| 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 | 38.5 | Very low | 77.3 | Confident | 233 Ų | 233 | 85.7 Ų | 85.7 | 100% | 1.148 | 43% | 0.433 | S | S | * | . | 0 | 126.3 | 0 | -92.7 | 171.1 | -118.1 | 0 | 0 | 107.3 | N3 | M1-N3 PolarHBondContact O-N 3.33Å; M1-N3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | Q | 44.6 | Very low | 78.9 | Confident | 118 Ų | 118 | 82.9 Ų | 82.9 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | trans | -54.9 | 120.1 | 169.1 | -110.8 | 172.1 | -4.8 | 0 | 0 | 107.3 | F4 | Q2-F4 VanDerWaalsContact C-N 3.31Å; Q2-F4 HydrophobicContact CB-CE1 4.03Å; Q2-F4 HydrophobicContact CB-CE2 4.1Å; Q2-F4 HydrophobicContact CB-CZ 3.7Å; Q2-F4 VanDerWaalsContact O-CD2 3.28Å; Q2-F4 WeakPolarHBondContact O-CD2 3.35Å; Q2-F4 WeakPolarHBondContact O-CE2 3.38Å; Q2-F4 PolarHBondContact O-N 3.21Å | ||
| 3 | N | 50.9 | Low | 80.3 | Confident | 153 Ų | 153 | 76.5 Ų | 76.5 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | trans | -73 | 94.1 | 176.1 | -115.6 | 2.9 | 0 | 0 | 0 | 106.9 | M1 D5 | M1-N3 PolarHBondContact O-N 3.33Å; M1-N3 VanDerWaalsContact O-N 3.14Å; N3-D5 PolarHBondContact O-N 2.62Å | ||
| 4 | F | 69.8 | Low | 81.5 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 31% | 0.311 | 39% | 0.385 | S | S | . | . | trans | -68.3 | 79.4 | 173.3 | -65.2 | -63.9 | 0 | 0 | 0 | 109.1 | Q2 V6 P53 Q91 F94 | Q2-F4 VanDerWaalsContact C-N 3.31Å; Q2-F4 HydrophobicContact CB-CE1 4.03Å; Q2-F4 HydrophobicContact CB-CE2 4.1Å; Q2-F4 HydrophobicContact CB-CZ 3.7Å; Q2-F4 VanDerWaalsContact O-CD2 3.28Å; Q2-F4 WeakPolarHBondContact O-CD2 3.35Å; Q2-F4 WeakPolarHBondContact O-CE2 3.38Å; Q2-F4 PolarHBondContact O-N 3.21Å; F4-V6 PolarHBondContact O-N 2.93Å; F4-V6 VanDerWaalsContact O-N 3.13Å; F4-P53 HydrophobicContact CE1-CG 4.38Å; F4-Q91 HydrophobicContact CE1-CG 3.54Å; F4-Q91 HydrophobicContact CE2-CG 4.4Å; F4-Q91 HydrophobicContact CZ-CB 4.48Å; F4-Q91 HydrophobicContact CZ-CG 3.28Å; F4-F94 HydrophobicContact CB-CD2 3.73Å; F4-F94 HydrophobicContact CB-CE2 3.71Å; F4-F94 AromaticContact CD1-CD2 3.55Å; F4-F94 HydrophobicContact CD1-CD2 3.55Å; F4-F94 HydrophobicContact CD1-CE2 4.03Å; F4-F94 HydrophobicContact CD1-CG 4.32Å; F4-F94 AromaticContact CG-CD2 3.99Å; F4-F94 HydrophobicContact CG-CD2 3.99Å; F4-F94 HydrophobicContact CG-CE2 4.35Å | ||
| 5 | D | 85.1 | Confident | 82.6 | Confident | 73 Ų | 73 | 83.5 Ų | 83.5 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | trans | -86.2 | 83.1 | -179.9 | -167 | -17.5 | 0 | 0 | 0 | 110.1 | N3 E7 K8 A9 | N3-D5 PolarHBondContact O-N 2.62Å; D5-E7 PolarHBondContact O-N 3.25Å; D5-E7 WeakPolarHBondContact OD1-CB 3.5Å; D5-E7 PolarHBondContact OD1-N 3.13Å; D5-K8 HydrophobicContact CB-CB 3.99Å; D5-K8 PolarHBondContact O-N 2.86Å; D5-K8 PolarHBondContact OD1-N 3.24Å; D5-K8 WeakPolarHBondContact OD2-CB 3.46Å; D5-A9 PolarHBondContact O-N 3.38Å | ||
| 6 | V | 90.5 | Very high | 83.5 | Confident | 25 Ų | 25 | 85 Ų | 85 | 15% | 0.152 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | F4 A9 S10 F94 R97 A101 | F4-V6 PolarHBondContact O-N 2.93Å; F4-V6 VanDerWaalsContact O-N 3.13Å; V6-A9 PolarHBondContact O-N 3.12Å; V6-S10 VanDerWaalsContact O-CB 3.27Å; V6-S10 WeakPolarHBondContact O-CB 3.27Å; V6-S10 PolarHBondContact O-N 3.42Å; V6-S10 PolarHBondContact O-OG 3.22Å; V6-F94 HydrophobicContact CG2-CD2 4.07Å; V6-F94 HydrophobicContact CG2-CE2 3.56Å; V6-F94 HydrophobicContact CG2-CZ 4.09Å; V6-R97 HydrophobicContact CG1-CB 4.25Å; V6-R97 WeakPolarHBondContact CG1-O 3.45Å; V6-R97 HydrophobicContact CG2-CB 3.88Å; V6-A101 HydrophobicContact CG1-CB 3.69Å |
| 7 | E | 90.8 | Very high | 84.3 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 44% | 0.444 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.2 | -49.5 | 178.9 | -72.2 | -66.2 | 166.6 | 0 | 0 | 110.5 | D5 A9 S10 A11 | D5-E7 PolarHBondContact O-N 3.25Å; D5-E7 WeakPolarHBondContact OD1-CB 3.5Å; D5-E7 PolarHBondContact OD1-N 3.13Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.38Å; E7-S10 PolarHBondContact O-N 3.42Å; E7-S10 VanDerWaalsContact O-N 3.17Å; E7-S10 PolarHBondContact O-OG 3.17Å; E7-A11 WeakPolarHBondContact O-CB 3.44Å; E7-A11 PolarHBondContact O-N 2.84Å |
| 8 | K | 93.7 | Very high | 84.9 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 176.5 | -171.1 | 177.1 | -176.7 | 177 | 0 | 112.4 | D5 Y12 P50 | D5-K8 HydrophobicContact CB-CB 3.99Å; D5-K8 PolarHBondContact O-N 2.86Å; D5-K8 PolarHBondContact OD1-N 3.24Å; D5-K8 WeakPolarHBondContact OD2-CB 3.46Å; K8-Y12 PolarHBondContact O-N 3.13Å; K8-Y12 VanDerWaalsContact O-N 3.12Å; K8-P50 HydrophobicContact CD-CB 4.06Å; K8-P50 HydrophobicContact CG-CB 3.99Å; K8-P50 HydrophobicContact CG-CG 4.18Å |
| 9 | A | 94.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D5 V6 E7 Y12 V13 I49 P50 F94 L98 | D5-A9 PolarHBondContact O-N 3.38Å; V6-A9 PolarHBondContact O-N 3.12Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.38Å; A9-Y12 PolarHBondContact O-N 3.35Å; A9-V13 WeakPolarHBondContact O-CG2 3.39Å; A9-V13 PolarHBondContact O-N 3.16Å; A9-V13 VanDerWaalsContact O-N 3.15Å; A9-I49 HydrophobicContact CB-CG2 3.89Å; A9-P50 VanDerWaalsContact CB-O 3.28Å; A9-P50 WeakPolarHBondContact CB-O 3.27Å; A9-F94 HydrophobicContact CB-CE1 4.05Å; A9-F94 HydrophobicContact CB-CZ 3.86Å; A9-L98 HydrophobicContact CB-CD1 3.83Å; A9-L98 HydrophobicContact CB-CD2 4.41Å |
| 10 | S | 94.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | -179 | 79.6 | 0 | 0 | 0 | 0 | 112.3 | V6 E7 V13 R14 | V6-S10 VanDerWaalsContact O-CB 3.27Å; V6-S10 WeakPolarHBondContact O-CB 3.27Å; V6-S10 PolarHBondContact O-N 3.42Å; V6-S10 PolarHBondContact O-OG 3.22Å; E7-S10 PolarHBondContact O-N 3.42Å; E7-S10 VanDerWaalsContact O-N 3.17Å; E7-S10 PolarHBondContact O-OG 3.17Å; S10-V13 PolarHBondContact O-N 3.32Å; S10-R14 WeakPolarHBondContact O-CB 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.27Å; S10-R14 WeakPolarHBondContact O-CG 3.28Å; S10-R14 PolarHBondContact O-N 2.87Å |
| 11 | A | 96.4 | Very high | 86.7 | Confident | 47 Ų | 47 | 82.7 Ų | 82.7 | 39% | 0.388 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | E7 V13 R14 E15 | E7-A11 WeakPolarHBondContact O-CB 3.44Å; E7-A11 PolarHBondContact O-N 2.84Å; A11-V13 VanDerWaalsContact C-N 3.28Å; A11-V13 PolarHBondContact O-N 3.12Å; A11-R14 PolarHBondContact O-N 3.33Å; A11-E15 PolarHBondContact O-N 3.05Å; A11-E15 VanDerWaalsContact O-N 3.12Å |
| 12 | Y | 97.2 | Very high | 89.6 | Confident | 52 Ų | 52 | 73 Ų | 73 | 20% | 0.204 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.7 | -40.8 | 177.6 | -177.6 | -93.8 | 0 | 0 | 0 | 112.9 | K8 A9 R16 I44 D48 I49 P50 | K8-Y12 PolarHBondContact O-N 3.13Å; K8-Y12 VanDerWaalsContact O-N 3.12Å; A9-Y12 PolarHBondContact O-N 3.35Å; Y12-R16 PolarHBondContact O-NH1 3.46Å; Y12-R16 PolarHBondContact OH-NH2 3.24Å; Y12-R16 VanDerWaalsContact OH-NH2 3.13Å; Y12-I44 HydrophobicContact CD1-CG2 4.47Å; Y12-I44 HydrophobicContact CE1-CG2 3.9Å; Y12-D48 HydrophobicContact CE1-CB 4.07Å; Y12-D48 WeakPolarHBondContact CE1-O 3.38Å; Y12-D48 VanDerWaalsContact CZ-O 3.26Å; Y12-D48 WeakPolarHBondContact OH-CB 3.28Å; Y12-I49 HydrophobicContact CD1-CG1 4.23Å; Y12-I49 HydrophobicContact CE1-CG1 4.37Å; Y12-P50 HydrophobicContact CG-CG 4.34Å |
| 13 | V | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.9 | -42.6 | 178 | 172 | 0 | 0 | 0 | 0 | 111.3 | A9 S10 A11 E15 R16 V17 I44 I49 L64 F66 L102 | A9-V13 WeakPolarHBondContact O-CG2 3.39Å; A9-V13 PolarHBondContact O-N 3.16Å; A9-V13 VanDerWaalsContact O-N 3.15Å; S10-V13 PolarHBondContact O-N 3.32Å; A11-V13 VanDerWaalsContact C-N 3.28Å; A11-V13 PolarHBondContact O-N 3.12Å; V13-E15 VanDerWaalsContact C-N 3.27Å; V13-E15 PolarHBondContact O-N 3.33Å; V13-R16 PolarHBondContact O-N 2.98Å; V13-V17 PolarHBondContact O-N 3.4Å; V13-I44 HydrophobicContact CB-CD1 4.24Å; V13-I44 HydrophobicContact CG1-CD1 3.87Å; V13-I44 HydrophobicContact CG2-CD1 4.16Å; V13-I49 HydrophobicContact CG2-CD1 4.09Å; V13-I49 HydrophobicContact CG2-CG1 4.13Å; V13-I49 HydrophobicContact CG2-CG2 4.36Å; V13-L64 HydrophobicContact CG1-CD1 4.34Å; V13-L64 HydrophobicContact CG2-CD1 3.97Å; V13-F66 HydrophobicContact CG1-CE2 4.08Å; V13-F66 HydrophobicContact CG1-CZ 3.65Å; V13-L102 HydrophobicContact CB-CD1 4.34Å; V13-L102 HydrophobicContact CB-CD2 3.91Å; V13-L102 HydrophobicContact CG1-CD1 3.65Å; V13-L102 HydrophobicContact CG1-CD2 3.66Å; V13-L102 HydrophobicContact CG1-CG 4.31Å |
| 14 | R | 97.3 | Very high | 94.4 | Very high | 112 Ų | 112 | 60.1 Ų | 60.1 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.5 | -30.1 | -179.9 | -77.9 | 174.5 | -176.9 | 157.6 | -4.8 | 113.8 | S10 A11 R16 V17 P18 A101 L102 | S10-R14 WeakPolarHBondContact O-CB 3.38Å; S10-R14 VanDerWaalsContact O-CG 3.27Å; S10-R14 WeakPolarHBondContact O-CG 3.28Å; S10-R14 PolarHBondContact O-N 2.87Å; A11-R14 PolarHBondContact O-N 3.33Å; R14-R16 PolarHBondContact O-N 3.3Å; R14-V17 WeakPolarHBondContact CA-O 3.48Å; R14-V17 CarbonylContact O-C 3.41Å; R14-P18 WeakPolarHBondContact O-CA 3.46Å; R14-A101 PolarHBondContact NH2-O 3.36Å; R14-L102 HydrophobicContact CG-CD2 3.83Å |
| 15 | E | 97.3 | Very high | 95.6 | Very high | 146 Ų | 146 | 56.7 Ų | 56.7 | 68% | 0.682 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.6 | 172.6 | -74.8 | 176.7 | 176.2 | 0 | 0 | 112.6 | A11 V13 | A11-E15 PolarHBondContact O-N 3.05Å; A11-E15 VanDerWaalsContact O-N 3.12Å; V13-E15 VanDerWaalsContact C-N 3.27Å; V13-E15 PolarHBondContact O-N 3.33Å |
| 16 | R | 96.8 | Very high | 96.1 | Very high | 107 Ų | 107 | 53.2 Ų | 53.2 | 40% | 0.404 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -33.9 | -178.2 | -70.6 | 159.5 | -178.6 | 66.5 | 8.1 | 112.2 | Y12 V13 R14 I44 | Y12-R16 PolarHBondContact O-NH1 3.46Å; Y12-R16 PolarHBondContact OH-NH2 3.24Å; Y12-R16 VanDerWaalsContact OH-NH2 3.13Å; V13-R16 PolarHBondContact O-N 2.98Å; R14-R16 PolarHBondContact O-N 3.3Å; R16-I44 HydrophobicContact CB-CD1 3.85Å |
| 17 | V | 97.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -132.6 | 89 | 178.4 | -174 | 0 | 0 | 0 | 0 | 109 | V13 R14 T42 I44 F66 L73 | V13-V17 PolarHBondContact O-N 3.4Å; R14-V17 WeakPolarHBondContact CA-O 3.48Å; R14-V17 CarbonylContact O-C 3.41Å; V17-T42 HydrophobicContact CG2-CG2 3.9Å; V17-I44 HydrophobicContact CG2-CD1 4.39Å; V17-F66 HydrophobicContact CB-CD1 4.35Å; V17-F66 HydrophobicContact CB-CE1 4.45Å; V17-F66 HydrophobicContact CB-CG 4.42Å; V17-F66 HydrophobicContact CG1-CB 4.49Å; V17-F66 HydrophobicContact CG1-CD1 3.81Å; V17-F66 HydrophobicContact CG1-CE1 4.17Å; V17-F66 HydrophobicContact CG1-CG 4.13Å; V17-F66 HydrophobicContact CG2-CB 4.22Å; V17-F66 HydrophobicContact CG2-CD1 4.26Å; V17-F66 HydrophobicContact CG2-CD2 3.77Å; V17-F66 HydrophobicContact CG2-CE2 4.13Å; V17-F66 HydrophobicContact CG2-CG 3.84Å; V17-L73 HydrophobicContact CG1-CD2 4.04Å | ||
| 18 | P | 96 | Very high | 95.1 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 70% | 0.695 | 25% | 0.249 | S | C | * | . | trans | -74.1 | -27.1 | -177 | -18.6 | 32 | 0 | 0 | 0 | 113.8 | R14 | R14-P18 WeakPolarHBondContact O-CA 3.46Š| ||
| 19 | E | 97.1 | Very high | 93.7 | Very high | 101 Ų | 101 | 44.5 Ų | 44.5 | 47% | 0.472 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.4 | 145 | 180 | -175.1 | 175.3 | 170 | 0 | 0 | 111.2 | P21 Y68 L73 | E19-P21 WeakPolarHBondContact O-CD 3.39Å; E19-Y68 PolarHBondContact OE2-OH 3.49Å; E19-L73 HydrophobicContact CB-CD2 3.73Å; E19-L73 HydrophobicContact CG-CD2 3.8Å; E19-L73 WeakPolarHBondContact O-CD2 3.29Å |
| 20 | K | 97.4 | Very high | 92.5 | Very high | 149 Ų | 149 | 46 Ų | 46 | 65% | 0.648 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -82.1 | 123 | -179.5 | -63.9 | -178.5 | -179.5 | 178 | 0 | 110.2 | ||
| 21 | P | 98.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 139.8 | 175 | -15 | 27.5 | 0 | 0 | 0 | 111.2 | E19 I23 F66 L73 V75 V104 P105 | E19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-I23 VanDerWaalsContact C-N 3.32Å; P21-F66 HydrophobicContact CG-CD1 4.05Å; P21-F66 HydrophobicContact CG-CE1 3.79Å; P21-L73 CarbonylContact C-O 3.46Å; P21-L73 WeakPolarHBondContact CA-O 3.39Å; P21-L73 HydrophobicContact CB-CD2 4.47Å; P21-L73 HydrophobicContact CB-CG 4.2Å; P21-L73 HydrophobicContact CG-CD2 4.26Å; P21-L73 HydrophobicContact CG-CG 4.4Å; P21-V75 HydrophobicContact CB-CB 4.45Å; P21-V75 HydrophobicContact CB-CG1 4.08Å; P21-V75 HydrophobicContact CG-CB 4.39Å; P21-V75 HydrophobicContact CG-CG1 4.17Å; P21-V104 HydrophobicContact CB-CG2 3.91Å; P21-V104 HydrophobicContact CG-CG2 3.88Å; P21-P105 WeakPolarHBondContact O-CD 3.4Å |
| 22 | A | 98.3 | Very high | 90.6 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -73.8 | -26.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K72 L73 P105 | A22-K72 HydrophobicContact CB-CB 4.27Å; A22-K72 HydrophobicContact CB-CD 4.08Å; A22-L73 PolarHBondContact N-O 3.43Å; A22-P105 WeakPolarHBondContact O-CD 3.28Å; A22-P105 WeakPolarHBondContact O-CG 3.49Å |
| 23 | I | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 147.7 | -178.8 | -171.9 | 160.3 | 0 | 0 | 0 | 111.1 | P21 T74 V75 K106 F108 F271 I272 L275 | P21-I23 VanDerWaalsContact C-N 3.32Å; I23-T74 HydrophobicContact CG2-CG2 4.03Å; I23-V75 PolarHBondContact O-N 3.16Å; I23-V75 VanDerWaalsContact O-N 3.1Å; I23-K106 WeakPolarHBondContact CA-O 3.29Å; I23-K106 HydrophobicContact CB-CB 4.27Å; I23-K106 HydrophobicContact CD1-CB 4.18Å; I23-K106 HydrophobicContact CG1-CB 3.99Å; I23-F108 HydrophobicContact CD1-CB 4.16Å; I23-F271 HydrophobicContact CD1-CE1 3.91Å; I23-I272 HydrophobicContact CD1-CG1 4.47Å; I23-I272 HydrophobicContact CG2-CD1 4.21Å; I23-I272 HydrophobicContact CG2-CG1 4.11Å; I23-I272 HydrophobicContact CG2-CG2 4.17Å; I23-L275 HydrophobicContact CB-CD1 4.23Å; I23-L275 HydrophobicContact CD1-CD1 3.62Å; I23-L275 HydrophobicContact CG2-CD1 4.29Å |
| 24 | A | 97.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 V75 L99 V104 K106 I107 F108 | A24-L26 HydrophobicContact CB-CD1 4.32Å; A24-V75 CarbonylContact C-O 3.49Å; A24-V75 VanDerWaalsContact CA-O 3.27Å; A24-V75 WeakPolarHBondContact CA-O 3.47Å; A24-V75 HydrophobicContact CB-CG1 3.58Å; A24-L99 HydrophobicContact CB-CD1 3.65Å; A24-L99 HydrophobicContact CB-CD2 3.89Å; A24-L99 HydrophobicContact CB-CG 4.26Å; A24-V104 HydrophobicContact CB-CG1 3.87Å; A24-K106 PolarHBondContact N-O 3.05Å; A24-I107 HydrophobicContact CB-CG1 4.37Å; A24-I107 CarbonylContact O-C 3.46Å; A24-I107 WeakPolarHBondContact O-CA 3.44Å; A24-F108 PolarHBondContact O-N 3.43Å |
| 25 | I | 96.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 119.9 | 173.7 | -50 | 177.5 | 0 | 0 | 0 | 108.1 | H31 L34 T74 V75 I76 M77 F108 T268 I272 | I25-H31 HydrophobicContact CG2-CB 4.33Å; I25-L34 HydrophobicContact CD1-CD2 3.52Å; I25-T74 HydrophobicContact CD1-CG2 3.86Å; I25-T74 HydrophobicContact CG1-CG2 4.06Å; I25-V75 PolarHBondContact N-O 3.39Å; I25-I76 HydrophobicContact CB-CG1 4.32Å; I25-I76 HydrophobicContact CD1-CD1 4.17Å; I25-I76 HydrophobicContact CD1-CG1 4.04Å; I25-I76 HydrophobicContact CG1-CG1 4.47Å; I25-M77 PolarHBondContact O-N 3Å; I25-F108 WeakPolarHBondContact CA-O 3.16Å; I25-F108 HydrophobicContact CG1-CB 4.37Å; I25-F108 HydrophobicContact CG2-CD1 4.15Å; I25-T268 HydrophobicContact CD1-CG2 3.92Å; I25-I272 HydrophobicContact CD1-CD1 3.52Å; I25-I272 HydrophobicContact CG1-CD1 4.22Å |
| 26 | L | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114 | 169.1 | -81.9 | 62.3 | 0 | 0 | 0 | 107.1 | A24 M77 R80 Q95 V96 L99 I107 F108 L109 S110 E220 | A24-L26 HydrophobicContact CB-CD1 4.32Å; L26-M77 HydrophobicContact CD1-CB 4.31Å; L26-M77 HydrophobicContact CG-CB 4.18Å; L26-R80 HydrophobicContact CB-CG 4.36Å; L26-Q95 HydrophobicContact CD2-CG 4.15Å; L26-V96 HydrophobicContact CD2-CG2 4.19Å; L26-L99 HydrophobicContact CD1-CD1 3.69Å; L26-I107 HydrophobicContact CD1-CD1 3.82Å; L26-I107 HydrophobicContact CD1-CG1 4.09Å; L26-I107 HydrophobicContact CD2-CD1 4.12Å; L26-F108 PolarHBondContact N-O 3.08Å; L26-L109 HydrophobicContact CB-CD2 3.81Å; L26-L109 HydrophobicContact CD2-CD2 4.14Å; L26-L109 HydrophobicContact CG-CD2 4.49Å; L26-S110 PolarHBondContact O-N 3.37Å; L26-E220 HydrophobicContact CD2-CB 4.29Å; L26-E220 HydrophobicContact CD2-CG 3.96Å |
| 27 | S | 85.7 | Confident | 88 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.6 | -174.6 | -174 | 0 | 0 | 0 | 0 | 111.3 | T29 H31 M77 S110 | S27-T29 PolarHBondContact OG-N 2.87Å; S27-T29 PolarHBondContact OG-OG1 3.33Å; S27-H31 PolarHBondContact OG-N 3.16Å; S27-H31 PolarHBondContact OG-ND1 2.89Å; S27-M77 PolarHBondContact N-O 3.16Å; S27-S110 WeakPolarHBondContact CA-OG 3.33Å; S27-S110 WeakPolarHBondContact CB-OG 3.33Å; S27-S110 PolarHBondContact OG-OG 3.29Å |
| 28 | S | 75 | Confident | 87.8 | Confident | 54 Ų | 54 | 44.2 Ų | 44.2 | 38% | 0.378 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -104.3 | 7 | 162.6 | 46 | 0 | 0 | 0 | 0 | 112.6 | S110 T111 D216 | S28-S110 PolarHBondContact N-O 3.43Å; S28-S110 PolarHBondContact OG-O 3.07Å; S28-T111 WeakPolarHBondContact OG-CA 3.34Å; S28-T111 PolarHBondContact OG-OG1 2.87Å; S28-D216 PolarHBondContact OG-OD2 2.72Å |
| 29 | T | 64.8 | Low | 87.9 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -127.5 | 23.3 | -164.6 | 72.7 | 0 | 0 | 0 | 0 | 114.6 | S27 S110 T111 V112 N261 | S27-T29 PolarHBondContact OG-N 2.87Å; S27-T29 PolarHBondContact OG-OG1 3.33Å; T29-S110 PolarHBondContact OG1-OG 2.94Å; T29-T111 VanDerWaalsContact CG2-C 3.43Å; T29-V112 HydrophobicContact CG2-CG2 3.55Å; T29-N261 PolarHBondContact O-ND2 3.29Å |
| 30 | G | 69.5 | Low | 87.7 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | trans | 89.8 | 20.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E32 E33 | G30-E32 PolarHBondContact O-N 3.21Å; G30-E33 PolarHBondContact O-N 2.85Å | ||
| 31 | H | 76.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -65.4 | 4.9 | 169.5 | -71 | 62.3 | 0 | 0 | 0 | 113.6 | I25 S27 E33 L34 S110 T268 | I25-H31 HydrophobicContact CG2-CB 4.33Å; S27-H31 PolarHBondContact OG-N 3.16Å; S27-H31 PolarHBondContact OG-ND1 2.89Å; H31-E33 PolarHBondContact O-N 3.1Å; H31-L34 VanDerWaalsContact O-CB 3.24Å; H31-L34 WeakPolarHBondContact O-CB 3.32Å; H31-L34 PolarHBondContact O-N 3.05Å; H31-L34 VanDerWaalsContact O-N 3.08Å; H31-S110 PolarHBondContact CE1-OG 3.1Å; H31-S110 VanDerWaalsContact CE1-OG 3.31Å; H31-S110 PolarHBondContact ND1-OG 3.39Å; H31-T268 PolarHBondContact NE2-OG1 2.97Å |
| 32 | E | 75.6 | Confident | 87.4 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 35% | 0.346 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -59.5 | -33.6 | 169.6 | 59.8 | -166.3 | -178.9 | 0 | 0 | 111.8 | G30 L34 A35 R60 P78 | G30-E32 PolarHBondContact O-N 3.21Å; E32-L34 PolarHBondContact O-N 3.18Å; E32-A35 WeakPolarHBondContact O-CB 3.4Å; E32-A35 PolarHBondContact O-N 2.88Å; E32-A35 VanDerWaalsContact O-N 3.1Å; E32-R60 VanDerWaalsContact CD-NH1 3.3Å; E32-R60 IonicContact OE1-CZ 2.74Å; E32-R60 IonicContact OE1-NH1 2.91Å; E32-R60 PolarHBondContact OE1-NH1 3.36Å; E32-R60 IonicContact OE1-NH2 3.51Å; E32-R60 PolarHBondContact OE1-NH2 2.84Å; E32-R60 IonicContact OE2-CZ 2.84Å; E32-R60 IonicContact OE2-NH1 3.29Å; E32-R60 PolarHBondContact OE2-NH1 2.95Å; E32-P78 HydrophobicContact CB-CB 3.92Å |
| 33 | E | 84.4 | Confident | 87.2 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -66.9 | -18.8 | 175.1 | -65.3 | 173.7 | -172 | 0 | 0 | 112.7 | G30 H31 A35 D36 L265 | G30-E33 PolarHBondContact O-N 2.85Å; H31-E33 PolarHBondContact O-N 3.1Å; E33-A35 PolarHBondContact O-N 2.78Å; E33-D36 WeakPolarHBondContact O-CB 3.45Å; E33-D36 PolarHBondContact O-N 3.24Å; E33-D36 VanDerWaalsContact O-N 3.09Å; E33-L265 HydrophobicContact CB-CD1 3.63Å |
| 34 | L | 84.8 | Confident | 87 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -68 | -20.3 | 175.9 | -171 | 65.2 | 0 | 0 | 0 | 110.6 | I25 H31 E32 D36 Q37 M38 L69 I76 L265 T268 E269 | I25-L34 HydrophobicContact CD1-CD2 3.52Å; H31-L34 VanDerWaalsContact O-CB 3.24Å; H31-L34 WeakPolarHBondContact O-CB 3.32Å; H31-L34 PolarHBondContact O-N 3.05Å; H31-L34 VanDerWaalsContact O-N 3.08Å; E32-L34 PolarHBondContact O-N 3.18Å; L34-D36 PolarHBondContact O-N 3.39Å; L34-Q37 HydrophobicContact CD1-CB 4.37Å; L34-Q37 HydrophobicContact CD1-CG 4.44Å; L34-Q37 PolarHBondContact O-N 2.57Å; L34-Q37 VanDerWaalsContact O-N 3.12Å; L34-M38 WeakPolarHBondContact O-CG 3.28Å; L34-L69 HydrophobicContact CD1-CD1 4.36Å; L34-L69 HydrophobicContact CD1-CD2 4.48Å; L34-L69 HydrophobicContact CD2-CD1 3.94Å; L34-L69 HydrophobicContact CG-CD1 4.16Å; L34-I76 HydrophobicContact CB-CD1 3.83Å; L34-I76 HydrophobicContact CD2-CD1 3.93Å; L34-I76 HydrophobicContact CG-CD1 4.06Å; L34-L265 HydrophobicContact CB-CD1 4.08Å; L34-L265 HydrophobicContact CB-CG 4.14Å; L34-L265 HydrophobicContact CD1-CD2 3.96Å; L34-L265 HydrophobicContact CD1-CG 4Å; L34-T268 HydrophobicContact CD2-CG2 4.07Å; L34-E269 HydrophobicContact CD1-CB 3.92Å; L34-E269 HydrophobicContact CD1-CG 4.45Å |
| 35 | A | 83.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 53.4 Ų | 53.4 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -59.2 | -30.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E32 E33 Q37 M38 L65 | E32-A35 WeakPolarHBondContact O-CB 3.4Å; E32-A35 PolarHBondContact O-N 2.88Å; E32-A35 VanDerWaalsContact O-N 3.1Å; E33-A35 PolarHBondContact O-N 2.78Å; A35-Q37 PolarHBondContact O-N 2.73Å; A35-M38 WeakPolarHBondContact O-CB 3.34Å; A35-M38 PolarHBondContact O-N 2.9Å; A35-M38 VanDerWaalsContact O-N 3.14Å; A35-L65 HydrophobicContact CB-CD1 3.48Å; A35-L65 VanDerWaalsContact CB-CD1 3.48Å; A35-L65 HydrophobicContact CB-CD2 3.54Å; A35-L65 HydrophobicContact CB-CG 4.16Å |
| 36 | D | 87.7 | Confident | 86.4 | Confident | 137 Ų | 137 | 53.9 Ų | 53.9 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -71.1 | -19.4 | 179.7 | -63.8 | -26 | 0 | 0 | 0 | 112 | E33 L34 | E33-D36 WeakPolarHBondContact O-CB 3.45Å; E33-D36 PolarHBondContact O-N 3.24Å; E33-D36 VanDerWaalsContact O-N 3.09Å; L34-D36 PolarHBondContact O-N 3.39Å |
| 37 | Q | 90.7 | Very high | 86.1 | Confident | 105 Ų | 105 | 57.3 Ų | 57.3 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -91.4 | -3 | 174.9 | -56.4 | -63.7 | -20.2 | 0 | 0 | 112.7 | L34 A35 L69 | L34-Q37 HydrophobicContact CD1-CB 4.37Å; L34-Q37 HydrophobicContact CD1-CG 4.44Å; L34-Q37 PolarHBondContact O-N 2.57Å; L34-Q37 VanDerWaalsContact O-N 3.12Å; A35-Q37 PolarHBondContact O-N 2.73Å; Q37-L69 HydrophobicContact CB-CD2 4.12Å |
| 38 | M | 94.2 | Very high | 86.4 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 7% | 0.069 | 33% | 0.334 | C | S | . | . | trans | -95 | 137.6 | -173.8 | -69.8 | 169.8 | 67.9 | 0 | 0 | 112.1 | L34 A35 C41 L65 G67 Y68 L69 T74 I76 | L34-M38 WeakPolarHBondContact O-CG 3.28Å; A35-M38 WeakPolarHBondContact O-CB 3.34Å; A35-M38 PolarHBondContact O-N 2.9Å; A35-M38 VanDerWaalsContact O-N 3.14Å; M38-C41 WeakPolarHBondContact CB-SG 3.48Å; M38-C41 PolarHBondContact O-SG 3.08Å; M38-L65 HydrophobicContact CE-CD2 3.78Å; M38-L65 HydrophobicContact SD-CD2 3.66Å; M38-G67 VanDerWaalsContact CE-O 3.29Å; M38-G67 WeakPolarHBondContact CE-O 3.46Å; M38-Y68 WeakPolarHBondContact CA-O 3.42Å; M38-L69 HydrophobicContact CG-CD1 4.46Å; M38-L69 HydrophobicContact CG-CD2 3.57Å; M38-L69 HydrophobicContact CG-CG 3.77Å; M38-T74 HydrophobicContact CE-CG2 4.39Å; M38-T74 WeakPolarHBondContact CE-O 3.33Å; M38-I76 HydrophobicContact CE-CD1 4.44Å; M38-I76 HydrophobicContact CE-CG1 4.41Å; M38-I76 HydrophobicContact SD-CD1 3.41Å; M38-I76 WeakPolarHBondContact SD-CD1 3.46Å; M38-I76 HydrophobicContact SD-CG1 3.98Å | ||
| 39 | D | 96 | Very high | 87.3 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 152.3 | 173.2 | -73.9 | -46.7 | 0 | 0 | 0 | 111.9 | C41 G67 Y68 | D39-C41 PolarHBondContact O-N 2.7Å; D39-G67 CarbonylContact O-C 3.53Å; D39-G67 WeakPolarHBondContact O-CA 3.5Å; D39-Y68 PolarHBondContact N-O 3.38Å; D39-Y68 PolarHBondContact O-N 2.93Å |
| 40 | K | 94.6 | Very high | 88.6 | Confident | 170 Ų | 170 | 59.7 Ų | 59.7 | 74% | 0.739 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.4 | 48.6 | 173 | -56 | 175 | -179.5 | 174.9 | 0 | 113.4 | Y68 | K40-Y68 HydrophobicContact CB-CD2 3.97Å; K40-Y68 HydrophobicContact CB-CE2 4.14Å; K40-Y68 HydrophobicContact CD-CD2 4.19Å; K40-Y68 HydrophobicContact CD-CE2 4.08Å |
| 41 | C | 94.4 | Very high | 89.4 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141.9 | -173.8 | -64.6 | 0 | 0 | 0 | 0 | 113.4 | M38 D39 F66 | M38-C41 WeakPolarHBondContact CB-SG 3.48Å; M38-C41 PolarHBondContact O-SG 3.08Å; D39-C41 PolarHBondContact O-N 2.7Å; C41-F66 CarbonylContact C-O 3.57Å; C41-F66 WeakPolarHBondContact CA-O 3.48Å |
| 42 | T | 95 | Very high | 90 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.35 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 122.6 | 170.4 | -64 | 0 | 0 | 0 | 0 | 108.7 | V17 I44 F66 | V17-T42 HydrophobicContact CG2-CG2 3.9Å; T42-I44 HydrophobicContact CG2-CG1 4.46Å; T42-F66 PolarHBondContact N-O 3.49Å; T42-F66 PolarHBondContact O-N 3.16Å |
| 43 | T | 93.3 | Very high | 90.4 | Very high | 91 Ų | 91 | 57.8 Ų | 57.8 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.5 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | L64 | T43-L64 WeakPolarHBondContact CA-O 3.49Å |
| 44 | I | 93.8 | Very high | 90.1 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.9 | 174.2 | -49.8 | 179.1 | 0 | 0 | 0 | 108.1 | Y12 V13 R16 V17 T42 I49 G63 L64 F66 | Y12-I44 HydrophobicContact CD1-CG2 4.47Å; Y12-I44 HydrophobicContact CE1-CG2 3.9Å; V13-I44 HydrophobicContact CB-CD1 4.24Å; V13-I44 HydrophobicContact CG1-CD1 3.87Å; V13-I44 HydrophobicContact CG2-CD1 4.16Å; R16-I44 HydrophobicContact CB-CD1 3.85Å; V17-I44 HydrophobicContact CG2-CD1 4.39Å; T42-I44 HydrophobicContact CG2-CG1 4.46Å; I44-I49 HydrophobicContact CB-CD1 4.32Å; I44-I49 HydrophobicContact CG2-CD1 3.85Å; I44-I49 HydrophobicContact CG2-CG1 3.63Å; I44-G63 CarbonylContact O-C 3.5Å; I44-G63 WeakPolarHBondContact O-CA 2.91Å; I44-L64 PolarHBondContact N-O 3.4Å; I44-L64 PolarHBondContact O-N 3.36Å; I44-F66 HydrophobicContact CD1-CD2 4.46Å; I44-F66 HydrophobicContact CD1-CE2 3.89Å; I44-F66 HydrophobicContact CG1-CE2 4.29Å |
| 45 | K | 91.1 | Very high | 89.3 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.9 | -178 | -60.4 | 178 | 173.3 | -161.7 | 0 | 110.8 | S47 D48 | K45-S47 PolarHBondContact O-N 2.72Å; K45-D48 PolarHBondContact O-N 3.15Å |
| 46 | S | 90 | Very high | 88.3 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.063 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -60.5 | -31.9 | 177 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | D48 I49 G62 G63 | S46-D48 PolarHBondContact O-N 3.13Å; S46-I49 PolarHBondContact O-N 3.04Å; S46-G62 PolarHBondContact N-O 3.3Å; S46-G62 PolarHBondContact OG-O 3.3Å; S46-G63 WeakPolarHBondContact OG-CA 3.45Å; S46-G63 PolarHBondContact OG-N 2.82Å |
| 47 | S | 88.6 | Confident | 86.7 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -62 | -25.2 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 114 | K45 | K45-S47 PolarHBondContact O-N 2.72Š|
| 48 | D | 91.8 | Very high | 84.9 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -94.7 | -17 | -172.7 | -54.4 | -12 | 0 | 0 | 0 | 111.1 | Y12 K45 S46 P50 | Y12-D48 HydrophobicContact CE1-CB 4.07Å; Y12-D48 WeakPolarHBondContact CE1-O 3.38Å; Y12-D48 VanDerWaalsContact CZ-O 3.26Å; Y12-D48 WeakPolarHBondContact OH-CB 3.28Å; K45-D48 PolarHBondContact O-N 3.15Å; S46-D48 PolarHBondContact O-N 3.13Å; D48-P50 WeakPolarHBondContact O-CD 3.36Å |
| 49 | I | 92.6 | Very high | 82.8 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 3% | 0.026 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -84.7 | 116.8 | -178.6 | -60.8 | 169.2 | 0 | 0 | 0 | 109 | A9 Y12 V13 I44 S46 G51 L52 L64 L98 | A9-I49 HydrophobicContact CB-CG2 3.89Å; Y12-I49 HydrophobicContact CD1-CG1 4.23Å; Y12-I49 HydrophobicContact CE1-CG1 4.37Å; V13-I49 HydrophobicContact CG2-CD1 4.09Å; V13-I49 HydrophobicContact CG2-CG1 4.13Å; V13-I49 HydrophobicContact CG2-CG2 4.36Å; I44-I49 HydrophobicContact CB-CD1 4.32Å; I44-I49 HydrophobicContact CG2-CD1 3.85Å; I44-I49 HydrophobicContact CG2-CG1 3.63Å; S46-I49 PolarHBondContact O-N 3.04Å; I49-G51 PolarHBondContact O-N 3.45Å; I49-L52 HydrophobicContact CB-CB 3.86Å; I49-L52 HydrophobicContact CB-CD2 4.01Å; I49-L52 HydrophobicContact CD1-CD2 3.63Å; I49-L52 HydrophobicContact CG1-CD2 4.38Å; I49-L52 HydrophobicContact CG2-CB 3.75Å; I49-L52 HydrophobicContact CG2-CD2 4.2Å; I49-L52 PolarHBondContact O-N 3.13Å; I49-L64 HydrophobicContact CD1-CD1 3.66Å; I49-L64 HydrophobicContact CD1-CG 3.72Å; I49-L98 HydrophobicContact CG2-CD2 4Å |
| 50 | P | 92 | Very high | 80.9 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 23% | 0.234 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 125.7 | -179.2 | -26.8 | 35.4 | 0 | 0 | 0 | 112.4 | K8 A9 Y12 D48 L52 | K8-P50 HydrophobicContact CD-CB 4.06Å; K8-P50 HydrophobicContact CG-CB 3.99Å; K8-P50 HydrophobicContact CG-CG 4.18Å; A9-P50 VanDerWaalsContact CB-O 3.28Å; A9-P50 WeakPolarHBondContact CB-O 3.27Å; Y12-P50 HydrophobicContact CG-CG 4.34Å; D48-P50 WeakPolarHBondContact O-CD 3.36Å; P50-L52 PolarHBondContact O-N 2.97Å; P50-L52 VanDerWaalsContact O-N 3.16Å |
| 51 | G | 87 | Confident | 79.3 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | -8.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | I49 P53 | I49-G51 PolarHBondContact O-N 3.45Å; G51-P53 VanDerWaalsContact O-CD 3.29Å; G51-P53 WeakPolarHBondContact O-CD 3.21Å |
| 52 | L | 88.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 7% | 0.073 | 37% | 0.37 | C | S | . | . | trans | -68.9 | 119.2 | 173.6 | -176.7 | 62.9 | 0 | 0 | 0 | 109 | I49 P50 F94 Q95 | I49-L52 HydrophobicContact CB-CB 3.86Å; I49-L52 HydrophobicContact CB-CD2 4.01Å; I49-L52 HydrophobicContact CD1-CD2 3.63Å; I49-L52 HydrophobicContact CG1-CD2 4.38Å; I49-L52 HydrophobicContact CG2-CB 3.75Å; I49-L52 HydrophobicContact CG2-CD2 4.2Å; I49-L52 PolarHBondContact O-N 3.13Å; P50-L52 PolarHBondContact O-N 2.97Å; P50-L52 VanDerWaalsContact O-N 3.16Å; L52-F94 HydrophobicContact CB-CD1 4.28Å; L52-F94 HydrophobicContact CB-CE1 4.09Å; L52-F94 HydrophobicContact CD1-CD1 3.61Å; L52-F94 HydrophobicContact CD1-CE1 4.15Å; L52-Q95 HydrophobicContact CD1-CB 3.98Å | ||
| 53 | P | 84.4 | Confident | 78 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | trans | -68.7 | 141.9 | -179.8 | -12.2 | 26.7 | 0 | 0 | 0 | 110.4 | F4 G51 L81 F87 Q91 F94 | F4-P53 HydrophobicContact CE1-CG 4.38Å; G51-P53 VanDerWaalsContact O-CD 3.29Å; G51-P53 WeakPolarHBondContact O-CD 3.21Å; P53-L81 HydrophobicContact CB-CD1 3.62Å; P53-L81 HydrophobicContact CG-CD1 4.08Å; P53-F87 HydrophobicContact CB-CD1 4.37Å; P53-F87 HydrophobicContact CB-CE1 4.14Å; P53-Q91 HydrophobicContact CB-CB 4.46Å; P53-Q91 HydrophobicContact CG-CB 3.89Å; P53-Q91 HydrophobicContact CG-CG 4.06Å; P53-F94 HydrophobicContact CG-CB 4.46Å | ||
| 54 | C | 77.9 | Confident | 78 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 34% | 0.338 | 33% | 0.33 | S | S | . | . | trans | -119.9 | 129.5 | -177.8 | -169.7 | 0 | 0 | 0 | 0 | 109.5 | R56 | C54-R56 PolarHBondContact O-N 2.73Š| ||
| 55 | P | 69.2 | Low | 78 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | trans | -71.4 | 117.4 | 176.9 | 23.4 | -20.7 | 0 | 0 | 0 | 109.3 | T57 I79 L81 | P55-T57 VanDerWaalsContact C-N 3.26Å; P55-T57 PolarHBondContact O-N 3.11Å; P55-I79 HydrophobicContact CG-CG2 3.74Å; P55-L81 HydrophobicContact CB-CD2 3.89Å; P55-L81 HydrophobicContact CG-CD2 3.82Å | ||
| 56 | R | 60.7 | Low | 78.3 | Confident | 248 Ų | 248 | 56.8 Ų | 56.8 | 94% | 0.936 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -73 | -20.5 | 178.9 | -75.3 | -172.3 | -104.1 | -162.5 | -3.9 | 113 | C54 | C54-R56 PolarHBondContact O-N 2.73Š|
| 57 | T | 55.5 | Low | 78.6 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 71% | 0.712 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -91.1 | -13 | -162.5 | 33.2 | 0 | 0 | 0 | 0 | 115.1 | P55 | P55-T57 VanDerWaalsContact C-N 3.26Å; P55-T57 PolarHBondContact O-N 3.11Å |
| 58 | L | 52.5 | Low | 79 | Confident | 103 Ų | 103 | 55.3 Ų | 55.3 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -109.1 | 0.1 | -168 | -78.5 | 164.4 | 0 | 0 | 0 | 115.8 | R60 | L58-R60 PolarHBondContact O-N 3.25Š|
| 59 | G | 50.6 | Low | 79.2 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 83% | 0.825 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 63.3 | -15.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q61 | G59-Q61 PolarHBondContact O-N 3.15Š|
| 60 | R | 54.9 | Low | 79.3 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | trans | -82.5 | 111.1 | 174.5 | -66.2 | -177.3 | 164.1 | -147.2 | -5.7 | 108.5 | E32 L58 G62 I79 | E32-R60 VanDerWaalsContact CD-NH1 3.3Å; E32-R60 IonicContact OE1-CZ 2.74Å; E32-R60 IonicContact OE1-NH1 2.91Å; E32-R60 PolarHBondContact OE1-NH1 3.36Å; E32-R60 IonicContact OE1-NH2 3.51Å; E32-R60 PolarHBondContact OE1-NH2 2.84Å; E32-R60 IonicContact OE2-CZ 2.84Å; E32-R60 IonicContact OE2-NH1 3.29Å; E32-R60 PolarHBondContact OE2-NH1 2.95Å; L58-R60 PolarHBondContact O-N 3.25Å; R60-G62 PolarHBondContact O-N 2.85Å; R60-I79 HydrophobicContact CB-CD1 3.47Å; R60-I79 VanDerWaalsContact CB-CD1 3.47Å; R60-I79 WeakPolarHBondContact O-CD1 3.3Å | ||
| 61 | Q | 61.2 | Low | 79.4 | Confident | 132 Ų | 132 | 61.7 Ų | 61.7 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | trans | -67.4 | 88.5 | 167.1 | -71.1 | -162.3 | -13 | 0 | 0 | 107.4 | G59 | G59-Q61 PolarHBondContact O-N 3.15Š| ||
| 62 | G | 76.5 | Confident | 79.9 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | trans | -55.9 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S46 R60 I79 | S46-G62 PolarHBondContact N-O 3.3Å; S46-G62 PolarHBondContact OG-O 3.3Å; R60-G62 PolarHBondContact O-N 2.85Å; G62-I79 VanDerWaalsContact CA-CD1 3.41Å | ||
| 63 | G | 86.6 | Confident | 80.4 | Confident | 7 Ų | 7 | 62.3 Ų | 62.3 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.5 | -174.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I44 S46 | I44-G63 CarbonylContact O-C 3.5Å; I44-G63 WeakPolarHBondContact O-CA 2.91Å; S46-G63 WeakPolarHBondContact OG-CA 3.45Å; S46-G63 PolarHBondContact OG-N 2.82Å |
| 64 | L | 92.6 | Very high | 81 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117 | 167.4 | -55.8 | -176 | 0 | 0 | 0 | 107.7 | V13 T43 I44 I49 F66 V75 M77 L98 | V13-L64 HydrophobicContact CG1-CD1 4.34Å; V13-L64 HydrophobicContact CG2-CD1 3.97Å; T43-L64 WeakPolarHBondContact CA-O 3.49Å; I44-L64 PolarHBondContact N-O 3.4Å; I44-L64 PolarHBondContact O-N 3.36Å; I49-L64 HydrophobicContact CD1-CD1 3.66Å; I49-L64 HydrophobicContact CD1-CG 3.72Å; L64-F66 HydrophobicContact CB-CD2 4.11Å; L64-F66 HydrophobicContact CB-CE2 3.38Å; L64-F66 HydrophobicContact CB-CZ 3.95Å; L64-F66 HydrophobicContact CD1-CE2 4Å; L64-F66 HydrophobicContact CD1-CZ 3.89Å; L64-F66 HydrophobicContact CG-CE2 4.34Å; L64-V75 HydrophobicContact CB-CG2 4.05Å; L64-V75 HydrophobicContact CD2-CG2 4.38Å; L64-M77 HydrophobicContact CD2-CE 3.67Å; L64-M77 HydrophobicContact CD2-CG 3.34Å; L64-M77 HydrophobicContact CD2-SD 3.32Å; L64-M77 WeakPolarHBondContact CD2-SD 3.45Å; L64-L98 HydrophobicContact CD1-CD2 4.05Å |
| 65 | L | 93.9 | Very high | 81.9 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 17% | 0.173 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 111.5 | 173.1 | -175.3 | 139.7 | 0 | 0 | 0 | 108.8 | A35 M38 V75 I76 | A35-L65 HydrophobicContact CB-CD1 3.48Å; A35-L65 VanDerWaalsContact CB-CD1 3.48Å; A35-L65 HydrophobicContact CB-CD2 3.54Å; A35-L65 HydrophobicContact CB-CG 4.16Å; M38-L65 HydrophobicContact CE-CD2 3.78Å; M38-L65 HydrophobicContact SD-CD2 3.66Å; L65-V75 CarbonylContact O-C 3.58Å; L65-V75 VanDerWaalsContact O-CA 3.29Å; L65-V75 WeakPolarHBondContact O-CA 3.3Å; L65-I76 HydrophobicContact CB-CB 4.41Å; L65-I76 HydrophobicContact CD2-CB 4.43Å; L65-I76 HydrophobicContact CD2-CD1 4.45Å; L65-I76 HydrophobicContact CD2-CG1 4.49Å; L65-I76 PolarHBondContact N-O 3.4Å; L65-I76 PolarHBondContact O-N 2.93Å |
| 66 | F | 96.4 | Very high | 83.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 149.4 | 176 | -62.1 | -95.5 | 0 | 0 | 0 | 109.9 | V13 V17 P21 C41 T42 I44 L64 L73 T74 V75 L102 | V13-F66 HydrophobicContact CG1-CE2 4.08Å; V13-F66 HydrophobicContact CG1-CZ 3.65Å; V17-F66 HydrophobicContact CB-CD1 4.35Å; V17-F66 HydrophobicContact CB-CE1 4.45Å; V17-F66 HydrophobicContact CB-CG 4.42Å; V17-F66 HydrophobicContact CG1-CB 4.49Å; V17-F66 HydrophobicContact CG1-CD1 3.81Å; V17-F66 HydrophobicContact CG1-CE1 4.17Å; V17-F66 HydrophobicContact CG1-CG 4.13Å; V17-F66 HydrophobicContact CG2-CB 4.22Å; V17-F66 HydrophobicContact CG2-CD1 4.26Å; V17-F66 HydrophobicContact CG2-CD2 3.77Å; V17-F66 HydrophobicContact CG2-CE2 4.13Å; V17-F66 HydrophobicContact CG2-CG 3.84Å; P21-F66 HydrophobicContact CG-CD1 4.05Å; P21-F66 HydrophobicContact CG-CE1 3.79Å; C41-F66 CarbonylContact C-O 3.57Å; C41-F66 WeakPolarHBondContact CA-O 3.48Å; T42-F66 PolarHBondContact N-O 3.49Å; T42-F66 PolarHBondContact O-N 3.16Å; I44-F66 HydrophobicContact CD1-CD2 4.46Å; I44-F66 HydrophobicContact CD1-CE2 3.89Å; I44-F66 HydrophobicContact CG1-CE2 4.29Å; L64-F66 HydrophobicContact CB-CD2 4.11Å; L64-F66 HydrophobicContact CB-CE2 3.38Å; L64-F66 HydrophobicContact CB-CZ 3.95Å; L64-F66 HydrophobicContact CD1-CE2 4Å; L64-F66 HydrophobicContact CD1-CZ 3.89Å; L64-F66 HydrophobicContact CG-CE2 4.34Å; F66-L73 HydrophobicContact CB-CD1 4.36Å; F66-T74 WeakPolarHBondContact CA-O 3.45Å; F66-V75 HydrophobicContact CD1-CB 3.7Å; F66-V75 HydrophobicContact CD1-CG2 3.84Å; F66-V75 HydrophobicContact CD2-CG2 4.34Å; F66-V75 HydrophobicContact CE1-CB 3.67Å; F66-V75 HydrophobicContact CE1-CG1 4.43Å; F66-V75 HydrophobicContact CE1-CG2 3.57Å; F66-V75 HydrophobicContact CE2-CG2 4.11Å; F66-V75 HydrophobicContact CG-CB 4.39Å; F66-V75 HydrophobicContact CG-CG2 4.22Å; F66-V75 HydrophobicContact CZ-CB 4.33Å; F66-V75 HydrophobicContact CZ-CG2 3.71Å; F66-L102 HydrophobicContact CZ-CD1 4.27Å |
| 67 | G | 96.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | M38 D39 T74 | M38-G67 VanDerWaalsContact CE-O 3.29Å; M38-G67 WeakPolarHBondContact CE-O 3.46Å; D39-G67 CarbonylContact O-C 3.53Å; D39-G67 WeakPolarHBondContact O-CA 3.5Å; G67-T74 PolarHBondContact N-O 3.25Å; G67-T74 PolarHBondContact O-N 2.98Å |
| 68 | Y | 97.6 | Very high | 85.7 | Confident | 51 Ų | 51 | 43.7 Ų | 43.7 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130.1 | -174.6 | -65.6 | -98.8 | 0 | 0 | 0 | 110.9 | E19 M38 D39 K40 K72 L73 | E19-Y68 PolarHBondContact OE2-OH 3.49Å; M38-Y68 WeakPolarHBondContact CA-O 3.42Å; D39-Y68 PolarHBondContact N-O 3.38Å; D39-Y68 PolarHBondContact O-N 2.93Å; K40-Y68 HydrophobicContact CB-CD2 3.97Å; K40-Y68 HydrophobicContact CB-CE2 4.14Å; K40-Y68 HydrophobicContact CD-CD2 4.19Å; K40-Y68 HydrophobicContact CD-CE2 4.08Å; Y68-K72 WeakPolarHBondContact CA-O 3.34Å; Y68-L73 HydrophobicContact CD1-CB 4.21Å; Y68-L73 HydrophobicContact CD2-CD1 4.37Å; Y68-L73 HydrophobicContact CE1-CB 3.89Å; Y68-L73 HydrophobicContact CE1-CD1 4.47Å; Y68-L73 HydrophobicContact CE2-CD1 4.09Å |
| 69 | L | 95.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 105.2 | 159.8 | -68.8 | 172.2 | 0 | 0 | 0 | 106.9 | L34 Q37 M38 K71 K72 T74 E269 I272 | L34-L69 HydrophobicContact CD1-CD1 4.36Å; L34-L69 HydrophobicContact CD1-CD2 4.48Å; L34-L69 HydrophobicContact CD2-CD1 3.94Å; L34-L69 HydrophobicContact CG-CD1 4.16Å; Q37-L69 HydrophobicContact CB-CD2 4.12Å; M38-L69 HydrophobicContact CG-CD1 4.46Å; M38-L69 HydrophobicContact CG-CD2 3.57Å; M38-L69 HydrophobicContact CG-CG 3.77Å; L69-K71 PolarHBondContact O-N 3.4Å; L69-K71 VanDerWaalsContact O-N 3.16Å; L69-K72 PolarHBondContact N-O 2.85Å; L69-K72 PolarHBondContact O-N 3.07Å; L69-K72 VanDerWaalsContact O-N 3.08Å; L69-T74 HydrophobicContact CD1-CG2 4.41Å; L69-E269 HydrophobicContact CD2-CG 4.23Å; L69-I272 HydrophobicContact CB-CG2 3.88Å; L69-I272 HydrophobicContact CD1-CB 4.2Å; L69-I272 HydrophobicContact CD1-CD1 3.56Å; L69-I272 HydrophobicContact CD1-CG1 4.48Å; L69-I272 HydrophobicContact CD1-CG2 4.07Å |
| 70 | G | 94.2 | Very high | 88.8 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 49% | 0.485 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -115.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 71 | K | 95.8 | Very high | 90.3 | Very high | 200 Ų | 200 | 30.4 Ų | 30.4 | 87% | 0.87 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.2 | 178.8 | -64.3 | -175.8 | -179.4 | 179.1 | 0 | 113.7 | L69 | L69-K71 PolarHBondContact O-N 3.4Å; L69-K71 VanDerWaalsContact O-N 3.16Å |
| 72 | K | 97.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 25.4 Ų | 25.4 | 26% | 0.261 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 110.2 | -172.3 | -58.1 | -66 | 179.4 | 155.6 | 0 | 109.8 | A22 Y68 L69 T74 I272 L275 | A22-K72 HydrophobicContact CB-CB 4.27Å; A22-K72 HydrophobicContact CB-CD 4.08Å; Y68-K72 WeakPolarHBondContact CA-O 3.34Å; L69-K72 PolarHBondContact N-O 2.85Å; L69-K72 PolarHBondContact O-N 3.07Å; L69-K72 VanDerWaalsContact O-N 3.08Å; K72-T74 PolarHBondContact O-N 3.43Å; K72-T74 PolarHBondContact O-OG1 2.95Å; K72-I272 HydrophobicContact CB-CG2 3.97Å; K72-I272 HydrophobicContact CG-CG2 4.44Å; K72-L275 WeakPolarHBondContact CE-OXT 3.17Å; K72-L275 PolarHBondContact NZ-O 3.49Å; K72-L275 PolarHBondContact NZ-OXT 3.49Å |
| 73 | L | 98.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 121.9 | 167.4 | -179 | 62.9 | 0 | 0 | 0 | 108.7 | V17 E19 P21 A22 F66 Y68 | V17-L73 HydrophobicContact CG1-CD2 4.04Å; E19-L73 HydrophobicContact CB-CD2 3.73Å; E19-L73 HydrophobicContact CG-CD2 3.8Å; E19-L73 WeakPolarHBondContact O-CD2 3.29Å; P21-L73 CarbonylContact C-O 3.46Å; P21-L73 WeakPolarHBondContact CA-O 3.39Å; P21-L73 HydrophobicContact CB-CD2 4.47Å; P21-L73 HydrophobicContact CB-CG 4.2Å; P21-L73 HydrophobicContact CG-CD2 4.26Å; P21-L73 HydrophobicContact CG-CG 4.4Å; A22-L73 PolarHBondContact N-O 3.43Å; F66-L73 HydrophobicContact CB-CD1 4.36Å; Y68-L73 HydrophobicContact CD1-CB 4.21Å; Y68-L73 HydrophobicContact CD2-CD1 4.37Å; Y68-L73 HydrophobicContact CE1-CB 3.89Å; Y68-L73 HydrophobicContact CE1-CD1 4.47Å; Y68-L73 HydrophobicContact CE2-CD1 4.09Å |
| 74 | T | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.6 | -176 | -62.9 | 0 | 0 | 0 | 0 | 108.3 | I23 I25 M38 F66 G67 L69 K72 I76 I272 | I23-T74 HydrophobicContact CG2-CG2 4.03Å; I25-T74 HydrophobicContact CD1-CG2 3.86Å; I25-T74 HydrophobicContact CG1-CG2 4.06Å; M38-T74 HydrophobicContact CE-CG2 4.39Å; M38-T74 WeakPolarHBondContact CE-O 3.33Å; F66-T74 WeakPolarHBondContact CA-O 3.45Å; G67-T74 PolarHBondContact N-O 3.25Å; G67-T74 PolarHBondContact O-N 2.98Å; L69-T74 HydrophobicContact CD1-CG2 4.41Å; K72-T74 PolarHBondContact O-N 3.43Å; K72-T74 PolarHBondContact O-OG1 2.95Å; T74-I76 HydrophobicContact CG2-CG1 4.2Å; T74-I272 HydrophobicContact CG2-CD1 4.17Å |
| 75 | V | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.7 | 171.1 | 59.9 | 0 | 0 | 0 | 0 | 110.1 | P21 I23 A24 I25 L64 L65 F66 L99 V104 | P21-V75 HydrophobicContact CB-CB 4.45Å; P21-V75 HydrophobicContact CB-CG1 4.08Å; P21-V75 HydrophobicContact CG-CB 4.39Å; P21-V75 HydrophobicContact CG-CG1 4.17Å; I23-V75 PolarHBondContact O-N 3.16Å; I23-V75 VanDerWaalsContact O-N 3.1Å; A24-V75 CarbonylContact C-O 3.49Å; A24-V75 VanDerWaalsContact CA-O 3.27Å; A24-V75 WeakPolarHBondContact CA-O 3.47Å; A24-V75 HydrophobicContact CB-CG1 3.58Å; I25-V75 PolarHBondContact N-O 3.39Å; L64-V75 HydrophobicContact CB-CG2 4.05Å; L64-V75 HydrophobicContact CD2-CG2 4.38Å; L65-V75 CarbonylContact O-C 3.58Å; L65-V75 VanDerWaalsContact O-CA 3.29Å; L65-V75 WeakPolarHBondContact O-CA 3.3Å; F66-V75 HydrophobicContact CD1-CB 3.7Å; F66-V75 HydrophobicContact CD1-CG2 3.84Å; F66-V75 HydrophobicContact CD2-CG2 4.34Å; F66-V75 HydrophobicContact CE1-CB 3.67Å; F66-V75 HydrophobicContact CE1-CG1 4.43Å; F66-V75 HydrophobicContact CE1-CG2 3.57Å; F66-V75 HydrophobicContact CE2-CG2 4.11Å; F66-V75 HydrophobicContact CG-CB 4.39Å; F66-V75 HydrophobicContact CG-CG2 4.22Å; F66-V75 HydrophobicContact CZ-CB 4.33Å; F66-V75 HydrophobicContact CZ-CG2 3.71Å; V75-L99 HydrophobicContact CB-CD2 4.48Å; V75-L99 HydrophobicContact CG1-CD2 3.43Å; V75-L99 VanDerWaalsContact CG1-CD2 3.43Å; V75-L99 HydrophobicContact CG2-CD2 4.26Å; V75-V104 HydrophobicContact CG1-CG2 4.38Å |
| 76 | I | 94.5 | Very high | 92 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 131.3 | 177.8 | -53.3 | -171.8 | 0 | 0 | 0 | 108.9 | I25 L34 M38 L65 T74 | I25-I76 HydrophobicContact CB-CG1 4.32Å; I25-I76 HydrophobicContact CD1-CD1 4.17Å; I25-I76 HydrophobicContact CD1-CG1 4.04Å; I25-I76 HydrophobicContact CG1-CG1 4.47Å; L34-I76 HydrophobicContact CB-CD1 3.83Å; L34-I76 HydrophobicContact CD2-CD1 3.93Å; L34-I76 HydrophobicContact CG-CD1 4.06Å; M38-I76 HydrophobicContact CE-CD1 4.44Å; M38-I76 HydrophobicContact CE-CG1 4.41Å; M38-I76 HydrophobicContact SD-CD1 3.41Å; M38-I76 WeakPolarHBondContact SD-CD1 3.46Å; M38-I76 HydrophobicContact SD-CG1 3.98Å; L65-I76 HydrophobicContact CB-CB 4.41Å; L65-I76 HydrophobicContact CD2-CB 4.43Å; L65-I76 HydrophobicContact CD2-CD1 4.45Å; L65-I76 HydrophobicContact CD2-CG1 4.49Å; L65-I76 PolarHBondContact N-O 3.4Å; L65-I76 PolarHBondContact O-N 2.93Å; T74-I76 HydrophobicContact CG2-CG1 4.2Å |
| 77 | M | 91.2 | Very high | 91.7 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.034 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 99.4 | 168.3 | -73.6 | -164.8 | 76.7 | 0 | 0 | 108.9 | I25 L26 S27 L64 I79 Q95 L99 | I25-M77 PolarHBondContact O-N 3Å; L26-M77 HydrophobicContact CD1-CB 4.31Å; L26-M77 HydrophobicContact CG-CB 4.18Å; S27-M77 PolarHBondContact N-O 3.16Å; L64-M77 HydrophobicContact CD2-CE 3.67Å; L64-M77 HydrophobicContact CD2-CG 3.34Å; L64-M77 HydrophobicContact CD2-SD 3.32Å; L64-M77 WeakPolarHBondContact CD2-SD 3.45Å; M77-I79 PolarHBondContact O-N 3.38Å; M77-Q95 HydrophobicContact CE-CB 3.55Å; M77-Q95 HydrophobicContact CE-CG 3.81Å; M77-Q95 HydrophobicContact SD-CB 3.5Å; M77-Q95 WeakPolarHBondContact SD-CB 3.45Å; M77-Q95 HydrophobicContact SD-CG 3.61Å; M77-L99 HydrophobicContact SD-CD1 4.28Å |
| 78 | P | 78.9 | Confident | 91.5 | Very high | 37 Ų | 37 | 39.8 Ų | 39.8 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | trans | -76.9 | -13.8 | -175.6 | 31.1 | -35.4 | 0 | 0 | 0 | 112.9 | E32 | E32-P78 HydrophobicContact CB-CB 3.92Š| ||
| 79 | I | 81.3 | Confident | 91.2 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.138 | 22% | 0.218 | C | C | . | . | trans | -121.6 | 128.9 | -179.6 | -53.2 | -173.6 | 0 | 0 | 0 | 109.3 | P55 R60 G62 M77 | P55-I79 HydrophobicContact CG-CG2 3.74Å; R60-I79 HydrophobicContact CB-CD1 3.47Å; R60-I79 VanDerWaalsContact CB-CD1 3.47Å; R60-I79 WeakPolarHBondContact O-CD1 3.3Å; G62-I79 VanDerWaalsContact CA-CD1 3.41Å; M77-I79 PolarHBondContact O-N 3.38Å | ||
| 80 | R | 86.3 | Confident | 91 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -114.7 | 153.5 | 175.7 | -61.9 | 171.8 | 63.6 | -152.5 | -15.3 | 109.1 | L26 D216 E220 | L26-R80 HydrophobicContact CB-CG 4.36Å; R80-D216 IonicContact CZ-OD2 2.7Å; R80-D216 IonicContact NH1-OD2 3.51Å; R80-D216 PolarHBondContact NH1-OD2 3.31Å; R80-D216 IonicContact NH2-OD2 3.6Å; R80-E220 IonicContact CZ-OE1 2.76Å; R80-E220 VanDerWaalsContact CZ-OE1 3.27Å; R80-E220 IonicContact NE-OE1 3.64Å; R80-E220 PolarHBondContact NE-OE1 3.33Å; R80-E220 IonicContact NH2-OE1 3.8Å; R80-E220 PolarHBondContact NH2-OE1 2.91Å; R80-E220 IonicContact NH2-OE2 2.92Å; R80-E220 PolarHBondContact NH2-OE2 3.39Å | ||
| 81 | L | 88.1 | Confident | 90.9 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | trans | -105 | 136.8 | 179 | -61 | 175.8 | 0 | 0 | 0 | 108.7 | P53 P55 F87 C92 | P53-L81 HydrophobicContact CB-CD1 3.62Å; P53-L81 HydrophobicContact CG-CD1 4.08Å; P55-L81 HydrophobicContact CB-CD2 3.89Å; P55-L81 HydrophobicContact CG-CD2 3.82Å; L81-F87 HydrophobicContact CB-CD2 4.2Å; L81-F87 HydrophobicContact CB-CG 4.47Å; L81-F87 HydrophobicContact CD1-CD1 4.48Å; L81-F87 HydrophobicContact CD2-CD2 4.16Å; L81-F87 HydrophobicContact CD2-CE2 3.76Å; L81-F87 HydrophobicContact CD2-CZ 3.98Å; L81-C92 HydrophobicContact CB-CB 4.47Å; L81-C92 WeakPolarHBondContact O-CB 3.37Å; L81-C92 PolarHBondContact O-SG 3.23Å | ||
| 82 | H | 89.2 | Confident | 90.7 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | trans | -115.4 | 145.4 | -178.9 | -48.5 | 86.1 | 0 | 0 | 0 | 111.4 | Y84 E85 | H82-Y84 HydrophobicContact CB-CD1 3.7Å; H82-Y84 HydrophobicContact CB-CD2 3.98Å; H82-Y84 HydrophobicContact CB-CE1 3.33Å; H82-Y84 HydrophobicContact CB-CE2 3.62Å; H82-Y84 HydrophobicContact CB-CG 4.01Å; H82-Y84 AromaticContact CD2-CE1 3.89Å; H82-Y84 AromaticContact CD2-CZ 3.82Å; H82-Y84 PolarHBondContact CD2-OH 3.14Å; H82-Y84 AromaticContact CG-CE1 3.65Å; H82-Y84 AromaticContact CG-CE2 3.97Å; H82-Y84 AromaticContact CG-CZ 3.33Å; H82-Y84 AromaticContact ND1-CZ 3.82Å; H82-Y84 PolarHBondContact ND1-OH 3.03Å; H82-Y84 PolarHBondContact O-N 3.1Å; H82-E85 HydrophobicContact CB-CG 4.21Å; H82-E85 WeakPolarHBondContact CB-OE2 3.44Å; H82-E85 IonicContact CG-OE2 3.21Å; H82-E85 PolarHBondContact N-OE2 2.84Å; H82-E85 IonicContact ND1-OE2 2.69Å; H82-E85 PolarHBondContact ND1-OE2 3.31Å; H82-E85 WeakPolarHBondContact O-CB 3.26Å; H82-E85 PolarHBondContact O-N 3.06Å | ||
| 83 | S | 90.1 | Very high | 90.5 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 28% | 0.28 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -62.8 | -30.7 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | E85 G86 F87 C92 | S83-E85 PolarHBondContact O-N 2.89Å; S83-G86 PolarHBondContact O-N 2.97Å; S83-F87 WeakPolarHBondContact CA-O 3.16Å; S83-C92 PolarHBondContact N-SG 3.4Å |
| 84 | Y | 89.2 | Confident | 90.2 | Very high | 87 Ų | 87 | 27.2 Ų | 27.2 | 34% | 0.341 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -68.2 | -13.1 | 175.4 | 58.1 | -109.5 | 0 | 0 | 0 | 114 | H82 G86 G192 P194 M215 | H82-Y84 HydrophobicContact CB-CD1 3.7Å; H82-Y84 HydrophobicContact CB-CD2 3.98Å; H82-Y84 HydrophobicContact CB-CE1 3.33Å; H82-Y84 HydrophobicContact CB-CE2 3.62Å; H82-Y84 HydrophobicContact CB-CG 4.01Å; H82-Y84 AromaticContact CD2-CE1 3.89Å; H82-Y84 AromaticContact CD2-CZ 3.82Å; H82-Y84 PolarHBondContact CD2-OH 3.14Å; H82-Y84 AromaticContact CG-CE1 3.65Å; H82-Y84 AromaticContact CG-CE2 3.97Å; H82-Y84 AromaticContact CG-CZ 3.33Å; H82-Y84 AromaticContact ND1-CZ 3.82Å; H82-Y84 PolarHBondContact ND1-OH 3.03Å; H82-Y84 PolarHBondContact O-N 3.1Å; Y84-G86 PolarHBondContact O-N 3.22Å; Y84-G192 WeakPolarHBondContact CB-O 3.22Å; Y84-P194 HydrophobicContact CD2-CB 4.14Å; Y84-P194 HydrophobicContact CG-CB 4.06Å; Y84-M215 HydrophobicContact CD1-CB 4.05Å; Y84-M215 HydrophobicContact CD1-SD 4.42Å; Y84-M215 HydrophobicContact CE1-CB 3.61Å; Y84-M215 HydrophobicContact CE1-SD 4.27Å |
| 85 | E | 88.7 | Confident | 90 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 28% | 0.28 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -84.1 | 3.9 | 172.1 | -59.6 | 175.7 | 90.4 | 0 | 0 | 112.2 | H82 S83 F87 | H82-E85 HydrophobicContact CB-CG 4.21Å; H82-E85 WeakPolarHBondContact CB-OE2 3.44Å; H82-E85 IonicContact CG-OE2 3.21Å; H82-E85 PolarHBondContact N-OE2 2.84Å; H82-E85 IonicContact ND1-OE2 2.69Å; H82-E85 PolarHBondContact ND1-OE2 3.31Å; H82-E85 WeakPolarHBondContact O-CB 3.26Å; H82-E85 PolarHBondContact O-N 3.06Å; S83-E85 PolarHBondContact O-N 2.89Å; E85-F87 HydrophobicContact CB-CD2 3.87Å; E85-F87 HydrophobicContact CB-CE2 4.07Å |
| 86 | G | 88.8 | Confident | 89.9 | Confident | 67 Ų | 67 | 27.4 Ų | 27.4 | 69% | 0.691 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | 3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S83 Y84 | S83-G86 PolarHBondContact O-N 2.97Å; Y84-G86 PolarHBondContact O-N 3.22Å |
| 87 | F | 89.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 28.3 Ų | 28.3 | 18% | 0.175 | 16% | 0.16 | C | C | . | . | trans | -76.1 | 144.2 | 170.2 | -65.2 | -76 | 0 | 0 | 0 | 110.6 | P53 L81 S83 E85 Q91 C92 | P53-F87 HydrophobicContact CB-CD1 4.37Å; P53-F87 HydrophobicContact CB-CE1 4.14Å; L81-F87 HydrophobicContact CB-CD2 4.2Å; L81-F87 HydrophobicContact CB-CG 4.47Å; L81-F87 HydrophobicContact CD1-CD1 4.48Å; L81-F87 HydrophobicContact CD2-CD2 4.16Å; L81-F87 HydrophobicContact CD2-CE2 3.76Å; L81-F87 HydrophobicContact CD2-CZ 3.98Å; S83-F87 WeakPolarHBondContact CA-O 3.16Å; E85-F87 HydrophobicContact CB-CD2 3.87Å; E85-F87 HydrophobicContact CB-CE2 4.07Å; F87-Q91 HydrophobicContact CB-CB 4.06Å; F87-Q91 HydrophobicContact CD1-CB 4.13Å; F87-C92 VanDerWaalsContact CB-SG 3.53Å | ||
| 88 | T | 91.4 | Very high | 90 | Very high | 58 Ų | 58 | 28 Ų | 28 | 36% | 0.356 | 16% | 0.159 | S | C | . | . | trans | -70.2 | 152.8 | 169.3 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | Q90 Q91 C92 | T88-Q90 PolarHBondContact O-N 3.46Å; T88-Q90 VanDerWaalsContact O-N 3.08Å; T88-Q91 WeakPolarHBondContact O-CA 3.27Å; T88-Q91 WeakPolarHBondContact O-CB 3.34Å; T88-Q91 PolarHBondContact O-N 3.32Å; T88-Q91 VanDerWaalsContact OG1-CG 3.28Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.4Å; T88-Q91 PolarHBondContact OG1-N 2.79Å; T88-Q91 PolarHBondContact OG1-OE1 3.21Å; T88-C92 PolarHBondContact O-N 3.21Å | ||
| 89 | P | 92 | Very high | 90.8 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -54.2 | -31.5 | 174.6 | -28.9 | 36.9 | 0 | 0 | 0 | 113.4 | C92 T93 A142 | P89-C92 PolarHBondContact O-N 3.05Å; P89-T93 WeakPolarHBondContact O-CB 3.36Å; P89-T93 WeakPolarHBondContact O-CG2 3.14Å; P89-T93 PolarHBondContact O-N 2.9Å; P89-T93 PolarHBondContact O-OG1 2.81Å; P89-A142 HydrophobicContact CB-CB 3.78Å; P89-A142 WeakPolarHBondContact O-CB 3.42Å |
| 90 | Q | 90.9 | Very high | 91.5 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 174.7 | -66.2 | 77.6 | 5.6 | 0 | 0 | 112.3 | T88 T93 F94 S141 V144 | T88-Q90 PolarHBondContact O-N 3.46Å; T88-Q90 VanDerWaalsContact O-N 3.08Å; Q90-T93 PolarHBondContact O-N 3.43Å; Q90-T93 PolarHBondContact O-OG1 2.82Å; Q90-F94 PolarHBondContact O-N 3.25Å; Q90-S141 PolarHBondContact NE2-O 2.86Å; Q90-V144 PolarHBondContact NE2-O 3.16Å |
| 91 | Q | 91.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 173.2 | -75 | 166.1 | -46.7 | 0 | 0 | 111 | F4 P53 F87 T88 T93 F94 | F4-Q91 HydrophobicContact CE1-CG 3.54Å; F4-Q91 HydrophobicContact CE2-CG 4.4Å; F4-Q91 HydrophobicContact CZ-CB 4.48Å; F4-Q91 HydrophobicContact CZ-CG 3.28Å; P53-Q91 HydrophobicContact CB-CB 4.46Å; P53-Q91 HydrophobicContact CG-CB 3.89Å; P53-Q91 HydrophobicContact CG-CG 4.06Å; F87-Q91 HydrophobicContact CB-CB 4.06Å; F87-Q91 HydrophobicContact CD1-CB 4.13Å; T88-Q91 WeakPolarHBondContact O-CA 3.27Å; T88-Q91 WeakPolarHBondContact O-CB 3.34Å; T88-Q91 PolarHBondContact O-N 3.32Å; T88-Q91 VanDerWaalsContact OG1-CG 3.28Å; T88-Q91 WeakPolarHBondContact OG1-CG 3.4Å; T88-Q91 PolarHBondContact OG1-N 2.79Å; T88-Q91 PolarHBondContact OG1-OE1 3.21Å; Q91-T93 PolarHBondContact O-N 3.5Å; Q91-T93 VanDerWaalsContact O-N 3.1Å; Q91-F94 WeakPolarHBondContact O-CB 3.42Å; Q91-F94 PolarHBondContact O-N 2.88Å |
| 92 | C | 91.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.4 | -18.6 | 178.5 | -67.3 | 0 | 0 | 0 | 0 | 114.2 | L81 S83 F87 T88 P89 Q95 | L81-C92 HydrophobicContact CB-CB 4.47Å; L81-C92 WeakPolarHBondContact O-CB 3.37Å; L81-C92 PolarHBondContact O-SG 3.23Å; S83-C92 PolarHBondContact N-SG 3.4Å; F87-C92 VanDerWaalsContact CB-SG 3.53Å; T88-C92 PolarHBondContact O-N 3.21Å; P89-C92 PolarHBondContact O-N 3.05Å; C92-Q95 VanDerWaalsContact O-CD 3.26Å; C92-Q95 PolarHBondContact O-NE2 3.34Å; C92-Q95 PolarHBondContact O-OE1 2.9Å |
| 93 | T | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 6.5 | -177.2 | 55.5 | 0 | 0 | 0 | 0 | 113 | P89 Q90 Q91 Q95 V96 R97 A142 D219 E220 V223 | P89-T93 WeakPolarHBondContact O-CB 3.36Å; P89-T93 WeakPolarHBondContact O-CG2 3.14Å; P89-T93 PolarHBondContact O-N 2.9Å; P89-T93 PolarHBondContact O-OG1 2.81Å; Q90-T93 PolarHBondContact O-N 3.43Å; Q90-T93 PolarHBondContact O-OG1 2.82Å; Q91-T93 PolarHBondContact O-N 3.5Å; Q91-T93 VanDerWaalsContact O-N 3.1Å; T93-Q95 PolarHBondContact O-N 3.47Å; T93-V96 PolarHBondContact O-N 2.94Å; T93-V96 VanDerWaalsContact O-N 3.14Å; T93-R97 PolarHBondContact O-N 3.29Å; T93-R97 PolarHBondContact OG1-NH1 2.99Å; T93-A142 HydrophobicContact CG2-CB 3.88Å; T93-A142 WeakPolarHBondContact OG1-CB 3.45Å; T93-D219 HydrophobicContact CG2-CB 3.64Å; T93-D219 WeakPolarHBondContact CG2-O 3.38Å; T93-E220 HydrophobicContact CG2-CG 4.44Å; T93-V223 HydrophobicContact CG2-CB 4.24Å; T93-V223 HydrophobicContact CG2-CG2 3.72Å |
| 94 | F | 92.7 | Very high | 93 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 178.9 | 178.9 | -90.1 | 0 | 0 | 0 | 111 | F4 V6 A9 L52 P53 Q90 Q91 V96 R97 L98 | F4-F94 HydrophobicContact CB-CD2 3.73Å; F4-F94 HydrophobicContact CB-CE2 3.71Å; F4-F94 AromaticContact CD1-CD2 3.55Å; F4-F94 HydrophobicContact CD1-CD2 3.55Å; F4-F94 HydrophobicContact CD1-CE2 4.03Å; F4-F94 HydrophobicContact CD1-CG 4.32Å; F4-F94 AromaticContact CG-CD2 3.99Å; F4-F94 HydrophobicContact CG-CD2 3.99Å; F4-F94 HydrophobicContact CG-CE2 4.35Å; V6-F94 HydrophobicContact CG2-CD2 4.07Å; V6-F94 HydrophobicContact CG2-CE2 3.56Å; V6-F94 HydrophobicContact CG2-CZ 4.09Å; A9-F94 HydrophobicContact CB-CE1 4.05Å; A9-F94 HydrophobicContact CB-CZ 3.86Å; L52-F94 HydrophobicContact CB-CD1 4.28Å; L52-F94 HydrophobicContact CB-CE1 4.09Å; L52-F94 HydrophobicContact CD1-CD1 3.61Å; L52-F94 HydrophobicContact CD1-CE1 4.15Å; P53-F94 HydrophobicContact CG-CB 4.46Å; Q90-F94 PolarHBondContact O-N 3.25Å; Q91-F94 WeakPolarHBondContact O-CB 3.42Å; Q91-F94 PolarHBondContact O-N 2.88Å; F94-V96 VanDerWaalsContact C-N 3.25Å; F94-V96 PolarHBondContact O-N 3.32Å; F94-R97 WeakPolarHBondContact O-CB 3.29Å; F94-R97 PolarHBondContact O-N 3.05Å; F94-R97 VanDerWaalsContact O-N 3.1Å; F94-L98 HydrophobicContact CE1-CB 4.44Å; F94-L98 PolarHBondContact O-N 3.4Å |
| 95 | Q | 93.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 179.5 | 72.5 | -79.2 | 13.5 | 0 | 0 | 113 | L26 L52 M77 C92 T93 R97 L98 L99 | L26-Q95 HydrophobicContact CD2-CG 4.15Å; L52-Q95 HydrophobicContact CD1-CB 3.98Å; M77-Q95 HydrophobicContact CE-CB 3.55Å; M77-Q95 HydrophobicContact CE-CG 3.81Å; M77-Q95 HydrophobicContact SD-CB 3.5Å; M77-Q95 WeakPolarHBondContact SD-CB 3.45Å; M77-Q95 HydrophobicContact SD-CG 3.61Å; C92-Q95 VanDerWaalsContact O-CD 3.26Å; C92-Q95 PolarHBondContact O-NE2 3.34Å; C92-Q95 PolarHBondContact O-OE1 2.9Å; T93-Q95 PolarHBondContact O-N 3.47Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 3.45Å; Q95-L98 WeakPolarHBondContact O-CB 3.36Å; Q95-L98 PolarHBondContact O-N 3.1Å; Q95-L99 WeakPolarHBondContact O-CB 3.36Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.98Å |
| 96 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 177.1 | -177 | 0 | 0 | 0 | 0 | 110.6 | L26 T93 F94 L99 H100 I107 E220 V223 A224 M229 | L26-V96 HydrophobicContact CD2-CG2 4.19Å; T93-V96 PolarHBondContact O-N 2.94Å; T93-V96 VanDerWaalsContact O-N 3.14Å; F94-V96 VanDerWaalsContact C-N 3.25Å; F94-V96 PolarHBondContact O-N 3.32Å; V96-L99 PolarHBondContact O-N 3.34Å; V96-H100 PolarHBondContact O-N 3.12Å; V96-I107 HydrophobicContact CG1-CD1 4.42Å; V96-I107 HydrophobicContact CG2-CD1 4.36Å; V96-E220 HydrophobicContact CG2-CB 3.73Å; V96-E220 HydrophobicContact CG2-CG 3.77Å; V96-V223 HydrophobicContact CB-CB 4.44Å; V96-V223 HydrophobicContact CB-CG1 4.01Å; V96-V223 HydrophobicContact CG1-CB 4.24Å; V96-V223 HydrophobicContact CG1-CG1 3.91Å; V96-A224 HydrophobicContact CG1-CB 3.75Å; V96-M229 HydrophobicContact CG1-SD 4.26Å |
| 97 | R | 94 | Very high | 94.3 | Very high | 21 Ų | 21 | 21.5 Ų | 21.5 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.8 | -38.6 | 174.9 | -62.2 | 178.9 | 178.5 | 93.2 | 3.3 | 111.7 | V6 T93 F94 Q95 H100 A101 A142 T151 V223 | V6-R97 HydrophobicContact CG1-CB 4.25Å; V6-R97 WeakPolarHBondContact CG1-O 3.45Å; V6-R97 HydrophobicContact CG2-CB 3.88Å; T93-R97 PolarHBondContact O-N 3.29Å; T93-R97 PolarHBondContact OG1-NH1 2.99Å; F94-R97 WeakPolarHBondContact O-CB 3.29Å; F94-R97 PolarHBondContact O-N 3.05Å; F94-R97 VanDerWaalsContact O-N 3.1Å; Q95-R97 VanDerWaalsContact C-N 3.33Å; Q95-R97 PolarHBondContact O-N 3.45Å; R97-H100 PolarHBondContact O-N 3.45Å; R97-A101 WeakPolarHBondContact O-CB 3.37Å; R97-A101 PolarHBondContact O-N 2.95Å; R97-A142 PolarHBondContact NH2-O 3.17Å; R97-T151 HydrophobicContact CG-CG2 4.19Å; R97-V223 HydrophobicContact CG-CG1 3.82Å |
| 98 | L | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.6 | -49.2 | 171.8 | 173.8 | 57.5 | 0 | 0 | 0 | 111.2 | A9 I49 L64 F94 Q95 H100 A101 L102 | A9-L98 HydrophobicContact CB-CD1 3.83Å; A9-L98 HydrophobicContact CB-CD2 4.41Å; I49-L98 HydrophobicContact CG2-CD2 4Å; L64-L98 HydrophobicContact CD1-CD2 4.05Å; F94-L98 HydrophobicContact CE1-CB 4.44Å; F94-L98 PolarHBondContact O-N 3.4Å; Q95-L98 WeakPolarHBondContact O-CB 3.36Å; Q95-L98 PolarHBondContact O-N 3.1Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 2.96Å; L98-A101 CarbonylContact O-C 3.49Å; L98-A101 WeakPolarHBondContact O-CB 3.02Å; L98-A101 PolarHBondContact O-N 3.14Å; L98-A101 VanDerWaalsContact O-N 3.1Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.17Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 2.86Å |
| 99 | L | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.8 | -68.9 | 166.5 | 0 | 0 | 0 | 111.9 | A24 L26 V75 M77 Q95 V96 L102 G103 V104 M229 | A24-L99 HydrophobicContact CB-CD1 3.65Å; A24-L99 HydrophobicContact CB-CD2 3.89Å; A24-L99 HydrophobicContact CB-CG 4.26Å; L26-L99 HydrophobicContact CD1-CD1 3.69Å; V75-L99 HydrophobicContact CB-CD2 4.48Å; V75-L99 HydrophobicContact CG1-CD2 3.43Å; V75-L99 VanDerWaalsContact CG1-CD2 3.43Å; V75-L99 HydrophobicContact CG2-CD2 4.26Å; M77-L99 HydrophobicContact SD-CD1 4.28Å; Q95-L99 WeakPolarHBondContact O-CB 3.36Å; Q95-L99 WeakPolarHBondContact O-CG 3.47Å; Q95-L99 PolarHBondContact O-N 2.98Å; V96-L99 PolarHBondContact O-N 3.34Å; L99-L102 PolarHBondContact O-N 3.16Å; L99-G103 PolarHBondContact O-N 3.22Å; L99-V104 HydrophobicContact CB-CB 4.36Å; L99-V104 HydrophobicContact CB-CG2 4.23Å; L99-V104 HydrophobicContact CD2-CG2 4.2Å; L99-V104 WeakPolarHBondContact O-CB 3.36Å; L99-V104 VanDerWaalsContact O-CG2 3.29Å; L99-V104 WeakPolarHBondContact O-CG2 3.48Å; L99-V104 PolarHBondContact O-N 3.42Å; L99-M229 HydrophobicContact CB-CE 4.47Å |
| 100 | H | 95.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 15.7 Ų | 15.7 | 27% | 0.269 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 172.1 | 175.7 | 60.3 | 0 | 0 | 0 | 112.1 | V96 R97 L98 L102 G103 C227 M229 | V96-H100 PolarHBondContact O-N 3.12Å; R97-H100 PolarHBondContact O-N 3.45Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 2.96Å; H100-L102 PolarHBondContact O-N 3.25Å; H100-G103 WeakPolarHBondContact O-CA 3.24Å; H100-G103 PolarHBondContact O-N 3.37Å; H100-C227 HydrophobicContact CB-CB 3.75Å; H100-C227 PolarHBondContact CE1-O 3.49Å; H100-C227 VanDerWaalsContact CG-CB 3.49Å; H100-C227 PolarHBondContact ND1-O 3.17Å; H100-C227 VanDerWaalsContact ND1-O 3.16Å; H100-M229 HydrophobicContact CB-SD 4.21Å |
| 101 | A | 94.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 13.8 Ų | 13.8 | 15% | 0.149 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V6 R14 R97 L98 G103 | V6-A101 HydrophobicContact CG1-CB 3.69Å; R14-A101 PolarHBondContact NH2-O 3.36Å; R97-A101 WeakPolarHBondContact O-CB 3.37Å; R97-A101 PolarHBondContact O-N 2.95Å; L98-A101 CarbonylContact O-C 3.49Å; L98-A101 WeakPolarHBondContact O-CB 3.02Å; L98-A101 PolarHBondContact O-N 3.14Å; L98-A101 VanDerWaalsContact O-N 3.1Å; A101-G103 PolarHBondContact O-N 3.11Å; A101-G103 VanDerWaalsContact O-N 3.16Å |
| 102 | L | 96.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 13.9 Ų | 13.9 | 5% | 0.052 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -5.4 | 172.4 | -64.5 | 172.5 | 0 | 0 | 0 | 113.7 | V13 R14 F66 L98 L99 H100 V104 | V13-L102 HydrophobicContact CB-CD1 4.34Å; V13-L102 HydrophobicContact CB-CD2 3.91Å; V13-L102 HydrophobicContact CG1-CD1 3.65Å; V13-L102 HydrophobicContact CG1-CD2 3.66Å; V13-L102 HydrophobicContact CG1-CG 4.31Å; R14-L102 HydrophobicContact CG-CD2 3.83Å; F66-L102 HydrophobicContact CZ-CD1 4.27Å; L98-L102 HydrophobicContact CD1-CD1 4.18Å; L98-L102 HydrophobicContact CD1-CG 4.17Å; L98-L102 HydrophobicContact CG-CD1 4.16Å; L98-L102 VanDerWaalsContact O-CG 3.3Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 2.86Å; L99-L102 PolarHBondContact O-N 3.16Å; H100-L102 PolarHBondContact O-N 3.25Å; L102-V104 HydrophobicContact CB-CG2 4.46Å |
| 103 | G | 96.3 | Very high | 95.3 | Very high | 32 Ų | 32 | 13.8 Ų | 13.8 | 33% | 0.33 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 19.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L99 H100 A101 P105 | L99-G103 PolarHBondContact O-N 3.22Å; H100-G103 WeakPolarHBondContact O-CA 3.24Å; H100-G103 PolarHBondContact O-N 3.37Å; A101-G103 PolarHBondContact O-N 3.11Å; A101-G103 VanDerWaalsContact O-N 3.16Å; G103-P105 WeakPolarHBondContact O-CD 3.46Å |
| 104 | V | 98 | Very high | 95.3 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | trans | -69.3 | 124.1 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | P21 A24 V75 L99 L102 K106 M229 | P21-V104 HydrophobicContact CB-CG2 3.91Å; P21-V104 HydrophobicContact CG-CG2 3.88Å; A24-V104 HydrophobicContact CB-CG1 3.87Å; V75-V104 HydrophobicContact CG1-CG2 4.38Å; L99-V104 HydrophobicContact CB-CB 4.36Å; L99-V104 HydrophobicContact CB-CG2 4.23Å; L99-V104 HydrophobicContact CD2-CG2 4.2Å; L99-V104 WeakPolarHBondContact O-CB 3.36Å; L99-V104 VanDerWaalsContact O-CG2 3.29Å; L99-V104 WeakPolarHBondContact O-CG2 3.48Å; L99-V104 PolarHBondContact O-N 3.42Å; L102-V104 HydrophobicContact CB-CG2 4.46Å; V104-K106 WeakPolarHBondContact CG1-O 3.43Å; V104-M229 HydrophobicContact CB-CE 3.89Å; V104-M229 HydrophobicContact CG1-CE 3.69Å; V104-M229 WeakPolarHBondContact O-CE 3.39Å | ||
| 105 | P | 98 | Very high | 95.4 | Very high | 59 Ų | 59 | 13.8 Ų | 13.8 | 38% | 0.383 | 8% | 0.083 | S | C | . | . | trans | -90.9 | -22.4 | -177.5 | 33.8 | -34.1 | 0 | 0 | 0 | 113.7 | P21 A22 G103 M229 E230 | P21-P105 WeakPolarHBondContact O-CD 3.4Å; A22-P105 WeakPolarHBondContact O-CD 3.28Å; A22-P105 WeakPolarHBondContact O-CG 3.49Å; G103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-M229 CarbonylContact O-C 3.56Å; P105-M229 VanDerWaalsContact O-CA 3.32Å; P105-M229 WeakPolarHBondContact O-CA 3.28Å; P105-E230 PolarHBondContact O-N 3.39Å | ||
| 106 | K | 98.6 | Very high | 95.5 | Very high | 46 Ų | 46 | 13.7 Ų | 13.7 | 20% | 0.2 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 142.6 | -172.6 | -62.8 | 176.9 | 170.2 | 47.7 | 0 | 110.9 | I23 A24 V104 L166 E230 L275 | I23-K106 WeakPolarHBondContact CA-O 3.29Å; I23-K106 HydrophobicContact CB-CB 4.27Å; I23-K106 HydrophobicContact CD1-CB 4.18Å; I23-K106 HydrophobicContact CG1-CB 3.99Å; A24-K106 PolarHBondContact N-O 3.05Å; V104-K106 WeakPolarHBondContact CG1-O 3.43Å; K106-L166 HydrophobicContact CD-CD2 4.24Å; K106-E230 CarbonylContact C-O 3.57Å; K106-E230 WeakPolarHBondContact CA-O 3.5Å; K106-E230 VanDerWaalsContact CE-OE2 3.28Å; K106-E230 WeakPolarHBondContact CE-OE2 3.28Å; K106-E230 HydrophobicContact CG-CB 4.2Å; K106-E230 IonicContact NZ-OE2 3.76Å; K106-E230 PolarHBondContact NZ-OE2 2.76Å; K106-L275 HydrophobicContact CD-CD1 4.27Å; K106-L275 HydrophobicContact CD-CD2 4.05Å |
| 107 | I | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.7 | 173.7 | -164 | 168.2 | 0 | 0 | 0 | 110.6 | A24 L26 V96 L109 A224 M229 E230 V231 I232 | A24-I107 HydrophobicContact CB-CG1 4.37Å; A24-I107 CarbonylContact O-C 3.46Å; A24-I107 WeakPolarHBondContact O-CA 3.44Å; L26-I107 HydrophobicContact CD1-CD1 3.82Å; L26-I107 HydrophobicContact CD1-CG1 4.09Å; L26-I107 HydrophobicContact CD2-CD1 4.12Å; V96-I107 HydrophobicContact CG1-CD1 4.42Å; V96-I107 HydrophobicContact CG2-CD1 4.36Å; I107-L109 HydrophobicContact CD1-CD2 3.83Å; I107-L109 HydrophobicContact CG1-CD2 3.86Å; I107-L109 HydrophobicContact CG1-CG 4.5Å; I107-A224 HydrophobicContact CD1-CB 4.42Å; I107-A224 HydrophobicContact CG2-CB 3.7Å; I107-M229 HydrophobicContact CB-CE 3.97Å; I107-E230 PolarHBondContact N-O 3.02Å; I107-V231 HydrophobicContact CG2-CB 4.08Å; I107-V231 HydrophobicContact CG2-CG1 3.95Å; I107-V231 HydrophobicContact CG2-CG2 3.83Å; I107-I232 PolarHBondContact O-N 3Å |
| 108 | F | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.6 | 172 | -170.5 | -74.8 | 0 | 0 | 0 | 108.6 | I23 A24 I25 L26 F170 I232 V234 L264 T268 F271 | I23-F108 HydrophobicContact CD1-CB 4.16Å; A24-F108 PolarHBondContact O-N 3.43Å; I25-F108 WeakPolarHBondContact CA-O 3.16Å; I25-F108 HydrophobicContact CG1-CB 4.37Å; I25-F108 HydrophobicContact CG2-CD1 4.15Å; L26-F108 PolarHBondContact N-O 3.08Å; F108-F170 AromaticContact CE2-CD2 3.9Å; F108-F170 HydrophobicContact CE2-CD2 3.9Å; F108-F170 AromaticContact CE2-CE2 3.73Å; F108-F170 HydrophobicContact CE2-CE2 3.73Å; F108-F170 HydrophobicContact CZ-CD2 4.46Å; F108-F170 AromaticContact CZ-CE2 3.87Å; F108-F170 HydrophobicContact CZ-CE2 3.87Å; F108-I232 WeakPolarHBondContact CA-O 3.5Å; F108-I232 HydrophobicContact CB-CG2 4.03Å; F108-I232 HydrophobicContact CD2-CG2 3.5Å; F108-I232 VanDerWaalsContact CD2-CG2 3.5Å; F108-I232 HydrophobicContact CE2-CD1 4.42Å; F108-I232 HydrophobicContact CE2-CG2 4.27Å; F108-I232 HydrophobicContact CG-CG2 4.01Å; F108-V234 HydrophobicContact CE1-CB 4.41Å; F108-V234 HydrophobicContact CE1-CG2 4.12Å; F108-V234 HydrophobicContact CE2-CG2 3.8Å; F108-V234 HydrophobicContact CZ-CB 4.06Å; F108-V234 HydrophobicContact CZ-CG2 3.42Å; F108-V234 VanDerWaalsContact CZ-CG2 3.42Å; F108-L264 HydrophobicContact CZ-CD1 4.37Å; F108-T268 HydrophobicContact CE1-CG2 4.37Å; F108-T268 HydrophobicContact CE2-CG2 4.36Å; F108-T268 HydrophobicContact CZ-CG2 4.26Å; F108-T268 WeakPolarHBondContact CZ-OG1 3.27Å; F108-F271 HydrophobicContact CD2-CD1 4.08Å; F108-F271 AromaticContact CD2-CE1 3.9Å; F108-F271 HydrophobicContact CD2-CE1 3.9Å; F108-F271 HydrophobicContact CE2-CD1 4.26Å; F108-F271 HydrophobicContact CE2-CE1 4.4Å |
| 109 | L | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120 | 176.4 | -55.1 | 177.8 | 0 | 0 | 0 | 108.7 | L26 I107 A217 E220 A221 V231 I232 A233 V234 | L26-L109 HydrophobicContact CB-CD2 3.81Å; L26-L109 HydrophobicContact CD2-CD2 4.14Å; L26-L109 HydrophobicContact CG-CD2 4.49Å; I107-L109 HydrophobicContact CD1-CD2 3.83Å; I107-L109 HydrophobicContact CG1-CD2 3.86Å; I107-L109 HydrophobicContact CG1-CG 4.5Å; L109-A217 HydrophobicContact CB-CB 4.43Å; L109-A217 HydrophobicContact CD1-CB 4.25Å; L109-E220 HydrophobicContact CD1-CB 4.47Å; L109-E220 HydrophobicContact CD2-CB 4.22Å; L109-A221 HydrophobicContact CD1-CB 3.72Å; L109-V231 HydrophobicContact CD1-CG1 4.02Å; L109-I232 PolarHBondContact N-O 2.84Å; L109-A233 HydrophobicContact CB-CB 3.94Å; L109-A233 HydrophobicContact CD1-CB 4.43Å; L109-A233 CarbonylContact O-C 3.59Å; L109-A233 VanDerWaalsContact O-CA 3.28Å; L109-A233 WeakPolarHBondContact O-CA 3.33Å; L109-V234 PolarHBondContact O-N 3.48Å |
| 110 | S | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.2 | 171.2 | 98 | 0 | 0 | 0 | 0 | 110.2 | L26 S27 S28 T29 H31 V234 | L26-S110 PolarHBondContact O-N 3.37Å; S27-S110 WeakPolarHBondContact CA-OG 3.33Å; S27-S110 WeakPolarHBondContact CB-OG 3.33Å; S27-S110 PolarHBondContact OG-OG 3.29Å; S28-S110 PolarHBondContact N-O 3.43Å; S28-S110 PolarHBondContact OG-O 3.07Å; T29-S110 PolarHBondContact OG1-OG 2.94Å; H31-S110 PolarHBondContact CE1-OG 3.1Å; H31-S110 VanDerWaalsContact CE1-OG 3.31Å; H31-S110 PolarHBondContact ND1-OG 3.39Å; S110-V234 WeakPolarHBondContact CA-O 3.15Å |
| 111 | T | 93 | Very high | 95.2 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164.6 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 112.4 | S28 T29 Y188 D216 A217 V234 T235 T236 | S28-T111 WeakPolarHBondContact OG-CA 3.34Å; S28-T111 PolarHBondContact OG-OG1 2.87Å; T29-T111 VanDerWaalsContact CG2-C 3.43Å; T111-Y188 HydrophobicContact CG2-CE2 4.3Å; T111-D216 VanDerWaalsContact CB-OD1 3.27Å; T111-D216 WeakPolarHBondContact CB-OD1 3.48Å; T111-D216 WeakPolarHBondContact CB-OD2 3.36Å; T111-D216 PolarHBondContact OG1-OD1 2.88Å; T111-D216 PolarHBondContact OG1-OD2 3.16Å; T111-A217 HydrophobicContact CG2-CB 4.49Å; T111-V234 PolarHBondContact N-O 3.23Å; T111-T235 HydrophobicContact CG2-CG2 3.63Å; T111-T235 CarbonylContact O-C 3.55Å; T111-T235 VanDerWaalsContact O-CA 3.29Å; T111-T235 WeakPolarHBondContact O-CA 3.5Å; T111-T236 PolarHBondContact O-N 3.38Å |
| 112 | V | 92.3 | Very high | 95 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 19% | 0.194 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.8 | 165 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | T29 T236 P240 I257 | T29-V112 HydrophobicContact CG2-CG2 3.55Å; V112-T236 WeakPolarHBondContact CA-O 3.46Å; V112-P240 HydrophobicContact CG1-CG 4.21Å; V112-I257 HydrophobicContact CG1-CD1 4.21Å; V112-I257 HydrophobicContact CG2-CG2 4.21Å |
| 113 | A | 93.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y188 A212 V213 T235 T236 G238 | A113-Y188 HydrophobicContact CB-CD2 4.26Å; A113-Y188 HydrophobicContact CB-CE2 3.83Å; A113-A212 HydrophobicContact CB-CB 3.86Å; A113-V213 WeakPolarHBondContact CA-O 3.27Å; A113-T235 HydrophobicContact CB-CG2 4.23Å; A113-T236 PolarHBondContact N-O 2.84Å; A113-G238 CarbonylContact O-C 3.56Å; A113-G238 PolarHBondContact O-N 3.13Å; A113-G238 VanDerWaalsContact O-O 3.11Å |
| 114 | G | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 145.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113 | A212 V213 | G114-A212 CarbonylContact O-C 3.51Å; G114-A212 VanDerWaalsContact O-CA 3.23Å; G114-A212 WeakPolarHBondContact O-CA 3.05Å; G114-V213 PolarHBondContact N-O 3.02Å; G114-V213 PolarHBondContact O-N 2.98Å |
| 115 | L | 94.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.4 | 175.8 | -55.5 | 110.8 | 0 | 0 | 0 | 111.4 | I122 M237 G238 S243 L245 | L115-I122 HydrophobicContact CD1-CD1 3.44Å; L115-I122 VanDerWaalsContact CD1-CD1 3.44Å; L115-I122 HydrophobicContact CD1-CG1 4.05Å; L115-M237 HydrophobicContact CB-CE 4.15Å; L115-M237 HydrophobicContact CD2-CB 4.23Å; L115-M237 HydrophobicContact CD2-CE 4.12Å; L115-M237 HydrophobicContact CG-CB 4.44Å; L115-M237 HydrophobicContact CG-CE 3.72Å; L115-G238 WeakPolarHBondContact CD1-O 3.36Å; L115-S243 WeakPolarHBondContact O-CB 3.48Å; L115-L245 HydrophobicContact CB-CD1 4.02Å; L115-L245 WeakPolarHBondContact O-CD1 3.46Å |
| 116 | L | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | trans | -121.8 | -36.8 | 163.3 | -63.8 | 177.4 | 0 | 0 | 0 | 111.3 | L202 L205 R206 A210 D211 V213 | L116-L202 HydrophobicContact CD2-CB 4.13Å; L116-L202 HydrophobicContact CD2-CD2 3.79Å; L116-L205 HydrophobicContact CD1-CB 3.74Å; L116-R206 HydrophobicContact CB-CB 4.39Å; L116-R206 VanDerWaalsContact O-CD 3.25Å; L116-R206 WeakPolarHBondContact O-CD 3.4Å; L116-A210 WeakPolarHBondContact CB-O 3.32Å; L116-A210 HydrophobicContact CD1-CB 3.65Å; L116-D211 WeakPolarHBondContact CB-O 3.29Å; L116-D211 PolarHBondContact N-O 2.92Å; L116-V213 HydrophobicContact CD1-CB 3.97Å; L116-V213 HydrophobicContact CD1-CG1 4.12Å; L116-V213 HydrophobicContact CD2-CG1 4.09Å; L116-V213 HydrophobicContact CG-CB 4.35Å; L116-V213 HydrophobicContact CG-CG1 3.96Å | ||
| 117 | N | 95 | Very high | 94.6 | Very high | 34 Ų | 34 | 22.6 Ų | 22.6 | 18% | 0.182 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -75.7 | 123.6 | 175.3 | -167.5 | -33.1 | 0 | 0 | 0 | 110.8 | Q119 Y120 D211 | N117-Q119 PolarHBondContact O-N 3.42Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.49Å; N117-Q119 PolarHBondContact OD1-N 3.14Å; N117-Y120 HydrophobicContact CB-CD1 4.11Å; N117-Y120 HydrophobicContact CB-CD2 3.91Å; N117-Y120 HydrophobicContact CB-CE1 4.1Å; N117-Y120 HydrophobicContact CB-CE2 3.93Å; N117-Y120 HydrophobicContact CB-CG 4Å; N117-Y120 PolarHBondContact O-N 3.46Å; N117-D211 HydrophobicContact CB-CB 3.97Å; N117-D211 PolarHBondContact N-O 3.39Å; N117-D211 PolarHBondContact ND2-OD1 2.92Å |
| 118 | K | 91.9 | Very high | 94.6 | Very high | 162 Ų | 162 | 22.7 Ų | 22.7 | 70% | 0.704 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.9 | -177.4 | -64.3 | -176.7 | 176.8 | -176.1 | 0 | 114.2 | Y120 | K118-Y120 VanDerWaalsContact C-N 3.32Š|
| 119 | Q | 93.8 | Very high | 94.7 | Very high | 150 Ų | 150 | 24.7 Ų | 24.7 | 70% | 0.701 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -15.8 | 177.9 | -63.1 | 178.8 | -1.9 | 0 | 0 | 112.2 | N117 | N117-Q119 PolarHBondContact O-N 3.42Å; N117-Q119 WeakPolarHBondContact OD1-CB 3.49Å; N117-Q119 PolarHBondContact OD1-N 3.14Å |
| 120 | Y | 94.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | trans | -87.1 | 158 | -179.5 | -60 | 0.2 | 0 | 0 | 0 | 109.8 | N117 K118 M126 H184 E185 D211 M237 | N117-Y120 HydrophobicContact CB-CD1 4.11Å; N117-Y120 HydrophobicContact CB-CD2 3.91Å; N117-Y120 HydrophobicContact CB-CE1 4.1Å; N117-Y120 HydrophobicContact CB-CE2 3.93Å; N117-Y120 HydrophobicContact CB-CG 4Å; N117-Y120 PolarHBondContact O-N 3.46Å; K118-Y120 VanDerWaalsContact C-N 3.32Å; Y120-M126 HydrophobicContact CE2-CB 4.31Å; Y120-M126 HydrophobicContact CE2-CG 4.05Å; Y120-M126 HydrophobicContact CE2-SD 3.71Å; Y120-H184 HydrophobicContact CD1-CB 4.12Å; Y120-H184 AromaticContact CD1-CD2 3.52Å; Y120-H184 AromaticContact CD1-CE1 3.67Å; Y120-H184 AromaticContact CD1-CG 3.48Å; Y120-H184 VanDerWaalsContact CD1-CG 3.48Å; Y120-H184 AromaticContact CD1-ND1 3.61Å; Y120-H184 AromaticContact CD1-NE2 3.63Å; Y120-H184 HydrophobicContact CE1-CB 3.56Å; Y120-H184 AromaticContact CE1-CD2 3.9Å; Y120-H184 AromaticContact CE1-CG 3.38Å; Y120-H184 AromaticContact CE1-ND1 3.54Å; Y120-H184 HydrophobicContact CE2-CB 4.13Å; Y120-H184 AromaticContact CG-CD2 3.77Å; Y120-H184 AromaticContact CZ-CG 3.9Å; Y120-E185 PolarHBondContact OH-O 3.46Å; Y120-E185 VanDerWaalsContact OH-O 3.11Å; Y120-D211 HydrophobicContact CE2-CB 3.66Å; Y120-M237 HydrophobicContact CD2-CE 4.05Å; Y120-M237 HydrophobicContact CD2-CG 4.39Å; Y120-M237 HydrophobicContact CD2-SD 4.1Å | ||
| 121 | S | 92.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | trans | -132.6 | 161.3 | 174.4 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | G123 D124 R182 M237 Q246 | S121-G123 PolarHBondContact O-N 2.88Å; S121-D124 PolarHBondContact N-OD2 3.33Å; S121-D124 VanDerWaalsContact O-CB 3.27Å; S121-D124 WeakPolarHBondContact O-CB 3.5Å; S121-D124 PolarHBondContact O-N 2.81Å; S121-R182 PolarHBondContact OG-NH2 2.93Å; S121-M237 VanDerWaalsContact O-CB 3.29Å; S121-M237 WeakPolarHBondContact O-CB 3.25Å; S121-Q246 PolarHBondContact OG-NE2 2.85Å | ||
| 122 | I | 92.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.2 | 171.4 | -61.5 | -74.6 | 0 | 0 | 0 | 109.1 | L115 D124 M237 G238 D239 Q246 V253 A256 | L115-I122 HydrophobicContact CD1-CD1 3.44Å; L115-I122 VanDerWaalsContact CD1-CD1 3.44Å; L115-I122 HydrophobicContact CD1-CG1 4.05Å; I122-D124 VanDerWaalsContact C-N 3.29Å; I122-D124 PolarHBondContact O-N 3.36Å; I122-M237 CarbonylContact C-O 3.53Å; I122-M237 WeakPolarHBondContact CA-O 3.46Å; I122-G238 WeakPolarHBondContact CD1-O 3.29Å; I122-D239 HydrophobicContact CD1-CB 3.9Å; I122-Q246 HydrophobicContact CG1-CB 4.44Å; I122-Q246 HydrophobicContact CG1-CG 4.26Å; I122-V253 HydrophobicContact CD1-CG1 4.19Å; I122-V253 HydrophobicContact CD1-CG2 4.3Å; I122-V253 HydrophobicContact CG1-CG2 4.35Å; I122-V253 HydrophobicContact CG2-CG1 4.3Å; I122-V253 HydrophobicContact CG2-CG2 4.47Å; I122-A256 HydrophobicContact CG2-CB 3.74Å |
| 123 | G | 91.5 | Very high | 95.3 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | -7.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S121 M237 S260 | S121-G123 PolarHBondContact O-N 2.88Å; G123-M237 PolarHBondContact N-O 3.29Å; G123-S260 WeakPolarHBondContact CA-OG 3.28Å; G123-S260 PolarHBondContact O-OG 3.35Å; G123-S260 VanDerWaalsContact O-OG 3.09Å |
| 124 | D | 94.5 | Very high | 95.4 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | trans | -67.6 | 159.8 | 167.8 | -66.7 | -15.3 | 0 | 0 | 0 | 110.1 | S121 I122 R182 H184 M237 | S121-D124 PolarHBondContact N-OD2 3.33Å; S121-D124 VanDerWaalsContact O-CB 3.27Å; S121-D124 WeakPolarHBondContact O-CB 3.5Å; S121-D124 PolarHBondContact O-N 2.81Å; I122-D124 VanDerWaalsContact C-N 3.29Å; I122-D124 PolarHBondContact O-N 3.36Å; D124-R182 IonicContact OD1-CZ 3.32Å; D124-R182 VanDerWaalsContact OD1-CZ 3.32Å; D124-R182 IonicContact OD1-NE 2.88Å; D124-R182 PolarHBondContact OD1-NE 3.45Å; D124-R182 IonicContact OD1-NH2 2.88Å; D124-R182 PolarHBondContact OD1-NH2 3.39Å; D124-R182 IonicContact OD2-CZ 3.4Å; D124-R182 IonicContact OD2-NE 3.35Å; D124-R182 PolarHBondContact OD2-NE 3.09Å; D124-R182 IonicContact OD2-NH2 3.06Å; D124-R182 PolarHBondContact OD2-NH2 2.91Å; D124-H184 IonicContact OD2-CD2 3.27Å; D124-H184 IonicContact OD2-CE1 2.95Å; D124-H184 IonicContact OD2-NE2 3.36Å; D124-H184 PolarHBondContact OD2-NE2 3.19Å; D124-M237 HydrophobicContact CB-CB 4.33Å; D124-M237 HydrophobicContact CB-CG 4.09Å; D124-M237 WeakPolarHBondContact O-CB 3.5Å; D124-M237 WeakPolarHBondContact O-CG 3.32Å; D124-M237 PolarHBondContact O-N 3.03Å | ||
| 125 | Y | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 151.8 | 166.3 | -52.6 | -75.9 | 0 | 0 | 0 | 110.6 | V181 R182 V183 H184 V234 T235 S260 N263 L264 F267 | Y125-V181 HydrophobicContact CD2-CB 4.35Å; Y125-V181 HydrophobicContact CE2-CB 3.89Å; Y125-V181 HydrophobicContact CE2-CG1 3.88Å; Y125-V181 HydrophobicContact CE2-CG2 4.32Å; Y125-R182 PolarHBondContact N-O 2.83Å; Y125-V183 HydrophobicContact CD2-CG2 4.14Å; Y125-V183 WeakPolarHBondContact O-CA 3.43Å; Y125-H184 PolarHBondContact O-CD2 2.8Å; Y125-H184 PolarHBondContact O-N 2.77Å; Y125-V234 HydrophobicContact CD1-CG1 4.32Å; Y125-T235 CarbonylContact C-O 3.54Å; Y125-T235 WeakPolarHBondContact CA-O 3.29Å; Y125-S260 VanDerWaalsContact OH-C 3.3Å; Y125-S260 VanDerWaalsContact OH-CA 3.25Å; Y125-S260 WeakPolarHBondContact OH-CA 3.36Å; Y125-S260 PolarHBondContact OH-O 2.83Å; Y125-N263 VanDerWaalsContact OH-CB 3.27Å; Y125-N263 WeakPolarHBondContact OH-CB 3.41Å; Y125-L264 HydrophobicContact CD1-CD1 4.43Å; Y125-L264 HydrophobicContact CE1-CB 3.85Å; Y125-L264 HydrophobicContact CE1-CD1 4.31Å; Y125-L264 HydrophobicContact CE1-CD2 4.32Å; Y125-L264 HydrophobicContact CE1-CG 4.39Å; Y125-F267 HydrophobicContact CE2-CD2 4.39Å; Y125-F267 AromaticContact CE2-CE2 3.88Å; Y125-F267 HydrophobicContact CE2-CE2 3.88Å |
| 126 | M | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.2 | 165.3 | -179 | -164.2 | 71.5 | 0 | 0 | 109.7 | Y120 V128 H184 G186 D211 A212 T235 M237 | Y120-M126 HydrophobicContact CE2-CB 4.31Å; Y120-M126 HydrophobicContact CE2-CG 4.05Å; Y120-M126 HydrophobicContact CE2-SD 3.71Å; M126-V128 HydrophobicContact CE-CG2 4.11Å; M126-H184 WeakPolarHBondContact CA-O 3.29Å; M126-H184 HydrophobicContact CB-CB 4.33Å; M126-H184 HydrophobicContact CG-CB 4.35Å; M126-G186 VanDerWaalsContact SD-CA 3.57Å; M126-D211 HydrophobicContact SD-CB 3.92Å; M126-A212 HydrophobicContact CE-CB 3.56Å; M126-A212 HydrophobicContact SD-CB 4Å; M126-T235 WeakPolarHBondContact CB-OG1 3.33Å; M126-T235 HydrophobicContact CE-CG2 4.04Å; M126-T235 PolarHBondContact N-O 3.25Å; M126-T235 PolarHBondContact O-N 3.06Å; M126-T235 PolarHBondContact O-OG1 2.72Å; M126-M237 HydrophobicContact CB-SD 3.97Å |
| 127 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.6 | 166 | -59.3 | 179.9 | 0 | 0 | 0 | 108.8 | T129 R167 F170 K171 V183 H184 E185 G186 V234 | L127-T129 PolarHBondContact O-N 3.36Å; L127-R167 HydrophobicContact CB-CG 4.14Å; L127-R167 HydrophobicContact CD1-CB 3.95Å; L127-R167 HydrophobicContact CD1-CG 4.22Å; L127-F170 HydrophobicContact CD1-CD1 4.32Å; L127-F170 HydrophobicContact CD2-CD1 3.65Å; L127-F170 HydrophobicContact CD2-CE1 4.12Å; L127-F170 HydrophobicContact CD2-CG 4.18Å; L127-F170 HydrophobicContact CG-CD1 4.48Å; L127-K171 HydrophobicContact CD1-CD 4.07Å; L127-K171 HydrophobicContact CD1-CG 3.55Å; L127-V183 HydrophobicContact CD1-CG1 3.97Å; L127-V183 HydrophobicContact CD2-CG1 4.47Å; L127-V183 HydrophobicContact CG-CG1 3.78Å; L127-H184 PolarHBondContact N-O 3.22Å; L127-E185 HydrophobicContact CB-CG 4.34Å; L127-E185 WeakPolarHBondContact O-CA 3.13Å; L127-G186 PolarHBondContact O-N 3.34Å; L127-V234 HydrophobicContact CD2-CB 4.32Å; L127-V234 HydrophobicContact CD2-CG1 4.17Å; L127-V234 HydrophobicContact CD2-CG2 3.62Å |
| 128 | V | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.5 | 179.3 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | M126 D130 Y162 R167 A233 T235 | M126-V128 HydrophobicContact CE-CG2 4.11Å; V128-D130 WeakPolarHBondContact CG1-O 3.29Å; V128-Y162 HydrophobicContact CB-CD1 4.15Å; V128-Y162 HydrophobicContact CB-CD2 4.44Å; V128-Y162 HydrophobicContact CB-CE1 4.04Å; V128-Y162 HydrophobicContact CB-CE2 4.33Å; V128-Y162 HydrophobicContact CB-CG 4.34Å; V128-Y162 HydrophobicContact CG1-CD1 4.29Å; V128-Y162 HydrophobicContact CG1-CD2 3.87Å; V128-Y162 HydrophobicContact CG1-CE1 3.94Å; V128-Y162 HydrophobicContact CG1-CE2 3.45Å; V128-Y162 VanDerWaalsContact CG1-CE2 3.45Å; V128-Y162 HydrophobicContact CG1-CG 4.26Å; V128-Y162 VanDerWaalsContact CG1-CZ 3.49Å; V128-Y162 WeakPolarHBondContact O-CB 3.36Å; V128-R167 WeakPolarHBondContact O-CD 3.46Å; V128-A233 HydrophobicContact CB-CB 3.94Å; V128-A233 HydrophobicContact CG2-CB 3.67Å; V128-A233 PolarHBondContact N-O 2.92Å; V128-T235 HydrophobicContact CG2-CG2 3.74Å |
| 129 | T | 98.4 | Very high | 95.3 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | -29.8 | 177.4 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | L127 E185 G186 | L127-T129 PolarHBondContact O-N 3.36Å; T129-E185 HydrophobicContact CG2-CB 3.66Å; T129-E185 HydrophobicContact CG2-CG 4.42Å; T129-G186 PolarHBondContact N-O 3.36Å; T129-G186 PolarHBondContact OG1-O 2.79Å |
| 130 | D | 98 | Very high | 95.2 | Very high | 77 Ų | 77 | 43.2 Ų | 43.2 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 169.6 | -179.5 | -158.9 | -0.1 | 0 | 0 | 0 | 109 | V128 R187 Y188 | V128-D130 WeakPolarHBondContact CG1-O 3.29Å; D130-R187 HydrophobicContact CB-CG 4.23Å; D130-R187 VanDerWaalsContact O-CA 3.31Å; D130-R187 WeakPolarHBondContact O-CA 3.09Å; D130-Y188 PolarHBondContact O-N 3.18Å |
| 131 | H | 97.5 | Very high | 95.1 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 11% | 0.111 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 156.2 | 177.2 | 74.6 | 178.8 | 0 | 0 | 0 | 114.7 | H133 M161 Y162 Y188 | H131-H133 AromaticContact CE1-CD2 3.67Å; H131-M161 WeakPolarHBondContact CE1-CE 3.28Å; H131-M161 VanDerWaalsContact NE2-CE 3.29Å; H131-M161 WeakPolarHBondContact NE2-CE 3.28Å; H131-Y162 HydrophobicContact CB-CE2 4.13Å; H131-Y162 PolarHBondContact ND1-OH 2.86Å; H131-Y162 VanDerWaalsContact ND1-OH 3.16Å; H131-Y188 CarbonylContact C-O 3.55Å; H131-Y188 WeakPolarHBondContact CA-O 3.1Å; H131-Y188 WeakPolarHBondContact CB-O 3.42Å |
| 132 | L | 97.4 | Very high | 95 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 101.8 | 162.9 | -60.7 | 177.2 | 0 | 0 | 0 | 107.6 | M134 Y188 A189 F190 A208 A210 | L132-M134 VanDerWaalsContact C-N 3.35Å; L132-M134 HydrophobicContact CB-SD 4.28Å; L132-M134 PolarHBondContact O-N 2.78Å; L132-M134 VanDerWaalsContact O-N 3.1Å; L132-Y188 PolarHBondContact N-O 2.94Å; L132-A189 HydrophobicContact CB-CB 4.42Å; L132-F190 PolarHBondContact O-N 2.9Å; L132-A208 HydrophobicContact CD1-CB 3.77Å; L132-A210 HydrophobicContact CD1-CB 3.99Å |
| 133 | H | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 77 | 178.9 | -164.5 | -47.6 | 0 | 0 | 0 | 110.8 | H131 S136 L137 F190 D219 M222 | H131-H133 AromaticContact CE1-CD2 3.67Å; H133-S136 PolarHBondContact CE1-OG 2.7Å; H133-S136 VanDerWaalsContact ND1-CB 3.35Å; H133-S136 WeakPolarHBondContact ND1-CB 3.41Å; H133-S136 PolarHBondContact ND1-N 3.34Å; H133-S136 PolarHBondContact ND1-OG 2.84Å; H133-S136 PolarHBondContact NE2-OG 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.46Å; H133-S136 PolarHBondContact O-N 3.5Å; H133-L137 PolarHBondContact O-N 2.84Å; H133-F190 AromaticContact CD2-CD1 3.88Å; H133-F190 AromaticContact CE1-CD1 3.45Å; H133-F190 VanDerWaalsContact CE1-CD1 3.45Å; H133-F190 WeakPolarHBondContact CE1-CD1 3.14Å; H133-F190 AromaticContact CE1-CE1 3.37Å; H133-F190 WeakPolarHBondContact CE1-CE1 3.46Å; H133-F190 AromaticContact CG-CD1 3.89Å; H133-F190 AromaticContact ND1-CD1 3.6Å; H133-F190 AromaticContact ND1-CE1 3.95Å; H133-F190 AromaticContact NE2-CD1 3.63Å; H133-F190 AromaticContact NE2-CE1 3.66Å; H133-D219 IonicContact CE1-OD1 3.91Å; H133-D219 PolarHBondContact CE1-OD1 3.05Å; H133-D219 IonicContact NE2-OD1 2.74Å; H133-D219 PolarHBondContact NE2-OD1 3.37Å; H133-M222 VanDerWaalsContact NE2-CE 3.34Å; H133-M222 WeakPolarHBondContact NE2-CE 3.36Å |
| 134 | M | 96.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 21% | 0.212 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -42.5 | -171.3 | -61.4 | -60.3 | -61.8 | 0 | 0 | 113.7 | L132 S136 L137 F190 I191 F204 L205 | L132-M134 VanDerWaalsContact C-N 3.35Å; L132-M134 HydrophobicContact CB-SD 4.28Å; L132-M134 PolarHBondContact O-N 2.78Å; L132-M134 VanDerWaalsContact O-N 3.1Å; M134-S136 VanDerWaalsContact C-N 3.31Å; M134-S136 PolarHBondContact O-N 2.96Å; M134-L137 PolarHBondContact O-N 3.29Å; M134-L137 HydrophobicContact SD-CD1 4.08Å; M134-F190 VanDerWaalsContact CB-O 3.29Å; M134-F190 WeakPolarHBondContact CB-O 3.19Å; M134-F190 WeakPolarHBondContact CG-O 3.43Å; M134-F190 PolarHBondContact N-O 3.14Å; M134-F190 VanDerWaalsContact N-O 3.08Å; M134-I191 HydrophobicContact CB-CG2 4.4Å; M134-I191 HydrophobicContact CG-CG2 4.06Å; M134-F204 HydrophobicContact CE-CE1 3.73Å; M134-F204 HydrophobicContact CE-CZ 4.33Å; M134-L205 HydrophobicContact CG-CD2 4.2Å; M134-L205 HydrophobicContact SD-CD2 4.18Å |
| 135 | P | 95.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 13% | 0.13 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.8 | -28 | 36.6 | 0 | 0 | 0 | 113.9 | L137 L138 G139 R140 F190 | P135-L137 VanDerWaalsContact C-N 3.34Å; P135-L137 PolarHBondContact O-N 2.95Å; P135-L138 CarbonylContact O-C 3.56Å; P135-L138 PolarHBondContact O-N 3.07Å; P135-L138 VanDerWaalsContact O-N 3.1Å; P135-G139 PolarHBondContact O-N 3.44Å; P135-R140 CarbonylContact C-O 3.59Å; P135-R140 HydrophobicContact CB-CB 4.13Å; P135-R140 WeakPolarHBondContact CB-O 3.48Å; P135-R140 CarbonylContact O-C 3.59Å; P135-R140 WeakPolarHBondContact O-CA 3.39Å; P135-R140 WeakPolarHBondContact O-CB 3.41Å; P135-R140 PolarHBondContact O-N 3.11Å; P135-F190 VanDerWaalsContact CD-O 3.3Å; P135-F190 WeakPolarHBondContact CD-O 3.31Å; P135-F190 HydrophobicContact CG-CD1 4.16Å; P135-F190 HydrophobicContact CG-CE1 3.85Å; P135-F190 HydrophobicContact CG-CZ 4.35Å |
| 136 | S | 93.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.3 | -32.9 | -177.8 | -74.1 | 0 | 0 | 0 | 0 | 111.8 | H133 M134 L138 G139 R140 S141 | H133-S136 PolarHBondContact CE1-OG 2.7Å; H133-S136 VanDerWaalsContact ND1-CB 3.35Å; H133-S136 WeakPolarHBondContact ND1-CB 3.41Å; H133-S136 PolarHBondContact ND1-N 3.34Å; H133-S136 PolarHBondContact ND1-OG 2.84Å; H133-S136 PolarHBondContact NE2-OG 3.36Å; H133-S136 WeakPolarHBondContact O-CB 3.46Å; H133-S136 PolarHBondContact O-N 3.5Å; M134-S136 VanDerWaalsContact C-N 3.31Å; M134-S136 PolarHBondContact O-N 2.96Å; S136-L138 PolarHBondContact O-N 2.69Å; S136-G139 PolarHBondContact O-N 2.94Å; S136-R140 PolarHBondContact N-O 3.33Å; S136-S141 VanDerWaalsContact OG-CB 3.27Å; S136-S141 WeakPolarHBondContact OG-CB 3.17Å; S136-S141 PolarHBondContact OG-OG 3.48Å |
| 137 | L | 94.4 | Very high | 92 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.5 | -22.5 | 173.9 | -61.3 | -178.8 | 0 | 0 | 0 | 112.7 | H133 M134 P135 | H133-L137 PolarHBondContact O-N 2.84Å; M134-L137 PolarHBondContact O-N 3.29Å; M134-L137 HydrophobicContact SD-CD1 4.08Å; P135-L137 VanDerWaalsContact C-N 3.34Å; P135-L137 PolarHBondContact O-N 2.95Å |
| 138 | L | 93.1 | Very high | 90.3 | Very high | 147 Ų | 147 | 59 Ų | 59 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 14.1 | 176.7 | -59.6 | 176.6 | 0 | 0 | 0 | 112.8 | P135 S136 R140 | P135-L138 CarbonylContact O-C 3.56Å; P135-L138 PolarHBondContact O-N 3.07Å; P135-L138 VanDerWaalsContact O-N 3.1Å; S136-L138 PolarHBondContact O-N 2.69Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 2.99Å |
| 139 | G | 91.6 | Very high | 88.5 | Confident | 50 Ų | 50 | 68.7 Ų | 68.7 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 10.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P135 S136 | P135-G139 PolarHBondContact O-N 3.44Å; S136-G139 PolarHBondContact O-N 2.94Å |
| 140 | R | 91.2 | Very high | 86.9 | Confident | 193 Ų | 193 | 72.5 Ų | 72.5 | 73% | 0.728 | 39% | 0.391 | S | S | * | . | trans | -98.6 | 87.1 | 172.5 | -67.9 | -174.4 | 173 | -179.4 | -1.5 | 109.5 | P135 S136 L138 | P135-R140 CarbonylContact C-O 3.59Å; P135-R140 HydrophobicContact CB-CB 4.13Å; P135-R140 WeakPolarHBondContact CB-O 3.48Å; P135-R140 CarbonylContact O-C 3.59Å; P135-R140 WeakPolarHBondContact O-CA 3.39Å; P135-R140 WeakPolarHBondContact O-CB 3.41Å; P135-R140 PolarHBondContact O-N 3.11Å; S136-R140 PolarHBondContact N-O 3.33Å; L138-R140 VanDerWaalsContact C-N 3.3Å; L138-R140 PolarHBondContact O-N 2.99Å | ||
| 141 | S | 91.9 | Very high | 85.7 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | trans | -132.2 | 144.6 | -177.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | Q90 S136 L143 V144 M222 | Q90-S141 PolarHBondContact NE2-O 2.86Å; S136-S141 VanDerWaalsContact OG-CB 3.27Å; S136-S141 WeakPolarHBondContact OG-CB 3.17Å; S136-S141 PolarHBondContact OG-OG 3.48Å; S141-L143 PolarHBondContact O-N 2.84Å; S141-L143 VanDerWaalsContact O-N 3.08Å; S141-L143 PolarHBondContact OG-N 3.38Å; S141-L143 VanDerWaalsContact OG-N 3.13Å; S141-V144 PolarHBondContact O-N 3.3Å; S141-V144 VanDerWaalsContact O-N 3.11Å; S141-M222 WeakPolarHBondContact OG-CE 3.44Å; S141-M222 PolarHBondContact OG-SD 2.84Å | ||
| 142 | A | 91.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P89 T93 R97 T146 M222 V223 | P89-A142 HydrophobicContact CB-CB 3.78Å; P89-A142 WeakPolarHBondContact O-CB 3.42Å; T93-A142 HydrophobicContact CG2-CB 3.88Å; T93-A142 WeakPolarHBondContact OG1-CB 3.45Å; R97-A142 PolarHBondContact NH2-O 3.17Å; A142-T146 VanDerWaalsContact O-CG2 3.3Å; A142-T146 WeakPolarHBondContact O-CG2 3.48Å; A142-M222 HydrophobicContact CB-CE 4.08Å; A142-V223 HydrophobicContact CB-CG2 3.7Å |
| 143 | L | 91.6 | Very high | 84 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -15.8 | 178 | -54.3 | -167.3 | 0 | 0 | 0 | 113.3 | S141 G145 T146 P156 M158 M222 V223 Q226 | S141-L143 PolarHBondContact O-N 2.84Å; S141-L143 VanDerWaalsContact O-N 3.08Å; S141-L143 PolarHBondContact OG-N 3.38Å; S141-L143 VanDerWaalsContact OG-N 3.13Å; L143-G145 PolarHBondContact O-N 3.13Å; L143-T146 WeakPolarHBondContact O-CB 3.25Å; L143-T146 PolarHBondContact O-N 3.27Å; L143-T146 VanDerWaalsContact O-N 3.11Å; L143-T146 PolarHBondContact O-OG1 3.04Å; L143-P156 HydrophobicContact CD1-CG 3.8Å; L143-M158 HydrophobicContact CD1-CE 3.71Å; L143-M222 HydrophobicContact CD1-CG 3.87Å; L143-M222 HydrophobicContact CD1-SD 3.93Å; L143-M222 HydrophobicContact CG-CE 4.15Å; L143-M222 HydrophobicContact CG-CG 4.09Å; L143-M222 HydrophobicContact CG-SD 3.92Å; L143-V223 HydrophobicContact CD2-CG2 3.98Å; L143-Q226 HydrophobicContact CD2-CB 4.25Å; L143-Q226 VanDerWaalsContact CD2-CD 3.47Å; L143-Q226 HydrophobicContact CD2-CG 4.32Å |
| 144 | V | 89.5 | Confident | 83.3 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 130.8 | 178.8 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | Q90 S141 T146 | Q90-V144 PolarHBondContact NE2-O 3.16Å; S141-V144 PolarHBondContact O-N 3.3Å; S141-V144 VanDerWaalsContact O-N 3.11Å; V144-T146 PolarHBondContact O-N 3.26Å |
| 145 | G | 84.1 | Confident | 82.8 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 73% | 0.732 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | -1.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L143 T147 | L143-G145 PolarHBondContact O-N 3.13Å; G145-T147 PolarHBondContact O-N 2.97Å; G145-T147 VanDerWaalsContact O-N 3.15Å |
| 146 | T | 75.9 | Confident | 82.5 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | trans | -78.2 | 103 | 177.5 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | A142 L143 V144 | A142-T146 VanDerWaalsContact O-CG2 3.3Å; A142-T146 WeakPolarHBondContact O-CG2 3.48Å; L143-T146 WeakPolarHBondContact O-CB 3.25Å; L143-T146 PolarHBondContact O-N 3.27Å; L143-T146 VanDerWaalsContact O-N 3.11Å; L143-T146 PolarHBondContact O-OG1 3.04Å; V144-T146 PolarHBondContact O-N 3.26Å | ||
| 147 | T | 66.9 | Low | 82.5 | Confident | 108 Ų | 108 | 87 Ų | 87 | 66% | 0.663 | 47% | 0.466 | S | S | * | . | trans | -100.2 | -13.9 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | G145 R149 Q154 | G145-T147 PolarHBondContact O-N 2.97Å; G145-T147 VanDerWaalsContact O-N 3.15Å; T147-R149 PolarHBondContact O-N 3.47Å; T147-Q154 PolarHBondContact O-NE2 3.04Å | ||
| 148 | N | 63.1 | Low | 82.5 | Confident | 82 Ų | 82 | 83.3 Ų | 83.3 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | trans | -67.8 | 107 | -173.4 | -165.9 | -3.4 | 0 | 0 | 0 | 110.8 | Q150 T151 | N148-Q150 PolarHBondContact ND2-OE1 2.68Å; N148-Q150 PolarHBondContact O-N 3.22Å; N148-Q150 VanDerWaalsContact O-N 3.16Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.14Å; N148-Q150 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q150 PolarHBondContact OD1-N 3.17Å; N148-Q150 VanDerWaalsContact OD1-N 3.13Å; N148-T151 PolarHBondContact O-N 2.91Å; N148-T151 PolarHBondContact O-OG1 3.08Å; N148-T151 VanDerWaalsContact O-OG1 3.13Å | ||
| 149 | R | 60 | Low | 82.6 | Confident | 205 Ų | 205 | 86.9 Ų | 86.9 | 77% | 0.774 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -63.6 | -17 | 178.2 | -70.5 | -174.2 | 175.3 | -175.2 | -0.6 | 113 | T147 T151 G152 | T147-R149 PolarHBondContact O-N 3.47Å; R149-T151 PolarHBondContact O-N 2.96Å; R149-G152 PolarHBondContact O-N 3.1Å |
| 150 | Q | 65.3 | Low | 82.7 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 58% | 0.575 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -65.5 | -24.5 | 179.2 | -67.8 | 177.4 | -29.3 | 0 | 0 | 113.1 | N148 G152 | N148-Q150 PolarHBondContact ND2-OE1 2.68Å; N148-Q150 PolarHBondContact O-N 3.22Å; N148-Q150 VanDerWaalsContact O-N 3.16Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.14Å; N148-Q150 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q150 PolarHBondContact OD1-N 3.17Å; N148-Q150 VanDerWaalsContact OD1-N 3.13Å; Q150-G152 VanDerWaalsContact C-N 3.31Å |
| 151 | T | 72.1 | Confident | 83 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 9% | 0.086 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -89.8 | 5.4 | 178 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | R97 N148 R149 Q226 C227 | R97-T151 HydrophobicContact CG-CG2 4.19Å; N148-T151 PolarHBondContact O-N 2.91Å; N148-T151 PolarHBondContact O-OG1 3.08Å; N148-T151 VanDerWaalsContact O-OG1 3.13Å; R149-T151 PolarHBondContact O-N 2.96Å; T151-Q226 CarbonylContact O-C 3.44Å; T151-C227 VanDerWaalsContact O-CA 3.28Å; T151-C227 WeakPolarHBondContact O-CA 3.45Å; T151-C227 PolarHBondContact O-N 3.22Å; T151-C227 PolarHBondContact O-SG 2.9Å |
| 152 | G | 80.3 | Confident | 83.3 | Confident | 29 Ų | 29 | 78.1 Ų | 78.1 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 109.3 | -153.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R149 Q150 | R149-G152 PolarHBondContact O-N 3.1Å; Q150-G152 VanDerWaalsContact C-N 3.31Å |
| 153 | A | 80.3 | Confident | 83.6 | Confident | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | trans | -67.3 | 137.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R155 P156 Q226 | A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 3.38Å; A153-P156 HydrophobicContact CB-CB 4.33Å; A153-P156 WeakPolarHBondContact O-CD 3.48Å; A153-Q226 WeakPolarHBondContact O-CG 3.44Å; A153-Q226 PolarHBondContact O-NE2 3.27Å | ||
| 154 | Q | 80.3 | Confident | 83.9 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.491 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -68 | -30.4 | 174.4 | -74.9 | -174 | -18.2 | 0 | 0 | 112.7 | T147 | T147-Q154 PolarHBondContact O-NE2 3.04Š|
| 155 | R | 86.2 | Confident | 84.4 | Confident | 234 Ų | 234 | 84.3 Ų | 84.3 | 88% | 0.883 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -127.9 | 73.7 | 177 | -65.2 | -171.6 | -65 | -175.6 | -0.8 | 109.3 | A153 | A153-R155 VanDerWaalsContact C-N 3.29Å; A153-R155 PolarHBondContact O-N 3.38Å |
| 156 | P | 90.1 | Very high | 85.1 | Confident | 24 Ų | 24 | 81.2 Ų | 81.2 | 16% | 0.156 | 41% | 0.409 | C | S | . | . | trans | -67.6 | 141.6 | -177.4 | 28.6 | -32.7 | 0 | 0 | 0 | 110.5 | L143 A153 M158 Q226 | L143-P156 HydrophobicContact CD1-CG 3.8Å; A153-P156 HydrophobicContact CB-CB 4.33Å; A153-P156 WeakPolarHBondContact O-CD 3.48Å; P156-M158 HydrophobicContact CB-CE 4.43Å; P156-M158 HydrophobicContact CG-CE 3.6Å; P156-M158 HydrophobicContact CG-SD 4.32Å; P156-M158 PolarHBondContact O-N 3.41Å; P156-Q226 HydrophobicContact CB-CB 4.5Å; P156-Q226 HydrophobicContact CG-CB 4.13Å; P156-Q226 HydrophobicContact CG-CG 4.17Å | ||
| 157 | V | 92.8 | Very high | 86.1 | Confident | 101 Ų | 101 | 81 Ų | 81 | 61% | 0.612 | 40% | 0.404 | S | S | * | . | trans | -79.6 | 118.8 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 108.4 | R159 R225 | V157-R159 HydrophobicContact CG1-CB 3.92Å; V157-R225 PolarHBondContact O-NE 2.8Å; V157-R225 VanDerWaalsContact O-NE 3.14Å | ||
| 158 | M | 94.9 | Very high | 87.6 | Confident | 55 Ų | 55 | 80 Ų | 80 | 27% | 0.271 | 39% | 0.391 | S | S | . | . | trans | -81.5 | -13.9 | -178.6 | -56.4 | -52.9 | -178.7 | 0 | 0 | 113.7 | L143 P156 G160 M161 M222 R225 | L143-M158 HydrophobicContact CD1-CE 3.71Å; P156-M158 HydrophobicContact CB-CE 4.43Å; P156-M158 HydrophobicContact CG-CE 3.6Å; P156-M158 HydrophobicContact CG-SD 4.32Å; P156-M158 PolarHBondContact O-N 3.41Å; M158-G160 PolarHBondContact O-N 3.21Å; M158-M161 WeakPolarHBondContact O-CB 3.49Å; M158-M161 PolarHBondContact O-N 3.1Å; M158-M222 HydrophobicContact CE-CG 3.47Å; M158-M222 VanDerWaalsContact CE-CG 3.47Å; M158-M222 HydrophobicContact CE-SD 4.05Å; M158-M222 HydrophobicContact SD-CG 4.29Å; M158-R225 HydrophobicContact SD-CG 4.12Å | ||
| 159 | R | 94.2 | Very high | 89.3 | Confident | 221 Ų | 221 | 77.8 Ų | 77.8 | 83% | 0.834 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 131.5 | 174 | -179.7 | 179.2 | -75.9 | -140.8 | -1.1 | 109.7 | V157 M161 | V157-R159 HydrophobicContact CG1-CB 3.92Å; R159-M161 VanDerWaalsContact C-N 3.25Å; R159-M161 PolarHBondContact O-N 2.9Å |
| 160 | G | 94.2 | Very high | 91.1 | Very high | 60 Ų | 60 | 68 Ų | 68 | 62% | 0.619 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 21.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | M158 Y162 | M158-G160 PolarHBondContact O-N 3.21Å; G160-Y162 VanDerWaalsContact C-N 3.3Å; G160-Y162 PolarHBondContact O-N 3.36Å |
| 161 | M | 97.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | trans | -56.1 | -44.6 | 176.6 | 167.1 | 167.1 | 71.1 | 0 | 0 | 112.2 | H131 M158 R159 A221 R225 V231 | H131-M161 WeakPolarHBondContact CE1-CE 3.28Å; H131-M161 VanDerWaalsContact NE2-CE 3.29Å; H131-M161 WeakPolarHBondContact NE2-CE 3.28Å; M158-M161 WeakPolarHBondContact O-CB 3.49Å; M158-M161 PolarHBondContact O-N 3.1Å; R159-M161 VanDerWaalsContact C-N 3.25Å; R159-M161 PolarHBondContact O-N 2.9Å; M161-A221 HydrophobicContact CE-CB 4.23Å; M161-A221 VanDerWaalsContact SD-C 3.55Å; M161-A221 HydrophobicContact SD-CB 3.95Å; M161-R225 HydrophobicContact CB-CB 4.36Å; M161-R225 HydrophobicContact CB-CG 4.08Å; M161-R225 HydrophobicContact CG-CB 3.82Å; M161-R225 HydrophobicContact CG-CG 4.1Å; M161-R225 HydrophobicContact SD-CB 3.95Å; M161-R225 HydrophobicContact SD-CG 4.44Å; M161-V231 HydrophobicContact CG-CG2 4.41Å; M161-V231 WeakPolarHBondContact O-CB 3.44Å | ||
| 162 | Y | 98.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -86.9 | 114.4 | 175.7 | -57.4 | -75.7 | 0 | 0 | 0 | 110 | V128 H131 G160 E164 A221 V231 A233 | V128-Y162 HydrophobicContact CB-CD1 4.15Å; V128-Y162 HydrophobicContact CB-CD2 4.44Å; V128-Y162 HydrophobicContact CB-CE1 4.04Å; V128-Y162 HydrophobicContact CB-CE2 4.33Å; V128-Y162 HydrophobicContact CB-CG 4.34Å; V128-Y162 HydrophobicContact CG1-CD1 4.29Å; V128-Y162 HydrophobicContact CG1-CD2 3.87Å; V128-Y162 HydrophobicContact CG1-CE1 3.94Å; V128-Y162 HydrophobicContact CG1-CE2 3.45Å; V128-Y162 VanDerWaalsContact CG1-CE2 3.45Å; V128-Y162 HydrophobicContact CG1-CG 4.26Å; V128-Y162 VanDerWaalsContact CG1-CZ 3.49Å; V128-Y162 WeakPolarHBondContact O-CB 3.36Å; H131-Y162 HydrophobicContact CB-CE2 4.13Å; H131-Y162 PolarHBondContact ND1-OH 2.86Å; H131-Y162 VanDerWaalsContact ND1-OH 3.16Å; G160-Y162 VanDerWaalsContact C-N 3.3Å; G160-Y162 PolarHBondContact O-N 3.36Å; Y162-E164 PolarHBondContact O-N 3.45Å; Y162-A221 HydrophobicContact CE1-CB 3.9Å; Y162-V231 CarbonylContact C-O 3.1Å; Y162-V231 WeakPolarHBondContact CA-O 3.41Å; Y162-V231 HydrophobicContact CD1-CB 4.4Å; Y162-V231 HydrophobicContact CD1-CG1 3.85Å; Y162-V231 HydrophobicContact CE1-CG1 3.96Å; Y162-A233 HydrophobicContact CD1-CB 3.98Å; Y162-A233 HydrophobicContact CE1-CB 3.65Å |
| 163 | S | 98.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | trans | -63.7 | 118.7 | -171.9 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | E165 L166 R167 V231 | S163-E165 VanDerWaalsContact C-N 3.26Å; S163-E165 PolarHBondContact O-N 3.02Å; S163-E165 PolarHBondContact OG-N 2.75Å; S163-L166 PolarHBondContact O-N 3.36Å; S163-L166 PolarHBondContact OG-N 3.29Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 3Å; S163-V231 PolarHBondContact N-O 3.21Å | ||
| 164 | E | 98.4 | Very high | 95.2 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 50% | 0.495 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -38.2 | 175.2 | -173.4 | -177.4 | 152.8 | 0 | 0 | 111.7 | Y162 R167 K168 | Y162-E164 PolarHBondContact O-N 3.45Å; E164-R167 PolarHBondContact O-N 3.29Å; E164-K168 HydrophobicContact CG-CD 4.41Å; E164-K168 WeakPolarHBondContact O-CG 3.46Å; E164-K168 PolarHBondContact O-N 3.49Å; E164-K168 WeakPolarHBondContact OE1-CE 3.2Å; E164-K168 IonicContact OE1-NZ 2.82Å; E164-K168 PolarHBondContact OE1-NZ 2.84Å |
| 165 | E | 98.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 65.5 Ų | 65.5 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | -179.6 | -64.7 | -53.3 | 119.6 | 0 | 0 | 111.8 | S163 R167 K168 L169 | S163-E165 VanDerWaalsContact C-N 3.26Å; S163-E165 PolarHBondContact O-N 3.02Å; S163-E165 PolarHBondContact OG-N 2.75Å; E165-R167 VanDerWaalsContact C-N 3.33Å; E165-R167 PolarHBondContact O-N 2.8Å; E165-K168 PolarHBondContact O-N 2.98Å; E165-K168 IonicContact OE1-NZ 2.73Å; E165-K168 PolarHBondContact OE1-NZ 3.16Å; E165-L169 WeakPolarHBondContact O-CB 3.38Å; E165-L169 PolarHBondContact O-N 2.99Å |
| 166 | L | 98.6 | Very high | 96 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 174 | -61.2 | -175.7 | 0 | 0 | 0 | 111.4 | K106 S163 L169 F170 E230 I232 F271 L275 | K106-L166 HydrophobicContact CD-CD2 4.24Å; S163-L166 PolarHBondContact O-N 3.36Å; S163-L166 PolarHBondContact OG-N 3.29Å; L166-L169 PolarHBondContact O-N 3.33Å; L166-F170 WeakPolarHBondContact O-CB 3.46Å; L166-F170 PolarHBondContact O-N 3.23Å; L166-E230 HydrophobicContact CD1-CB 3.86Å; L166-I232 HydrophobicContact CB-CB 3.95Å; L166-I232 HydrophobicContact CB-CD1 4.15Å; L166-I232 HydrophobicContact CB-CG1 4.47Å; L166-I232 HydrophobicContact CB-CG2 4.48Å; L166-I232 HydrophobicContact CD1-CB 4.11Å; L166-I232 HydrophobicContact CD1-CG2 4.15Å; L166-F271 HydrophobicContact CB-CE2 4.49Å; L166-F271 HydrophobicContact CB-CZ 4.22Å; L166-F271 HydrophobicContact CD2-CZ 4.09Å; L166-L275 HydrophobicContact CD2-CD2 3.95Å |
| 167 | R | 98.5 | Very high | 95.7 | Very high | 27 Ų | 27 | 61.7 Ų | 61.7 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 175 | -70.5 | -172.8 | -59.5 | 116.3 | -9.4 | 112.3 | L127 V128 S163 E164 E165 L169 F170 K171 E185 | L127-R167 HydrophobicContact CB-CG 4.14Å; L127-R167 HydrophobicContact CD1-CB 3.95Å; L127-R167 HydrophobicContact CD1-CG 4.22Å; V128-R167 WeakPolarHBondContact O-CD 3.46Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 3Å; E164-R167 PolarHBondContact O-N 3.29Å; E165-R167 VanDerWaalsContact C-N 3.33Å; E165-R167 PolarHBondContact O-N 2.8Å; R167-L169 VanDerWaalsContact C-N 3.35Å; R167-F170 PolarHBondContact O-N 3.23Å; R167-K171 WeakPolarHBondContact O-CG 3.37Å; R167-K171 PolarHBondContact O-N 3.09Å; R167-E185 IonicContact CZ-OE1 2.72Å; R167-E185 IonicContact NH1-OE1 2.84Å; R167-E185 PolarHBondContact NH1-OE1 2.95Å; R167-E185 IonicContact NH1-OE2 3.88Å; R167-E185 PolarHBondContact NH1-OE2 2.74Å |
| 168 | K | 98.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 65.1 Ų | 65.1 | 39% | 0.387 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.9 | -75.9 | 171.8 | -175.1 | 157.6 | 0 | 111.2 | E164 E165 K171 K172 | E164-K168 HydrophobicContact CG-CD 4.41Å; E164-K168 WeakPolarHBondContact O-CG 3.46Å; E164-K168 PolarHBondContact O-N 3.49Å; E164-K168 WeakPolarHBondContact OE1-CE 3.2Å; E164-K168 IonicContact OE1-NZ 2.82Å; E164-K168 PolarHBondContact OE1-NZ 2.84Å; E165-K168 PolarHBondContact O-N 2.98Å; E165-K168 IonicContact OE1-NZ 2.73Å; E165-K168 PolarHBondContact OE1-NZ 3.16Å; K168-K171 PolarHBondContact O-N 2.91Å; K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 PolarHBondContact O-N 3.3Å |
| 169 | L | 98.2 | Very high | 93.7 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 18% | 0.183 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.6 | 179.1 | 60.3 | 0 | 0 | 0 | 111.3 | E165 L166 R167 K171 K172 V173 F271 Q274 L275 | E165-L169 WeakPolarHBondContact O-CB 3.38Å; E165-L169 PolarHBondContact O-N 2.99Å; L166-L169 PolarHBondContact O-N 3.33Å; R167-L169 VanDerWaalsContact C-N 3.35Å; L169-K171 PolarHBondContact O-N 2.98Å; L169-K172 WeakPolarHBondContact O-CB 3.47Å; L169-K172 PolarHBondContact O-N 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 2.9Å; L169-F271 HydrophobicContact CB-CD2 4.42Å; L169-F271 HydrophobicContact CB-CE2 4.07Å; L169-F271 HydrophobicContact CD2-CD2 3.99Å; L169-F271 HydrophobicContact CD2-CE2 3.75Å; L169-F271 HydrophobicContact CG-CD2 3.88Å; L169-F271 HydrophobicContact CG-CE2 3.89Å; L169-Q274 HydrophobicContact CD1-CB 3.94Å; L169-Q274 HydrophobicContact CD2-CB 4.44Å; L169-L275 HydrophobicContact CD2-CD2 3.76Å |
| 170 | F | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 178.5 | -168.1 | -87.3 | 0 | 0 | 0 | 112 | F108 L127 L166 R167 K172 V173 V174 I232 V234 L264 F267 F271 | F108-F170 AromaticContact CE2-CD2 3.9Å; F108-F170 HydrophobicContact CE2-CD2 3.9Å; F108-F170 AromaticContact CE2-CE2 3.73Å; F108-F170 HydrophobicContact CE2-CE2 3.73Å; F108-F170 HydrophobicContact CZ-CD2 4.46Å; F108-F170 AromaticContact CZ-CE2 3.87Å; F108-F170 HydrophobicContact CZ-CE2 3.87Å; L127-F170 HydrophobicContact CD1-CD1 4.32Å; L127-F170 HydrophobicContact CD2-CD1 3.65Å; L127-F170 HydrophobicContact CD2-CE1 4.12Å; L127-F170 HydrophobicContact CD2-CG 4.18Å; L127-F170 HydrophobicContact CG-CD1 4.48Å; L166-F170 WeakPolarHBondContact O-CB 3.46Å; L166-F170 PolarHBondContact O-N 3.23Å; R167-F170 PolarHBondContact O-N 3.23Å; F170-K172 VanDerWaalsContact C-N 3.29Å; F170-K172 PolarHBondContact O-N 3.12Å; F170-V173 WeakPolarHBondContact O-CB 3.49Å; F170-V173 PolarHBondContact O-N 3.25Å; F170-V173 VanDerWaalsContact O-N 3.11Å; F170-V174 HydrophobicContact CD1-CG2 3.86Å; F170-V174 HydrophobicContact CE1-CG2 3.49Å; F170-V174 VanDerWaalsContact CE1-CG2 3.49Å; F170-V174 HydrophobicContact CZ-CG2 4.1Å; F170-V174 WeakPolarHBondContact O-CG2 3.26Å; F170-V174 PolarHBondContact O-N 3.35Å; F170-I232 HydrophobicContact CB-CD1 3.73Å; F170-I232 HydrophobicContact CD2-CD1 4.21Å; F170-I232 HydrophobicContact CG-CD1 4.13Å; F170-V234 HydrophobicContact CD2-CG2 4.45Å; F170-V234 HydrophobicContact CE1-CG1 4.27Å; F170-V234 HydrophobicContact CE1-CG2 4.36Å; F170-V234 HydrophobicContact CE2-CG2 4.2Å; F170-V234 HydrophobicContact CZ-CG1 4.23Å; F170-V234 HydrophobicContact CZ-CG2 4.14Å; F170-L264 HydrophobicContact CE2-CD1 4.28Å; F170-L264 HydrophobicContact CZ-CD1 3.66Å; F170-F267 HydrophobicContact CE2-CB 4.2Å; F170-F267 HydrophobicContact CZ-CB 3.96Å; F170-F271 HydrophobicContact CB-CD2 3.99Å; F170-F271 HydrophobicContact CB-CE2 4.14Å; F170-F271 HydrophobicContact CD2-CB 4.14Å; F170-F271 AromaticContact CD2-CD2 3.92Å; F170-F271 HydrophobicContact CD2-CD2 3.92Å; F170-F271 HydrophobicContact CD2-CG 4.01Å; F170-F271 HydrophobicContact CG-CD2 4.46Å |
| 171 | K | 96.9 | Very high | 93 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.2 | -39.3 | 174.5 | -70.8 | -176.3 | -61.4 | -168.1 | 0 | 112.5 | L127 R167 K168 L169 V173 V174 G175 V183 E185 | L127-K171 HydrophobicContact CD1-CD 4.07Å; L127-K171 HydrophobicContact CD1-CG 3.55Å; R167-K171 WeakPolarHBondContact O-CG 3.37Å; R167-K171 PolarHBondContact O-N 3.09Å; K168-K171 PolarHBondContact O-N 2.91Å; L169-K171 PolarHBondContact O-N 2.98Å; K171-V173 VanDerWaalsContact C-N 3.32Å; K171-V174 PolarHBondContact O-N 3.01Å; K171-G175 PolarHBondContact O-N 3.1Å; K171-V183 HydrophobicContact CG-CG1 4.28Å; K171-E185 VanDerWaalsContact CE-OE1 3.23Å; K171-E185 WeakPolarHBondContact CE-OE1 3.21Å; K171-E185 VanDerWaalsContact NZ-CD 3.3Å; K171-E185 IonicContact NZ-OE1 3.52Å; K171-E185 PolarHBondContact NZ-OE1 2.96Å; K171-E185 IonicContact NZ-OE2 2.86Å |
| 172 | K | 96.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 176.5 | -172.3 | -173.6 | -173.9 | -174.8 | 0 | 111.5 | K168 L169 F170 R176 | K168-K172 WeakPolarHBondContact O-CB 3.38Å; K168-K172 PolarHBondContact O-N 3.3Å; L169-K172 WeakPolarHBondContact O-CB 3.47Å; L169-K172 PolarHBondContact O-N 3.28Å; F170-K172 VanDerWaalsContact C-N 3.29Å; F170-K172 PolarHBondContact O-N 3.12Å; K172-R176 VanDerWaalsContact CE-NH2 3.3Å; K172-R176 WeakPolarHBondContact O-CD 3.35Å; K172-R176 VanDerWaalsContact O-CG 3.28Å; K172-R176 WeakPolarHBondContact O-CG 3.49Å; K172-R176 PolarHBondContact O-N 3.3Å |
| 173 | V | 96 | Very high | 92.7 | Very high | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -52.2 | 175.2 | 168 | 0 | 0 | 0 | 0 | 110.3 | L169 F170 K171 G175 R176 N177 Q270 F271 Q274 | L169-V173 WeakPolarHBondContact O-CG2 3.46Å; L169-V173 PolarHBondContact O-N 2.9Å; F170-V173 WeakPolarHBondContact O-CB 3.49Å; F170-V173 PolarHBondContact O-N 3.25Å; F170-V173 VanDerWaalsContact O-N 3.11Å; K171-V173 VanDerWaalsContact C-N 3.32Å; V173-G175 VanDerWaalsContact C-N 3.35Å; V173-G175 PolarHBondContact O-N 3.08Å; V173-R176 PolarHBondContact O-N 3.09Å; V173-N177 PolarHBondContact O-ND2 3.39Å; V173-Q270 HydrophobicContact CG1-CB 3.53Å; V173-F271 HydrophobicContact CG2-CB 4.47Å; V173-Q274 HydrophobicContact CG2-CG 4.3Å |
| 174 | V | 95.1 | Very high | 92.7 | Very high | 7 Ų | 7 | 70.9 Ų | 70.9 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | F170 K171 R176 N177 V181 V183 F267 | F170-V174 HydrophobicContact CD1-CG2 3.86Å; F170-V174 HydrophobicContact CE1-CG2 3.49Å; F170-V174 VanDerWaalsContact CE1-CG2 3.49Å; F170-V174 HydrophobicContact CZ-CG2 4.1Å; F170-V174 WeakPolarHBondContact O-CG2 3.26Å; F170-V174 PolarHBondContact O-N 3.35Å; K171-V174 PolarHBondContact O-N 3.01Å; V174-R176 PolarHBondContact O-N 2.86Å; V174-R176 VanDerWaalsContact O-N 3.16Å; V174-N177 WeakPolarHBondContact O-CB 3.37Å; V174-N177 PolarHBondContact O-N 2.98Å; V174-V181 HydrophobicContact CG1-CG2 3.69Å; V174-V183 HydrophobicContact CB-CG2 4.11Å; V174-V183 HydrophobicContact CG1-CG2 3.65Å; V174-V183 HydrophobicContact CG2-CG2 4.14Å; V174-F267 HydrophobicContact CG1-CE1 4.47Å; V174-F267 HydrophobicContact CG1-CE2 4.09Å; V174-F267 HydrophobicContact CG1-CZ 4.07Å; V174-F267 HydrophobicContact CG2-CB 4.21Å; V174-F267 HydrophobicContact CG2-CD1 4.25Å; V174-F267 HydrophobicContact CG2-CD2 3.75Å; V174-F267 HydrophobicContact CG2-CE2 4.15Å; V174-F267 HydrophobicContact CG2-CG 3.81Å |
| 175 | G | 93.2 | Very high | 92.7 | Very high | 67 Ų | 67 | 69.3 Ų | 69.3 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -68.2 | -12 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K171 V173 | K171-G175 PolarHBondContact O-N 3.1Å; V173-G175 VanDerWaalsContact C-N 3.35Å; V173-G175 PolarHBondContact O-N 3.08Å |
| 176 | R | 90.4 | Very high | 92.7 | Very high | 140 Ų | 140 | 63.9 Ų | 63.9 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -84.1 | -20.8 | 170.8 | -77 | 167.9 | 170.6 | 178.5 | -7.1 | 112.7 | K172 V173 V174 | K172-R176 VanDerWaalsContact CE-NH2 3.3Å; K172-R176 WeakPolarHBondContact O-CD 3.35Å; K172-R176 VanDerWaalsContact O-CG 3.28Å; K172-R176 WeakPolarHBondContact O-CG 3.49Å; K172-R176 PolarHBondContact O-N 3.3Å; V173-R176 PolarHBondContact O-N 3.09Å; V174-R176 PolarHBondContact O-N 2.86Å; V174-R176 VanDerWaalsContact O-N 3.16Å |
| 177 | N | 83.3 | Confident | 92.6 | Very high | 39 Ų | 39 | 69.1 Ų | 69.1 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -82.6 | 136 | 175.9 | -68.1 | -83.1 | 0 | 0 | 0 | 107.9 | V173 V174 T179 F267 Q270 | V173-N177 PolarHBondContact O-ND2 3.39Å; V174-N177 WeakPolarHBondContact O-CB 3.37Å; V174-N177 PolarHBondContact O-N 2.98Å; N177-T179 HydrophobicContact CB-CG2 3.98Å; N177-T179 PolarHBondContact O-N 3.19Å; N177-F267 HydrophobicContact CB-CE1 3.76Å; N177-Q270 PolarHBondContact ND2-OE1 3.31Å; N177-Q270 PolarHBondContact OD1-NE2 3.1Å; N177-Q270 VanDerWaalsContact OD1-NE2 3.13Å; N177-Q270 PolarHBondContact OD1-OE1 3.04Å |
| 178 | D | 70.6 | Confident | 92.6 | Very high | 173 Ų | 173 | 68 Ų | 68 | 93% | 0.925 | 33% | 0.329 | S | S | * | . | trans | -76.3 | 43.1 | 178.2 | -164.1 | 19 | 0 | 0 | 0 | 111.5 | ||||
| 179 | T | 75.2 | Confident | 92.6 | Very high | 48 Ų | 48 | 63.8 Ų | 63.8 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | trans | -103.5 | 126.4 | -175.5 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | N177 V181 F267 | N177-T179 HydrophobicContact CB-CG2 3.98Å; N177-T179 PolarHBondContact O-N 3.19Å; T179-V181 PolarHBondContact O-N 2.72Å; T179-V181 VanDerWaalsContact OG1-CG2 3.28Å; T179-V181 WeakPolarHBondContact OG1-CG2 3.45Å; T179-F267 HydrophobicContact CG2-CE1 4.41Å; T179-F267 HydrophobicContact CG2-CZ 4.22Å | ||
| 180 | K | 83.3 | Confident | 92.5 | Very high | 213 Ų | 213 | 62.4 Ų | 62.4 | 93% | 0.926 | 30% | 0.304 | S | S | * | . | trans | -71.5 | 19 | 177.4 | -66.3 | -177.6 | 178.7 | 176.8 | 0 | 114 | ||||
| 181 | V | 90.5 | Very high | 92.4 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 23% | 0.23 | 31% | 0.309 | C | S | . | . | trans | -70.7 | 141.8 | -179.2 | -76.7 | 0 | 0 | 0 | 0 | 110.8 | Y125 V174 T179 F267 | Y125-V181 HydrophobicContact CD2-CB 4.35Å; Y125-V181 HydrophobicContact CE2-CB 3.89Å; Y125-V181 HydrophobicContact CE2-CG1 3.88Å; Y125-V181 HydrophobicContact CE2-CG2 4.32Å; V174-V181 HydrophobicContact CG1-CG2 3.69Å; T179-V181 PolarHBondContact O-N 2.72Å; T179-V181 VanDerWaalsContact OG1-CG2 3.28Å; T179-V181 WeakPolarHBondContact OG1-CG2 3.45Å; V181-F267 HydrophobicContact CG2-CE2 3.87Å; V181-F267 HydrophobicContact CG2-CZ 3.73Å | ||
| 182 | R | 93.7 | Very high | 92.3 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | trans | -98.3 | 131.7 | 176.2 | -64 | -177.4 | -64.3 | -170.3 | -2.5 | 109.5 | S121 D124 Y125 | S121-R182 PolarHBondContact OG-NH2 2.93Å; D124-R182 IonicContact OD1-CZ 3.32Å; D124-R182 VanDerWaalsContact OD1-CZ 3.32Å; D124-R182 IonicContact OD1-NE 2.88Å; D124-R182 PolarHBondContact OD1-NE 3.45Å; D124-R182 IonicContact OD1-NH2 2.88Å; D124-R182 PolarHBondContact OD1-NH2 3.39Å; D124-R182 IonicContact OD2-CZ 3.4Å; D124-R182 IonicContact OD2-NE 3.35Å; D124-R182 PolarHBondContact OD2-NE 3.09Å; D124-R182 IonicContact OD2-NH2 3.06Å; D124-R182 PolarHBondContact OD2-NH2 2.91Å; Y125-R182 PolarHBondContact N-O 2.83Å | ||
| 183 | V | 96.4 | Very high | 92 | Very high | 39 Ų | 39 | 57.6 Ų | 57.6 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111 | 175 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | Y125 L127 K171 V174 | Y125-V183 HydrophobicContact CD2-CG2 4.14Å; Y125-V183 WeakPolarHBondContact O-CA 3.43Å; L127-V183 HydrophobicContact CD1-CG1 3.97Å; L127-V183 HydrophobicContact CD2-CG1 4.47Å; L127-V183 HydrophobicContact CG-CG1 3.78Å; K171-V183 HydrophobicContact CG-CG1 4.28Å; V174-V183 HydrophobicContact CB-CG2 4.11Å; V174-V183 HydrophobicContact CG1-CG2 3.65Å; V174-V183 HydrophobicContact CG2-CG2 4.14Å |
| 184 | H | 97.6 | Very high | 91.7 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 17% | 0.167 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 170.2 | 176.1 | -55.7 | -72.2 | 0 | 0 | 0 | 111.1 | Y120 D124 Y125 M126 L127 | Y120-H184 HydrophobicContact CD1-CB 4.12Å; Y120-H184 AromaticContact CD1-CD2 3.52Å; Y120-H184 AromaticContact CD1-CE1 3.67Å; Y120-H184 AromaticContact CD1-CG 3.48Å; Y120-H184 VanDerWaalsContact CD1-CG 3.48Å; Y120-H184 AromaticContact CD1-ND1 3.61Å; Y120-H184 AromaticContact CD1-NE2 3.63Å; Y120-H184 HydrophobicContact CE1-CB 3.56Å; Y120-H184 AromaticContact CE1-CD2 3.9Å; Y120-H184 AromaticContact CE1-CG 3.38Å; Y120-H184 AromaticContact CE1-ND1 3.54Å; Y120-H184 HydrophobicContact CE2-CB 4.13Å; Y120-H184 AromaticContact CG-CD2 3.77Å; Y120-H184 AromaticContact CZ-CG 3.9Å; D124-H184 IonicContact OD2-CD2 3.27Å; D124-H184 IonicContact OD2-CE1 2.95Å; D124-H184 IonicContact OD2-NE2 3.36Å; D124-H184 PolarHBondContact OD2-NE2 3.19Å; Y125-H184 PolarHBondContact O-CD2 2.8Å; Y125-H184 PolarHBondContact O-N 2.77Å; M126-H184 WeakPolarHBondContact CA-O 3.29Å; M126-H184 HydrophobicContact CB-CB 4.33Å; M126-H184 HydrophobicContact CG-CB 4.35Å; L127-H184 PolarHBondContact N-O 3.22Å |
| 185 | E | 98.2 | Very high | 91.5 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.3 | 167.1 | -61.3 | -160.4 | 147.3 | 0 | 0 | 108.3 | Y120 L127 T129 R167 K171 | Y120-E185 PolarHBondContact OH-O 3.46Å; Y120-E185 VanDerWaalsContact OH-O 3.11Å; L127-E185 HydrophobicContact CB-CG 4.34Å; L127-E185 WeakPolarHBondContact O-CA 3.13Å; T129-E185 HydrophobicContact CG2-CB 3.66Å; T129-E185 HydrophobicContact CG2-CG 4.42Å; R167-E185 IonicContact CZ-OE1 2.72Å; R167-E185 IonicContact NH1-OE1 2.84Å; R167-E185 PolarHBondContact NH1-OE1 2.95Å; R167-E185 IonicContact NH1-OE2 3.88Å; R167-E185 PolarHBondContact NH1-OE2 2.74Å; K171-E185 VanDerWaalsContact CE-OE1 3.23Å; K171-E185 WeakPolarHBondContact CE-OE1 3.21Å; K171-E185 VanDerWaalsContact NZ-CD 3.3Å; K171-E185 IonicContact NZ-OE1 3.52Å; K171-E185 PolarHBondContact NZ-OE1 2.96Å; K171-E185 IonicContact NZ-OE2 2.86Å |
| 186 | G | 98.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | -175.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M126 L127 T129 D211 | M126-G186 VanDerWaalsContact SD-CA 3.57Å; L127-G186 PolarHBondContact O-N 3.34Å; T129-G186 PolarHBondContact N-O 3.36Å; T129-G186 PolarHBondContact OG1-O 2.79Å; G186-D211 VanDerWaalsContact CA-OD2 3.22Å; G186-D211 WeakPolarHBondContact CA-OD2 3.15Å |
| 187 | R | 98.3 | Very high | 91.3 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 44% | 0.442 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.2 | -178.2 | -55.4 | -173.9 | -174.1 | 80.2 | 2.5 | 110.6 | D130 G209 D211 A212 | D130-R187 HydrophobicContact CB-CG 4.23Å; D130-R187 VanDerWaalsContact O-CA 3.31Å; D130-R187 WeakPolarHBondContact O-CA 3.09Å; R187-G209 WeakPolarHBondContact CD-O 3.17Å; R187-D211 PolarHBondContact N-OD2 2.87Å; R187-D211 PolarHBondContact O-N 2.86Å; R187-A212 PolarHBondContact O-N 2.9Å |
| 188 | Y | 98.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.7 | 179.4 | -179.2 | -95.4 | 0 | 0 | 0 | 110.9 | T111 A113 D130 H131 L132 F190 A212 G214 M215 D216 T235 | T111-Y188 HydrophobicContact CG2-CE2 4.3Å; A113-Y188 HydrophobicContact CB-CD2 4.26Å; A113-Y188 HydrophobicContact CB-CE2 3.83Å; D130-Y188 PolarHBondContact O-N 3.18Å; H131-Y188 CarbonylContact C-O 3.55Å; H131-Y188 WeakPolarHBondContact CA-O 3.1Å; H131-Y188 WeakPolarHBondContact CB-O 3.42Å; L132-Y188 PolarHBondContact N-O 2.94Å; Y188-F190 HydrophobicContact CD1-CB 4.1Å; Y188-F190 HydrophobicContact CE1-CB 3.78Å; Y188-A212 HydrophobicContact CD2-CB 4.38Å; Y188-G214 WeakPolarHBondContact OH-CA 3.36Å; Y188-M215 PolarHBondContact OH-N 2.62Å; Y188-D216 VanDerWaalsContact CE1-O 3.29Å; Y188-D216 WeakPolarHBondContact CE1-O 3.49Å; Y188-D216 PolarHBondContact OH-N 3.48Å; Y188-D216 PolarHBondContact OH-O 3.18Å; Y188-D216 PolarHBondContact OH-OD1 3.3Å; Y188-T235 HydrophobicContact CD2-CG2 3.86Å; Y188-T235 HydrophobicContact CE2-CG2 4.12Å |
| 189 | A | 97.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 112.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L132 L205 A210 A212 V213 G214 | L132-A189 HydrophobicContact CB-CB 4.42Å; A189-L205 HydrophobicContact CB-CD1 4.14Å; A189-L205 HydrophobicContact CB-CD2 3.96Å; A189-L205 HydrophobicContact CB-CG 4.44Å; A189-A210 HydrophobicContact CB-CB 3.73Å; A189-A212 PolarHBondContact N-O 2.98Å; A189-V213 HydrophobicContact CB-CB 4.09Å; A189-V213 HydrophobicContact CB-CG2 4.1Å; A189-V213 WeakPolarHBondContact O-CA 3.43Å; A189-V213 WeakPolarHBondContact O-CG2 3.24Å; A189-G214 PolarHBondContact O-N 2.83Å |
| 190 | F | 96.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.9 | 170.7 | 172.6 | -130.4 | 0 | 0 | 0 | 109.5 | L132 H133 M134 P135 Y188 M215 D216 D219 | L132-F190 PolarHBondContact O-N 2.9Å; H133-F190 AromaticContact CD2-CD1 3.88Å; H133-F190 AromaticContact CE1-CD1 3.45Å; H133-F190 VanDerWaalsContact CE1-CD1 3.45Å; H133-F190 WeakPolarHBondContact CE1-CD1 3.14Å; H133-F190 AromaticContact CE1-CE1 3.37Å; H133-F190 WeakPolarHBondContact CE1-CE1 3.46Å; H133-F190 AromaticContact CG-CD1 3.89Å; H133-F190 AromaticContact ND1-CD1 3.6Å; H133-F190 AromaticContact ND1-CE1 3.95Å; H133-F190 AromaticContact NE2-CD1 3.63Å; H133-F190 AromaticContact NE2-CE1 3.66Å; M134-F190 VanDerWaalsContact CB-O 3.29Å; M134-F190 WeakPolarHBondContact CB-O 3.19Å; M134-F190 WeakPolarHBondContact CG-O 3.43Å; M134-F190 PolarHBondContact N-O 3.14Å; M134-F190 VanDerWaalsContact N-O 3.08Å; P135-F190 VanDerWaalsContact CD-O 3.3Å; P135-F190 WeakPolarHBondContact CD-O 3.31Å; P135-F190 HydrophobicContact CG-CD1 4.16Å; P135-F190 HydrophobicContact CG-CE1 3.85Å; P135-F190 HydrophobicContact CG-CZ 4.35Å; Y188-F190 HydrophobicContact CD1-CB 4.1Å; Y188-F190 HydrophobicContact CE1-CB 3.78Å; F190-M215 VanDerWaalsContact CE2-C 3.46Å; F190-M215 WeakPolarHBondContact CE2-O 3.33Å; F190-D216 WeakPolarHBondContact CD2-O 3.28Å; F190-D219 HydrophobicContact CE1-CB 4.3Å; F190-D219 WeakPolarHBondContact CE1-OD2 3.29Å; F190-D219 HydrophobicContact CZ-CB 4.46Å; F190-D219 VanDerWaalsContact CZ-OD2 3.26Å; F190-D219 WeakPolarHBondContact CZ-OD2 3.45Å |
| 191 | I | 95.8 | Very high | 94.3 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | trans | -119.9 | 164.2 | 178.8 | 60.9 | 165.9 | 0 | 0 | 0 | 111.4 | M134 P197 L205 V213 G214 M215 | M134-I191 HydrophobicContact CB-CG2 4.4Å; M134-I191 HydrophobicContact CG-CG2 4.06Å; I191-P197 HydrophobicContact CD1-CG 3.45Å; I191-P197 VanDerWaalsContact CD1-CG 3.45Å; I191-L205 HydrophobicContact CG2-CD1 4.13Å; I191-V213 HydrophobicContact CD1-CG2 3.79Å; I191-V213 HydrophobicContact CG1-CG2 3.92Å; I191-V213 HydrophobicContact CG2-CG2 4.09Å; I191-G214 VanDerWaalsContact CG1-O 3.28Å; I191-G214 WeakPolarHBondContact CG1-O 3.44Å; I191-G214 PolarHBondContact N-O 2.82Å; I191-M215 HydrophobicContact CD1-CE 4.28Å; I191-M215 HydrophobicContact CD1-CG 4.29Å; I191-M215 HydrophobicContact CG1-CG 3.99Å; I191-M215 WeakPolarHBondContact O-CA 3.27Å | ||
| 192 | G | 92.9 | Very high | 94.4 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | trans | -75.5 | -28.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y84 | Y84-G192 WeakPolarHBondContact CB-O 3.22Š| ||
| 193 | G | 90.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 33% | 0.33 | 32% | 0.318 | S | S | . | . | trans | 61.8 | -170.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114 | A195 M215 | G193-A195 VanDerWaalsContact C-N 3.35Å; G193-M215 VanDerWaalsContact CA-SD 3.5Å | ||
| 194 | P | 91 | Very high | 94.5 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 60% | 0.597 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -84.8 | -7.4 | -5.1 | 34.9 | -32.8 | 0 | 0 | 0 | 112.8 | Y84 C196 | Y84-P194 HydrophobicContact CD2-CB 4.14Å; Y84-P194 HydrophobicContact CG-CB 4.06Å; P194-C196 PolarHBondContact O-N 3.48Å |
| 195 | A | 89.9 | Confident | 94.4 | Very high | 77 Ų | 77 | 55.2 Ų | 55.2 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -63.5 | 131.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | G193 M215 | G193-A195 VanDerWaalsContact C-N 3.35Å; A195-M215 WeakPolarHBondContact O-CE 3.42Å |
| 196 | C | 88.4 | Confident | 94.3 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 48% | 0.48 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 139.8 | 168.4 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | P194 I241 | P194-C196 PolarHBondContact O-N 3.48Å; C196-I241 WeakPolarHBondContact CB-O 3.14Å |
| 197 | P | 91.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 141.4 | -179 | -18.7 | 32.8 | 0 | 0 | 0 | 111.4 | I191 E201 L202 | I191-P197 HydrophobicContact CD1-CG 3.45Å; I191-P197 VanDerWaalsContact CD1-CG 3.45Å; P197-E201 WeakPolarHBondContact CA-OE2 3.39Å; P197-E201 HydrophobicContact CB-CB 3.81Å; P197-L202 HydrophobicContact CB-CD2 3.71Å; P197-L202 HydrophobicContact CB-CG 4.02Å; P197-L202 HydrophobicContact CG-CD2 3.93Å |
| 198 | T | 92.2 | Very high | 94.2 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 158.7 | 169.1 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | A200 E201 L202 | T198-A200 PolarHBondContact O-N 3.38Å; T198-A200 VanDerWaalsContact O-N 3.11Å; T198-E201 WeakPolarHBondContact CB-OE2 3.47Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.35Å; T198-E201 PolarHBondContact N-OE2 3.47Å; T198-E201 PolarHBondContact O-N 3.41Å; T198-E201 VanDerWaalsContact OG1-CG 3.31Å; T198-E201 WeakPolarHBondContact OG1-CG 3.2Å; T198-E201 PolarHBondContact OG1-N 3.11Å; T198-E201 PolarHBondContact OG1-OE2 3.3Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 3Å |
| 199 | P | 91.4 | Very high | 94.1 | Very high | 102 Ų | 102 | 58.6 Ų | 58.6 | 66% | 0.662 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -55.2 | -31.9 | 174.3 | -28.1 | 35.8 | 0 | 0 | 0 | 113.9 | K203 | P199-K203 WeakPolarHBondContact O-CB 3.47Å; P199-K203 PolarHBondContact O-N 3.26Å |
| 200 | A | 94.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 60% | 0.595 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.2 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T198 K203 F204 | T198-A200 PolarHBondContact O-N 3.38Å; T198-A200 VanDerWaalsContact O-N 3.11Å; A200-K203 PolarHBondContact O-N 2.95Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 3.24Å |
| 201 | E | 95.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 175.6 | -71.3 | 161.7 | 148.1 | 0 | 0 | 111.5 | P197 T198 K203 F204 L205 | P197-E201 WeakPolarHBondContact CA-OE2 3.39Å; P197-E201 HydrophobicContact CB-CB 3.81Å; T198-E201 WeakPolarHBondContact CB-OE2 3.47Å; T198-E201 WeakPolarHBondContact CG2-OE2 3.35Å; T198-E201 PolarHBondContact N-OE2 3.47Å; T198-E201 PolarHBondContact O-N 3.41Å; T198-E201 VanDerWaalsContact OG1-CG 3.31Å; T198-E201 WeakPolarHBondContact OG1-CG 3.2Å; T198-E201 PolarHBondContact OG1-N 3.11Å; T198-E201 PolarHBondContact OG1-OE2 3.3Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.8Å; E201-F204 WeakPolarHBondContact O-CB 3.29Å; E201-F204 PolarHBondContact O-N 3Å; E201-F204 VanDerWaalsContact O-N 3.16Å; E201-L205 WeakPolarHBondContact O-CG 3.44Å; E201-L205 PolarHBondContact O-N 3.27Å |
| 202 | L | 94.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 173.8 | -63.3 | 177.9 | 0 | 0 | 0 | 111.7 | L116 P197 T198 L205 R206 V213 I241 | L116-L202 HydrophobicContact CD2-CB 4.13Å; L116-L202 HydrophobicContact CD2-CD2 3.79Å; P197-L202 HydrophobicContact CB-CD2 3.71Å; P197-L202 HydrophobicContact CB-CG 4.02Å; P197-L202 HydrophobicContact CG-CD2 3.93Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 3Å; L202-L205 PolarHBondContact O-N 3.36Å; L202-R206 WeakPolarHBondContact O-CB 3.37Å; L202-R206 PolarHBondContact O-N 3.4Å; L202-V213 HydrophobicContact CD2-CG1 4.3Å; L202-I241 HydrophobicContact CD2-CD1 3.42Å; L202-I241 VanDerWaalsContact CD2-CD1 3.42Å |
| 203 | K | 94.2 | Very high | 94.4 | Very high | 131 Ų | 131 | 56.6 Ų | 56.6 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 174.9 | -174.1 | 179.6 | 179.3 | -176.7 | 0 | 111 | P199 A200 E201 S207 | P199-K203 WeakPolarHBondContact O-CB 3.47Å; P199-K203 PolarHBondContact O-N 3.26Å; A200-K203 PolarHBondContact O-N 2.95Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 2.8Å; K203-S207 VanDerWaalsContact O-CB 3.29Å; K203-S207 WeakPolarHBondContact O-CB 3.3Å; K203-S207 PolarHBondContact O-N 2.86Å; K203-S207 PolarHBondContact O-OG 3.45Å |
| 204 | F | 96.6 | Very high | 94.6 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -52.1 | 176.4 | 167.3 | -96.2 | 0 | 0 | 0 | 111.6 | M134 A200 E201 R206 S207 A208 | M134-F204 HydrophobicContact CE-CE1 3.73Å; M134-F204 HydrophobicContact CE-CZ 4.33Å; A200-F204 WeakPolarHBondContact O-CB 3.45Å; A200-F204 PolarHBondContact O-N 3.24Å; E201-F204 WeakPolarHBondContact O-CB 3.29Å; E201-F204 PolarHBondContact O-N 3Å; E201-F204 VanDerWaalsContact O-N 3.16Å; F204-R206 VanDerWaalsContact C-N 3.33Å; F204-R206 PolarHBondContact O-N 3.46Å; F204-S207 CarbonylContact O-C 3.54Å; F204-S207 PolarHBondContact O-N 2.86Å; F204-S207 VanDerWaalsContact O-N 3.12Å; F204-A208 WeakPolarHBondContact O-CB 3.48Å; F204-A208 PolarHBondContact O-N 3.08Å |
| 205 | L | 96.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | -179.1 | -67 | 175.6 | 0 | 0 | 0 | 111.7 | L116 M134 A189 I191 E201 L202 A208 G209 A210 V213 | L116-L205 HydrophobicContact CD1-CB 3.74Å; M134-L205 HydrophobicContact CG-CD2 4.2Å; M134-L205 HydrophobicContact SD-CD2 4.18Å; A189-L205 HydrophobicContact CB-CD1 4.14Å; A189-L205 HydrophobicContact CB-CD2 3.96Å; A189-L205 HydrophobicContact CB-CG 4.44Å; I191-L205 HydrophobicContact CG2-CD1 4.13Å; E201-L205 WeakPolarHBondContact O-CG 3.44Å; E201-L205 PolarHBondContact O-N 3.27Å; L202-L205 PolarHBondContact O-N 3.36Å; L205-A208 CarbonylContact O-C 3.51Å; L205-A208 WeakPolarHBondContact O-CB 3.5Å; L205-A208 PolarHBondContact O-N 2.95Å; L205-G209 PolarHBondContact O-N 2.86Å; L205-A210 HydrophobicContact CB-CB 4.4Å; L205-A210 WeakPolarHBondContact O-CB 3.49Å; L205-A210 PolarHBondContact O-N 2.87Å; L205-V213 HydrophobicContact CD1-CB 4.22Å; L205-V213 HydrophobicContact CD1-CG2 3.67Å |
| 206 | R | 95.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 174.8 | -173.9 | 177.3 | 63.2 | -143.8 | -7.3 | 112 | L116 L202 F204 A208 G209 | L116-R206 HydrophobicContact CB-CB 4.39Å; L116-R206 VanDerWaalsContact O-CD 3.25Å; L116-R206 WeakPolarHBondContact O-CD 3.4Å; L202-R206 WeakPolarHBondContact O-CB 3.37Å; L202-R206 PolarHBondContact O-N 3.4Å; F204-R206 VanDerWaalsContact C-N 3.33Å; F204-R206 PolarHBondContact O-N 3.46Å; R206-A208 PolarHBondContact O-N 3.47Å; R206-G209 WeakPolarHBondContact O-CA 3.39Å; R206-G209 PolarHBondContact O-N 2.74Å |
| 207 | S | 96.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 46 Ų | 46 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.9 | -27.2 | 175.7 | -75.6 | 0 | 0 | 0 | 0 | 112.8 | K203 F204 G209 | K203-S207 VanDerWaalsContact O-CB 3.29Å; K203-S207 WeakPolarHBondContact O-CB 3.3Å; K203-S207 PolarHBondContact O-N 2.86Å; K203-S207 PolarHBondContact O-OG 3.45Å; F204-S207 CarbonylContact O-C 3.54Å; F204-S207 PolarHBondContact O-N 2.86Å; F204-S207 VanDerWaalsContact O-N 3.12Å; S207-G209 PolarHBondContact O-N 3.1Å |
| 208 | A | 97.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -1.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L132 F204 L205 R206 | L132-A208 HydrophobicContact CD1-CB 3.77Å; F204-A208 WeakPolarHBondContact O-CB 3.48Å; F204-A208 PolarHBondContact O-N 3.08Å; L205-A208 CarbonylContact O-C 3.51Å; L205-A208 WeakPolarHBondContact O-CB 3.5Å; L205-A208 PolarHBondContact O-N 2.95Å; R206-A208 PolarHBondContact O-N 3.47Å |
| 209 | G | 97.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 13.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R187 L205 R206 S207 | R187-G209 WeakPolarHBondContact CD-O 3.17Å; L205-G209 PolarHBondContact O-N 2.86Å; R206-G209 WeakPolarHBondContact O-CA 3.39Å; R206-G209 PolarHBondContact O-N 2.74Å; S207-G209 PolarHBondContact O-N 3.1Å |
| 210 | A | 98 | Very high | 95.7 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | trans | -74.4 | 138.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | L116 L132 A189 L205 | L116-A210 WeakPolarHBondContact CB-O 3.32Å; L116-A210 HydrophobicContact CD1-CB 3.65Å; L132-A210 HydrophobicContact CD1-CB 3.99Å; A189-A210 HydrophobicContact CB-CB 3.73Å; L205-A210 HydrophobicContact CB-CB 4.4Å; L205-A210 WeakPolarHBondContact O-CB 3.49Å; L205-A210 PolarHBondContact O-N 2.87Å | ||
| 211 | D | 97.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -99.5 | -28.1 | 178.9 | -62.2 | -71.1 | 0 | 0 | 0 | 112.2 | L116 N117 Y120 M126 G186 R187 | L116-D211 WeakPolarHBondContact CB-O 3.29Å; L116-D211 PolarHBondContact N-O 2.92Å; N117-D211 HydrophobicContact CB-CB 3.97Å; N117-D211 PolarHBondContact N-O 3.39Å; N117-D211 PolarHBondContact ND2-OD1 2.92Å; Y120-D211 HydrophobicContact CE2-CB 3.66Å; M126-D211 HydrophobicContact SD-CB 3.92Å; G186-D211 VanDerWaalsContact CA-OD2 3.22Å; G186-D211 WeakPolarHBondContact CA-OD2 3.15Å; R187-D211 PolarHBondContact N-OD2 2.87Å; R187-D211 PolarHBondContact O-N 2.86Å |
| 212 | A | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 161.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | A113 G114 M126 R187 Y188 A189 M237 | A113-A212 HydrophobicContact CB-CB 3.86Å; G114-A212 CarbonylContact O-C 3.51Å; G114-A212 VanDerWaalsContact O-CA 3.23Å; G114-A212 WeakPolarHBondContact O-CA 3.05Å; M126-A212 HydrophobicContact CE-CB 3.56Å; M126-A212 HydrophobicContact SD-CB 4Å; R187-A212 PolarHBondContact O-N 2.9Å; Y188-A212 HydrophobicContact CD2-CB 4.38Å; A189-A212 PolarHBondContact N-O 2.98Å; A212-M237 HydrophobicContact CB-CE 3.79Å; A212-M237 HydrophobicContact CB-SD 4.08Å |
| 213 | V | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.7 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | A113 G114 L116 A189 I191 L202 L205 I241 | A113-V213 WeakPolarHBondContact CA-O 3.27Å; G114-V213 PolarHBondContact N-O 3.02Å; G114-V213 PolarHBondContact O-N 2.98Å; L116-V213 HydrophobicContact CD1-CB 3.97Å; L116-V213 HydrophobicContact CD1-CG1 4.12Å; L116-V213 HydrophobicContact CD2-CG1 4.09Å; L116-V213 HydrophobicContact CG-CB 4.35Å; L116-V213 HydrophobicContact CG-CG1 3.96Å; A189-V213 HydrophobicContact CB-CB 4.09Å; A189-V213 HydrophobicContact CB-CG2 4.1Å; A189-V213 WeakPolarHBondContact O-CA 3.43Å; A189-V213 WeakPolarHBondContact O-CG2 3.24Å; I191-V213 HydrophobicContact CD1-CG2 3.79Å; I191-V213 HydrophobicContact CG1-CG2 3.92Å; I191-V213 HydrophobicContact CG2-CG2 4.09Å; L202-V213 HydrophobicContact CD2-CG1 4.3Å; L205-V213 HydrophobicContact CD1-CB 4.22Å; L205-V213 HydrophobicContact CD1-CG2 3.67Å; V213-I241 HydrophobicContact CG1-CD1 3.24Å; V213-I241 HydrophobicContact CG1-CG1 4.28Å; V213-I241 HydrophobicContact CG1-CG2 4.49Å |
| 214 | G | 95 | Very high | 96.1 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | -175.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y188 A189 I191 | Y188-G214 WeakPolarHBondContact OH-CA 3.36Å; A189-G214 PolarHBondContact O-N 2.83Å; I191-G214 VanDerWaalsContact CG1-O 3.28Å; I191-G214 WeakPolarHBondContact CG1-O 3.44Å; I191-G214 PolarHBondContact N-O 2.82Å |
| 215 | M | 93.8 | Very high | 96 | Very high | 31 Ų | 31 | 21.1 Ų | 21.1 | 15% | 0.153 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -116.6 | 18.4 | -166.6 | -55.4 | 177.5 | -174.6 | 0 | 0 | 112.7 | Y84 Y188 F190 I191 G193 A195 I241 | Y84-M215 HydrophobicContact CD1-CB 4.05Å; Y84-M215 HydrophobicContact CD1-SD 4.42Å; Y84-M215 HydrophobicContact CE1-CB 3.61Å; Y84-M215 HydrophobicContact CE1-SD 4.27Å; Y188-M215 PolarHBondContact OH-N 2.62Å; F190-M215 VanDerWaalsContact CE2-C 3.46Å; F190-M215 WeakPolarHBondContact CE2-O 3.33Å; I191-M215 HydrophobicContact CD1-CE 4.28Å; I191-M215 HydrophobicContact CD1-CG 4.29Å; I191-M215 HydrophobicContact CG1-CG 3.99Å; I191-M215 WeakPolarHBondContact O-CA 3.27Å; G193-M215 VanDerWaalsContact CA-SD 3.5Å; A195-M215 WeakPolarHBondContact O-CE 3.42Å; M215-I241 HydrophobicContact CE-CG2 4.35Å |
| 216 | D | 93 | Very high | 95.9 | Very high | 12 Ų | 12 | 21.2 Ų | 21.2 | 6% | 0.064 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -145.8 | 177.3 | -176.4 | 73.2 | -10.9 | 0 | 0 | 0 | 110.7 | S28 R80 T111 Y188 F190 G218 | S28-D216 PolarHBondContact OG-OD2 2.72Å; R80-D216 IonicContact CZ-OD2 2.7Å; R80-D216 IonicContact NH1-OD2 3.51Å; R80-D216 PolarHBondContact NH1-OD2 3.31Å; R80-D216 IonicContact NH2-OD2 3.6Å; T111-D216 VanDerWaalsContact CB-OD1 3.27Å; T111-D216 WeakPolarHBondContact CB-OD1 3.48Å; T111-D216 WeakPolarHBondContact CB-OD2 3.36Å; T111-D216 PolarHBondContact OG1-OD1 2.88Å; T111-D216 PolarHBondContact OG1-OD2 3.16Å; Y188-D216 VanDerWaalsContact CE1-O 3.29Å; Y188-D216 WeakPolarHBondContact CE1-O 3.49Å; Y188-D216 PolarHBondContact OH-N 3.48Å; Y188-D216 PolarHBondContact OH-O 3.18Å; Y188-D216 PolarHBondContact OH-OD1 3.3Å; F190-D216 WeakPolarHBondContact CD2-O 3.28Å; D216-G218 PolarHBondContact O-N 3.41Å |
| 217 | A | 94.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 74.3 | -25.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L109 T111 E220 A221 | L109-A217 HydrophobicContact CB-CB 4.43Å; L109-A217 HydrophobicContact CD1-CB 4.25Å; T111-A217 HydrophobicContact CG2-CB 4.49Å; A217-E220 WeakPolarHBondContact CA-OE2 3.23Å; A217-E220 PolarHBondContact N-OE2 3.2Å; A217-E220 VanDerWaalsContact N-OE2 3.09Å; A217-A221 WeakPolarHBondContact O-CB 3.44Å; A217-A221 PolarHBondContact O-N 2.84Å |
| 218 | G | 95.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D216 M222 | D216-G218 PolarHBondContact O-N 3.41Å; G218-M222 WeakPolarHBondContact O-CB 3.47Å; G218-M222 PolarHBondContact O-N 3.21Å; G218-M222 VanDerWaalsContact O-N 3.09Å |
| 219 | D | 95.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.027 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 178.2 | -82.5 | -46.5 | 0 | 0 | 0 | 111.4 | T93 H133 F190 M222 V223 | T93-D219 HydrophobicContact CG2-CB 3.64Å; T93-D219 WeakPolarHBondContact CG2-O 3.38Å; H133-D219 IonicContact CE1-OD1 3.91Å; H133-D219 PolarHBondContact CE1-OD1 3.05Å; H133-D219 IonicContact NE2-OD1 2.74Å; H133-D219 PolarHBondContact NE2-OD1 3.37Å; F190-D219 HydrophobicContact CE1-CB 4.3Å; F190-D219 WeakPolarHBondContact CE1-OD2 3.29Å; F190-D219 HydrophobicContact CZ-CB 4.46Å; F190-D219 VanDerWaalsContact CZ-OD2 3.26Å; F190-D219 WeakPolarHBondContact CZ-OD2 3.45Å; D219-M222 PolarHBondContact O-N 3.38Å; D219-V223 WeakPolarHBondContact O-CG2 3.48Å; D219-V223 PolarHBondContact O-N 2.84Å |
| 220 | E | 96.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 2% | 0.023 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 179.2 | -63.8 | 102.7 | 135.2 | 0 | 0 | 112.8 | L26 R80 T93 V96 L109 A217 M222 V223 A224 | L26-E220 HydrophobicContact CD2-CB 4.29Å; L26-E220 HydrophobicContact CD2-CG 3.96Å; R80-E220 IonicContact CZ-OE1 2.76Å; R80-E220 VanDerWaalsContact CZ-OE1 3.27Å; R80-E220 IonicContact NE-OE1 3.64Å; R80-E220 PolarHBondContact NE-OE1 3.33Å; R80-E220 IonicContact NH2-OE1 3.8Å; R80-E220 PolarHBondContact NH2-OE1 2.91Å; R80-E220 IonicContact NH2-OE2 2.92Å; R80-E220 PolarHBondContact NH2-OE2 3.39Å; T93-E220 HydrophobicContact CG2-CG 4.44Å; V96-E220 HydrophobicContact CG2-CB 3.73Å; V96-E220 HydrophobicContact CG2-CG 3.77Å; L109-E220 HydrophobicContact CD1-CB 4.47Å; L109-E220 HydrophobicContact CD2-CB 4.22Å; A217-E220 WeakPolarHBondContact CA-OE2 3.23Å; A217-E220 PolarHBondContact N-OE2 3.2Å; A217-E220 VanDerWaalsContact N-OE2 3.09Å; E220-M222 VanDerWaalsContact C-N 3.32Å; E220-M222 PolarHBondContact O-N 3.05Å; E220-V223 PolarHBondContact O-N 3.42Å; E220-A224 VanDerWaalsContact O-CB 3.26Å; E220-A224 WeakPolarHBondContact O-CB 3.35Å; E220-A224 PolarHBondContact O-N 2.82Å |
| 221 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.3 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L109 M161 Y162 A217 A224 R225 V231 | L109-A221 HydrophobicContact CD1-CB 3.72Å; M161-A221 HydrophobicContact CE-CB 4.23Å; M161-A221 VanDerWaalsContact SD-C 3.55Å; M161-A221 HydrophobicContact SD-CB 3.95Å; Y162-A221 HydrophobicContact CE1-CB 3.9Å; A217-A221 WeakPolarHBondContact O-CB 3.44Å; A217-A221 PolarHBondContact O-N 2.84Å; A221-A224 PolarHBondContact O-N 2.87Å; A221-R225 WeakPolarHBondContact O-CB 3.49Å; A221-R225 PolarHBondContact O-N 3.3Å; A221-V231 HydrophobicContact CB-CG1 4.07Å |
| 222 | M | 95.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 178.7 | 176.4 | 175.1 | 59.3 | 0 | 0 | 111.9 | H133 S141 A142 L143 M158 G218 D219 E220 R225 Q226 | H133-M222 VanDerWaalsContact NE2-CE 3.34Å; H133-M222 WeakPolarHBondContact NE2-CE 3.36Å; S141-M222 WeakPolarHBondContact OG-CE 3.44Å; S141-M222 PolarHBondContact OG-SD 2.84Å; A142-M222 HydrophobicContact CB-CE 4.08Å; L143-M222 HydrophobicContact CD1-CG 3.87Å; L143-M222 HydrophobicContact CD1-SD 3.93Å; L143-M222 HydrophobicContact CG-CE 4.15Å; L143-M222 HydrophobicContact CG-CG 4.09Å; L143-M222 HydrophobicContact CG-SD 3.92Å; M158-M222 HydrophobicContact CE-CG 3.47Å; M158-M222 VanDerWaalsContact CE-CG 3.47Å; M158-M222 HydrophobicContact CE-SD 4.05Å; M158-M222 HydrophobicContact SD-CG 4.29Å; G218-M222 WeakPolarHBondContact O-CB 3.47Å; G218-M222 PolarHBondContact O-N 3.21Å; G218-M222 VanDerWaalsContact O-N 3.09Å; D219-M222 PolarHBondContact O-N 3.38Å; E220-M222 VanDerWaalsContact C-N 3.32Å; E220-M222 PolarHBondContact O-N 3.05Å; M222-R225 PolarHBondContact O-N 2.8Å; M222-Q226 PolarHBondContact O-N 3.25Å |
| 223 | V | 95.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 178.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | T93 V96 R97 A142 L143 D219 E220 R225 Q226 C227 | T93-V223 HydrophobicContact CG2-CB 4.24Å; T93-V223 HydrophobicContact CG2-CG2 3.72Å; V96-V223 HydrophobicContact CB-CB 4.44Å; V96-V223 HydrophobicContact CB-CG1 4.01Å; V96-V223 HydrophobicContact CG1-CB 4.24Å; V96-V223 HydrophobicContact CG1-CG1 3.91Å; R97-V223 HydrophobicContact CG-CG1 3.82Å; A142-V223 HydrophobicContact CB-CG2 3.7Å; L143-V223 HydrophobicContact CD2-CG2 3.98Å; D219-V223 WeakPolarHBondContact O-CG2 3.48Å; D219-V223 PolarHBondContact O-N 2.84Å; E220-V223 PolarHBondContact O-N 3.42Å; V223-R225 VanDerWaalsContact C-N 3.27Å; V223-R225 PolarHBondContact O-N 3.43Å; V223-Q226 WeakPolarHBondContact O-CB 3.25Å; V223-Q226 PolarHBondContact O-N 2.86Å; V223-Q226 VanDerWaalsContact O-N 3.16Å; V223-C227 WeakPolarHBondContact O-CB 3.27Å; V223-C227 PolarHBondContact O-N 2.79Å; V223-C227 PolarHBondContact O-SG 2.93Å |
| 224 | A | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.7 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | V96 I107 E220 A221 C227 G228 M229 V231 | V96-A224 HydrophobicContact CG1-CB 3.75Å; I107-A224 HydrophobicContact CD1-CB 4.42Å; I107-A224 HydrophobicContact CG2-CB 3.7Å; E220-A224 VanDerWaalsContact O-CB 3.26Å; E220-A224 WeakPolarHBondContact O-CB 3.35Å; E220-A224 PolarHBondContact O-N 2.82Å; A221-A224 PolarHBondContact O-N 2.87Å; A224-C227 CarbonylContact O-C 3.49Å; A224-C227 WeakPolarHBondContact O-CB 3.3Å; A224-C227 PolarHBondContact O-N 3.41Å; A224-G228 PolarHBondContact O-N 2.78Å; A224-M229 HydrophobicContact CB-CB 4.21Å; A224-M229 HydrophobicContact CB-SD 4.13Å; A224-M229 WeakPolarHBondContact O-CB 3.34Å; A224-M229 PolarHBondContact O-N 3.27Å; A224-V231 HydrophobicContact CB-CG2 3.74Å |
| 225 | R | 96 | Very high | 96 | Very high | 82 Ų | 82 | 14.4 Ų | 14.4 | 31% | 0.309 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -64 | -42.1 | 173.7 | -179.8 | 54.3 | -177.8 | 151.2 | -2.6 | 112.6 | V157 M158 M161 A221 M222 V223 C227 G228 | V157-R225 PolarHBondContact O-NE 2.8Å; V157-R225 VanDerWaalsContact O-NE 3.14Å; M158-R225 HydrophobicContact SD-CG 4.12Å; M161-R225 HydrophobicContact CB-CB 4.36Å; M161-R225 HydrophobicContact CB-CG 4.08Å; M161-R225 HydrophobicContact CG-CB 3.82Å; M161-R225 HydrophobicContact CG-CG 4.1Å; M161-R225 HydrophobicContact SD-CB 3.95Å; M161-R225 HydrophobicContact SD-CG 4.44Å; A221-R225 WeakPolarHBondContact O-CB 3.49Å; A221-R225 PolarHBondContact O-N 3.3Å; M222-R225 PolarHBondContact O-N 2.8Å; V223-R225 VanDerWaalsContact C-N 3.27Å; V223-R225 PolarHBondContact O-N 3.43Å; R225-C227 PolarHBondContact O-N 2.95Å; R225-G228 PolarHBondContact O-N 2.66Å |
| 226 | Q | 94.4 | Very high | 96 | Very high | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.037 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.3 | -45.2 | 173.5 | -174.2 | -171.4 | 28 | 0 | 0 | 110.9 | L143 T151 A153 P156 M222 V223 G228 | L143-Q226 HydrophobicContact CD2-CB 4.25Å; L143-Q226 VanDerWaalsContact CD2-CD 3.47Å; L143-Q226 HydrophobicContact CD2-CG 4.32Å; T151-Q226 CarbonylContact O-C 3.44Å; A153-Q226 WeakPolarHBondContact O-CG 3.44Å; A153-Q226 PolarHBondContact O-NE2 3.27Å; P156-Q226 HydrophobicContact CB-CB 4.5Å; P156-Q226 HydrophobicContact CG-CB 4.13Å; P156-Q226 HydrophobicContact CG-CG 4.17Å; M222-Q226 PolarHBondContact O-N 3.25Å; V223-Q226 WeakPolarHBondContact O-CB 3.25Å; V223-Q226 PolarHBondContact O-N 2.86Å; V223-Q226 VanDerWaalsContact O-N 3.16Å; Q226-G228 PolarHBondContact O-N 2.83Å |
| 227 | C | 94.1 | Very high | 96 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 5% | 0.054 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -1.4 | 177.8 | -68.7 | 0 | 0 | 0 | 0 | 114.3 | H100 T151 V223 A224 R225 M229 | H100-C227 HydrophobicContact CB-CB 3.75Å; H100-C227 PolarHBondContact CE1-O 3.49Å; H100-C227 VanDerWaalsContact CG-CB 3.49Å; H100-C227 PolarHBondContact ND1-O 3.17Å; H100-C227 VanDerWaalsContact ND1-O 3.16Å; T151-C227 VanDerWaalsContact O-CA 3.28Å; T151-C227 WeakPolarHBondContact O-CA 3.45Å; T151-C227 PolarHBondContact O-N 3.22Å; T151-C227 PolarHBondContact O-SG 2.9Å; V223-C227 WeakPolarHBondContact O-CB 3.27Å; V223-C227 PolarHBondContact O-N 2.79Å; V223-C227 PolarHBondContact O-SG 2.93Å; A224-C227 CarbonylContact O-C 3.49Å; A224-C227 WeakPolarHBondContact O-CB 3.3Å; A224-C227 PolarHBondContact O-N 3.41Å; R225-C227 PolarHBondContact O-N 2.95Å; C227-M229 VanDerWaalsContact C-N 3.28Å; C227-M229 HydrophobicContact CB-CG 4.19Å; C227-M229 HydrophobicContact CB-SD 4.39Å; C227-M229 PolarHBondContact O-N 3.19Å |
| 228 | G | 94.5 | Very high | 95.9 | Very high | 57 Ų | 57 | 12.2 Ų | 12.2 | 59% | 0.588 | 7% | 0.071 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 16.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A224 R225 Q226 | A224-G228 PolarHBondContact O-N 2.78Å; R225-G228 PolarHBondContact O-N 2.66Å; Q226-G228 PolarHBondContact O-N 2.83Å |
| 229 | M | 97.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.03 | 8% | 0.08 | C | C | . | . | trans | -76.4 | 149 | 173 | -56.2 | 172.2 | 75.6 | 0 | 0 | 110.3 | V96 L99 H100 V104 P105 I107 A224 C227 | V96-M229 HydrophobicContact CG1-SD 4.26Å; L99-M229 HydrophobicContact CB-CE 4.47Å; H100-M229 HydrophobicContact CB-SD 4.21Å; V104-M229 HydrophobicContact CB-CE 3.89Å; V104-M229 HydrophobicContact CG1-CE 3.69Å; V104-M229 WeakPolarHBondContact O-CE 3.39Å; P105-M229 CarbonylContact O-C 3.56Å; P105-M229 VanDerWaalsContact O-CA 3.32Å; P105-M229 WeakPolarHBondContact O-CA 3.28Å; I107-M229 HydrophobicContact CB-CE 3.97Å; A224-M229 HydrophobicContact CB-CB 4.21Å; A224-M229 HydrophobicContact CB-SD 4.13Å; A224-M229 WeakPolarHBondContact O-CB 3.34Å; A224-M229 PolarHBondContact O-N 3.27Å; C227-M229 VanDerWaalsContact C-N 3.28Å; C227-M229 HydrophobicContact CB-CG 4.19Å; C227-M229 HydrophobicContact CB-SD 4.39Å; C227-M229 PolarHBondContact O-N 3.19Å | ||
| 230 | E | 98.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 17.1 Ų | 17.1 | 34% | 0.341 | 10% | 0.101 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 127.7 | 167.9 | -58.6 | 179.6 | 75.4 | 0 | 0 | 109.7 | P105 K106 I107 L166 | P105-E230 PolarHBondContact O-N 3.39Å; K106-E230 CarbonylContact C-O 3.57Å; K106-E230 WeakPolarHBondContact CA-O 3.5Å; K106-E230 VanDerWaalsContact CE-OE2 3.28Å; K106-E230 WeakPolarHBondContact CE-OE2 3.28Å; K106-E230 HydrophobicContact CG-CB 4.2Å; K106-E230 IonicContact NZ-OE2 3.76Å; K106-E230 PolarHBondContact NZ-OE2 2.76Å; I107-E230 PolarHBondContact N-O 3.02Å; L166-E230 HydrophobicContact CD1-CB 3.86Å |
| 231 | V | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.7 | -176.4 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | I107 L109 M161 Y162 S163 A221 A224 | I107-V231 HydrophobicContact CG2-CB 4.08Å; I107-V231 HydrophobicContact CG2-CG1 3.95Å; I107-V231 HydrophobicContact CG2-CG2 3.83Å; L109-V231 HydrophobicContact CD1-CG1 4.02Å; M161-V231 HydrophobicContact CG-CG2 4.41Å; M161-V231 WeakPolarHBondContact O-CB 3.44Å; Y162-V231 CarbonylContact C-O 3.1Å; Y162-V231 WeakPolarHBondContact CA-O 3.41Å; Y162-V231 HydrophobicContact CD1-CB 4.4Å; Y162-V231 HydrophobicContact CD1-CG1 3.85Å; Y162-V231 HydrophobicContact CE1-CG1 3.96Å; S163-V231 PolarHBondContact N-O 3.21Å; A221-V231 HydrophobicContact CB-CG1 4.07Å; A224-V231 HydrophobicContact CB-CG2 3.74Å |
| 232 | I | 98.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.2 | 157.6 | -176.6 | 173.2 | 0 | 0 | 0 | 108.2 | I107 F108 L109 L166 F170 V234 F271 | I107-I232 PolarHBondContact O-N 3Å; F108-I232 WeakPolarHBondContact CA-O 3.5Å; F108-I232 HydrophobicContact CB-CG2 4.03Å; F108-I232 HydrophobicContact CD2-CG2 3.5Å; F108-I232 VanDerWaalsContact CD2-CG2 3.5Å; F108-I232 HydrophobicContact CE2-CD1 4.42Å; F108-I232 HydrophobicContact CE2-CG2 4.27Å; F108-I232 HydrophobicContact CG-CG2 4.01Å; L109-I232 PolarHBondContact N-O 2.84Å; L166-I232 HydrophobicContact CB-CB 3.95Å; L166-I232 HydrophobicContact CB-CD1 4.15Å; L166-I232 HydrophobicContact CB-CG1 4.47Å; L166-I232 HydrophobicContact CB-CG2 4.48Å; L166-I232 HydrophobicContact CD1-CB 4.11Å; L166-I232 HydrophobicContact CD1-CG2 4.15Å; F170-I232 HydrophobicContact CB-CD1 3.73Å; F170-I232 HydrophobicContact CD2-CD1 4.21Å; F170-I232 HydrophobicContact CG-CD1 4.13Å; I232-V234 HydrophobicContact CD1-CG2 4.36Å; I232-V234 HydrophobicContact CG1-CG2 4.27Å; I232-F271 HydrophobicContact CD1-CE2 4.18Å; I232-F271 HydrophobicContact CD1-CZ 4.1Å; I232-F271 HydrophobicContact CG2-CE1 4.33Å; I232-F271 HydrophobicContact CG2-CZ 4.17Å |
| 233 | A | 97.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 3% | 0.033 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | L109 V128 Y162 | L109-A233 HydrophobicContact CB-CB 3.94Å; L109-A233 HydrophobicContact CD1-CB 4.43Å; L109-A233 CarbonylContact O-C 3.59Å; L109-A233 VanDerWaalsContact O-CA 3.28Å; L109-A233 WeakPolarHBondContact O-CA 3.33Å; V128-A233 HydrophobicContact CB-CB 3.94Å; V128-A233 HydrophobicContact CG2-CB 3.67Å; V128-A233 PolarHBondContact N-O 2.92Å; Y162-A233 HydrophobicContact CD1-CB 3.98Å; Y162-A233 HydrophobicContact CE1-CB 3.65Å |
| 234 | V | 97.2 | Very high | 90 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.7 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 107.7 | F108 L109 S110 T111 Y125 L127 F170 I232 L264 | F108-V234 HydrophobicContact CE1-CB 4.41Å; F108-V234 HydrophobicContact CE1-CG2 4.12Å; F108-V234 HydrophobicContact CE2-CG2 3.8Å; F108-V234 HydrophobicContact CZ-CB 4.06Å; F108-V234 HydrophobicContact CZ-CG2 3.42Å; F108-V234 VanDerWaalsContact CZ-CG2 3.42Å; L109-V234 PolarHBondContact O-N 3.48Å; S110-V234 WeakPolarHBondContact CA-O 3.15Å; T111-V234 PolarHBondContact N-O 3.23Å; Y125-V234 HydrophobicContact CD1-CG1 4.32Å; L127-V234 HydrophobicContact CD2-CB 4.32Å; L127-V234 HydrophobicContact CD2-CG1 4.17Å; L127-V234 HydrophobicContact CD2-CG2 3.62Å; F170-V234 HydrophobicContact CD2-CG2 4.45Å; F170-V234 HydrophobicContact CE1-CG1 4.27Å; F170-V234 HydrophobicContact CE1-CG2 4.36Å; F170-V234 HydrophobicContact CE2-CG2 4.2Å; F170-V234 HydrophobicContact CZ-CG1 4.23Å; F170-V234 HydrophobicContact CZ-CG2 4.14Å; I232-V234 HydrophobicContact CD1-CG2 4.36Å; I232-V234 HydrophobicContact CG1-CG2 4.27Å; V234-L264 HydrophobicContact CB-CD1 4.49Å; V234-L264 HydrophobicContact CG1-CD1 3.93Å |
| 235 | T | 95.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.8 | 175.8 | 71.7 | 0 | 0 | 0 | 0 | 109.4 | T111 A113 Y125 M126 V128 Y188 | T111-T235 HydrophobicContact CG2-CG2 3.63Å; T111-T235 CarbonylContact O-C 3.55Å; T111-T235 VanDerWaalsContact O-CA 3.29Å; T111-T235 WeakPolarHBondContact O-CA 3.5Å; A113-T235 HydrophobicContact CB-CG2 4.23Å; Y125-T235 CarbonylContact C-O 3.54Å; Y125-T235 WeakPolarHBondContact CA-O 3.29Å; M126-T235 WeakPolarHBondContact CB-OG1 3.33Å; M126-T235 HydrophobicContact CE-CG2 4.04Å; M126-T235 PolarHBondContact N-O 3.25Å; M126-T235 PolarHBondContact O-N 3.06Å; M126-T235 PolarHBondContact O-OG1 2.72Å; V128-T235 HydrophobicContact CG2-CG2 3.74Å; Y188-T235 HydrophobicContact CD2-CG2 3.86Å; Y188-T235 HydrophobicContact CE2-CG2 4.12Å |
| 236 | T | 94.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125 | 162.5 | -57.1 | 0 | 0 | 0 | 0 | 107.7 | T111 V112 A113 G238 | T111-T236 PolarHBondContact O-N 3.38Å; V112-T236 WeakPolarHBondContact CA-O 3.46Å; A113-T236 PolarHBondContact N-O 2.84Å; T236-G238 PolarHBondContact O-N 3.41Å |
| 237 | M | 93.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 110.5 | 177.7 | -60.7 | -50.8 | -53.5 | 0 | 0 | 108.6 | L115 Y120 S121 I122 G123 D124 M126 A212 | L115-M237 HydrophobicContact CB-CE 4.15Å; L115-M237 HydrophobicContact CD2-CB 4.23Å; L115-M237 HydrophobicContact CD2-CE 4.12Å; L115-M237 HydrophobicContact CG-CB 4.44Å; L115-M237 HydrophobicContact CG-CE 3.72Å; Y120-M237 HydrophobicContact CD2-CE 4.05Å; Y120-M237 HydrophobicContact CD2-CG 4.39Å; Y120-M237 HydrophobicContact CD2-SD 4.1Å; S121-M237 VanDerWaalsContact O-CB 3.29Å; S121-M237 WeakPolarHBondContact O-CB 3.25Å; I122-M237 CarbonylContact C-O 3.53Å; I122-M237 WeakPolarHBondContact CA-O 3.46Å; G123-M237 PolarHBondContact N-O 3.29Å; D124-M237 HydrophobicContact CB-CB 4.33Å; D124-M237 HydrophobicContact CB-CG 4.09Å; D124-M237 WeakPolarHBondContact O-CB 3.5Å; D124-M237 WeakPolarHBondContact O-CG 3.32Å; D124-M237 PolarHBondContact O-N 3.03Å; M126-M237 HydrophobicContact CB-SD 3.97Å; A212-M237 HydrophobicContact CB-CE 3.79Å; A212-M237 HydrophobicContact CB-SD 4.08Å |
| 238 | G | 90.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -159.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | A113 L115 I122 T236 P240 | A113-G238 CarbonylContact O-C 3.56Å; A113-G238 PolarHBondContact O-N 3.13Å; A113-G238 VanDerWaalsContact O-O 3.11Å; L115-G238 WeakPolarHBondContact CD1-O 3.36Å; I122-G238 WeakPolarHBondContact CD1-O 3.29Å; T236-G238 PolarHBondContact O-N 3.41Å; G238-P240 VanDerWaalsContact C-CD 3.42Å |
| 239 | D | 84.9 | Confident | 83.6 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | trans | -131.7 | 49.9 | 169.7 | -155.9 | 26.9 | 0 | 0 | 0 | 113.5 | I122 I241 G242 S243 | I122-D239 HydrophobicContact CD1-CB 3.9Å; D239-I241 PolarHBondContact O-N 3.16Å; D239-G242 PolarHBondContact O-N 2.78Å; D239-G242 VanDerWaalsContact O-N 3.1Å; D239-G242 PolarHBondContact OD1-N 3.12Å; D239-G242 WeakPolarHBondContact OD2-CA 3.3Å; D239-S243 VanDerWaalsContact OD1-CB 3.28Å; D239-S243 WeakPolarHBondContact OD1-CB 3.44Å; D239-S243 PolarHBondContact OD1-N 2.86Å; D239-S243 PolarHBondContact OD1-OG 2.88Å; D239-S243 PolarHBondContact OD2-N 3.38Å | ||
| 240 | P | 77.4 | Confident | 82.7 | Confident | 72 Ų | 72 | 42.5 Ų | 42.5 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.8 | -178.5 | 28.9 | -36.2 | 0 | 0 | 0 | 113.2 | V112 G238 | V112-P240 HydrophobicContact CG1-CG 4.21Å; G238-P240 VanDerWaalsContact C-CD 3.42Å |
| 241 | I | 77.9 | Confident | 82 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -3 | -178.9 | 57.9 | 152.5 | 0 | 0 | 0 | 113.9 | C196 L202 V213 M215 D239 | C196-I241 WeakPolarHBondContact CB-O 3.14Å; L202-I241 HydrophobicContact CD2-CD1 3.42Å; L202-I241 VanDerWaalsContact CD2-CD1 3.42Å; V213-I241 HydrophobicContact CG1-CD1 3.24Å; V213-I241 HydrophobicContact CG1-CG1 4.28Å; V213-I241 HydrophobicContact CG1-CG2 4.49Å; M215-I241 HydrophobicContact CE-CG2 4.35Å; D239-I241 PolarHBondContact O-N 3.16Å |
| 242 | G | 74.6 | Confident | 81.2 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 32% | 0.32 | 29% | 0.289 | S | S | . | . | trans | 59.8 | 49 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D239 H244 | D239-G242 PolarHBondContact O-N 2.78Å; D239-G242 VanDerWaalsContact O-N 3.1Å; D239-G242 PolarHBondContact OD1-N 3.12Å; D239-G242 WeakPolarHBondContact OD2-CA 3.3Å; G242-H244 PolarHBondContact O-CD2 3.5Å; G242-H244 VanDerWaalsContact O-CD2 3.31Å; G242-H244 PolarHBondContact O-N 3.03Å | ||
| 243 | S | 69.3 | Low | 80.5 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | trans | -61.6 | -13.3 | -177.7 | 66.3 | 0 | 0 | 0 | 0 | 114.2 | L115 D239 L245 | L115-S243 WeakPolarHBondContact O-CB 3.48Å; D239-S243 VanDerWaalsContact OD1-CB 3.28Å; D239-S243 WeakPolarHBondContact OD1-CB 3.44Å; D239-S243 PolarHBondContact OD1-N 2.86Å; D239-S243 PolarHBondContact OD1-OG 2.88Å; D239-S243 PolarHBondContact OD2-N 3.38Å; S243-L245 PolarHBondContact O-N 3.16Å | ||
| 244 | H | 67.3 | Low | 79.9 | Confident | 156 Ų | 156 | 56 Ų | 56 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | trans | 55.8 | 9.7 | -175.4 | -54.5 | -63.1 | 0 | 0 | 0 | 114.3 | G242 Q246 | G242-H244 PolarHBondContact O-CD2 3.5Å; G242-H244 VanDerWaalsContact O-CD2 3.31Å; G242-H244 PolarHBondContact O-N 3.03Å; H244-Q246 VanDerWaalsContact C-N 3.28Å; H244-Q246 PolarHBondContact O-N 3.29Å | ||
| 245 | L | 63.4 | Low | 79.5 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -71.5 | -28.3 | -177.7 | -74.6 | -179.4 | 0 | 0 | 0 | 111.9 | L115 S243 | L115-L245 HydrophobicContact CB-CD1 4.02Å; L115-L245 WeakPolarHBondContact O-CD1 3.46Å; S243-L245 PolarHBondContact O-N 3.16Å |
| 246 | Q | 63.1 | Low | 79.1 | Confident | 55 Ų | 55 | 63 Ų | 63 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -112 | 127.9 | 170.1 | -58.4 | -143.9 | -27.7 | 0 | 0 | 110 | S121 I122 H244 T248 | S121-Q246 PolarHBondContact OG-NE2 2.85Å; I122-Q246 HydrophobicContact CG1-CB 4.44Å; I122-Q246 HydrophobicContact CG1-CG 4.26Å; H244-Q246 VanDerWaalsContact C-N 3.28Å; H244-Q246 PolarHBondContact O-N 3.29Å; Q246-T248 VanDerWaalsContact CB-OG1 3.24Å; Q246-T248 WeakPolarHBondContact CB-OG1 3.27Å; Q246-T248 PolarHBondContact O-N 3.03Å |
| 247 | K | 67 | Low | 78.7 | Confident | 219 Ų | 219 | 64.4 Ų | 64.4 | 95% | 0.952 | 36% | 0.357 | S | S | * | . | trans | -81.2 | 71.1 | 169.8 | -68.5 | -175.6 | 178.7 | -177.4 | 0 | 108.2 | ||||
| 248 | T | 70.6 | Confident | 78.4 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | trans | -122.3 | 141.5 | -175.4 | -40.7 | 0 | 0 | 0 | 0 | 109.1 | Q246 E252 V253 | Q246-T248 VanDerWaalsContact CB-OG1 3.24Å; Q246-T248 WeakPolarHBondContact CB-OG1 3.27Å; Q246-T248 PolarHBondContact O-N 3.03Å; T248-E252 HydrophobicContact CG2-CB 3.78Å; T248-E252 VanDerWaalsContact CG2-OE2 3.25Å; T248-E252 WeakPolarHBondContact CG2-OE2 3.46Å; T248-V253 HydrophobicContact CG2-CG2 4.09Å | ||
| 249 | G | 77 | Confident | 78.3 | Confident | 38 Ų | 38 | 75 Ų | 75 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -67.6 | 151.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | D251 E252 V253 | G249-D251 VanDerWaalsContact C-N 3.27Å; G249-D251 PolarHBondContact O-N 3.36Å; G249-E252 PolarHBondContact N-OE2 3.21Å; G249-E252 PolarHBondContact O-N 2.92Å; G249-V253 WeakPolarHBondContact O-CG2 3.46Å; G249-V253 PolarHBondContact O-N 3.25Å | ||
| 250 | A | 79.7 | Confident | 78.6 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 63% | 0.628 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.4 | -38.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V253 T254 | A250-V253 PolarHBondContact O-N 2.92Å; A250-T254 PolarHBondContact O-N 2.8Å; A250-T254 PolarHBondContact O-OG1 2.81Å |
| 251 | D | 82.8 | Confident | 79.1 | Confident | 140 Ų | 140 | 71.7 Ų | 71.7 | 75% | 0.749 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.5 | -42.3 | 178.5 | -61.9 | -18.3 | 0 | 0 | 0 | 111.7 | G249 T254 K255 | G249-D251 VanDerWaalsContact C-N 3.27Å; G249-D251 PolarHBondContact O-N 3.36Å; D251-T254 PolarHBondContact O-N 3.26Å; D251-K255 WeakPolarHBondContact O-CB 3.36Å; D251-K255 PolarHBondContact O-N 3.39Å |
| 252 | E | 83 | Confident | 79.6 | Confident | 126 Ų | 126 | 76.6 Ų | 76.6 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 176.4 | -71.3 | 179 | 163.1 | 0 | 0 | 111.5 | T248 G249 A256 | T248-E252 HydrophobicContact CG2-CB 3.78Å; T248-E252 VanDerWaalsContact CG2-OE2 3.25Å; T248-E252 WeakPolarHBondContact CG2-OE2 3.46Å; G249-E252 PolarHBondContact N-OE2 3.21Å; G249-E252 PolarHBondContact O-N 2.92Å; E252-A256 VanDerWaalsContact O-CB 3.3Å; E252-A256 WeakPolarHBondContact O-CB 3.31Å; E252-A256 PolarHBondContact O-N 2.68Å |
| 253 | V | 83.5 | Confident | 80.4 | Confident | 21 Ų | 21 | 78 Ų | 78 | 13% | 0.127 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | I122 T248 G249 A250 A256 I257 | I122-V253 HydrophobicContact CD1-CG1 4.19Å; I122-V253 HydrophobicContact CD1-CG2 4.3Å; I122-V253 HydrophobicContact CG1-CG2 4.35Å; I122-V253 HydrophobicContact CG2-CG1 4.3Å; I122-V253 HydrophobicContact CG2-CG2 4.47Å; T248-V253 HydrophobicContact CG2-CG2 4.09Å; G249-V253 WeakPolarHBondContact O-CG2 3.46Å; G249-V253 PolarHBondContact O-N 3.25Å; A250-V253 PolarHBondContact O-N 2.92Å; V253-A256 PolarHBondContact O-N 3.09Å; V253-I257 HydrophobicContact CG1-CD1 3.72Å; V253-I257 VanDerWaalsContact O-CG1 3.26Å; V253-I257 WeakPolarHBondContact O-CG1 3.49Å; V253-I257 PolarHBondContact O-N 3.12Å |
| 254 | T | 85.7 | Confident | 81.5 | Confident | 72 Ų | 72 | 77.5 Ų | 77.5 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.7 | -50.1 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | A250 D251 A256 I257 E258 | A250-T254 PolarHBondContact O-N 2.8Å; A250-T254 PolarHBondContact O-OG1 2.81Å; D251-T254 PolarHBondContact O-N 3.26Å; T254-A256 PolarHBondContact O-N 2.92Å; T254-I257 PolarHBondContact O-N 2.98Å; T254-I257 VanDerWaalsContact O-N 3.17Å; T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 2.95Å |
| 255 | K | 87 | Confident | 82.7 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 178.8 | -174.8 | 179.9 | 176.1 | -173.7 | 0 | 112.6 | D251 I257 E258 E259 | D251-K255 WeakPolarHBondContact O-CB 3.36Å; D251-K255 PolarHBondContact O-N 3.39Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 3.3Å; K255-E258 PolarHBondContact O-N 3.25Å; K255-E259 WeakPolarHBondContact CE-OE1 3.43Å; K255-E259 IonicContact NZ-OE1 3.96Å; K255-E259 WeakPolarHBondContact O-CG 3.39Å; K255-E259 PolarHBondContact O-N 3.23Å |
| 256 | A | 87.4 | Confident | 84 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 21% | 0.207 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -36.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I122 E252 V253 T254 S260 | I122-A256 HydrophobicContact CG2-CB 3.74Å; E252-A256 VanDerWaalsContact O-CB 3.3Å; E252-A256 WeakPolarHBondContact O-CB 3.31Å; E252-A256 PolarHBondContact O-N 2.68Å; V253-A256 PolarHBondContact O-N 3.09Å; T254-A256 PolarHBondContact O-N 2.92Å; A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.39Å; A256-S260 PolarHBondContact O-N 3.01Å; A256-S260 PolarHBondContact O-OG 2.88Å |
| 257 | I | 86.6 | Confident | 85.6 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.8 | -42.9 | 174.4 | -68.8 | 166.4 | 0 | 0 | 0 | 110.7 | V112 V253 T254 K255 S260 N261 | V112-I257 HydrophobicContact CG1-CD1 4.21Å; V112-I257 HydrophobicContact CG2-CG2 4.21Å; V253-I257 HydrophobicContact CG1-CD1 3.72Å; V253-I257 VanDerWaalsContact O-CG1 3.26Å; V253-I257 WeakPolarHBondContact O-CG1 3.49Å; V253-I257 PolarHBondContact O-N 3.12Å; T254-I257 PolarHBondContact O-N 2.98Å; T254-I257 VanDerWaalsContact O-N 3.17Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 3.3Å; I257-S260 PolarHBondContact O-N 2.93Å; I257-N261 WeakPolarHBondContact O-CB 3.21Å; I257-N261 PolarHBondContact O-N 2.93Å; I257-N261 PolarHBondContact O-ND2 3.47Å |
| 258 | E | 87.6 | Confident | 86.9 | Confident | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.9 | -50.4 | 176.1 | -72.8 | 173.3 | 171.9 | 0 | 0 | 111.7 | T254 K255 S260 N261 M262 | T254-E258 WeakPolarHBondContact O-CG 3.37Å; T254-E258 PolarHBondContact O-N 2.95Å; K255-E258 PolarHBondContact O-N 3.25Å; E258-S260 PolarHBondContact O-N 3.06Å; E258-N261 PolarHBondContact O-N 2.88Å; E258-N261 VanDerWaalsContact O-N 3.12Å; E258-M262 WeakPolarHBondContact O-CG 3.45Å; E258-M262 PolarHBondContact O-N 2.89Å |
| 259 | E | 89.1 | Confident | 88 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 50% | 0.5 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 175.9 | -73 | 178 | -177.4 | 0 | 0 | 111.7 | K255 N263 | K255-E259 WeakPolarHBondContact CE-OE1 3.43Å; K255-E259 IonicContact NZ-OE1 3.96Å; K255-E259 WeakPolarHBondContact O-CG 3.39Å; K255-E259 PolarHBondContact O-N 3.23Å; E259-N263 PolarHBondContact O-N 3.39Å; E259-N263 PolarHBondContact O-ND2 2.8Å |
| 260 | S | 90.6 | Very high | 88.9 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.6 | -40.2 | 176.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | G123 Y125 A256 I257 E258 M262 N263 L264 | G123-S260 WeakPolarHBondContact CA-OG 3.28Å; G123-S260 PolarHBondContact O-OG 3.35Å; G123-S260 VanDerWaalsContact O-OG 3.09Å; Y125-S260 VanDerWaalsContact OH-C 3.3Å; Y125-S260 VanDerWaalsContact OH-CA 3.25Å; Y125-S260 WeakPolarHBondContact OH-CA 3.36Å; Y125-S260 PolarHBondContact OH-O 2.83Å; A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.39Å; A256-S260 PolarHBondContact O-N 3.01Å; A256-S260 PolarHBondContact O-OG 2.88Å; I257-S260 PolarHBondContact O-N 2.93Å; E258-S260 PolarHBondContact O-N 3.06Å; S260-M262 VanDerWaalsContact C-N 3.31Å; S260-M262 PolarHBondContact O-N 2.71Å; S260-N263 PolarHBondContact O-N 2.87Å; S260-L264 VanDerWaalsContact O-CB 3.3Å; S260-L264 WeakPolarHBondContact O-CB 3.39Å; S260-L264 PolarHBondContact O-N 2.94Å |
| 261 | N | 87.6 | Confident | 89.7 | Confident | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.171 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 178 | -70.1 | -20.3 | 0 | 0 | 0 | 111.6 | T29 I257 E258 L264 L265 | T29-N261 PolarHBondContact O-ND2 3.29Å; I257-N261 WeakPolarHBondContact O-CB 3.21Å; I257-N261 PolarHBondContact O-N 2.93Å; I257-N261 PolarHBondContact O-ND2 3.47Å; E258-N261 PolarHBondContact O-N 2.88Å; E258-N261 VanDerWaalsContact O-N 3.12Å; N261-L264 PolarHBondContact O-N 3.05Å; N261-L265 PolarHBondContact O-N 3Å |
| 262 | M | 88.2 | Confident | 90.4 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 174.2 | -69.4 | -55.5 | -58.1 | 0 | 0 | 112.4 | E258 S260 L265 G266 | E258-M262 WeakPolarHBondContact O-CG 3.45Å; E258-M262 PolarHBondContact O-N 2.89Å; S260-M262 VanDerWaalsContact C-N 3.31Å; S260-M262 PolarHBondContact O-N 2.71Å; M262-L265 WeakPolarHBondContact O-CB 3.02Å; M262-L265 PolarHBondContact O-N 3.23Å; M262-G266 PolarHBondContact O-N 2.71Å |
| 263 | N | 91.7 | Very high | 91 | Very high | 61 Ų | 61 | 45 Ų | 45 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.2 | -75.4 | -47.6 | 0 | 0 | 0 | 111.6 | Y125 E259 S260 L265 G266 F267 | Y125-N263 VanDerWaalsContact OH-CB 3.27Å; Y125-N263 WeakPolarHBondContact OH-CB 3.41Å; E259-N263 PolarHBondContact O-N 3.39Å; E259-N263 PolarHBondContact O-ND2 2.8Å; S260-N263 PolarHBondContact O-N 2.87Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 3.11Å; N263-G266 PolarHBondContact O-N 3.36Å; N263-F267 HydrophobicContact CB-CE2 3.89Å; N263-F267 HydrophobicContact CB-CZ 4.13Å; N263-F267 VanDerWaalsContact O-CD2 3.24Å; N263-F267 WeakPolarHBondContact O-CD2 3.3Å; N263-F267 WeakPolarHBondContact O-CG 3.44Å; N263-F267 PolarHBondContact O-N 2.74Å |
| 264 | L | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -35.3 | 178.5 | -177.3 | 57.2 | 0 | 0 | 0 | 112.2 | F108 Y125 F170 V234 S260 N261 F267 T268 | F108-L264 HydrophobicContact CZ-CD1 4.37Å; Y125-L264 HydrophobicContact CD1-CD1 4.43Å; Y125-L264 HydrophobicContact CE1-CB 3.85Å; Y125-L264 HydrophobicContact CE1-CD1 4.31Å; Y125-L264 HydrophobicContact CE1-CD2 4.32Å; Y125-L264 HydrophobicContact CE1-CG 4.39Å; F170-L264 HydrophobicContact CE2-CD1 4.28Å; F170-L264 HydrophobicContact CZ-CD1 3.66Å; V234-L264 HydrophobicContact CB-CD1 4.49Å; V234-L264 HydrophobicContact CG1-CD1 3.93Å; S260-L264 VanDerWaalsContact O-CB 3.3Å; S260-L264 WeakPolarHBondContact O-CB 3.39Å; S260-L264 PolarHBondContact O-N 2.94Å; N261-L264 PolarHBondContact O-N 3.05Å; L264-F267 PolarHBondContact O-N 3.17Å; L264-T268 VanDerWaalsContact O-CB 3.27Å; L264-T268 WeakPolarHBondContact O-CB 3.45Å; L264-T268 PolarHBondContact O-N 3.42Å; L264-T268 PolarHBondContact O-OG1 2.95Å |
| 265 | L | 91.8 | Very high | 92 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -50.3 | 175.6 | -168.7 | 137.3 | 0 | 0 | 0 | 111.2 | E33 L34 N261 M262 N263 F267 T268 E269 | E33-L265 HydrophobicContact CB-CD1 3.63Å; L34-L265 HydrophobicContact CB-CD1 4.08Å; L34-L265 HydrophobicContact CB-CG 4.14Å; L34-L265 HydrophobicContact CD1-CD2 3.96Å; L34-L265 HydrophobicContact CD1-CG 4Å; N261-L265 PolarHBondContact O-N 3Å; M262-L265 WeakPolarHBondContact O-CB 3.02Å; M262-L265 PolarHBondContact O-N 3.23Å; N263-L265 VanDerWaalsContact C-N 3.26Å; N263-L265 PolarHBondContact O-N 3.11Å; L265-F267 PolarHBondContact O-N 2.99Å; L265-T268 PolarHBondContact O-N 3Å; L265-E269 PolarHBondContact O-N 3.35Å |
| 266 | G | 92.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M262 N263 T268 E269 Q270 | M262-G266 PolarHBondContact O-N 2.71Å; N263-G266 PolarHBondContact O-N 3.36Å; G266-T268 VanDerWaalsContact C-N 3.33Å; G266-T268 PolarHBondContact O-N 3.02Å; G266-E269 PolarHBondContact O-N 2.87Å; G266-Q270 WeakPolarHBondContact O-CG 3.26Å; G266-Q270 PolarHBondContact O-N 3.47Å |
| 267 | F | 94.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 174.5 | -58.7 | -30.1 | 0 | 0 | 0 | 112.3 | Y125 F170 V174 N177 T179 V181 N263 L264 L265 F271 | Y125-F267 HydrophobicContact CE2-CD2 4.39Å; Y125-F267 AromaticContact CE2-CE2 3.88Å; Y125-F267 HydrophobicContact CE2-CE2 3.88Å; F170-F267 HydrophobicContact CE2-CB 4.2Å; F170-F267 HydrophobicContact CZ-CB 3.96Å; V174-F267 HydrophobicContact CG1-CE1 4.47Å; V174-F267 HydrophobicContact CG1-CE2 4.09Å; V174-F267 HydrophobicContact CG1-CZ 4.07Å; V174-F267 HydrophobicContact CG2-CB 4.21Å; V174-F267 HydrophobicContact CG2-CD1 4.25Å; V174-F267 HydrophobicContact CG2-CD2 3.75Å; V174-F267 HydrophobicContact CG2-CE2 4.15Å; V174-F267 HydrophobicContact CG2-CG 3.81Å; N177-F267 HydrophobicContact CB-CE1 3.76Å; T179-F267 HydrophobicContact CG2-CE1 4.41Å; T179-F267 HydrophobicContact CG2-CZ 4.22Å; V181-F267 HydrophobicContact CG2-CE2 3.87Å; V181-F267 HydrophobicContact CG2-CZ 3.73Å; N263-F267 HydrophobicContact CB-CE2 3.89Å; N263-F267 HydrophobicContact CB-CZ 4.13Å; N263-F267 VanDerWaalsContact O-CD2 3.24Å; N263-F267 WeakPolarHBondContact O-CD2 3.3Å; N263-F267 WeakPolarHBondContact O-CG 3.44Å; N263-F267 PolarHBondContact O-N 2.74Å; L264-F267 PolarHBondContact O-N 3.17Å; L265-F267 PolarHBondContact O-N 2.99Å; F267-F271 WeakPolarHBondContact O-CB 3.42Å; F267-F271 PolarHBondContact O-N 2.95Å |
| 268 | T | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -42.1 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 111 | I25 H31 L34 F108 L264 L265 G266 F271 I272 | I25-T268 HydrophobicContact CD1-CG2 3.92Å; H31-T268 PolarHBondContact NE2-OG1 2.97Å; L34-T268 HydrophobicContact CD2-CG2 4.07Å; F108-T268 HydrophobicContact CE1-CG2 4.37Å; F108-T268 HydrophobicContact CE2-CG2 4.36Å; F108-T268 HydrophobicContact CZ-CG2 4.26Å; F108-T268 WeakPolarHBondContact CZ-OG1 3.27Å; L264-T268 VanDerWaalsContact O-CB 3.27Å; L264-T268 WeakPolarHBondContact O-CB 3.45Å; L264-T268 PolarHBondContact O-N 3.42Å; L264-T268 PolarHBondContact O-OG1 2.95Å; L265-T268 PolarHBondContact O-N 3Å; G266-T268 VanDerWaalsContact C-N 3.33Å; G266-T268 PolarHBondContact O-N 3.02Å; T268-F271 WeakPolarHBondContact O-CB 3.4Å; T268-F271 PolarHBondContact O-N 3.41Å; T268-I272 HydrophobicContact CG2-CD1 3.95Å; T268-I272 VanDerWaalsContact O-CG1 3.25Å; T268-I272 WeakPolarHBondContact O-CG1 3.25Å; T268-I272 PolarHBondContact O-N 3.41Å |
| 269 | E | 94.7 | Very high | 93.2 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 25% | 0.248 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.7 | -56.4 | 171.9 | -172.6 | -169.1 | 168.1 | 0 | 0 | 111.1 | L34 L69 L265 G266 F271 I272 L273 | L34-E269 HydrophobicContact CD1-CB 3.92Å; L34-E269 HydrophobicContact CD1-CG 4.45Å; L69-E269 HydrophobicContact CD2-CG 4.23Å; L265-E269 PolarHBondContact O-N 3.35Å; G266-E269 PolarHBondContact O-N 2.87Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.26Å; E269-I272 PolarHBondContact O-N 2.84Å; E269-I272 VanDerWaalsContact O-N 3.1Å; E269-L273 HydrophobicContact CG-CD1 4.29Å; E269-L273 WeakPolarHBondContact O-CG 3.12Å; E269-L273 PolarHBondContact O-N 3.3Å |
| 270 | Q | 95.2 | Very high | 93.4 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -35.9 | -179.8 | -70.7 | -177.7 | 11.8 | 0 | 0 | 112.5 | V173 N177 G266 L273 Q274 | V173-Q270 HydrophobicContact CG1-CB 3.53Å; N177-Q270 PolarHBondContact ND2-OE1 3.31Å; N177-Q270 PolarHBondContact OD1-NE2 3.1Å; N177-Q270 VanDerWaalsContact OD1-NE2 3.13Å; N177-Q270 PolarHBondContact OD1-OE1 3.04Å; G266-Q270 WeakPolarHBondContact O-CG 3.26Å; G266-Q270 PolarHBondContact O-N 3.47Å; Q270-L273 PolarHBondContact O-N 3.39Å; Q270-Q274 VanDerWaalsContact O-CG 3.24Å; Q270-Q274 WeakPolarHBondContact O-CG 3.24Å; Q270-Q274 PolarHBondContact O-N 3.05Å |
| 271 | F | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 173.9 | 170.5 | -99.2 | 0 | 0 | 0 | 111.4 | I23 F108 L166 L169 F170 V173 I232 F267 T268 E269 L273 Q274 L275 | I23-F271 HydrophobicContact CD1-CE1 3.91Å; F108-F271 HydrophobicContact CD2-CD1 4.08Å; F108-F271 AromaticContact CD2-CE1 3.9Å; F108-F271 HydrophobicContact CD2-CE1 3.9Å; F108-F271 HydrophobicContact CE2-CD1 4.26Å; F108-F271 HydrophobicContact CE2-CE1 4.4Å; L166-F271 HydrophobicContact CB-CE2 4.49Å; L166-F271 HydrophobicContact CB-CZ 4.22Å; L166-F271 HydrophobicContact CD2-CZ 4.09Å; L169-F271 HydrophobicContact CB-CD2 4.42Å; L169-F271 HydrophobicContact CB-CE2 4.07Å; L169-F271 HydrophobicContact CD2-CD2 3.99Å; L169-F271 HydrophobicContact CD2-CE2 3.75Å; L169-F271 HydrophobicContact CG-CD2 3.88Å; L169-F271 HydrophobicContact CG-CE2 3.89Å; F170-F271 HydrophobicContact CB-CD2 3.99Å; F170-F271 HydrophobicContact CB-CE2 4.14Å; F170-F271 HydrophobicContact CD2-CB 4.14Å; F170-F271 AromaticContact CD2-CD2 3.92Å; F170-F271 HydrophobicContact CD2-CD2 3.92Å; F170-F271 HydrophobicContact CD2-CG 4.01Å; F170-F271 HydrophobicContact CG-CD2 4.46Å; V173-F271 HydrophobicContact CG2-CB 4.47Å; I232-F271 HydrophobicContact CD1-CE2 4.18Å; I232-F271 HydrophobicContact CD1-CZ 4.1Å; I232-F271 HydrophobicContact CG2-CE1 4.33Å; I232-F271 HydrophobicContact CG2-CZ 4.17Å; F267-F271 WeakPolarHBondContact O-CB 3.42Å; F267-F271 PolarHBondContact O-N 2.95Å; T268-F271 WeakPolarHBondContact O-CB 3.4Å; T268-F271 PolarHBondContact O-N 3.41Å; E269-F271 VanDerWaalsContact C-N 3.26Å; E269-F271 PolarHBondContact O-N 3.26Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 3.47Å; F271-Q274 PolarHBondContact O-N 3Å; F271-Q274 VanDerWaalsContact O-N 3.12Å; F271-L275 HydrophobicContact CE1-CD1 4.15Å; F271-L275 HydrophobicContact CE1-CD2 4.23Å; F271-L275 HydrophobicContact CE1-CG 4.42Å; F271-L275 HydrophobicContact CE2-CD2 4.44Å; F271-L275 HydrophobicContact CZ-CD2 4Å; F271-L275 PolarHBondContact O-N 3.21Å |
| 272 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 180 | -67.2 | 168.2 | 0 | 0 | 0 | 111.3 | I23 I25 L69 K72 T74 T268 E269 Q274 L275 | I23-I272 HydrophobicContact CD1-CG1 4.47Å; I23-I272 HydrophobicContact CG2-CD1 4.21Å; I23-I272 HydrophobicContact CG2-CG1 4.11Å; I23-I272 HydrophobicContact CG2-CG2 4.17Å; I25-I272 HydrophobicContact CD1-CD1 3.52Å; I25-I272 HydrophobicContact CG1-CD1 4.22Å; L69-I272 HydrophobicContact CB-CG2 3.88Å; L69-I272 HydrophobicContact CD1-CB 4.2Å; L69-I272 HydrophobicContact CD1-CD1 3.56Å; L69-I272 HydrophobicContact CD1-CG1 4.48Å; L69-I272 HydrophobicContact CD1-CG2 4.07Å; K72-I272 HydrophobicContact CB-CG2 3.97Å; K72-I272 HydrophobicContact CG-CG2 4.44Å; T74-I272 HydrophobicContact CG2-CD1 4.17Å; T268-I272 HydrophobicContact CG2-CD1 3.95Å; T268-I272 VanDerWaalsContact O-CG1 3.25Å; T268-I272 WeakPolarHBondContact O-CG1 3.25Å; T268-I272 PolarHBondContact O-N 3.41Å; E269-I272 PolarHBondContact O-N 2.84Å; E269-I272 VanDerWaalsContact O-N 3.1Å; I272-Q274 PolarHBondContact O-N 2.96Å; I272-L275 HydrophobicContact CG1-CD1 4.45Å; I272-L275 WeakPolarHBondContact O-CB 3.41Å; I272-L275 PolarHBondContact O-N 3.33Å |
| 273 | L | 96 | Very high | 94.5 | Very high | 75 Ų | 75 | 35.2 Ų | 35.2 | 39% | 0.393 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -20.4 | 175.8 | -67.9 | 174.8 | 0 | 0 | 0 | 113.6 | E269 Q270 F271 | E269-L273 HydrophobicContact CG-CD1 4.29Å; E269-L273 WeakPolarHBondContact O-CG 3.12Å; E269-L273 PolarHBondContact O-N 3.3Å; Q270-L273 PolarHBondContact O-N 3.39Å; F271-L273 VanDerWaalsContact C-N 3.33Å; F271-L273 PolarHBondContact O-N 3.47Å |
| 274 | Q | 95.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 33 Ų | 33 | 46% | 0.458 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -4.7 | 179.4 | -62 | -75.1 | -69.9 | 0 | 0 | 113.9 | L169 V173 Q270 F271 I272 | L169-Q274 HydrophobicContact CD1-CB 3.94Å; L169-Q274 HydrophobicContact CD2-CB 4.44Å; V173-Q274 HydrophobicContact CG2-CG 4.3Å; Q270-Q274 VanDerWaalsContact O-CG 3.24Å; Q270-Q274 WeakPolarHBondContact O-CG 3.24Å; Q270-Q274 PolarHBondContact O-N 3.05Å; F271-Q274 PolarHBondContact O-N 3Å; F271-Q274 VanDerWaalsContact O-N 3.12Å; I272-Q274 PolarHBondContact O-N 2.96Å |
| 275 | L | 95.3 | Very high | 95 | Very high | 57 Ų | 57 | 36 Ų | 36 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | trans | -69.2 | 0 | 170.9 | -64.8 | 175.2 | 0 | 0 | 0 | 111.6 | I23 K72 K106 L166 L169 F271 I272 | I23-L275 HydrophobicContact CB-CD1 4.23Å; I23-L275 HydrophobicContact CD1-CD1 3.62Å; I23-L275 HydrophobicContact CG2-CD1 4.29Å; K72-L275 WeakPolarHBondContact CE-OXT 3.17Å; K72-L275 PolarHBondContact NZ-O 3.49Å; K72-L275 PolarHBondContact NZ-OXT 3.49Å; K106-L275 HydrophobicContact CD-CD1 4.27Å; K106-L275 HydrophobicContact CD-CD2 4.05Å; L166-L275 HydrophobicContact CD2-CD2 3.95Å; L169-L275 HydrophobicContact CD2-CD2 3.76Å; F271-L275 HydrophobicContact CE1-CD1 4.15Å; F271-L275 HydrophobicContact CE1-CD2 4.23Å; F271-L275 HydrophobicContact CE1-CG 4.42Å; F271-L275 HydrophobicContact CE2-CD2 4.44Å; F271-L275 HydrophobicContact CZ-CD2 4Å; F271-L275 PolarHBondContact O-N 3.21Å; I272-L275 HydrophobicContact CG1-CD1 4.45Å; I272-L275 WeakPolarHBondContact O-CB 3.41Å; I272-L275 PolarHBondContact O-N 3.33Å |
Retrieved 275 of 275 residues in 811.9 ms
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