-R345 PolarHBondContact OE2-NE 3.44Å; E342-R345 IonicContact OE2-NH2 3.19Å; R345-L348 PolarHBondContact O-N 3.33Å; R345-A349 WeakPolarHBondContact O-CB 3.39Å; R345-A349 PolarHBondContact O-N 3.27Å |
| 346 | L | 98.9 | Very high | 98.7 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 43% | 0.429 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.7 | -44 | 177.3 | -177.6 | 61.8 | 0 | 0 | 0 | 111.7 | E342 L344 L348 A349 L350 | E342-L346 WeakPolarHBondContact O-CB 3.22Å; E342-L346 PolarHBondContact O-N 2.87Å; L344-L346 VanDerWaalsContact C-N 3.29Å; L344-L346 PolarHBondContact O-N 3.41Å; L346-L348 PolarHBondContact O-N 3.47Å; L346-A349 PolarHBondContact O-N 3.36Å; L346-L350 HydrophobicContact CD1-CD1 3.91Å; L346-L350 HydrophobicContact CD1-CG 3.98Å; L346-L350 HydrophobicContact CG-CD1 3.88Å; L346-L350 HydrophobicContact CG-CG 4.31Å; L346-L350 WeakPolarHBondContact O-CB 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.25Å; L346-L350 PolarHBondContact O-N 2.97Å |
| 347 | A | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T302 L305 E343 L344 S351 | T302-A347 HydrophobicContact CG2-CB 3.83Å; L305-A347 HydrophobicContact CD2-CB 3.92Å; E343-A347 WeakPolarHBondContact O-CB 3.31Å; E343-A347 PolarHBondContact O-N 3.08Å; L344-A347 PolarHBondContact O-N 3.05Å; A347-S351 VanDerWaalsContact O-CB 3.24Å; A347-S351 WeakPolarHBondContact O-CB 3.14Å; A347-S351 PolarHBondContact O-N 2.95Å; A347-S351 PolarHBondContact O-OG 3.12Å |
| 348 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 174.2 | -75.4 | 164.3 | 0 | 0 | 0 | 111.1 | V60 M62 L305 L344 R345 L346 L350 S351 G352 C353 I356 V359 | V60-L348 HydrophobicContact CG1-CB 3.84Å; V60-L348 HydrophobicContact CG1-CD1 3.86Å; M62-L348 HydrophobicContact CG-CD1 3.66Å; M62-L348 HydrophobicContact SD-CD1 4.18Å; L305-L348 HydrophobicContact CD1-CD2 3.79Å; L344-L348 HydrophobicContact CD1-CD1 4.05Å; L344-L348 HydrophobicContact CD1-CG 4.06Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.47Å; L344-L348 WeakPolarHBondContact O-CG 3.27Å; L344-L348 PolarHBondContact O-N 3.37Å; R345-L348 PolarHBondContact O-N 3.33Å; L346-L348 PolarHBondContact O-N 3.47Å; L348-L350 PolarHBondContact O-N 3Å; L348-S351 WeakPolarHBondContact CA-OG 3.31Å; L348-S351 PolarHBondContact O-N 3.25Å; L348-S351 VanDerWaalsContact O-N 3.15Å; L348-S351 PolarHBondContact O-OG 3.14Å; L348-G352 PolarHBondContact O-N 3.05Å; L348-G352 VanDerWaalsContact O-N 3.13Å; L348-C353 CarbonylContact C-O 3.58Å; L348-C353 HydrophobicContact CB-CB 4.47Å; L348-C353 HydrophobicContact CD2-CB 3.8Å; L348-C353 PolarHBondContact O-N 3.44Å; L348-I356 HydrophobicContact CD1-CD1 3.66Å; L348-I356 HydrophobicContact CD2-CD1 4.21Å; L348-V359 HydrophobicContact CD2-CG2 3.52Å |
| 349 | A | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 41 Ų | 41 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.9 | -50.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V57 V60 R345 L346 S351 G352 | V57-A349 HydrophobicContact CB-CB 4.09Å; V57-A349 HydrophobicContact CG2-CB 3.94Å; V60-A349 HydrophobicContact CG2-CB 4.13Å; R345-A349 WeakPolarHBondContact O-CB 3.39Å; R345-A349 PolarHBondContact O-N 3.27Å; L346-A349 PolarHBondContact O-N 3.36Å; A349-S351 PolarHBondContact O-N 2.83Å; A349-G352 PolarHBondContact O-N 2.95Å |
| 350 | L | 98.8 | Very high | 98.5 | Very high | 126 Ų | 126 | 41.6 Ų | 41.6 | 66% | 0.66 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -67.6 | -24 | 179.8 | -66.9 | 178 | 0 | 0 | 0 | 113.2 | P51 L346 L348 G352 | P51-L350 VanDerWaalsContact CB-O 3.29Å; P51-L350 WeakPolarHBondContact CB-O 3.38Å; L346-L350 HydrophobicContact CD1-CD1 3.91Å; L346-L350 HydrophobicContact CD1-CG 3.98Å; L346-L350 HydrophobicContact CG-CD1 3.88Å; L346-L350 HydrophobicContact CG-CG 4.31Å; L346-L350 WeakPolarHBondContact O-CB 3.29Å; L346-L350 WeakPolarHBondContact O-CG 3.25Å; L346-L350 PolarHBondContact O-N 2.97Å; L348-L350 PolarHBondContact O-N 3Å; L350-G352 VanDerWaalsContact C-N 3.31Å |
| 351 | S | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -81.3 | -8.9 | 172.5 | 74 | 0 | 0 | 0 | 0 | 114 | R52 A347 L348 A349 | R52-S351 PolarHBondContact N-O 3.14Å; A347-S351 VanDerWaalsContact O-CB 3.24Å; A347-S351 WeakPolarHBondContact O-CB 3.14Å; A347-S351 PolarHBondContact O-N 2.95Å; A347-S351 PolarHBondContact O-OG 3.12Å; L348-S351 WeakPolarHBondContact CA-OG 3.31Å; L348-S351 PolarHBondContact O-N 3.25Å; L348-S351 VanDerWaalsContact O-N 3.15Å; L348-S351 PolarHBondContact O-OG 3.14Å; A349-S351 PolarHBondContact O-N 2.83Å |
| 352 | G | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 22.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R52 R55 L348 A349 L350 | R52-G352 WeakPolarHBondContact O-CA 3.35Å; R55-G352 PolarHBondContact NE-O 3.47Å; L348-G352 PolarHBondContact O-N 3.05Å; L348-G352 VanDerWaalsContact O-N 3.13Å; A349-G352 PolarHBondContact O-N 2.95Å; L350-G352 VanDerWaalsContact C-N 3.31Å |
| 353 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -101.4 | 122.1 | 177.5 | -72.5 | 0 | 0 | 0 | 0 | 110.6 | L348 E358 V359 L363 | L348-C353 CarbonylContact C-O 3.58Å; L348-C353 HydrophobicContact CB-CB 4.47Å; L348-C353 HydrophobicContact CD2-CB 3.8Å; L348-C353 PolarHBondContact O-N 3.44Å; C353-E358 HydrophobicContact CB-CB 4.29Å; C353-V359 HydrophobicContact CB-CG2 4.47Å; C353-L363 VanDerWaalsContact SG-CD1 3.54Å | ||
| 354 | R | 98 | Very high | 98.3 | Very high | 113 Ų | 113 | 41.5 Ų | 41.5 | 43% | 0.426 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -86.4 | -16.3 | 178.6 | -60.7 | 175.2 | -62 | 172.5 | 4.5 | 113.4 | D56 V57 V60 D61 E358 | D56-R354 WeakPolarHBondContact O-CD 3.23Å; D56-R354 WeakPolarHBondContact O-CG 3.23Å; V57-R354 HydrophobicContact CG1-CG 4.25Å; V60-R354 CarbonylContact C-O 3.46Å; V60-R354 WeakPolarHBondContact CA-O 3.44Å; D61-R354 PolarHBondContact N-O 3.19Å; R354-E358 IonicContact CZ-OE1 2.91Å; R354-E358 PolarHBondContact N-OE2 3.43Å; R354-E358 IonicContact NE-OE1 3.24Å; R354-E358 PolarHBondContact NE-OE1 2.82Å; R354-E358 IonicContact NE-OE2 3.62Å; R354-E358 IonicContact NH2-OE1 3.28Å; R354-E358 PolarHBondContact NH2-OE1 3.29Å |
| 355 | S | 98.3 | Very high | 98.2 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -153.2 | 163.6 | 179.3 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | D61 S357 E358 | D61-S355 WeakPolarHBondContact O-CA 3.37Å; S355-S357 PolarHBondContact O-N 3.17Å; S355-S357 PolarHBondContact OG-OG 2.75Å; S355-E358 PolarHBondContact O-N 3.44Å; S355-E358 VanDerWaalsContact O-N 3.07Å |
| 356 | I | 97.9 | Very high | 98.1 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -57.6 | -33.8 | 172.8 | -57.7 | -52.2 | 0 | 0 | 0 | 111.8 | D61 M62 P74 L308 L348 E358 V359 | D61-I356 PolarHBondContact O-N 3.16Å; M62-I356 WeakPolarHBondContact O-CG1 3.5Å; P74-I356 HydrophobicContact CG-CD1 3.8Å; P74-I356 HydrophobicContact CG-CG1 4.18Å; L308-I356 HydrophobicContact CD1-CD1 4.13Å; L308-I356 HydrophobicContact CD1-CG2 4.3Å; L348-I356 HydrophobicContact CD1-CD1 3.66Å; L348-I356 HydrophobicContact CD2-CD1 4.21Å; I356-E358 PolarHBondContact O-N 3.48Å; I356-V359 VanDerWaalsContact O-CB 3.29Å; I356-V359 WeakPolarHBondContact O-CB 3.35Å; I356-V359 WeakPolarHBondContact O-CG2 3.39Å; I356-V359 PolarHBondContact O-N 2.95Å; I356-V359 VanDerWaalsContact O-N 3.08Å |
| 357 | S | 97.3 | Very high | 97.6 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 76% | 0.755 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -67.2 | -17.3 | 178 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | S355 | S355-S357 PolarHBondContact O-N 3.17Å; S355-S357 PolarHBondContact OG-OG 2.75Å |
| 358 | E | 98.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -86.2 | -8.2 | 173.5 | -68.7 | -169.7 | -174.3 | 0 | 0 | 113.1 | R55 C353 R354 S355 I356 | R55-E358 IonicContact NH2-OE1 2.89Å; R55-E358 IonicContact NH2-OE2 2.66Å; R55-E358 PolarHBondContact NH2-OE2 3.06Å; C353-E358 HydrophobicContact CB-CB 4.29Å; R354-E358 IonicContact CZ-OE1 2.91Å; R354-E358 PolarHBondContact N-OE2 3.43Å; R354-E358 IonicContact NE-OE1 3.24Å; R354-E358 PolarHBondContact NE-OE1 2.82Å; R354-E358 IonicContact NE-OE2 3.62Å; R354-E358 IonicContact NH2-OE1 3.28Å; R354-E358 PolarHBondContact NH2-OE1 3.29Å; S355-E358 PolarHBondContact O-N 3.44Å; S355-E358 VanDerWaalsContact O-N 3.07Å; I356-E358 PolarHBondContact O-N 3.48Å |
| 359 | V | 98.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | trans | -72.1 | 128 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 109 | L305 L308 A309 L348 C353 I356 L363 | L305-V359 HydrophobicContact CD1-CB 4.46Å; L305-V359 HydrophobicContact CD1-CG1 3.84Å; L305-V359 HydrophobicContact CD1-CG2 3.71Å; L308-V359 HydrophobicContact CB-CG1 3.82Å; A309-V359 HydrophobicContact CB-CG1 3.93Å; L348-V359 HydrophobicContact CD2-CG2 3.52Å; C353-V359 HydrophobicContact CB-CG2 4.47Å; I356-V359 VanDerWaalsContact O-CB 3.29Å; I356-V359 WeakPolarHBondContact O-CB 3.35Å; I356-V359 WeakPolarHBondContact O-CG2 3.39Å; I356-V359 PolarHBondContact O-N 2.95Å; I356-V359 VanDerWaalsContact O-N 3.08Å; V359-L363 HydrophobicContact CB-CD1 4.29Å; V359-L363 HydrophobicContact CG1-CD1 3.96Å | ||
| 360 | S | 97.3 | Very high | 92.9 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | trans | -144.5 | 164.8 | -177.9 | 70.2 | 0 | 0 | 0 | 0 | 111.9 | A309 S362 L363 | A309-S360 WeakPolarHBondContact CB-O 3.44Å; S360-S362 PolarHBondContact O-N 3.32Å; S360-S362 PolarHBondContact OG-OG 2.96Å; S360-L363 WeakPolarHBondContact O-CB 3.23Å; S360-L363 PolarHBondContact O-N 2.73Å | ||
| 361 | R | 97.9 | Very high | 90.6 | Very high | 97 Ų | 97 | 65.2 Ų | 65.2 | 37% | 0.366 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -54.1 | -26.5 | 178.5 | -175.4 | 58.8 | -176.9 | 79.6 | -4.1 | 114.7 | E280 A309 L363 V364 | E280-R361 IonicContact OE1-CZ 3.67Å; E280-R361 IonicContact OE1-NE 2.85Å; E280-R361 PolarHBondContact OE1-NE 3.1Å; E280-R361 IonicContact OE1-NH2 3.61Å; E280-R361 IonicContact OE2-CZ 3.55Å; E280-R361 IonicContact OE2-NE 3.23Å; E280-R361 PolarHBondContact OE2-NE 3.21Å; E280-R361 IonicContact OE2-NH2 2.95Å; E280-R361 PolarHBondContact OE2-NH2 3.46Å; A309-R361 WeakPolarHBondContact O-CA 3.48Å; A309-R361 PolarHBondContact O-N 3.38Å; R361-L363 PolarHBondContact O-N 3.37Å; R361-V364 PolarHBondContact NH1-O 2.86Å; R361-V364 WeakPolarHBondContact O-CG2 3.45Å; R361-V364 PolarHBondContact O-N 2.68Å |
| 362 | S | 97.4 | Very high | 88.1 | Confident | 78 Ų | 78 | 76.5 Ų | 76.5 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -65.1 | -21.9 | 177 | 69.6 | 0 | 0 | 0 | 0 | 114 | S360 V364 | S360-S362 PolarHBondContact O-N 3.32Å; S360-S362 PolarHBondContact OG-OG 2.96Å; S362-V364 PolarHBondContact O-N 2.94Å |
| 363 | L | 97.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 88.1 Ų | 88.1 | 0% | 0 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -73.6 | -11.8 | 178.5 | -68.6 | 173.8 | 0 | 0 | 0 | 113.1 | L49 I50 A309 C353 V359 S360 R361 | L49-L363 CarbonylContact C-O 3.51Å; L49-L363 VanDerWaalsContact CA-O 3.25Å; L49-L363 WeakPolarHBondContact CA-O 3.36Å; I50-L363 PolarHBondContact N-O 3.33Å; I50-L363 WeakPolarHBondContact O-CD2 3.44Å; A309-L363 HydrophobicContact CB-CB 4.27Å; C353-L363 VanDerWaalsContact SG-CD1 3.54Å; V359-L363 HydrophobicContact CB-CD1 4.29Å; V359-L363 HydrophobicContact CG1-CD1 3.96Å; S360-L363 WeakPolarHBondContact O-CB 3.23Å; S360-L363 PolarHBondContact O-N 2.73Å; R361-L363 PolarHBondContact O-N 3.37Å |
| 364 | V | 98.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 92.6 Ų | 92.6 | 3% | 0.03 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 140 | -177.4 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | W47 Y48 L49 K306 A309 L310 R361 S362 | W47-V364 HydrophobicContact CE3-CB 4.07Å; W47-V364 HydrophobicContact CE3-CG2 4.17Å; W47-V364 HydrophobicContact CZ3-CG2 4.22Å; Y48-V364 CarbonylContact O-C 3.55Å; Y48-V364 VanDerWaalsContact O-CA 3.24Å; Y48-V364 WeakPolarHBondContact O-CA 3.36Å; L49-V364 HydrophobicContact CD2-CG1 3.91Å; K306-V364 HydrophobicContact CB-CG1 4.33Å; K306-V364 HydrophobicContact CG-CG1 4.03Å; A309-V364 HydrophobicContact CB-CB 4.36Å; A309-V364 HydrophobicContact CB-CG1 3.64Å; A309-V364 HydrophobicContact CB-CG2 3.83Å; L310-V364 HydrophobicContact CD2-CG2 3.77Å; L310-V364 HydrophobicContact CG-CG2 4.16Å; R361-V364 PolarHBondContact NH1-O 2.86Å; R361-V364 WeakPolarHBondContact O-CG2 3.45Å; R361-V364 PolarHBondContact O-N 2.68Å; S362-V364 PolarHBondContact O-N 2.94Å |
| 365 | R | 97.5 | Very high | 84.1 | Confident | 161 Ų | 161 | 91.5 Ų | 91.5 | 61% | 0.608 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.7 | 171.7 | -172.3 | -179.3 | -62.6 | 173.8 | 1.1 | 108.8 | Y48 I50 | Y48-R365 PolarHBondContact N-O 2.9Å; Y48-R365 PolarHBondContact O-N 3.13Å; I50-R365 HydrophobicContact CD1-CB 4.15Å; I50-R365 HydrophobicContact CG1-CB 4.16Å |
| 366 | R | 95.8 | Very high | 83.3 | Confident | 107 Ų | 107 | 95.4 Ų | 95.4 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.4 | 171.9 | -162.7 | 175 | -179.3 | 172.5 | 2.6 | 108.9 | R46 W47 D277 D368 | R46-R366 CarbonylContact O-C 3.58Å; R46-R366 WeakPolarHBondContact O-CA 3.16Å; W47-R366 HydrophobicContact CD2-CB 4.02Å; W47-R366 HydrophobicContact CD2-CG 4.17Å; W47-R366 HydrophobicContact CE3-CB 3.84Å; W47-R366 HydrophobicContact CH2-CB 3.89Å; W47-R366 HydrophobicContact CH2-CG 4.42Å; W47-R366 HydrophobicContact CZ2-CB 4.03Å; W47-R366 HydrophobicContact CZ2-CG 4.06Å; W47-R366 HydrophobicContact CZ3-CB 3.77Å; D277-R366 IonicContact OD1-CZ 3.94Å; D277-R366 IonicContact OD1-NH2 3.76Å; D277-R366 IonicContact OD2-NH2 3.22Å; D277-R366 PolarHBondContact OD2-NH2 2.84Å; R366-D368 PolarHBondContact O-N 3.39Å |
| 367 | A | 88.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 99.7 Ų | 99.7 | 15% | 0.149 | 50% | 0.501 | C | S | . | . | trans | -66.7 | 113.5 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | R46 Y48 F369 | R46-A367 PolarHBondContact O-N 3.35Å; Y48-A367 HydrophobicContact CD2-CB 4.26Å; Y48-A367 HydrophobicContact CE2-CB 3.54Å; A367-F369 HydrophobicContact CB-CE2 4.34Å; A367-F369 PolarHBondContact O-N 2.77Å | ||
| 368 | D | 81.5 | Confident | 81.5 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 72% | 0.722 | 49% | 0.485 | S | S | * | . | trans | -79 | 102.6 | 169.9 | -65 | -33.2 | 0 | 0 | 0 | 107.9 | R366 T370 | R366-D368 PolarHBondContact O-N 3.39Å; D368-T370 PolarHBondContact O-N 2.81Å | ||
| 369 | F | 62.9 | Low | 80.4 | Confident | 180 Ų | 180 | 103.4 Ų | 103.4 | 79% | 0.789 | 51% | 0.506 | S | S | * | . | trans | -73.2 | 84.9 | 165.3 | -75 | -82.1 | 0 | 0 | 0 | 108 | A367 S371 | A367-F369 HydrophobicContact CB-CE2 4.34Å; A367-F369 PolarHBondContact O-N 2.77Å; F369-S371 PolarHBondContact O-N 2.72Å | ||
| 370 | T | 52.5 | Low | 79.1 | Confident | 117 Ų | 117 | 109.4 Ų | 109.4 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | trans | -69.8 | 107.3 | 157.4 | 45.1 | 0 | 0 | 0 | 0 | 106.2 | D368 R372 | D368-T370 PolarHBondContact O-N 2.81Å; T370-R372 PolarHBondContact O-N 3.48Å | ||
| 371 | S | 50.5 | Low | 77.7 | Confident | 99 Ų | 99 | 114.2 Ų | 114.2 | 69% | 0.692 | 55% | 0.55 | S | S | * | . | trans | -51.9 | 108.2 | 161.8 | 157.9 | 0 | 0 | 0 | 0 | 106.2 | F369 M373 | F369-S371 PolarHBondContact O-N 2.72Å; S371-M373 VanDerWaalsContact C-N 3.28Å; S371-M373 PolarHBondContact O-N 3.32Å; S371-M373 VanDerWaalsContact O-N 3.09Å | ||
| 372 | R | 45.7 | Very low | 76 | Confident | 240 Ų | 240 | 115.6 Ų | 115.6 | 91% | 0.906 | 57% | 0.565 | S | S | * | * | trans | -68.6 | 102.6 | 155.7 | -72.6 | -172.8 | -178.7 | -172.6 | 0.4 | 104 | T370 | T370-R372 PolarHBondContact O-N 3.48Š| ||
| 373 | M | 42.9 | Very low | 74 | Confident | 247 Ų | 247 | 119 Ų | 119 | 100% | 1.217 | 57% | 0.567 | S | S | * | * | trans | -51.4 | 0 | 167.4 | -82.1 | -173.4 | -87.6 | 0 | 0 | 110.8 | S371 | S371-M373 VanDerWaalsContact C-N 3.28Å; S371-M373 PolarHBondContact O-N 3.32Å; S371-M373 VanDerWaalsContact O-N 3.09Å |
Retrieved 373 of 373 residues in 91.9 ms
(Link to these results)