| 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 | 38.1 | Very low | 73.6 | Confident | 232 Ų | 232 | 74.6 Ų | 74.6 | 100% | 1.143 | 44% | 0.444 | S | S | * | . | 0 | 117.2 | 0 | -68.6 | 179.9 | -152.1 | 0 | 0 | 106.4 | T3 | M1-T3 PolarHBondContact O-N 3.4Š| |||
| 2 | D | 43.4 | Very low | 75.5 | Confident | 136 Ų | 136 | 73 Ų | 73 | 73% | 0.727 | 44% | 0.439 | S | S | * | . | trans | -65 | 103.6 | 176.5 | -163 | 9.9 | 0 | 0 | 0 | 107.1 | T4 | D2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | T | 49.7 | Very low | 77.1 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | trans | -75.9 | 89.3 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 106.5 | M1 L5 K119 | M1-T3 PolarHBondContact O-N 3.4Å; T3-L5 VanDerWaalsContact C-N 3.28Å; T3-L5 PolarHBondContact O-N 2.82Å; T3-K119 PolarHBondContact OG1-NZ 3.28Å | ||
| 4 | T | 51.4 | Low | 78.5 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 71% | 0.706 | 40% | 0.397 | S | S | * | . | trans | -59.8 | 97.1 | 174.4 | 41.3 | 0 | 0 | 0 | 0 | 107.6 | D2 G6 | D2-T4 PolarHBondContact O-N 3.29Å; T4-G6 PolarHBondContact O-N 2.99Å | ||
| 5 | L | 69 | Low | 79.8 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | trans | -58.5 | 91.7 | 158.7 | -62.8 | 178.4 | 0 | 0 | 0 | 105.2 | T3 C97 V98 S99 I110 Y115 | T3-L5 VanDerWaalsContact C-N 3.28Å; T3-L5 PolarHBondContact O-N 2.82Å; L5-C97 VanDerWaalsContact CD2-C 3.46Å; L5-C97 WeakPolarHBondContact CD2-O 3.34Å; L5-V98 WeakPolarHBondContact CD2-O 3.34Å; L5-S99 VanDerWaalsContact CB-CA 3.48Å; L5-S99 WeakPolarHBondContact O-CB 3.09Å; L5-S99 PolarHBondContact O-OG 3.45Å; L5-I110 HydrophobicContact CD1-CB 4.15Å; L5-I110 HydrophobicContact CD1-CG2 3.9Å; L5-Y115 HydrophobicContact CD1-CD1 4.2Å; L5-Y115 HydrophobicContact CD1-CE1 4.38Å; L5-Y115 HydrophobicContact CD1-CG 4.27Å; L5-Y115 HydrophobicContact CD2-CE1 4.06Å; L5-Y115 HydrophobicContact CD2-CE2 4.19Å; L5-Y115 HydrophobicContact CG-CE1 4.42Å | ||
| 6 | G | 75.7 | Confident | 80.8 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | trans | -109.4 | -18.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T4 | T4-G6 PolarHBondContact O-N 2.99Š| ||
| 7 | S | 93.3 | Very high | 81.9 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 32% | 0.315 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -109.3 | 162.8 | -176.9 | 65.9 | 0 | 0 | 0 | 0 | 111.4 | V98 S99 | S7-V98 WeakPolarHBondContact O-CA 3.28Å; S7-V98 VanDerWaalsContact O-CB 3.25Å; S7-V98 WeakPolarHBondContact O-CB 3.32Å; S7-V98 WeakPolarHBondContact OG-CG1 3.23Å; S7-S99 PolarHBondContact O-N 3.44Å; S7-S99 PolarHBondContact O-OG 3.11Å |
| 8 | I | 97.8 | Very high | 82.8 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 34% | 0.338 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.2 | 175.3 | -60.1 | 162.9 | 0 | 0 | 0 | 107.6 | E100 E102 K129 | I8-E100 CarbonylContact C-O 3.54Å; I8-E100 WeakPolarHBondContact CA-O 3.32Å; I8-E100 HydrophobicContact CG1-CB 4.27Å; I8-E100 HydrophobicContact CG2-CB 4.48Å; I8-E102 HydrophobicContact CG2-CB 3.99Å; I8-K129 WeakPolarHBondContact O-CE 3.3Å; I8-K129 PolarHBondContact O-NZ 3.41Å |
| 9 | R | 97.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 0% | 0.004 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 121.9 | 167.9 | -176.8 | -165.4 | 179.5 | -71.3 | 1.6 | 108.6 | V98 E100 Y101 E102 D132 E133 E135 E139 | R9-V98 HydrophobicContact CB-CB 4.32Å; R9-V98 HydrophobicContact CB-CG1 4.17Å; R9-V98 HydrophobicContact CB-CG2 3.6Å; R9-E100 PolarHBondContact N-O 3.16Å; R9-Y101 HydrophobicContact CB-CD2 4.04Å; R9-Y101 HydrophobicContact CB-CE2 4.24Å; R9-Y101 HydrophobicContact CB-CG 4.24Å; R9-Y101 VanDerWaalsContact CD-CD1 3.5Å; R9-Y101 VanDerWaalsContact CD-CZ 3.42Å; R9-E102 VanDerWaalsContact O-CB 3.29Å; R9-E102 WeakPolarHBondContact O-CB 3.37Å; R9-E102 PolarHBondContact O-N 3.27Å; R9-D132 WeakPolarHBondContact CD-OD1 3.36Å; R9-D132 PolarHBondContact NE-O 2.89Å; R9-D132 VanDerWaalsContact NE-O 3.08Å; R9-D132 IonicContact NE-OD1 3.63Å; R9-D132 PolarHBondContact NE-OD1 2.94Å; R9-D132 PolarHBondContact NH2-O 3.35Å; R9-E133 HydrophobicContact CG-CG 3.54Å; R9-E135 PolarHBondContact NH2-O 3.38Å; R9-E139 IonicContact CZ-OE2 3.72Å; R9-E139 VanDerWaalsContact CZ-OE2 3.25Å; R9-E139 VanDerWaalsContact NH1-CD 3.33Å; R9-E139 IonicContact NH1-OE2 2.8Å; R9-E139 PolarHBondContact NH1-OE2 2.93Å; R9-E139 IonicContact NH2-OE2 3.05Å; R9-E139 PolarHBondContact NH2-OE2 3.42Å |
| 10 | V | 97.6 | Very high | 84.3 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 156.6 | -177.8 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | S12 E102 E133 | V10-S12 PolarHBondContact O-N 2.67Å; V10-E102 WeakPolarHBondContact CA-OE2 3.22Å; V10-E102 WeakPolarHBondContact CB-OE2 3.28Å; V10-E133 WeakPolarHBondContact CG2-OE1 3.46Å; V10-E133 PolarHBondContact N-OE1 3.31Å |
| 11 | S | 96.6 | Very high | 84.9 | Confident | 22 Ų | 22 | 63 Ų | 63 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | trans | -79 | 71.8 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 110.4 | H13 A14 Y18 E102 E139 | S11-H13 PolarHBondContact O-N 2.97Å; S11-H13 VanDerWaalsContact O-N 3.17Å; S11-A14 VanDerWaalsContact O-CB 3.3Å; S11-A14 WeakPolarHBondContact O-CB 3.03Å; S11-A14 PolarHBondContact O-N 3.15Å; S11-A14 VanDerWaalsContact O-N 3.13Å; S11-Y18 WeakPolarHBondContact CB-OH 3.33Å; S11-E102 PolarHBondContact N-OE2 3.41Å; S11-E102 PolarHBondContact OG-OE2 3.45Å; S11-E139 VanDerWaalsContact C-OE1 3.25Å | ||
| 12 | S | 95.5 | Very high | 87.8 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.9 | -170.5 | 60.5 | 0 | 0 | 0 | 0 | 114.5 | V10 E133 E139 | V10-S12 PolarHBondContact O-N 2.67Å; S12-E133 PolarHBondContact OG-O 2.91Å; S12-E139 PolarHBondContact N-OE1 2.94Å; S12-E139 PolarHBondContact OG-OE2 3.46Å; S12-E139 VanDerWaalsContact OG-OE2 3.06Å |
| 13 | H | 96.6 | Very high | 90.4 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -2.6 | 179.1 | -62 | 73.9 | 0 | 0 | 0 | 113.4 | S11 S16 W17 Y18 H136 E139 M140 | S11-H13 PolarHBondContact O-N 2.97Å; S11-H13 VanDerWaalsContact O-N 3.17Å; H13-S16 PolarHBondContact O-N 3.17Å; H13-S16 PolarHBondContact O-OG 3.36Å; H13-W17 HydrophobicContact CB-CB 4.05Å; H13-W17 HydrophobicContact CB-CG 4.11Å; H13-W17 AromaticContact CD2-CD1 3.59Å; H13-W17 AromaticContact CD2-CE2 3.95Å; H13-W17 AromaticContact CD2-CG 3.92Å; H13-W17 AromaticContact CD2-NE1 3.62Å; H13-W17 PolarHBondContact O-N 2.88Å; H13-Y18 HydrophobicContact CB-CE1 3.89Å; H13-H136 WeakPolarHBondContact NE2-CB 3.22Å; H13-E139 VanDerWaalsContact CB-OE1 3.31Å; H13-E139 WeakPolarHBondContact CB-OE1 3.45Å; H13-E139 IonicContact CE1-OE2 3.27Å; H13-E139 IonicContact CG-OE1 2.75Å; H13-E139 IonicContact CG-OE2 3.91Å; H13-E139 PolarHBondContact N-OE1 3.5Å; H13-E139 IonicContact ND1-OE1 3.25Å; H13-E139 IonicContact ND1-OE2 3.58Å; H13-E139 PolarHBondContact ND1-OE2 3.34Å; H13-M140 HydrophobicContact CB-SD 4.4Å |
| 14 | A | 97.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -61.2 | 137.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | S11 S16 Y18 A20 P104 | S11-A14 VanDerWaalsContact O-CB 3.3Å; S11-A14 WeakPolarHBondContact O-CB 3.03Å; S11-A14 PolarHBondContact O-N 3.15Å; S11-A14 VanDerWaalsContact O-N 3.13Å; A14-S16 PolarHBondContact O-N 3.27Å; A14-Y18 HydrophobicContact CB-CD2 4.31Å; A14-Y18 HydrophobicContact CB-CE2 3.56Å; A14-A20 HydrophobicContact CB-CB 4.02Å; A14-P104 HydrophobicContact CB-CG 4.33Å |
| 15 | G | 97.4 | Very high | 95 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y18 | G15-Y18 WeakPolarHBondContact CA-O 3.46Å; G15-Y18 PolarHBondContact N-O 3.34Å |
| 16 | S | 96.6 | Very high | 96.4 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -50.3 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 113 | H13 A14 | H13-S16 PolarHBondContact O-N 3.17Å; H13-S16 PolarHBondContact O-OG 3.36Å; A14-S16 PolarHBondContact O-N 3.27Å |
| 17 | W | 98 | Very high | 97.5 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 33% | 0.326 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -23.9 | 180 | -71.2 | 56.1 | 0 | 0 | 0 | 113.2 | H13 H53 G55 Y56 H136 M140 | H13-W17 HydrophobicContact CB-CB 4.05Å; H13-W17 HydrophobicContact CB-CG 4.11Å; H13-W17 AromaticContact CD2-CD1 3.59Å; H13-W17 AromaticContact CD2-CE2 3.95Å; H13-W17 AromaticContact CD2-CG 3.92Å; H13-W17 AromaticContact CD2-NE1 3.62Å; H13-W17 PolarHBondContact O-N 2.88Å; W17-H53 WeakPolarHBondContact CZ3-O 3.25Å; W17-G55 VanDerWaalsContact CE3-N 3.26Å; W17-G55 CarbonylContact O-C 3.59Å; W17-G55 WeakPolarHBondContact O-CA 3.42Å; W17-Y56 PolarHBondContact O-N 3.08Å; W17-H136 AromaticContact CH2-CD2 3.69Å; W17-H136 AromaticContact CH2-NE2 3.77Å; W17-H136 AromaticContact CZ3-CD2 3.5Å; W17-H136 AromaticContact CZ3-NE2 3.91Å; W17-M140 HydrophobicContact CB-CE 3.79Å; W17-M140 HydrophobicContact CB-SD 3.58Å; W17-M140 VanDerWaalsContact CB-SD 3.58Å; W17-M140 HydrophobicContact CD2-SD 4.26Å; W17-M140 HydrophobicContact CE3-CE 4.1Å; W17-M140 HydrophobicContact CE3-CG 4.27Å; W17-M140 HydrophobicContact CE3-SD 3.87Å; W17-M140 HydrophobicContact CG-SD 4.18Å |
| 18 | Y | 98.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -148 | 160.1 | 172 | 53.7 | -91.5 | 0 | 0 | 0 | 108.4 | S11 H13 A14 G15 L25 P104 E139 M140 P143 | S11-Y18 WeakPolarHBondContact CB-OH 3.33Å; H13-Y18 HydrophobicContact CB-CE1 3.89Å; A14-Y18 HydrophobicContact CB-CD2 4.31Å; A14-Y18 HydrophobicContact CB-CE2 3.56Å; G15-Y18 WeakPolarHBondContact CA-O 3.46Å; G15-Y18 PolarHBondContact N-O 3.34Å; Y18-L25 HydrophobicContact CD2-CD2 4.08Å; Y18-P104 HydrophobicContact CD2-CG 4.25Å; Y18-P104 HydrophobicContact CE2-CG 3.78Å; Y18-E139 HydrophobicContact CE1-CG 4.39Å; Y18-E139 PolarHBondContact OH-OE1 3.48Å; Y18-M140 HydrophobicContact CD1-CE 3.86Å; Y18-M140 HydrophobicContact CD1-SD 3.66Å; Y18-M140 HydrophobicContact CE1-SD 3.79Å; Y18-P143 HydrophobicContact CD1-CG 4.38Å; Y18-P143 HydrophobicContact CD2-CG 3.97Å; Y18-P143 HydrophobicContact CE1-CG 4.3Å; Y18-P143 HydrophobicContact CE2-CG 3.86Å; Y18-P143 HydrophobicContact CG-CG 4.24Å |
| 19 | S | 97.9 | Very high | 97.8 | Very high | 20 Ų | 20 | 53 Ų | 53 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | trans | -64.3 | 138.7 | -178 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | D21 E24 | S19-D21 VanDerWaalsContact C-N 3.31Å; S19-D21 PolarHBondContact OG-N 3.29Å; S19-E24 WeakPolarHBondContact CB-OE2 3.39Å; S19-E24 PolarHBondContact OG-OE2 2.92Å | ||
| 20 | A | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 48% | 0.479 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -80.1 | -17.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | A14 R22 | A14-A20 HydrophobicContact CB-CB 4.02Å; A20-R22 PolarHBondContact O-N 3.07Å |
| 21 | D | 98.2 | Very high | 97.8 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -78.1 | 119.7 | 176.3 | -175.9 | -80.7 | 0 | 0 | 0 | 110 | S19 T23 E24 L25 | S19-D21 VanDerWaalsContact C-N 3.31Å; S19-D21 PolarHBondContact OG-N 3.29Å; D21-T23 VanDerWaalsContact C-N 3.27Å; D21-T23 PolarHBondContact O-N 3.14Å; D21-T23 WeakPolarHBondContact OD1-CA 3.5Å; D21-T23 VanDerWaalsContact OD1-CB 3.3Å; D21-T23 WeakPolarHBondContact OD1-CB 3.49Å; D21-T23 PolarHBondContact OD1-N 3.17Å; D21-E24 HydrophobicContact CB-CB 3.97Å; D21-E24 PolarHBondContact O-N 2.85Å; D21-E24 PolarHBondContact OD1-N 2.78Å; D21-L25 VanDerWaalsContact O-CB 3.26Å; D21-L25 WeakPolarHBondContact O-CB 3.27Å; D21-L25 PolarHBondContact O-N 3.49Å | ||
| 22 | R | 98.1 | Very high | 97.9 | Very high | 147 Ų | 147 | 57.1 Ų | 57.1 | 56% | 0.555 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.4 | -38.3 | -177.5 | -177.3 | 179.3 | 174 | 172.1 | -1 | 112.9 | A20 S26 F105 | A20-R22 PolarHBondContact O-N 3.07Å; R22-S26 WeakPolarHBondContact O-CB 3.2Å; R22-S26 PolarHBondContact O-N 3.45Å; R22-F105 HydrophobicContact CG-CD1 3.64Å; R22-F105 HydrophobicContact CG-CE1 3.98Å; R22-F105 WeakPolarHBondContact O-CE1 3.16Å |
| 23 | T | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 67% | 0.669 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -75.8 | -47.2 | -174.7 | -53 | 0 | 0 | 0 | 0 | 110.1 | D21 L25 S26 S27 | D21-T23 VanDerWaalsContact C-N 3.27Å; D21-T23 PolarHBondContact O-N 3.14Å; D21-T23 WeakPolarHBondContact OD1-CA 3.5Å; D21-T23 VanDerWaalsContact OD1-CB 3.3Å; D21-T23 WeakPolarHBondContact OD1-CB 3.49Å; D21-T23 PolarHBondContact OD1-N 3.17Å; T23-L25 VanDerWaalsContact C-N 3.35Å; T23-L25 PolarHBondContact O-N 3.48Å; T23-S26 PolarHBondContact O-N 2.78Å; T23-S27 WeakPolarHBondContact O-CB 3.25Å; T23-S27 PolarHBondContact O-N 3.31Å |
| 24 | E | 98.4 | Very high | 98 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.7 | -172.5 | -170 | 175.8 | 0 | 0 | 110.7 | S19 D21 S26 S27 Q28 | S19-E24 WeakPolarHBondContact CB-OE2 3.39Å; S19-E24 PolarHBondContact OG-OE2 2.92Å; D21-E24 HydrophobicContact CB-CB 3.97Å; D21-E24 PolarHBondContact O-N 2.85Å; D21-E24 PolarHBondContact OD1-N 2.78Å; E24-S26 PolarHBondContact O-N 3.5Å; E24-S27 PolarHBondContact O-N 2.88Å; E24-Q28 WeakPolarHBondContact O-CB 3.49Å; E24-Q28 PolarHBondContact O-N 2.87Å |
| 25 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 179.7 | -171.5 | 60.5 | 0 | 0 | 0 | 111.5 | Y18 D21 T23 S27 Q28 L29 Y56 P104 F105 P143 | Y18-L25 HydrophobicContact CD2-CD2 4.08Å; D21-L25 VanDerWaalsContact O-CB 3.26Å; D21-L25 WeakPolarHBondContact O-CB 3.27Å; D21-L25 PolarHBondContact O-N 3.49Å; T23-L25 VanDerWaalsContact C-N 3.35Å; T23-L25 PolarHBondContact O-N 3.48Å; L25-S27 PolarHBondContact O-N 3.37Å; L25-Q28 PolarHBondContact O-N 2.86Å; L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CD1-CG 4.31Å; L25-L29 HydrophobicContact CG-CD1 4.18Å; L25-L29 HydrophobicContact CG-CG 4.44Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.04Å; L25-Y56 HydrophobicContact CD1-CD2 4.03Å; L25-Y56 HydrophobicContact CD1-CE2 4.09Å; L25-P104 HydrophobicContact CD2-CB 4.02Å; L25-P104 HydrophobicContact CD2-CG 3.87Å; L25-F105 HydrophobicContact CB-CZ 4.04Å; L25-F105 HydrophobicContact CD2-CE2 3.75Å; L25-F105 HydrophobicContact CD2-CZ 3.81Å; L25-F105 HydrophobicContact CG-CE2 4.06Å; L25-F105 HydrophobicContact CG-CZ 3.71Å; L25-P143 HydrophobicContact CD2-CB 3.91Å |
| 26 | S | 98.5 | Very high | 98 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 175.5 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | R22 T23 E24 Q28 L29 D30 H147 | R22-S26 WeakPolarHBondContact O-CB 3.2Å; R22-S26 PolarHBondContact O-N 3.45Å; T23-S26 PolarHBondContact O-N 2.78Å; E24-S26 PolarHBondContact O-N 3.5Å; S26-Q28 VanDerWaalsContact C-N 3.3Å; S26-Q28 PolarHBondContact O-N 2.62Å; S26-L29 PolarHBondContact O-N 2.84Å; S26-D30 WeakPolarHBondContact O-CB 3.26Å; S26-D30 PolarHBondContact O-N 3.37Å; S26-D30 VanDerWaalsContact O-OD2 3.13Å; S26-D30 PolarHBondContact OG-OD2 2.81Å; S26-H147 PolarHBondContact OG-CE1 3.21Å |
| 27 | S | 98.5 | Very high | 97.6 | Very high | 74 Ų | 74 | 64.1 Ų | 64.1 | 52% | 0.517 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | -177.3 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | T23 E24 L25 T31 | T23-S27 WeakPolarHBondContact O-CB 3.25Å; T23-S27 PolarHBondContact O-N 3.31Å; E24-S27 PolarHBondContact O-N 2.88Å; L25-S27 PolarHBondContact O-N 3.37Å; S27-T31 WeakPolarHBondContact O-CB 3.49Å; S27-T31 PolarHBondContact O-N 2.84Å; S27-T31 PolarHBondContact O-OG1 2.77Å |
| 28 | Q | 98.5 | Very high | 96.9 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 27% | 0.271 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 178.1 | -179.2 | 175.4 | 79.6 | 0 | 0 | 111.5 | E24 L25 S26 T31 W32 | E24-Q28 WeakPolarHBondContact O-CB 3.49Å; E24-Q28 PolarHBondContact O-N 2.87Å; L25-Q28 PolarHBondContact O-N 2.86Å; S26-Q28 VanDerWaalsContact C-N 3.3Å; S26-Q28 PolarHBondContact O-N 2.62Å; Q28-T31 PolarHBondContact O-N 2.88Å; Q28-W32 HydrophobicContact CG-CD2 4.03Å; Q28-W32 HydrophobicContact CG-CE3 3.82Å; Q28-W32 HydrophobicContact CG-CH2 3.36Å; Q28-W32 HydrophobicContact CG-CZ2 3.57Å; Q28-W32 HydrophobicContact CG-CZ3 3.5Å; Q28-W32 VanDerWaalsContact CG-CZ3 3.5Å; Q28-W32 PolarHBondContact O-N 3.32Å; Q28-W32 VanDerWaalsContact O-N 3.09Å; Q28-W32 VanDerWaalsContact OE1-CH2 3.23Å |
| 29 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 177.9 | -62.9 | 179.3 | 0 | 0 | 0 | 111.7 | L25 S26 T31 W32 L33 Y56 F105 P143 Y144 H147 | L25-L29 HydrophobicContact CD1-CD1 4.42Å; L25-L29 HydrophobicContact CD1-CG 4.31Å; L25-L29 HydrophobicContact CG-CD1 4.18Å; L25-L29 HydrophobicContact CG-CG 4.44Å; L25-L29 VanDerWaalsContact O-CG 3.25Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 3.04Å; S26-L29 PolarHBondContact O-N 2.84Å; L29-T31 PolarHBondContact O-N 2.98Å; L29-W32 HydrophobicContact CD2-CE3 4.15Å; L29-W32 HydrophobicContact CD2-CZ3 4.25Å; L29-W32 PolarHBondContact O-N 2.85Å; L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CD1 3.37Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.24Å; L29-Y56 HydrophobicContact CD2-CD2 4.1Å; L29-Y56 HydrophobicContact CD2-CE2 3.75Å; L29-F105 HydrophobicContact CD1-CE2 3.87Å; L29-F105 HydrophobicContact CD1-CZ 3.94Å; L29-P143 HydrophobicContact CD1-CB 4.5Å; L29-Y144 HydrophobicContact CB-CE1 4.43Å; L29-Y144 HydrophobicContact CD2-CD1 3.93Å; L29-Y144 HydrophobicContact CD2-CD2 3.99Å; L29-Y144 HydrophobicContact CD2-CE1 3.56Å; L29-Y144 HydrophobicContact CD2-CE2 3.64Å; L29-Y144 HydrophobicContact CD2-CG 4.12Å; L29-Y144 VanDerWaalsContact CD2-CZ 3.4Å; L29-Y144 HydrophobicContact CG-CE1 4.47Å; L29-H147 HydrophobicContact CD1-CB 3.7Å |
| 30 | D | 98.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 175.6 | -74.6 | -38.4 | 0 | 0 | 0 | 110.7 | S26 W32 L33 E34 H147 K150 | S26-D30 WeakPolarHBondContact O-CB 3.26Å; S26-D30 PolarHBondContact O-N 3.37Å; S26-D30 VanDerWaalsContact O-OD2 3.13Å; S26-D30 PolarHBondContact OG-OD2 2.81Å; D30-W32 PolarHBondContact O-N 3.01Å; D30-L33 PolarHBondContact O-N 2.65Å; D30-E34 WeakPolarHBondContact O-CB 3.19Å; D30-E34 VanDerWaalsContact O-CG 3.25Å; D30-E34 WeakPolarHBondContact O-CG 3.4Å; D30-E34 PolarHBondContact O-N 3.17Å; D30-H147 VanDerWaalsContact CG-CE1 3.48Å; D30-H147 VanDerWaalsContact CG-NE2 3.3Å; D30-H147 IonicContact OD1-CD2 3.82Å; D30-H147 IonicContact OD1-CE1 3.15Å; D30-H147 PolarHBondContact OD1-CE1 3.35Å; D30-H147 IonicContact OD1-NE2 2.67Å; D30-H147 PolarHBondContact OD1-NE2 3.13Å; D30-H147 IonicContact OD2-CE1 3.36Å; D30-H147 PolarHBondContact OD2-CE1 3.28Å; D30-H147 IonicContact OD2-NE2 3.66Å; D30-K150 IonicContact OD1-NZ 2.93Å |
| 31 | T | 98.5 | Very high | 93.7 | Very high | 81 Ų | 81 | 69.2 Ų | 69.2 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 178.1 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | S27 Q28 L29 S35 | S27-T31 WeakPolarHBondContact O-CB 3.49Å; S27-T31 PolarHBondContact O-N 2.84Å; S27-T31 PolarHBondContact O-OG1 2.77Å; Q28-T31 PolarHBondContact O-N 2.88Å; L29-T31 PolarHBondContact O-N 2.98Å; T31-S35 PolarHBondContact O-N 2.73Å; T31-S35 VanDerWaalsContact O-N 3.15Å |
| 32 | W | 98.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 73.5 Ų | 73.5 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.2 | -44 | 179 | -68.7 | -30.3 | 0 | 0 | 0 | 112.2 | Q28 L29 D30 E34 S35 C36 Y56 L61 A64 Y144 | Q28-W32 HydrophobicContact CG-CD2 4.03Å; Q28-W32 HydrophobicContact CG-CE3 3.82Å; Q28-W32 HydrophobicContact CG-CH2 3.36Å; Q28-W32 HydrophobicContact CG-CZ2 3.57Å; Q28-W32 HydrophobicContact CG-CZ3 3.5Å; Q28-W32 VanDerWaalsContact CG-CZ3 3.5Å; Q28-W32 PolarHBondContact O-N 3.32Å; Q28-W32 VanDerWaalsContact O-N 3.09Å; Q28-W32 VanDerWaalsContact OE1-CH2 3.23Å; L29-W32 HydrophobicContact CD2-CE3 4.15Å; L29-W32 HydrophobicContact CD2-CZ3 4.25Å; L29-W32 PolarHBondContact O-N 2.85Å; D30-W32 PolarHBondContact O-N 3.01Å; W32-E34 VanDerWaalsContact C-N 3.3Å; W32-E34 PolarHBondContact O-N 2.92Å; W32-S35 PolarHBondContact O-N 3.22Å; W32-S35 PolarHBondContact O-OG 2.9Å; W32-C36 PolarHBondContact O-N 2.89Å; W32-C36 PolarHBondContact O-SG 2.86Å; W32-Y56 WeakPolarHBondContact CH2-O 2.77Å; W32-Y56 HydrophobicContact CZ3-CD2 4.12Å; W32-Y56 HydrophobicContact CZ3-CG 4.23Å; W32-L61 HydrophobicContact CB-CD1 3.99Å; W32-L61 HydrophobicContact CD2-CB 4.41Å; W32-L61 HydrophobicContact CG-CB 4.1Å; W32-L61 HydrophobicContact CG-CD1 4.09Å; W32-A64 HydrophobicContact CB-CB 3.76Å; W32-Y144 VanDerWaalsContact CE3-OH 3.29Å |
| 33 | L | 97.8 | Very high | 91.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 178.3 | -71.2 | 168.1 | 0 | 0 | 0 | 112.2 | L29 D30 S35 C36 A64 R68 Y144 I148 | L29-L33 WeakPolarHBondContact O-CB 3.48Å; L29-L33 WeakPolarHBondContact O-CD1 3.37Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.24Å; D30-L33 PolarHBondContact O-N 2.65Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-C36 PolarHBondContact O-N 2.84Å; L33-A64 HydrophobicContact CD2-CB 4.2Å; L33-R68 HydrophobicContact CD2-CB 3.93Å; L33-R68 VanDerWaalsContact O-CD 3.28Å; L33-R68 WeakPolarHBondContact O-CD 3.05Å; L33-Y144 HydrophobicContact CD1-CE1 4.39Å; L33-Y144 HydrophobicContact CD2-CE1 4.06Å; L33-Y144 HydrophobicContact CG-CE1 4.12Å; L33-I148 HydrophobicContact CD1-CD1 4.48Å; L33-I148 HydrophobicContact CD1-CG1 4.2Å; L33-I148 HydrophobicContact CD2-CD1 4.22Å |
| 34 | E | 96.7 | Very high | 90.6 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.3 | -28.9 | 177.3 | -73.5 | 172.8 | -178.5 | 0 | 0 | 112.8 | D30 W32 C36 | D30-E34 WeakPolarHBondContact O-CB 3.19Å; D30-E34 VanDerWaalsContact O-CG 3.25Å; D30-E34 WeakPolarHBondContact O-CG 3.4Å; D30-E34 PolarHBondContact O-N 3.17Å; W32-E34 VanDerWaalsContact C-N 3.3Å; W32-E34 PolarHBondContact O-N 2.92Å; E34-C36 VanDerWaalsContact C-N 3.27Å; E34-C36 PolarHBondContact O-N 2.96Å |
| 35 | S | 96.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 53% | 0.531 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.8 | -12.7 | 176.1 | 74.7 | 0 | 0 | 0 | 0 | 114.2 | T31 W32 L33 L61 | T31-S35 PolarHBondContact O-N 2.73Å; T31-S35 VanDerWaalsContact O-N 3.15Å; W32-S35 PolarHBondContact O-N 3.22Å; W32-S35 PolarHBondContact O-OG 2.9Å; L33-S35 VanDerWaalsContact C-N 3.33Å; S35-L61 WeakPolarHBondContact OG-CD1 3.37Å |
| 36 | C | 96.3 | Very high | 90.1 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -95.3 | 136.6 | -178.1 | -64 | 0 | 0 | 0 | 0 | 112.2 | W32 L33 E34 H65 R68 | W32-C36 PolarHBondContact O-N 2.89Å; W32-C36 PolarHBondContact O-SG 2.86Å; L33-C36 PolarHBondContact O-N 2.84Å; E34-C36 VanDerWaalsContact C-N 3.27Å; E34-C36 PolarHBondContact O-N 2.96Å; C36-H65 PolarHBondContact SG-CD2 2.82Å; C36-H65 VanDerWaalsContact SG-CG 3.58Å; C36-H65 PolarHBondContact SG-N 2.8Å; C36-R68 HydrophobicContact CB-CB 4.19Å; C36-R68 HydrophobicContact CB-CG 4.19Å |
| 37 | E | 89.5 | Confident | 90 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | trans | -69 | 143.7 | 174.9 | -62.5 | -179.4 | 168.6 | 0 | 0 | 112.2 | N39 | E37-N39 WeakPolarHBondContact CB-ND2 3.3Å; E37-N39 PolarHBondContact O-N 3.05Å; E37-N39 PolarHBondContact OE2-ND2 3.45Å | ||
| 38 | N | 83.8 | Confident | 90 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -99.2 | 73.9 | 174 | -169.2 | 13.7 | 0 | 0 | 0 | 111 | V40 R68 L69 | N38-V40 VanDerWaalsContact C-N 3.28Å; N38-V40 PolarHBondContact O-N 2.88Å; N38-R68 VanDerWaalsContact CG-NH1 3.32Å; N38-R68 PolarHBondContact ND2-NH1 2.65Å; N38-R68 VanDerWaalsContact ND2-NH1 3.16Å; N38-L69 WeakPolarHBondContact OD1-CD2 3.16Å | ||
| 39 | N | 76.6 | Confident | 90 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | trans | -90.2 | 24.7 | -172.6 | -65.8 | -24.4 | 0 | 0 | 0 | 114.5 | E37 K275 | E37-N39 WeakPolarHBondContact CB-ND2 3.3Å; E37-N39 PolarHBondContact O-N 3.05Å; E37-N39 PolarHBondContact OE2-ND2 3.45Å; N39-K275 PolarHBondContact O-NZ 2.9Å; N39-K275 VanDerWaalsContact O-NZ 3.15Å | ||
| 40 | V | 73.7 | Confident | 90 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 121.8 | 172.3 | 174.5 | 0 | 0 | 0 | 0 | 108.2 | N38 S44 L69 V301 | N38-V40 VanDerWaalsContact C-N 3.28Å; N38-V40 PolarHBondContact O-N 2.88Å; V40-S44 VanDerWaalsContact CG1-CB 3.41Å; V40-L69 HydrophobicContact CB-CD2 4.42Å; V40-L69 HydrophobicContact CG2-CB 4.01Å; V40-L69 HydrophobicContact CG2-CD1 3.62Å; V40-L69 HydrophobicContact CG2-CD2 3.71Å; V40-L69 HydrophobicContact CG2-CG 3.96Å; V40-V301 HydrophobicContact CG2-CG1 4.37Å |
| 41 | S | 76 | Confident | 90 | Very high | 77 Ų | 77 | 51.8 Ų | 51.8 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 143.7 | 177.7 | -51.1 | 0 | 0 | 0 | 0 | 110.5 | G43 S44 | S41-G43 PolarHBondContact O-N 2.99Å; S41-S44 WeakPolarHBondContact O-CB 3.47Å; S41-S44 PolarHBondContact O-N 3.39Å; S41-S44 PolarHBondContact O-OG 3.27Å |
| 42 | N | 71.8 | Confident | 90.1 | Very high | 173 Ų | 173 | 48.1 Ų | 48.1 | 93% | 0.925 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 135.2 | 171.7 | -74.6 | -10.3 | 0 | 0 | 0 | 110.5 | S44 | N42-S44 VanDerWaalsContact C-N 3.33Å; N42-S44 PolarHBondContact O-N 3.38Å |
| 43 | G | 72.4 | Confident | 90 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -17.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S41 E304 | S41-G43 PolarHBondContact O-N 2.99Å; G43-E304 VanDerWaalsContact O-CG 3.3Å; G43-E304 WeakPolarHBondContact O-CG 3.3Å |
| 44 | S | 84.5 | Confident | 90 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | trans | -74 | 138.2 | 175.8 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | V40 S41 N42 S302 | V40-S44 VanDerWaalsContact CG1-CB 3.41Å; S41-S44 WeakPolarHBondContact O-CB 3.47Å; S41-S44 PolarHBondContact O-N 3.39Å; S41-S44 PolarHBondContact O-OG 3.27Å; N42-S44 VanDerWaalsContact C-N 3.33Å; N42-S44 PolarHBondContact O-N 3.38Å; S44-S302 WeakPolarHBondContact CA-O 3.4Å | ||
| 45 | L | 91.5 | Very high | 90.1 | Very high | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.8 | 176.6 | -62.6 | 175.8 | 0 | 0 | 0 | 110.6 | R47 E185 V301 S302 | L45-R47 PolarHBondContact O-N 3.2Å; L45-E185 HydrophobicContact CD1-CB 4.27Å; L45-E185 VanDerWaalsContact CD1-CD 3.48Å; L45-E185 HydrophobicContact CD1-CG 3.96Å; L45-E185 WeakPolarHBondContact CD1-OE2 3.45Å; L45-V301 CarbonylContact O-C 3.58Å; L45-V301 VanDerWaalsContact O-CA 3.23Å; L45-V301 WeakPolarHBondContact O-CA 3.29Å; L45-S302 PolarHBondContact N-O 3.31Å; L45-S302 PolarHBondContact O-N 2.8Å |
| 46 | V | 95 | Very high | 90.2 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.3 | 169.8 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | I49 L69 L188 A299 V301 | V46-I49 HydrophobicContact CG1-CG2 3.66Å; V46-L69 HydrophobicContact CG2-CB 3.72Å; V46-L69 WeakPolarHBondContact CG2-O 3.36Å; V46-L188 HydrophobicContact CG1-CD1 4.03Å; V46-A299 HydrophobicContact CG1-CB 4.37Å; V46-V301 HydrophobicContact CG2-CG1 4.25Å |
| 47 | R | 96.7 | Very high | 90.2 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 6% | 0.06 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -35.5 | -177.5 | -55.9 | -52.3 | -59.6 | -91.5 | 8.8 | 112.4 | L45 L182 L183 D184 F189 L272 L300 S302 | L45-R47 PolarHBondContact O-N 3.2Å; R47-L182 HydrophobicContact CB-CD1 4.2Å; R47-L182 PolarHBondContact NH2-O 3.27Å; R47-L183 PolarHBondContact NH2-O 2.85Å; R47-D184 PolarHBondContact NH2-O 3.09Å; R47-F189 PolarHBondContact O-N 2.9Å; R47-L272 HydrophobicContact CG-CD2 4.06Å; R47-L300 HydrophobicContact CB-CD2 4.16Å; R47-L300 HydrophobicContact CB-CG 4.45Å; R47-L300 PolarHBondContact N-O 3.08Å; R47-S302 WeakPolarHBondContact CD-OG 3.29Å |
| 48 | A | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F189 L257 A299 L300 | A48-F189 CarbonylContact C-O 3.59Å; A48-F189 WeakPolarHBondContact CA-O 3.37Å; A48-F189 HydrophobicContact CB-CB 3.72Å; A48-L257 HydrophobicContact CB-CD1 4Å; A48-L257 HydrophobicContact CB-CD2 4.33Å; A48-A299 CarbonylContact O-C 3.58Å; A48-A299 WeakPolarHBondContact O-CA 3.38Å; A48-L300 HydrophobicContact CB-CB 3.84Å; A48-L300 HydrophobicContact CB-CD2 4.04Å; A48-L300 PolarHBondContact N-O 3.09Å; A48-L300 PolarHBondContact O-N 3.37Å |
| 49 | I | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 149.4 | 166.2 | 62.6 | 175.4 | 0 | 0 | 0 | 109.8 | V46 V51 A66 Y67 I70 F189 V190 I191 C298 A299 | V46-I49 HydrophobicContact CG1-CG2 3.66Å; I49-V51 HydrophobicContact CB-CG1 4.32Å; I49-V51 HydrophobicContact CD1-CG1 3.8Å; I49-V51 HydrophobicContact CD1-CG2 4.17Å; I49-V51 HydrophobicContact CG1-CG1 4.17Å; I49-V51 HydrophobicContact CG1-CG2 4.34Å; I49-A66 HydrophobicContact CB-CB 3.9Å; I49-A66 HydrophobicContact CD1-CB 4.35Å; I49-A66 HydrophobicContact CG2-CB 3.88Å; I49-Y67 HydrophobicContact CD1-CD1 3.95Å; I49-Y67 HydrophobicContact CD1-CD2 4.32Å; I49-Y67 HydrophobicContact CD1-CE1 3.75Å; I49-Y67 HydrophobicContact CD1-CE2 4.15Å; I49-Y67 HydrophobicContact CD1-CG 4.21Å; I49-I70 HydrophobicContact CD1-CD1 4.18Å; I49-F189 PolarHBondContact N-O 2.74Å; I49-V190 HydrophobicContact CD1-CG1 4.2Å; I49-V190 HydrophobicContact CD1-CG2 4.03Å; I49-V190 HydrophobicContact CG1-CB 4.26Å; I49-V190 HydrophobicContact CG1-CG1 4.14Å; I49-V190 HydrophobicContact CG1-CG2 3.99Å; I49-I191 PolarHBondContact O-N 3.25Å; I49-C298 CarbonylContact C-O 3.4Å; I49-C298 VanDerWaalsContact CA-O 3.22Å; I49-C298 WeakPolarHBondContact CA-O 3.47Å; I49-C298 WeakPolarHBondContact CB-O 3.02Å; I49-A299 HydrophobicContact CG2-CB 4.35Å |
| 50 | I | 98.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.4 | 166.2 | -53 | 173.7 | 0 | 0 | 0 | 106.2 | I191 I229 I254 L257 L274 A297 C298 | I50-I191 VanDerWaalsContact CA-O 3.31Å; I50-I191 WeakPolarHBondContact CA-O 3.46Å; I50-I191 HydrophobicContact CG1-CB 4.14Å; I50-I229 HydrophobicContact CD1-CG2 3.74Å; I50-I254 HydrophobicContact CD1-CG1 4.43Å; I50-I254 HydrophobicContact CG2-CD1 4.33Å; I50-I254 HydrophobicContact CG2-CG1 4.35Å; I50-L257 HydrophobicContact CD1-CD2 4.28Å; I50-L257 HydrophobicContact CG1-CD2 4.24Å; I50-L274 HydrophobicContact CD1-CD1 4.01Å; I50-A297 CarbonylContact O-C 3.56Å; I50-A297 VanDerWaalsContact O-CA 3.32Å; I50-A297 WeakPolarHBondContact O-CA 3.43Å; I50-C298 HydrophobicContact CB-CB 4.03Å; I50-C298 HydrophobicContact CD1-CB 4.27Å; I50-C298 HydrophobicContact CG1-CB 4.3Å; I50-C298 PolarHBondContact N-O 3.17Å; I50-C298 PolarHBondContact O-N 3.02Å |
| 51 | V | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 149.9 | -172.4 | -74.3 | 0 | 0 | 0 | 0 | 111.7 | I49 A63 A66 Y67 V190 I191 S192 S193 | I49-V51 HydrophobicContact CB-CG1 4.32Å; I49-V51 HydrophobicContact CD1-CG1 3.8Å; I49-V51 HydrophobicContact CD1-CG2 4.17Å; I49-V51 HydrophobicContact CG1-CG1 4.17Å; I49-V51 HydrophobicContact CG1-CG2 4.34Å; V51-A63 HydrophobicContact CB-CB 4.31Å; V51-A63 HydrophobicContact CG1-CB 4.34Å; V51-A66 HydrophobicContact CG1-CB 3.62Å; V51-Y67 HydrophobicContact CB-CE2 4.38Å; V51-Y67 HydrophobicContact CG1-CD2 4.31Å; V51-Y67 HydrophobicContact CG1-CE2 4.17Å; V51-Y67 HydrophobicContact CG2-CE2 4.11Å; V51-V190 HydrophobicContact CG2-CG1 3.66Å; V51-I191 PolarHBondContact N-O 3.4Å; V51-S192 WeakPolarHBondContact O-CA 3.32Å; V51-S193 PolarHBondContact O-N 3Å |
| 52 | P | 98.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | trans | -71.2 | 164.4 | 179 | 32.4 | -38.5 | 0 | 0 | 0 | 112.7 | C62 A63 Q141 S193 D194 Y295 | P52-C62 HydrophobicContact CG-CB 4.32Å; P52-A63 HydrophobicContact CG-CB 4.14Å; P52-Q141 PolarHBondContact O-NE2 3.19Å; P52-S193 WeakPolarHBondContact CA-O 3.46Å; P52-D194 VanDerWaalsContact CA-OD1 3.29Å; P52-D194 WeakPolarHBondContact CA-OD1 3.15Å; P52-D194 WeakPolarHBondContact CB-OD1 3.48Å; P52-Y295 HydrophobicContact CB-CD1 3.76Å; P52-Y295 HydrophobicContact CB-CG 4.15Å | ||
| 53 | H | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | trans | -130.8 | 8.3 | 177.1 | 57.9 | -138.4 | 0 | 0 | 0 | 114.6 | W17 H85 H136 S137 M140 S192 D194 C249 | W17-H53 WeakPolarHBondContact CZ3-O 3.25Å; H53-H85 AromaticContact CE1-CE1 3.36Å; H53-H85 PolarHBondContact CE1-CE1 2.92Å; H53-H85 AromaticContact CE1-NE2 3.77Å; H53-H85 AromaticContact NE2-CE1 3.4Å; H53-H85 PolarHBondContact NE2-CE1 2.95Å; H53-H85 AromaticContact NE2-NE2 3.55Å; H53-H136 AromaticContact CD2-NE2 3.94Å; H53-S137 WeakPolarHBondContact ND1-CB 3.43Å; H53-M140 HydrophobicContact CB-CB 3.93Å; H53-M140 HydrophobicContact CB-CG 4.41Å; H53-M140 VanDerWaalsContact O-CG 3.27Å; H53-M140 WeakPolarHBondContact O-CG 3.37Å; H53-S192 WeakPolarHBondContact CB-OG 3.23Å; H53-S192 PolarHBondContact ND1-OG 3.36Å; H53-D194 VanDerWaalsContact CD2-CG 3.41Å; H53-D194 IonicContact CD2-OD1 2.69Å; H53-D194 IonicContact CD2-OD2 3.08Å; H53-D194 PolarHBondContact CD2-OD2 3Å; H53-D194 VanDerWaalsContact CD2-OD2 3.27Å; H53-D194 PolarHBondContact N-OD1 3.49Å; H53-D194 IonicContact NE2-OD2 3.3Å; H53-C249 PolarHBondContact CE1-SG 3.45Å; H53-C249 PolarHBondContact NE2-SG 2.61Å | ||
| 54 | A | 97.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 25 Ų | 25 | 7% | 0.074 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -60.1 | 168.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S59 M140 D194 Y295 | A54-S59 PolarHBondContact O-OG 3.4Å; A54-M140 WeakPolarHBondContact O-CE 3.33Å; A54-D194 WeakPolarHBondContact CB-OD2 3.45Å; A54-D194 PolarHBondContact N-OD1 3.46Å; A54-D194 PolarHBondContact N-OD2 2.95Å; A54-Y295 HydrophobicContact CB-CD1 4.35Å; A54-Y295 HydrophobicContact CB-CE1 3.42Å; A54-Y295 VanDerWaalsContact CB-CE1 3.42Å |
| 55 | G | 97.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | trans | -53.3 | 142.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W17 R57 H58 S59 | W17-G55 VanDerWaalsContact CE3-N 3.26Å; W17-G55 CarbonylContact O-C 3.59Å; W17-G55 WeakPolarHBondContact O-CA 3.42Å; G55-R57 PolarHBondContact O-N 3.28Å; G55-R57 VanDerWaalsContact O-N 3.08Å; G55-H58 PolarHBondContact O-N 3.48Å; G55-S59 PolarHBondContact O-N 3.49Å; G55-S59 VanDerWaalsContact O-N 3.15Å; G55-S59 PolarHBondContact O-OG 2.81Å | ||
| 56 | Y | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -28.6 | -169.8 | -82.6 | 10.7 | 0 | 0 | 0 | 113.7 | W17 L25 L29 W32 H58 G60 M140 P143 Y144 | W17-Y56 PolarHBondContact O-N 3.08Å; L25-Y56 HydrophobicContact CD1-CD2 4.03Å; L25-Y56 HydrophobicContact CD1-CE2 4.09Å; L29-Y56 HydrophobicContact CD2-CD2 4.1Å; L29-Y56 HydrophobicContact CD2-CE2 3.75Å; W32-Y56 WeakPolarHBondContact CH2-O 2.77Å; W32-Y56 HydrophobicContact CZ3-CD2 4.12Å; W32-Y56 HydrophobicContact CZ3-CG 4.23Å; Y56-H58 PolarHBondContact O-N 2.76Å; Y56-H58 VanDerWaalsContact O-N 3.14Å; Y56-G60 VanDerWaalsContact O-CA 3.3Å; Y56-G60 WeakPolarHBondContact O-CA 3.35Å; Y56-G60 PolarHBondContact O-N 3.49Å; Y56-M140 HydrophobicContact CD1-CE 3.5Å; Y56-M140 VanDerWaalsContact CD1-CE 3.5Å; Y56-M140 HydrophobicContact CE1-CE 3.59Å; Y56-M140 VanDerWaalsContact CE1-O 3.23Å; Y56-M140 WeakPolarHBondContact CE1-O 3.25Å; Y56-M140 HydrophobicContact CG-CE 4.43Å; Y56-M140 PolarHBondContact OH-O 3.1Å; Y56-P143 HydrophobicContact CE2-CB 4.09Å; Y56-P143 HydrophobicContact CE2-CG 4.36Å; Y56-P143 WeakPolarHBondContact OH-CB 3.3Å; Y56-P143 WeakPolarHBondContact OH-CD 3.49Å; Y56-Y144 HydrophobicContact CE1-CD2 4.24Å; Y56-Y144 HydrophobicContact CE1-CE2 4.38Å; Y56-Y144 HydrophobicContact CE2-CD2 4.22Å; Y56-Y144 HydrophobicContact CE2-CE2 4.31Å; Y56-Y144 AromaticContact CZ-CD2 3.73Å; Y56-Y144 WeakPolarHBondContact OH-CD2 3.23Å |
| 57 | R | 96.9 | Very high | 98 | Very high | 222 Ų | 222 | 23.4 Ų | 23.4 | 84% | 0.838 | 11% | 0.106 | S | C | * | . | H | α-helix | trans | -54.2 | -31.5 | 171.6 | -178.9 | 176.9 | 176.7 | 177.4 | 0.1 | 113.3 | G55 | G55-R57 PolarHBondContact O-N 3.28Å; G55-R57 VanDerWaalsContact O-N 3.08Å |
| 58 | H | 96.1 | Very high | 98 | Very high | 100 Ų | 100 | 27 Ų | 27 | 46% | 0.463 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -100.8 | -42.1 | -177.9 | -59 | -65.8 | 0 | 0 | 0 | 112.5 | G55 Y56 Y295 | G55-H58 PolarHBondContact O-N 3.48Å; Y56-H58 PolarHBondContact O-N 2.76Å; Y56-H58 VanDerWaalsContact O-N 3.14Å; H58-Y295 HydrophobicContact CB-CE2 3.87Å |
| 59 | S | 97.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -110.6 | -15.2 | -166.9 | 66.3 | 0 | 0 | 0 | 0 | 114 | A54 G55 L61 C62 A63 | A54-S59 PolarHBondContact O-OG 3.4Å; G55-S59 PolarHBondContact O-N 3.49Å; G55-S59 VanDerWaalsContact O-N 3.15Å; G55-S59 PolarHBondContact O-OG 2.81Å; S59-L61 PolarHBondContact O-N 2.92Å; S59-C62 WeakPolarHBondContact O-CB 3.34Å; S59-C62 PolarHBondContact O-N 2.97Å; S59-C62 VanDerWaalsContact O-N 3.13Å; S59-A63 PolarHBondContact O-N 2.98Å |
| 60 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y56 C62 A63 A64 Y144 | Y56-G60 VanDerWaalsContact O-CA 3.3Å; Y56-G60 WeakPolarHBondContact O-CA 3.35Å; Y56-G60 PolarHBondContact O-N 3.49Å; G60-C62 PolarHBondContact O-N 2.84Å; G60-A63 PolarHBondContact O-N 3.03Å; G60-A64 PolarHBondContact O-N 2.89Å; G60-Y144 PolarHBondContact O-OH 2.78Å |
| 61 | L | 98.3 | Very high | 97.3 | Very high | 74 Ų | 74 | 32.7 Ų | 32.7 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 175.8 | 177.1 | 58 | 0 | 0 | 0 | 112.4 | W32 S35 S59 A63 A64 H65 | W32-L61 HydrophobicContact CB-CD1 3.99Å; W32-L61 HydrophobicContact CD2-CB 4.41Å; W32-L61 HydrophobicContact CG-CB 4.1Å; W32-L61 HydrophobicContact CG-CD1 4.09Å; S35-L61 WeakPolarHBondContact OG-CD1 3.37Å; S59-L61 PolarHBondContact O-N 2.92Å; L61-A63 PolarHBondContact O-N 3.01Å; L61-A64 VanDerWaalsContact O-CB 3.26Å; L61-A64 WeakPolarHBondContact O-CB 3.45Å; L61-A64 PolarHBondContact O-N 3Å; L61-H65 PolarHBondContact O-CD2 3.35Å |
| 62 | C | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | P52 S59 G60 A64 H65 T280 A297 | P52-C62 HydrophobicContact CG-CB 4.32Å; S59-C62 WeakPolarHBondContact O-CB 3.34Å; S59-C62 PolarHBondContact O-N 2.97Å; S59-C62 VanDerWaalsContact O-N 3.13Å; G60-C62 PolarHBondContact O-N 2.84Å; C62-A64 VanDerWaalsContact C-N 3.25Å; C62-A64 PolarHBondContact O-N 3.41Å; C62-H65 WeakPolarHBondContact O-CB 3.4Å; C62-H65 PolarHBondContact O-N 3.12Å; C62-T280 HydrophobicContact CB-CG2 3.89Å; C62-A297 WeakPolarHBondContact O-CB 3.48Å |
| 63 | A | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V51 P52 S59 G60 L61 H65 A66 Y67 Y144 | V51-A63 HydrophobicContact CB-CB 4.31Å; V51-A63 HydrophobicContact CG1-CB 4.34Å; P52-A63 HydrophobicContact CG-CB 4.14Å; S59-A63 PolarHBondContact O-N 2.98Å; G60-A63 PolarHBondContact O-N 3.03Å; L61-A63 PolarHBondContact O-N 3.01Å; A63-H65 PolarHBondContact O-N 2.99Å; A63-A66 PolarHBondContact O-N 2.93Å; A63-Y67 HydrophobicContact CB-CD2 4Å; A63-Y67 HydrophobicContact CB-CE2 4.2Å; A63-Y67 WeakPolarHBondContact O-CD2 3.34Å; A63-Y67 PolarHBondContact O-N 3.41Å; A63-Y67 VanDerWaalsContact O-N 3.07Å; A63-Y144 HydrophobicContact CB-CD2 4.39Å; A63-Y144 HydrophobicContact CB-CE2 3.95Å |
| 64 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.8 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W32 L33 G60 L61 C62 A66 Y67 R68 Y144 | W32-A64 HydrophobicContact CB-CB 3.76Å; L33-A64 HydrophobicContact CD2-CB 4.2Å; G60-A64 PolarHBondContact O-N 2.89Å; L61-A64 VanDerWaalsContact O-CB 3.26Å; L61-A64 WeakPolarHBondContact O-CB 3.45Å; L61-A64 PolarHBondContact O-N 3Å; C62-A64 VanDerWaalsContact C-N 3.25Å; C62-A64 PolarHBondContact O-N 3.41Å; A64-A66 PolarHBondContact O-N 3.26Å; A64-Y67 PolarHBondContact O-N 3.31Å; A64-R68 WeakPolarHBondContact O-CB 3.19Å; A64-R68 PolarHBondContact O-N 2.85Å; A64-Y144 HydrophobicContact CB-CE1 4.36Å; A64-Y144 WeakPolarHBondContact CB-OH 3.49Å |
| 65 | H | 98 | Very high | 96.5 | Very high | 41 Ų | 41 | 42.9 Ų | 42.9 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -34.6 | 178.5 | -77.8 | -91.3 | 0 | 0 | 0 | 113.2 | C36 L61 C62 A63 L69 L277 N278 A297 | C36-H65 PolarHBondContact SG-CD2 2.82Å; C36-H65 VanDerWaalsContact SG-CG 3.58Å; C36-H65 PolarHBondContact SG-N 2.8Å; L61-H65 PolarHBondContact O-CD2 3.35Å; C62-H65 WeakPolarHBondContact O-CB 3.4Å; C62-H65 PolarHBondContact O-N 3.12Å; A63-H65 PolarHBondContact O-N 2.99Å; H65-L69 WeakPolarHBondContact O-CG 3.5Å; H65-L277 HydrophobicContact CB-CB 4.04Å; H65-N278 HydrophobicContact CB-CB 3.93Å; H65-N278 VanDerWaalsContact CD2-CB 3.49Å; H65-N278 WeakPolarHBondContact CD2-CB 3.44Å; H65-N278 PolarHBondContact NE2-ND2 3.45Å; H65-A297 HydrophobicContact CB-CB 4.18Å |
| 66 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -86.4 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I49 V51 A63 A64 R68 L69 L277 A297 | I49-A66 HydrophobicContact CB-CB 3.9Å; I49-A66 HydrophobicContact CD1-CB 4.35Å; I49-A66 HydrophobicContact CG2-CB 3.88Å; V51-A66 HydrophobicContact CG1-CB 3.62Å; A63-A66 PolarHBondContact O-N 2.93Å; A64-A66 PolarHBondContact O-N 3.26Å; A66-R68 VanDerWaalsContact C-N 3.27Å; A66-R68 PolarHBondContact O-N 2.98Å; A66-L69 WeakPolarHBondContact O-CB 3.42Å; A66-L69 PolarHBondContact O-N 3.17Å; A66-L69 VanDerWaalsContact O-N 3.13Å; A66-L277 HydrophobicContact CB-CD1 3.83Å; A66-A297 HydrophobicContact CB-CB 4.14Å |
| 67 | Y | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -35.9 | -179.8 | -90.8 | -62.9 | 0 | 0 | 0 | 112.6 | I49 V51 A63 A64 L69 I70 Q141 Y144 I145 I148 V190 | I49-Y67 HydrophobicContact CD1-CD1 3.95Å; I49-Y67 HydrophobicContact CD1-CD2 4.32Å; I49-Y67 HydrophobicContact CD1-CE1 3.75Å; I49-Y67 HydrophobicContact CD1-CE2 4.15Å; I49-Y67 HydrophobicContact CD1-CG 4.21Å; V51-Y67 HydrophobicContact CB-CE2 4.38Å; V51-Y67 HydrophobicContact CG1-CD2 4.31Å; V51-Y67 HydrophobicContact CG1-CE2 4.17Å; V51-Y67 HydrophobicContact CG2-CE2 4.11Å; A63-Y67 HydrophobicContact CB-CD2 4Å; A63-Y67 HydrophobicContact CB-CE2 4.2Å; A63-Y67 WeakPolarHBondContact O-CD2 3.34Å; A63-Y67 PolarHBondContact O-N 3.41Å; A63-Y67 VanDerWaalsContact O-N 3.07Å; A64-Y67 PolarHBondContact O-N 3.31Å; Y67-L69 PolarHBondContact O-N 2.83Å; Y67-L69 VanDerWaalsContact O-N 3.12Å; Y67-I70 HydrophobicContact CD1-CD1 3.61Å; Y67-I70 HydrophobicContact CE1-CD1 4.14Å; Y67-I70 WeakPolarHBondContact O-CB 3.16Å; Y67-I70 PolarHBondContact O-N 2.76Å; Y67-I70 VanDerWaalsContact O-N 3.14Å; Y67-Q141 WeakPolarHBondContact OH-CB 3.22Å; Y67-Q141 PolarHBondContact OH-O 3.18Å; Y67-Q141 PolarHBondContact OH-OE1 3.13Å; Y67-Y144 HydrophobicContact CD1-CD1 4.39Å; Y67-Y144 HydrophobicContact CD1-CG 4.32Å; Y67-Y144 AromaticContact CD2-CD1 3.81Å; Y67-Y144 HydrophobicContact CD2-CD1 3.81Å; Y67-Y144 AromaticContact CD2-CD2 3.84Å; Y67-Y144 HydrophobicContact CD2-CD2 3.84Å; Y67-Y144 HydrophobicContact CD2-CE1 4.37Å; Y67-Y144 HydrophobicContact CD2-CE2 4.38Å; Y67-Y144 AromaticContact CD2-CG 3.53Å; Y67-Y144 HydrophobicContact CD2-CG 3.53Å; Y67-Y144 HydrophobicContact CE1-CG 4.5Å; Y67-Y144 HydrophobicContact CE2-CD1 4.46Å; Y67-Y144 AromaticContact CE2-CD2 3.87Å; Y67-Y144 HydrophobicContact CE2-CD2 3.87Å; Y67-Y144 AromaticContact CE2-CG 3.73Å; Y67-Y144 HydrophobicContact CE2-CG 3.73Å; Y67-Y144 AromaticContact CG-CD1 3.8Å; Y67-Y144 HydrophobicContact CG-CD1 3.8Å; Y67-Y144 HydrophobicContact CG-CE1 4.49Å; Y67-Y144 AromaticContact CG-CG 3.87Å; Y67-Y144 HydrophobicContact CG-CG 3.87Å; Y67-I145 HydrophobicContact CE1-CG1 3.92Å; Y67-I148 HydrophobicContact CD1-CD1 3.52Å; Y67-I148 HydrophobicContact CG-CD1 3.82Å; Y67-I148 VanDerWaalsContact O-CD1 3.22Å; Y67-I148 WeakPolarHBondContact O-CD1 3.22Å; Y67-V190 WeakPolarHBondContact OH-CG1 3.23Å |
| 68 | R | 95.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 35.4 Ų | 35.4 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.7 | 177.2 | 179.6 | 55.7 | -178.2 | 80.8 | -0 | 114.3 | L33 C36 N38 A64 A66 | L33-R68 HydrophobicContact CD2-CB 3.93Å; L33-R68 VanDerWaalsContact O-CD 3.28Å; L33-R68 WeakPolarHBondContact O-CD 3.05Å; C36-R68 HydrophobicContact CB-CB 4.19Å; C36-R68 HydrophobicContact CB-CG 4.19Å; N38-R68 VanDerWaalsContact CG-NH1 3.32Å; N38-R68 PolarHBondContact ND2-NH1 2.65Å; N38-R68 VanDerWaalsContact ND2-NH1 3.16Å; A64-R68 WeakPolarHBondContact O-CB 3.19Å; A64-R68 PolarHBondContact O-N 2.85Å; A66-R68 VanDerWaalsContact C-N 3.27Å; A66-R68 PolarHBondContact O-N 2.98Å |
| 69 | L | 95 | Very high | 96.7 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.073 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11 | -177.8 | -54.2 | -179.2 | 0 | 0 | 0 | 113 | N38 V40 V46 H65 A66 Y67 N71 L277 A299 | N38-L69 WeakPolarHBondContact OD1-CD2 3.16Å; V40-L69 HydrophobicContact CB-CD2 4.42Å; V40-L69 HydrophobicContact CG2-CB 4.01Å; V40-L69 HydrophobicContact CG2-CD1 3.62Å; V40-L69 HydrophobicContact CG2-CD2 3.71Å; V40-L69 HydrophobicContact CG2-CG 3.96Å; V46-L69 HydrophobicContact CG2-CB 3.72Å; V46-L69 WeakPolarHBondContact CG2-O 3.36Å; H65-L69 WeakPolarHBondContact O-CG 3.5Å; A66-L69 WeakPolarHBondContact O-CB 3.42Å; A66-L69 PolarHBondContact O-N 3.17Å; A66-L69 VanDerWaalsContact O-N 3.13Å; Y67-L69 PolarHBondContact O-N 2.83Å; Y67-L69 VanDerWaalsContact O-N 3.12Å; L69-N71 PolarHBondContact O-N 3.39Å; L69-L277 HydrophobicContact CD1-CD1 3.46Å; L69-L277 VanDerWaalsContact CD1-CD1 3.46Å; L69-L277 HydrophobicContact CD1-CD2 3.82Å; L69-L277 HydrophobicContact CD1-CG 4.29Å; L69-A299 HydrophobicContact CD1-CB 3.88Å |
| 70 | I | 94.3 | Very high | 96.8 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | trans | -73.5 | 121.1 | -178 | -64.8 | 168.2 | 0 | 0 | 0 | 109.5 | I49 Y67 P72 I75 I148 L188 | I49-I70 HydrophobicContact CD1-CD1 4.18Å; Y67-I70 HydrophobicContact CD1-CD1 3.61Å; Y67-I70 HydrophobicContact CE1-CD1 4.14Å; Y67-I70 WeakPolarHBondContact O-CB 3.16Å; Y67-I70 PolarHBondContact O-N 2.76Å; Y67-I70 VanDerWaalsContact O-N 3.14Å; I70-P72 WeakPolarHBondContact O-CD 3.2Å; I70-I75 HydrophobicContact CG2-CD1 3.46Å; I70-I75 VanDerWaalsContact CG2-CD1 3.46Å; I70-I148 HydrophobicContact CB-CG2 4.18Å; I70-I148 HydrophobicContact CG2-CG2 4.03Å; I70-L188 HydrophobicContact CD1-CD2 3.55Å; I70-L188 HydrophobicContact CG1-CD2 3.96Å; I70-L188 HydrophobicContact CG2-CD2 4.18Å | ||
| 71 | N | 92.4 | Very high | 96.8 | Very high | 91 Ų | 91 | 30.7 Ų | 30.7 | 49% | 0.487 | 15% | 0.149 | S | C | . | . | trans | -89.4 | 114.1 | 163.1 | -176.9 | -8.3 | 0 | 0 | 0 | 109.4 | L69 D73 I75 | L69-N71 PolarHBondContact O-N 3.39Å; N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 PolarHBondContact O-N 3.29Å; N71-D73 WeakPolarHBondContact OD1-CB 3.35Å; N71-D73 PolarHBondContact OD1-N 3.06Å; N71-D73 PolarHBondContact OD1-OD2 2.8Å; N71-I75 WeakPolarHBondContact O-CD1 3.25Å | ||
| 72 | P | 94.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 13% | 0.13 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -69.2 | -20.5 | -177.7 | 29.6 | -36.6 | 0 | 0 | 0 | 113.6 | I70 K74 I75 M149 R152 | I70-P72 WeakPolarHBondContact O-CD 3.2Å; P72-K74 VanDerWaalsContact C-N 3.25Å; P72-K74 PolarHBondContact O-N 2.79Å; P72-K74 VanDerWaalsContact O-N 3.08Å; P72-I75 PolarHBondContact O-N 2.92Å; P72-M149 HydrophobicContact CB-CE 3.98Å; P72-M149 HydrophobicContact CB-SD 3.52Å; P72-M149 VanDerWaalsContact CB-SD 3.52Å; P72-R152 WeakPolarHBondContact O-CD 3.37Å; P72-R152 PolarHBondContact O-NH1 3.44Å |
| 73 | D | 93.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 27.5 Ų | 27.5 | 48% | 0.481 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -62.5 | -23.8 | -163.4 | -69.7 | -17.7 | 0 | 0 | 0 | 115.3 | N71 R152 | N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 PolarHBondContact O-N 3.29Å; N71-D73 WeakPolarHBondContact OD1-CB 3.35Å; N71-D73 PolarHBondContact OD1-N 3.06Å; N71-D73 PolarHBondContact OD1-OD2 2.8Å; D73-R152 VanDerWaalsContact O-CZ 3.31Å; D73-R152 PolarHBondContact O-NH1 3.31Å |
| 74 | K | 90.6 | Very high | 96.8 | Very high | 105 Ų | 105 | 28.8 Ų | 28.8 | 46% | 0.457 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -108.8 | -12.3 | 178.9 | -66.2 | -175 | 178.9 | -179.6 | 0 | 114.6 | P72 K186 | P72-K74 VanDerWaalsContact C-N 3.25Å; P72-K74 PolarHBondContact O-N 2.79Å; P72-K74 VanDerWaalsContact O-N 3.08Å; K74-K186 WeakPolarHBondContact O-CA 3.31Å |
| 75 | I | 97.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 6% | 0.056 | 16% | 0.158 | C | C | . | . | trans | -79.8 | 126.3 | -173.1 | -63 | 168.9 | 0 | 0 | 0 | 111.3 | I70 N71 P72 I78 M149 R152 K186 L188 | I70-I75 HydrophobicContact CG2-CD1 3.46Å; I70-I75 VanDerWaalsContact CG2-CD1 3.46Å; N71-I75 WeakPolarHBondContact O-CD1 3.25Å; P72-I75 PolarHBondContact O-N 2.92Å; I75-I78 HydrophobicContact CG2-CD1 4.04Å; I75-I78 HydrophobicContact CG2-CG1 3.56Å; I75-M149 HydrophobicContact CB-CE 3.87Å; I75-M149 HydrophobicContact CG2-CE 3.94Å; I75-R152 VanDerWaalsContact N-NH1 3.19Å; I75-R152 PolarHBondContact O-NH1 3.3Å; I75-K186 CarbonylContact C-O 3.49Å; I75-K186 WeakPolarHBondContact CA-O 3.21Å; I75-L188 HydrophobicContact CD1-CB 3.97Å; I75-L188 HydrophobicContact CD1-CD2 3.95Å; I75-L188 HydrophobicContact CD1-CG 4.43Å; I75-L188 HydrophobicContact CG1-CB 4.35Å; I75-L188 HydrophobicContact CG2-CB 4.19Å | ||
| 76 | E | 98.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 37% | 0.369 | 18% | 0.18 | S | C | . | . | trans | -117 | -22.3 | 177.6 | -62.5 | 176.9 | -168.1 | 0 | 0 | 112.2 | Y156 S157 K186 | E76-Y156 CarbonylContact O-C 3.57Å; E76-Y156 WeakPolarHBondContact O-CA 3.39Å; E76-S157 PolarHBondContact O-N 3.5Å; E76-K186 HydrophobicContact CB-CB 4.2Å; E76-K186 VanDerWaalsContact CD-NZ 3.27Å; E76-K186 HydrophobicContact CG-CB 4.26Å; E76-K186 HydrophobicContact CG-CG 4.41Å; E76-K186 PolarHBondContact N-O 2.93Å; E76-K186 WeakPolarHBondContact OE1-CE 3.37Å; E76-K186 IonicContact OE1-NZ 3.89Å; E76-K186 PolarHBondContact OE1-NZ 3.47Å; E76-K186 WeakPolarHBondContact OE2-CD 3.46Å; E76-K186 IonicContact OE2-NZ 3.92Å; E76-K186 PolarHBondContact OE2-NZ 3.32Å; E76-K186 VanDerWaalsContact OE2-NZ 3.08Å | ||
| 77 | C | 98.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.2 | 178.7 | -165.6 | 0 | 0 | 0 | 0 | 111.2 | N111 S157 V159 K186 N187 L188 | C77-N111 PolarHBondContact SG-ND2 2.75Å; C77-N111 VanDerWaalsContact SG-ND2 3.41Å; C77-S157 CarbonylContact C-O 3.51Å; C77-S157 WeakPolarHBondContact CA-O 3.37Å; C77-V159 VanDerWaalsContact SG-CG2 3.58Å; C77-K186 PolarHBondContact N-O 3.28Å; C77-N187 WeakPolarHBondContact CB-OD1 3.36Å; C77-N187 VanDerWaalsContact O-CA 3.3Å; C77-N187 WeakPolarHBondContact O-CA 3.27Å; C77-L188 PolarHBondContact O-N 3.4Å |
| 78 | I | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112.1 | 177.8 | -54.8 | 176.1 | 0 | 0 | 0 | 109.3 | I75 I80 I145 M149 Y156 S157 I158 V159 L188 V190 | I75-I78 HydrophobicContact CG2-CD1 4.04Å; I75-I78 HydrophobicContact CG2-CG1 3.56Å; I78-I80 HydrophobicContact CG2-CG1 4.21Å; I78-I145 HydrophobicContact CD1-CG2 3.65Å; I78-I145 HydrophobicContact CG2-CD1 4.06Å; I78-M149 HydrophobicContact CD1-CE 4.43Å; I78-M149 HydrophobicContact CD1-CG 3.81Å; I78-M149 HydrophobicContact CD1-SD 4.2Å; I78-Y156 HydrophobicContact CD1-CD2 3.95Å; I78-Y156 HydrophobicContact CD1-CE2 4.13Å; I78-Y156 HydrophobicContact CG1-CD2 4.38Å; I78-S157 PolarHBondContact N-O 2.66Å; I78-I158 HydrophobicContact CB-CG2 4.32Å; I78-I158 CarbonylContact O-C 3.57Å; I78-I158 VanDerWaalsContact O-CA 3.24Å; I78-I158 WeakPolarHBondContact O-CA 3.35Å; I78-V159 PolarHBondContact O-N 2.93Å; I78-L188 CarbonylContact C-O 3.58Å; I78-L188 WeakPolarHBondContact CA-O 3.42Å; I78-L188 HydrophobicContact CG1-CB 4.32Å; I78-L188 HydrophobicContact CG2-CD2 4.35Å; I78-V190 HydrophobicContact CG2-CG2 3.81Å |
| 79 | F | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.4 | 171.9 | -70 | -101.6 | 0 | 0 | 0 | 109 | V114 L118 V159 I161 L178 Y181 N187 L188 F189 V190 | F79-V114 HydrophobicContact CE1-CG1 3.83Å; F79-V114 HydrophobicContact CZ-CG1 3.68Å; F79-L118 HydrophobicContact CE1-CD1 4.47Å; F79-V159 WeakPolarHBondContact CA-O 3.38Å; F79-V159 HydrophobicContact CD1-CB 3.7Å; F79-V159 HydrophobicContact CD1-CG1 3.73Å; F79-V159 HydrophobicContact CD1-CG2 4.38Å; F79-V159 HydrophobicContact CE1-CB 3.9Å; F79-V159 HydrophobicContact CE1-CG1 3.75Å; F79-V159 HydrophobicContact CE1-CG2 4.16Å; F79-V159 HydrophobicContact CG-CB 4.16Å; F79-V159 HydrophobicContact CZ-CB 4.5Å; F79-V159 HydrophobicContact CZ-CG2 4.32Å; F79-I161 HydrophobicContact CD1-CD1 4.14Å; F79-L178 HydrophobicContact CE1-CD2 4.28Å; F79-Y181 HydrophobicContact CE1-CD1 4.49Å; F79-Y181 HydrophobicContact CE1-CG 4.26Å; F79-Y181 HydrophobicContact CE2-CD1 4.14Å; F79-Y181 HydrophobicContact CE2-CG 4.19Å; F79-Y181 AromaticContact CZ-CD1 3.53Å; F79-Y181 HydrophobicContact CZ-CD1 3.53Å; F79-Y181 HydrophobicContact CZ-CD2 4.23Å; F79-Y181 HydrophobicContact CZ-CE1 4.15Å; F79-Y181 AromaticContact CZ-CG 3.56Å; F79-Y181 HydrophobicContact CZ-CG 3.56Å; F79-N187 HydrophobicContact CD2-CB 4.42Å; F79-N187 HydrophobicContact CE2-CB 4.23Å; F79-L188 PolarHBondContact N-O 3Å; F79-F189 HydrophobicContact CB-CD1 3.57Å; F79-F189 HydrophobicContact CB-CD2 4.43Å; F79-F189 HydrophobicContact CB-CE1 3.57Å; F79-F189 HydrophobicContact CB-CE2 4.41Å; F79-F189 HydrophobicContact CB-CG 4.02Å; F79-F189 HydrophobicContact CB-CZ 4.01Å; F79-F189 AromaticContact CD1-CE1 4Å; F79-F189 HydrophobicContact CD1-CE1 4Å; F79-F189 HydrophobicContact CD1-CZ 4.09Å; F79-F189 HydrophobicContact CD2-CD2 4.37Å; F79-F189 HydrophobicContact CD2-CE1 4.11Å; F79-F189 AromaticContact CD2-CE2 3.78Å; F79-F189 HydrophobicContact CD2-CE2 3.78Å; F79-F189 AromaticContact CD2-CZ 3.64Å; F79-F189 HydrophobicContact CD2-CZ 3.64Å; F79-F189 HydrophobicContact CE1-CZ 4.48Å; F79-F189 HydrophobicContact CE2-CE2 4.3Å; F79-F189 HydrophobicContact CE2-CZ 4.09Å; F79-F189 HydrophobicContact CG-CD1 4.14Å; F79-F189 AromaticContact CG-CE1 3.63Å; F79-F189 HydrophobicContact CG-CE1 3.63Å; F79-F189 HydrophobicContact CG-CE2 4.17Å; F79-F189 AromaticContact CG-CZ 3.64Å; F79-F189 HydrophobicContact CG-CZ 3.64Å; F79-F189 HydrophobicContact CZ-CZ 4.48Å; F79-F189 CarbonylContact O-C 3.58Å; F79-F189 WeakPolarHBondContact O-CA 3.34Å; F79-V190 PolarHBondContact O-N 3.25Å |
| 80 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 109.6 | 178.2 | -48.2 | 169.3 | 0 | 0 | 0 | 107.1 | I78 V138 Q141 L142 I145 I158 V159 P160 I161 V190 | I78-I80 HydrophobicContact CG2-CG1 4.21Å; I80-V138 HydrophobicContact CB-CG1 4.23Å; I80-V138 HydrophobicContact CG2-CB 4.34Å; I80-V138 HydrophobicContact CG2-CG1 3.93Å; I80-V138 HydrophobicContact CG2-CG2 4.4Å; I80-Q141 HydrophobicContact CG2-CB 3.89Å; I80-Q141 HydrophobicContact CG2-CG 3.9Å; I80-L142 HydrophobicContact CD1-CD2 3.66Å; I80-I145 HydrophobicContact CD1-CD1 3.38Å; I80-I145 HydrophobicContact CG1-CD1 3.71Å; I80-I158 HydrophobicContact CD1-CB 4.29Å; I80-I158 HydrophobicContact CD1-CD1 4.24Å; I80-I158 HydrophobicContact CD1-CG2 4.35Å; I80-V159 PolarHBondContact N-O 2.88Å; I80-P160 WeakPolarHBondContact O-CA 3.5Å; I80-I161 PolarHBondContact O-N 2.97Å; I80-V190 WeakPolarHBondContact CA-O 3.41Å; I80-V190 HydrophobicContact CG2-CB 4.42Å; I80-V190 HydrophobicContact CG2-CG1 4.46Å |
| 81 | I | 98.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 111.9 | -172.5 | -51.1 | -172.9 | 0 | 0 | 0 | 109 | I161 V163 L178 F189 V190 I191 S192 M260 | I81-I161 WeakPolarHBondContact CA-O 3.27Å; I81-I161 HydrophobicContact CG1-CB 4.3Å; I81-V163 HydrophobicContact CG2-CG2 3.35Å; I81-L178 HydrophobicContact CD1-CD1 4.04Å; I81-F189 HydrophobicContact CD1-CD1 3.78Å; I81-F189 HydrophobicContact CD1-CE1 3.96Å; I81-V190 PolarHBondContact N-O 3.19Å; I81-I191 HydrophobicContact CB-CD1 3.86Å; I81-I191 HydrophobicContact CD1-CD1 4.03Å; I81-I191 HydrophobicContact CG1-CD1 4.16Å; I81-S192 PolarHBondContact O-N 3.4Å; I81-M260 HydrophobicContact CD1-CE 3.69Å |
| 82 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 155.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S137 I161 V162 V163 | G82-S137 WeakPolarHBondContact CA-OG 3.43Å; G82-I161 PolarHBondContact N-O 2.84Å; G82-I161 VanDerWaalsContact N-O 3.12Å; G82-V162 CarbonylContact O-C 3.48Å; G82-V162 WeakPolarHBondContact O-CA 3.47Å; G82-V163 PolarHBondContact O-N 2.96Å |
| 83 | P | 98.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 159.1 | 177.1 | 31.7 | -38.4 | 0 | 0 | 0 | 112.3 | S137 S192 C249 | P83-S137 PolarHBondContact O-OG 3.47Å; P83-S192 WeakPolarHBondContact CD-O 3.31Å; P83-C249 WeakPolarHBondContact CB-O 3.25Å; P83-C249 HydrophobicContact CG-CB 4.49Å |
| 84 | S | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | trans | -87.1 | 125 | 160.9 | -170.8 | 0 | 0 | 0 | 0 | 111.1 | L87 E135 V163 | S84-L87 WeakPolarHBondContact CB-O 3.24Å; S84-L87 PolarHBondContact OG-N 2.57Å; S84-L87 PolarHBondContact OG-O 3.08Å; S84-E135 WeakPolarHBondContact CA-OE2 3.49Å; S84-V163 PolarHBondContact N-O 3.05Å | ||
| 85 | H | 96 | Very high | 97.3 | Very high | 73 Ų | 73 | 34 Ų | 34 | 34% | 0.338 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -103.4 | -31.4 | 176.2 | -64.1 | 100.2 | 0 | 0 | 0 | 112.9 | H53 E135 H136 | H53-H85 AromaticContact CE1-CE1 3.36Å; H53-H85 PolarHBondContact CE1-CE1 2.92Å; H53-H85 AromaticContact CE1-NE2 3.77Å; H53-H85 AromaticContact NE2-CE1 3.4Å; H53-H85 PolarHBondContact NE2-CE1 2.95Å; H53-H85 AromaticContact NE2-NE2 3.55Å; H85-E135 WeakPolarHBondContact CB-OE2 3.28Å; H85-E135 IonicContact CE1-OE1 3.63Å; H85-E135 IonicContact CG-OE1 3.37Å; H85-E135 IonicContact CG-OE2 3.57Å; H85-E135 PolarHBondContact N-OE2 3.01Å; H85-E135 IonicContact ND1-OE1 3.92Å; H85-E135 PolarHBondContact ND1-OE1 3.1Å; H85-E135 IonicContact ND1-OE2 3.82Å; H85-H136 AromaticContact CE1-CE1 3.57Å; H85-H136 AromaticContact CE1-NE2 3.78Å; H85-H136 AromaticContact CG-CE1 3.55Å; H85-H136 AromaticContact ND1-CE1 3.21Å; H85-H136 PolarHBondContact ND1-CE1 3.36Å; H85-H136 AromaticContact ND1-ND1 3.75Å; H85-H136 AromaticContact ND1-NE2 3.86Å |
| 86 | R | 92.2 | Very high | 97.3 | Very high | 175 Ų | 175 | 33.5 Ų | 33.5 | 66% | 0.66 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -96.4 | -26.9 | -172.2 | -61.6 | -55.8 | -169.4 | 150.9 | 1.4 | 113.8 | A134 | R86-A134 HydrophobicContact CB-CB 4.28Å; R86-A134 HydrophobicContact CG-CB 4.2Å; R86-A134 WeakPolarHBondContact CG-O 3.48Å |
| 87 | L | 91.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | trans | -130 | 131.6 | -172.5 | -178.9 | 63.8 | 0 | 0 | 0 | 110.1 | S84 I89 L127 Q131 | S84-L87 WeakPolarHBondContact CB-O 3.24Å; S84-L87 PolarHBondContact OG-N 2.57Å; S84-L87 PolarHBondContact OG-O 3.08Å; L87-I89 HydrophobicContact CB-CG2 4.26Å; L87-I89 HydrophobicContact CD2-CG2 3.51Å; L87-I89 HydrophobicContact CG-CG2 3.69Å; L87-I89 PolarHBondContact O-N 3.15Å; L87-L127 HydrophobicContact CD2-CD2 4.32Å; L87-Q131 HydrophobicContact CD2-CB 3.99Å; L87-Q131 HydrophobicContact CD2-CG 3.82Å | ||
| 88 | D | 94.7 | Very high | 97.1 | Very high | 122 Ų | 122 | 31.4 Ų | 31.4 | 65% | 0.652 | 16% | 0.164 | S | C | * | . | trans | -78.4 | 103.5 | 163.6 | -171.6 | 9.8 | 0 | 0 | 0 | 109 | G90 | D88-G90 VanDerWaalsContact C-N 3.3Å; D88-G90 PolarHBondContact OD1-N 2.86Å | ||
| 89 | I | 95.4 | Very high | 97 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | trans | -90.1 | 4.9 | 174.8 | 61.5 | 170 | 0 | 0 | 0 | 112.5 | L87 T92 A94 L127 V162 | L87-I89 HydrophobicContact CB-CG2 4.26Å; L87-I89 HydrophobicContact CD2-CG2 3.51Å; L87-I89 HydrophobicContact CG-CG2 3.69Å; L87-I89 PolarHBondContact O-N 3.15Å; I89-T92 WeakPolarHBondContact O-CG2 3.36Å; I89-A94 HydrophobicContact CD1-CB 3.68Å; I89-L127 HydrophobicContact CG2-CD2 3.86Å; I89-V162 HydrophobicContact CD1-CG1 4.05Å | ||
| 90 | G | 97 | Very high | 97 | Very high | 27 Ų | 27 | 35 Ų | 35 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | trans | 77.2 | -162.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D88 T92 G164 S165 | D88-G90 VanDerWaalsContact C-N 3.3Å; D88-G90 PolarHBondContact OD1-N 2.86Å; G90-T92 PolarHBondContact O-N 2.91Å; G90-G164 CarbonylContact O-C 3.51Å; G90-G164 WeakPolarHBondContact O-CA 3.47Å; G90-S165 PolarHBondContact O-N 3.27Å | ||
| 91 | D | 97.7 | Very high | 97 | Very high | 71 Ų | 71 | 35 Ų | 35 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -80.2 | 52.5 | -176 | -164.6 | 22.2 | 0 | 0 | 0 | 112.3 | L166 S167 K170 | D91-L166 WeakPolarHBondContact OD1-CA 3.37Å; D91-S167 PolarHBondContact OD1-N 2.75Å; D91-S167 PolarHBondContact OD1-OG 3.05Å; D91-S167 PolarHBondContact OD2-OG 3.12Å; D91-K170 WeakPolarHBondContact OD1-CB 3.47Å; D91-K170 WeakPolarHBondContact OD1-CG 3.28Å; D91-K170 WeakPolarHBondContact OD2-CG 3.28Å |
| 92 | T | 98.2 | Very high | 97 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -148.8 | 170.4 | -177.2 | -164.7 | 0 | 0 | 0 | 0 | 113 | I89 G90 C123 S125 G164 L166 | I89-T92 WeakPolarHBondContact O-CG2 3.36Å; G90-T92 PolarHBondContact O-N 2.91Å; T92-C123 PolarHBondContact OG1-O 2.91Å; T92-S125 WeakPolarHBondContact CG2-OG 3.23Å; T92-G164 VanDerWaalsContact O-CA 3.32Å; T92-G164 WeakPolarHBondContact O-CA 3.36Å; T92-G164 PolarHBondContact O-N 2.82Å; T92-L166 VanDerWaalsContact C-CD2 3.44Å; T92-L166 VanDerWaalsContact N-CD2 3.32Å; T92-L166 WeakPolarHBondContact O-CD2 3.48Å |
| 93 | C | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.9 | 164.4 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | F124 S125 I161 V162 F174 | C93-F124 HydrophobicContact CB-CD1 3.67Å; C93-F124 HydrophobicContact CB-CE1 3.66Å; C93-F124 CarbonylContact O-C 3.56Å; C93-F124 VanDerWaalsContact O-CA 3.29Å; C93-F124 WeakPolarHBondContact O-CA 3.16Å; C93-S125 PolarHBondContact O-N 3.22Å; C93-I161 HydrophobicContact CB-CG2 3.71Å; C93-V162 CarbonylContact C-O 3.54Å; C93-V162 VanDerWaalsContact CA-O 3.28Å; C93-V162 WeakPolarHBondContact CA-O 3.27Å; C93-F174 HydrophobicContact CB-CD1 4.16Å; C93-F174 HydrophobicContact CB-CE1 3.83Å; C93-F174 HydrophobicContact CB-CE2 4.23Å; C93-F174 HydrophobicContact CB-CZ 3.87Å; C93-F174 VanDerWaalsContact SG-CD2 3.57Å |
| 94 | A | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I89 S125 L127 V162 | I89-A94 HydrophobicContact CD1-CB 3.68Å; A94-S125 CarbonylContact C-O 3.56Å; A94-S125 VanDerWaalsContact CA-O 3.28Å; A94-S125 WeakPolarHBondContact CA-O 3.42Å; A94-L127 HydrophobicContact CB-CD1 4.32Å; A94-L127 HydrophobicContact CB-CD2 3.72Å; A94-L127 HydrophobicContact CB-CG 3.65Å; A94-V162 PolarHBondContact N-O 2.83Å; A94-V162 PolarHBondContact O-N 2.84Å |
| 95 | L | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 159.7 | 170.2 | -57.4 | 175.2 | 0 | 0 | 0 | 109.9 | Y115 L118 K119 F124 S125 V126 L127 I161 | L95-Y115 HydrophobicContact CB-CD2 4.32Å; L95-Y115 HydrophobicContact CB-CE2 3.73Å; L95-Y115 HydrophobicContact CD1-CD2 4.26Å; L95-Y115 HydrophobicContact CD1-CE2 4.12Å; L95-Y115 HydrophobicContact CG-CE2 4.5Å; L95-L118 HydrophobicContact CD1-CB 3.98Å; L95-L118 HydrophobicContact CD2-CB 4.48Å; L95-L118 HydrophobicContact CD2-CD1 4.09Å; L95-K119 HydrophobicContact CD1-CB 4.14Å; L95-F124 HydrophobicContact CD1-CB 3.99Å; L95-F124 HydrophobicContact CD1-CD1 4.47Å; L95-F124 HydrophobicContact CD1-CG 4.11Å; L95-F124 HydrophobicContact CD2-CD1 3.86Å; L95-F124 HydrophobicContact CD2-CE1 4.19Å; L95-F124 HydrophobicContact CD2-CG 4.33Å; L95-F124 HydrophobicContact CG-CB 3.87Å; L95-F124 HydrophobicContact CG-CD1 3.87Å; L95-F124 HydrophobicContact CG-CG 3.95Å; L95-S125 PolarHBondContact N-O 3.3Å; L95-V126 WeakPolarHBondContact O-CA 3.31Å; L95-L127 PolarHBondContact O-N 3.41Å; L95-I161 HydrophobicContact CD2-CG1 4.13Å |
| 96 | T | 97.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | trans | -71 | 160.9 | 173 | -173 | 0 | 0 | 0 | 0 | 113.1 | V98 Y101 I110 Y115 D132 P160 | T96-V98 HydrophobicContact CG2-CG2 4.39Å; T96-V98 WeakPolarHBondContact OG1-CG2 3.07Å; T96-V98 PolarHBondContact OG1-N 3.1Å; T96-V98 VanDerWaalsContact OG1-N 3.15Å; T96-Y101 WeakPolarHBondContact CB-OH 3.45Å; T96-Y101 HydrophobicContact CG2-CE2 4.03Å; T96-Y101 PolarHBondContact OG1-OH 2.7Å; T96-I110 HydrophobicContact CG2-CD1 4.01Å; T96-I110 HydrophobicContact CG2-CG1 3.91Å; T96-I110 HydrophobicContact CG2-CG2 4.47Å; T96-Y115 HydrophobicContact CG2-CE2 4.35Å; T96-Y115 WeakPolarHBondContact O-CE2 3.37Å; T96-Y115 PolarHBondContact O-OH 2.76Å; T96-D132 VanDerWaalsContact CB-OD2 3.23Å; T96-D132 WeakPolarHBondContact CB-OD2 3.48Å; T96-D132 PolarHBondContact OG1-OD2 3.32Å; T96-P160 HydrophobicContact CG2-CG 3.85Å | ||
| 97 | C | 96 | Very high | 97.3 | Very high | 37 Ų | 37 | 30.6 Ų | 30.6 | 25% | 0.25 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -104.7 | 1.9 | 166.9 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | L5 V126 L127 K129 | L5-C97 VanDerWaalsContact CD2-C 3.46Å; L5-C97 WeakPolarHBondContact CD2-O 3.34Å; C97-V126 HydrophobicContact CB-CG1 3.86Å; C97-L127 VanDerWaalsContact CB-O 3.29Å; C97-L127 WeakPolarHBondContact CB-O 3.32Å; C97-L127 PolarHBondContact SG-O 3.31Å; C97-K129 PolarHBondContact SG-N 3.46Å |
| 98 | V | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -102.7 | 158.2 | -175.6 | -55 | 0 | 0 | 0 | 0 | 112.5 | L5 S7 R9 T96 Y101 I110 K129 | L5-V98 WeakPolarHBondContact CD2-O 3.34Å; S7-V98 WeakPolarHBondContact O-CA 3.28Å; S7-V98 VanDerWaalsContact O-CB 3.25Å; S7-V98 WeakPolarHBondContact O-CB 3.32Å; S7-V98 WeakPolarHBondContact OG-CG1 3.23Å; R9-V98 HydrophobicContact CB-CB 4.32Å; R9-V98 HydrophobicContact CB-CG1 4.17Å; R9-V98 HydrophobicContact CB-CG2 3.6Å; T96-V98 HydrophobicContact CG2-CG2 4.39Å; T96-V98 WeakPolarHBondContact OG1-CG2 3.07Å; T96-V98 PolarHBondContact OG1-N 3.1Å; T96-V98 VanDerWaalsContact OG1-N 3.15Å; V98-Y101 HydrophobicContact CG2-CD2 3.55Å; V98-Y101 HydrophobicContact CG2-CE2 3.29Å; V98-I110 VanDerWaalsContact O-CG1 3.28Å; V98-I110 WeakPolarHBondContact O-CG1 3.3Å; V98-K129 HydrophobicContact CG1-CB 4.33Å; V98-K129 HydrophobicContact CG1-CD 4.26Å; V98-K129 HydrophobicContact CG1-CG 4.02Å | ||
| 99 | S | 97.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -90.9 | -24.5 | 179.6 | 31.5 | 0 | 0 | 0 | 0 | 114.1 | L5 S7 I110 | L5-S99 VanDerWaalsContact CB-CA 3.48Å; L5-S99 WeakPolarHBondContact O-CB 3.09Å; L5-S99 PolarHBondContact O-OG 3.45Å; S7-S99 PolarHBondContact O-N 3.44Å; S7-S99 PolarHBondContact O-OG 3.11Å; S99-I110 WeakPolarHBondContact O-CB 3.37Å; S99-I110 WeakPolarHBondContact O-CG1 3.4Å; S99-I110 PolarHBondContact O-N 3.32Å |
| 100 | E | 98.2 | Very high | 98 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 21% | 0.21 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 150.4 | -179.4 | -50.6 | -173.5 | 155.1 | 0 | 0 | 110.6 | I8 R9 N107 L108 K109 | I8-E100 CarbonylContact C-O 3.54Å; I8-E100 WeakPolarHBondContact CA-O 3.32Å; I8-E100 HydrophobicContact CG1-CB 4.27Å; I8-E100 HydrophobicContact CG2-CB 4.48Å; R9-E100 PolarHBondContact N-O 3.16Å; E100-N107 HydrophobicContact CB-CB 4.1Å; E100-N107 VanDerWaalsContact OE2-CB 3.22Å; E100-N107 WeakPolarHBondContact OE2-CB 3.47Å; E100-N107 PolarHBondContact OE2-ND2 3.5Å; E100-L108 CarbonylContact C-O 3.57Å; E100-L108 WeakPolarHBondContact CA-O 3.26Å; E100-K109 HydrophobicContact CG-CG 4.23Å; E100-K109 WeakPolarHBondContact OE1-CE 3.46Å |
| 101 | Y | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.2 | 171.8 | -81 | -138.5 | 0 | 0 | 0 | 108 | R9 T96 V98 N107 L108 I110 D132 V138 L142 I158 P160 | R9-Y101 HydrophobicContact CB-CD2 4.04Å; R9-Y101 HydrophobicContact CB-CE2 4.24Å; R9-Y101 HydrophobicContact CB-CG 4.24Å; R9-Y101 VanDerWaalsContact CD-CD1 3.5Å; R9-Y101 VanDerWaalsContact CD-CZ 3.42Å; T96-Y101 WeakPolarHBondContact CB-OH 3.45Å; T96-Y101 HydrophobicContact CG2-CE2 4.03Å; T96-Y101 PolarHBondContact OG1-OH 2.7Å; V98-Y101 HydrophobicContact CG2-CD2 3.55Å; V98-Y101 HydrophobicContact CG2-CE2 3.29Å; Y101-N107 CarbonylContact O-C 3.52Å; Y101-N107 WeakPolarHBondContact O-CA 3.36Å; Y101-L108 PolarHBondContact N-O 2.84Å; Y101-L108 PolarHBondContact O-N 3.23Å; Y101-I110 HydrophobicContact CD2-CD1 3.75Å; Y101-I110 HydrophobicContact CD2-CG1 4.48Å; Y101-I110 HydrophobicContact CE2-CD1 3.8Å; Y101-D132 PolarHBondContact OH-OD1 3.18Å; Y101-D132 PolarHBondContact OH-OD2 3.15Å; Y101-V138 HydrophobicContact CE1-CG1 3.94Å; Y101-L142 HydrophobicContact CD1-CD1 3.69Å; Y101-L142 HydrophobicContact CD1-CD2 3.88Å; Y101-L142 HydrophobicContact CD1-CG 4.39Å; Y101-L142 HydrophobicContact CG-CD1 4.38Å; Y101-I158 HydrophobicContact CD1-CD1 4.4Å; Y101-I158 HydrophobicContact CD2-CD1 4.5Å; Y101-I158 HydrophobicContact CG-CD1 4.1Å; Y101-P160 HydrophobicContact CE1-CB 4.06Å; Y101-P160 HydrophobicContact CE1-CG 4.15Å; Y101-P160 HydrophobicContact CE2-CG 3.74Å; Y101-P160 VanDerWaalsContact CZ-CG 3.5Å; Y101-P160 WeakPolarHBondContact OH-CG 3.29Å |
| 102 | E | 98.4 | Very high | 98 | Very high | 70 Ų | 70 | 27.3 Ų | 27.3 | 33% | 0.327 | 14% | 0.144 | S | C | . | . | trans | -67.1 | 143.2 | 175.3 | -176 | 177.2 | -118.2 | 0 | 0 | 110.7 | I8 R9 V10 S11 | I8-E102 HydrophobicContact CG2-CB 3.99Å; R9-E102 VanDerWaalsContact O-CB 3.29Å; R9-E102 WeakPolarHBondContact O-CB 3.37Å; R9-E102 PolarHBondContact O-N 3.27Å; V10-E102 WeakPolarHBondContact CA-OE2 3.22Å; V10-E102 WeakPolarHBondContact CB-OE2 3.28Å; S11-E102 PolarHBondContact N-OE2 3.41Å; S11-E102 PolarHBondContact OG-OE2 3.45Å | ||
| 103 | T | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | trans | -137.5 | 160.3 | 165.2 | 78.3 | 0 | 0 | 0 | 0 | 108.7 | F105 Y106 L108 L142 A146 | T103-F105 PolarHBondContact O-N 3.13Å; T103-F105 PolarHBondContact OG1-N 3.12Å; T103-Y106 PolarHBondContact O-N 3.35Å; T103-Y106 PolarHBondContact OG1-N 3.14Å; T103-Y106 VanDerWaalsContact OG1-N 3.11Å; T103-Y106 PolarHBondContact OG1-O 3.39Å; T103-L108 HydrophobicContact CG2-CD1 4.01Å; T103-L108 HydrophobicContact CG2-CG 3.94Å; T103-L142 HydrophobicContact CG2-CB 3.62Å; T103-L142 HydrophobicContact CG2-CD1 4.46Å; T103-A146 HydrophobicContact CG2-CB 4.32Å | ||
| 104 | P | 98 | Very high | 98 | Very high | 25 Ų | 25 | 33.2 Ų | 33.2 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -57.8 | -17.7 | 173.6 | -27.8 | 36.9 | 0 | 0 | 0 | 114.9 | A14 Y18 L25 | A14-P104 HydrophobicContact CB-CG 4.33Å; Y18-P104 HydrophobicContact CD2-CG 4.25Å; Y18-P104 HydrophobicContact CE2-CG 3.78Å; L25-P104 HydrophobicContact CD2-CB 4.02Å; L25-P104 HydrophobicContact CD2-CG 3.87Å |
| 105 | F | 98.3 | Very high | 98 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -91 | -52.3 | 179 | -59.9 | -64.1 | 0 | 0 | 0 | 112.4 | R22 L25 L29 T103 P143 A146 H147 | R22-F105 HydrophobicContact CG-CD1 3.64Å; R22-F105 HydrophobicContact CG-CE1 3.98Å; R22-F105 WeakPolarHBondContact O-CE1 3.16Å; L25-F105 HydrophobicContact CB-CZ 4.04Å; L25-F105 HydrophobicContact CD2-CE2 3.75Å; L25-F105 HydrophobicContact CD2-CZ 3.81Å; L25-F105 HydrophobicContact CG-CE2 4.06Å; L25-F105 HydrophobicContact CG-CZ 3.71Å; L29-F105 HydrophobicContact CD1-CE2 3.87Å; L29-F105 HydrophobicContact CD1-CZ 3.94Å; T103-F105 PolarHBondContact O-N 3.13Å; T103-F105 PolarHBondContact OG1-N 3.12Å; F105-P143 HydrophobicContact CE2-CB 4.17Å; F105-P143 WeakPolarHBondContact CE2-O 3.1Å; F105-A146 HydrophobicContact CB-CB 4.24Å; F105-A146 HydrophobicContact CD2-CB 3.94Å; F105-H147 HydrophobicContact CE2-CB 4.02Å; F105-H147 HydrophobicContact CZ-CB 4.37Å |
| 106 | Y | 98.1 | Very high | 98 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.075 | 19% | 0.192 | C | C | . | . | trans | -176.2 | 162.4 | -179.9 | 55.3 | -95.9 | 0 | 0 | 0 | 111.7 | T103 L108 A146 K150 K153 Y156 | T103-Y106 PolarHBondContact O-N 3.35Å; T103-Y106 PolarHBondContact OG1-N 3.14Å; T103-Y106 VanDerWaalsContact OG1-N 3.11Å; T103-Y106 PolarHBondContact OG1-O 3.39Å; Y106-L108 HydrophobicContact CD2-CD2 3.91Å; Y106-L108 HydrophobicContact CE2-CD2 3.41Å; Y106-L108 VanDerWaalsContact CE2-CD2 3.41Å; Y106-A146 HydrophobicContact CE1-CB 4.13Å; Y106-A146 WeakPolarHBondContact CE1-O 3.11Å; Y106-A146 HydrophobicContact CE2-CB 4.28Å; Y106-A146 PolarHBondContact OH-O 2.73Å; Y106-K150 HydrophobicContact CE1-CB 4.35Å; Y106-K153 HydrophobicContact CD1-CD 3.7Å; Y106-K153 HydrophobicContact CD1-CG 4.32Å; Y106-K153 HydrophobicContact CD2-CD 3.68Å; Y106-K153 HydrophobicContact CD2-CG 3.67Å; Y106-K153 HydrophobicContact CE1-CB 4.3Å; Y106-K153 HydrophobicContact CE1-CD 3.98Å; Y106-K153 HydrophobicContact CE1-CG 4.2Å; Y106-K153 HydrophobicContact CE2-CB 4.05Å; Y106-K153 HydrophobicContact CE2-CD 3.96Å; Y106-K153 HydrophobicContact CE2-CG 3.54Å; Y106-K153 HydrophobicContact CG-CD 3.53Å; Y106-K153 HydrophobicContact CG-CG 4.07Å; Y106-Y156 WeakPolarHBondContact CE2-OH 3.29Å; Y106-Y156 PolarHBondContact OH-OH 2.83Å | ||
| 107 | N | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 135.6 | 177.5 | -62.9 | 3.3 | 0 | 0 | 0 | 112.9 | E100 Y101 | E100-N107 HydrophobicContact CB-CB 4.1Å; E100-N107 VanDerWaalsContact OE2-CB 3.22Å; E100-N107 WeakPolarHBondContact OE2-CB 3.47Å; E100-N107 PolarHBondContact OE2-ND2 3.5Å; Y101-N107 CarbonylContact O-C 3.52Å; Y101-N107 WeakPolarHBondContact O-CA 3.36Å |
| 108 | L | 98.5 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.6 | 175 | -57.7 | -173.5 | 0 | 0 | 0 | 110.2 | E100 Y101 T103 Y106 L142 I145 A146 Y156 I158 | E100-L108 CarbonylContact C-O 3.57Å; E100-L108 WeakPolarHBondContact CA-O 3.26Å; Y101-L108 PolarHBondContact N-O 2.84Å; Y101-L108 PolarHBondContact O-N 3.23Å; T103-L108 HydrophobicContact CG2-CD1 4.01Å; T103-L108 HydrophobicContact CG2-CG 3.94Å; Y106-L108 HydrophobicContact CD2-CD2 3.91Å; Y106-L108 HydrophobicContact CE2-CD2 3.41Å; Y106-L108 VanDerWaalsContact CE2-CD2 3.41Å; L108-L142 HydrophobicContact CD1-CB 3.95Å; L108-L142 HydrophobicContact CD1-CD2 3.94Å; L108-I145 HydrophobicContact CD1-CG2 4.18Å; L108-A146 HydrophobicContact CD2-CB 4.06Å; L108-Y156 HydrophobicContact CD2-CE2 4.2Å; L108-Y156 WeakPolarHBondContact CD2-OH 3.44Å; L108-I158 HydrophobicContact CB-CD1 3.72Å; L108-I158 HydrophobicContact CB-CG1 4.13Å; L108-I158 HydrophobicContact CB-CG2 4.33Å; L108-I158 HydrophobicContact CD1-CD1 4.17Å; L108-I158 HydrophobicContact CD1-CG2 4.21Å |
| 109 | K | 98.2 | Very high | 98.1 | Very high | 130 Ų | 130 | 39.9 Ų | 39.9 | 57% | 0.565 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 136.8 | -178.8 | -66.7 | -175.2 | 174.8 | -173.2 | 0 | 111.9 | E100 S157 I158 | E100-K109 HydrophobicContact CG-CG 4.23Å; E100-K109 WeakPolarHBondContact OE1-CE 3.46Å; K109-S157 CarbonylContact O-C 3.57Å; K109-S157 VanDerWaalsContact O-CA 3.31Å; K109-S157 WeakPolarHBondContact O-CA 3.38Å; K109-S157 VanDerWaalsContact O-CB 3.3Å; K109-S157 WeakPolarHBondContact O-CB 3.4Å; K109-I158 PolarHBondContact O-N 3.33Å |
| 110 | I | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -69.1 | 135.7 | 168 | -60.3 | -45.8 | 0 | 0 | 0 | 109.7 | L5 T96 V98 S99 Y101 T112 Y115 I158 P160 | L5-I110 HydrophobicContact CD1-CB 4.15Å; L5-I110 HydrophobicContact CD1-CG2 3.9Å; T96-I110 HydrophobicContact CG2-CD1 4.01Å; T96-I110 HydrophobicContact CG2-CG1 3.91Å; T96-I110 HydrophobicContact CG2-CG2 4.47Å; V98-I110 VanDerWaalsContact O-CG1 3.28Å; V98-I110 WeakPolarHBondContact O-CG1 3.3Å; S99-I110 WeakPolarHBondContact O-CB 3.37Å; S99-I110 WeakPolarHBondContact O-CG1 3.4Å; S99-I110 PolarHBondContact O-N 3.32Å; Y101-I110 HydrophobicContact CD2-CD1 3.75Å; Y101-I110 HydrophobicContact CD2-CG1 4.48Å; Y101-I110 HydrophobicContact CE2-CD1 3.8Å; I110-T112 PolarHBondContact O-N 3.07Å; I110-Y115 HydrophobicContact CG2-CD2 4.16Å; I110-Y115 HydrophobicContact CG2-CG 4.39Å; I110-I158 CarbonylContact C-O 3.59Å; I110-I158 WeakPolarHBondContact CA-O 3.48Å; I110-I158 HydrophobicContact CD1-CD1 4.07Å; I110-I158 HydrophobicContact CD1-CG1 3.77Å; I110-P160 VanDerWaalsContact CD1-CD 3.46Å; I110-P160 HydrophobicContact CD1-CG 3.68Å |
| 111 | N | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | trans | -70.6 | 95.8 | 172.6 | -169 | -44.9 | 0 | 0 | 0 | 109.8 | C77 N113 V114 Y115 S157 I158 V159 | C77-N111 PolarHBondContact SG-ND2 2.75Å; C77-N111 VanDerWaalsContact SG-ND2 3.41Å; N111-N113 VanDerWaalsContact C-N 3.28Å; N111-N113 PolarHBondContact O-N 3.21Å; N111-N113 PolarHBondContact OD1-N 3.23Å; N111-V114 HydrophobicContact CB-CB 4.14Å; N111-V114 HydrophobicContact CB-CG2 4.33Å; N111-V114 PolarHBondContact O-N 3.14Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.19Å; N111-V114 PolarHBondContact OD1-N 2.63Å; N111-Y115 WeakPolarHBondContact O-CB 3.33Å; N111-Y115 PolarHBondContact O-N 2.97Å; N111-S157 WeakPolarHBondContact CB-OG 3.46Å; N111-S157 PolarHBondContact ND2-OG 2.84Å; N111-I158 PolarHBondContact N-O 2.89Å; N111-V159 HydrophobicContact CB-CG2 3.68Å | ||
| 112 | T | 97.4 | Very high | 98 | Very high | 73 Ų | 73 | 51.5 Ų | 51.5 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | -175.6 | -43.8 | 0 | 0 | 0 | 0 | 112.8 | I110 N116 | I110-T112 PolarHBondContact O-N 3.07Å; T112-N116 VanDerWaalsContact O-CB 3.32Å; T112-N116 WeakPolarHBondContact O-CB 3.3Å; T112-N116 VanDerWaalsContact O-CG 3.22Å; T112-N116 PolarHBondContact O-N 2.84Å; T112-N116 PolarHBondContact O-ND2 3.07Å |
| 113 | N | 97.8 | Very high | 98 | Very high | 127 Ų | 127 | 49.3 Ų | 49.3 | 68% | 0.679 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.7 | -53.1 | 179.8 | -69.9 | -19.5 | 0 | 0 | 0 | 110.7 | N111 Y115 N116 S117 | N111-N113 VanDerWaalsContact C-N 3.28Å; N111-N113 PolarHBondContact O-N 3.21Å; N111-N113 PolarHBondContact OD1-N 3.23Å; N113-Y115 VanDerWaalsContact C-N 3.32Å; N113-Y115 PolarHBondContact O-N 2.97Å; N113-N116 PolarHBondContact O-N 3.39Å; N113-S117 PolarHBondContact O-N 3.42Å; N113-S117 PolarHBondContact O-OG 2.88Å; N113-S117 VanDerWaalsContact O-OG 3.12Å |
| 114 | V | 98.4 | Very high | 98 | Very high | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 177.1 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | F79 N111 N116 S117 L118 V159 Y181 | F79-V114 HydrophobicContact CE1-CG1 3.83Å; F79-V114 HydrophobicContact CZ-CG1 3.68Å; N111-V114 HydrophobicContact CB-CB 4.14Å; N111-V114 HydrophobicContact CB-CG2 4.33Å; N111-V114 PolarHBondContact O-N 3.14Å; N111-V114 WeakPolarHBondContact OD1-CG2 3.19Å; N111-V114 PolarHBondContact OD1-N 2.63Å; V114-N116 PolarHBondContact O-N 3.41Å; V114-S117 WeakPolarHBondContact O-CB 3.46Å; V114-S117 PolarHBondContact O-N 3.33Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.13Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 2.84Å; V114-V159 HydrophobicContact CB-CG2 3.97Å; V114-V159 HydrophobicContact CG1-CG1 4.19Å; V114-V159 HydrophobicContact CG1-CG2 3.76Å; V114-Y181 HydrophobicContact CG1-CE1 3.94Å; V114-Y181 HydrophobicContact CG2-CE1 4.06Å |
| 115 | Y | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.2 | -51 | 176.9 | 178.3 | -88.8 | 0 | 0 | 0 | 111.9 | L5 L95 T96 I110 N111 N113 S117 L118 K119 | L5-Y115 HydrophobicContact CD1-CD1 4.2Å; L5-Y115 HydrophobicContact CD1-CE1 4.38Å; L5-Y115 HydrophobicContact CD1-CG 4.27Å; L5-Y115 HydrophobicContact CD2-CE1 4.06Å; L5-Y115 HydrophobicContact CD2-CE2 4.19Å; L5-Y115 HydrophobicContact CG-CE1 4.42Å; L95-Y115 HydrophobicContact CB-CD2 4.32Å; L95-Y115 HydrophobicContact CB-CE2 3.73Å; L95-Y115 HydrophobicContact CD1-CD2 4.26Å; L95-Y115 HydrophobicContact CD1-CE2 4.12Å; L95-Y115 HydrophobicContact CG-CE2 4.5Å; T96-Y115 HydrophobicContact CG2-CE2 4.35Å; T96-Y115 WeakPolarHBondContact O-CE2 3.37Å; T96-Y115 PolarHBondContact O-OH 2.76Å; I110-Y115 HydrophobicContact CG2-CD2 4.16Å; I110-Y115 HydrophobicContact CG2-CG 4.39Å; N111-Y115 WeakPolarHBondContact O-CB 3.33Å; N111-Y115 PolarHBondContact O-N 2.97Å; N113-Y115 VanDerWaalsContact C-N 3.32Å; N113-Y115 PolarHBondContact O-N 2.97Å; Y115-S117 VanDerWaalsContact C-N 3.33Å; Y115-S117 PolarHBondContact O-N 3.49Å; Y115-L118 PolarHBondContact O-N 2.73Å; Y115-K119 HydrophobicContact CD1-CD 4.38Å; Y115-K119 HydrophobicContact CE1-CB 4.42Å; Y115-K119 HydrophobicContact CE1-CD 3.5Å; Y115-K119 VanDerWaalsContact O-CB 3.24Å; Y115-K119 WeakPolarHBondContact O-CB 3.49Å; Y115-K119 PolarHBondContact O-N 2.82Å; Y115-K119 PolarHBondContact OH-NZ 3.44Å |
| 116 | N | 97.8 | Very high | 97.8 | Very high | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64 | -40 | 179.5 | -74.8 | -22.7 | 0 | 0 | 0 | 111.4 | T112 N113 V114 K119 S120 | T112-N116 VanDerWaalsContact O-CB 3.32Å; T112-N116 WeakPolarHBondContact O-CB 3.3Å; T112-N116 VanDerWaalsContact O-CG 3.22Å; T112-N116 PolarHBondContact O-N 2.84Å; T112-N116 PolarHBondContact O-ND2 3.07Å; N113-N116 PolarHBondContact O-N 3.39Å; V114-N116 PolarHBondContact O-N 3.41Å; N116-K119 PolarHBondContact O-N 2.97Å; N116-S120 VanDerWaalsContact O-CB 3.28Å; N116-S120 WeakPolarHBondContact O-CB 3.47Å; N116-S120 PolarHBondContact O-N 2.83Å; N116-S120 PolarHBondContact O-OG 2.84Å |
| 117 | S | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -51 | 173.8 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | N113 V114 Y115 S120 L121 | N113-S117 PolarHBondContact O-N 3.42Å; N113-S117 PolarHBondContact O-OG 2.88Å; N113-S117 VanDerWaalsContact O-OG 3.12Å; V114-S117 WeakPolarHBondContact O-CB 3.46Å; V114-S117 PolarHBondContact O-N 3.33Å; Y115-S117 VanDerWaalsContact C-N 3.33Å; Y115-S117 PolarHBondContact O-N 3.49Å; S117-S120 PolarHBondContact O-N 3.08Å; S117-S120 PolarHBondContact O-OG 3.49Å; S117-L121 WeakPolarHBondContact O-CG 3.28Å |
| 118 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.9 | -65.6 | 179.1 | 0 | 0 | 0 | 112.2 | F79 L95 V114 Y115 S120 L121 F124 V159 I161 L177 L178 Y181 | F79-L118 HydrophobicContact CE1-CD1 4.47Å; L95-L118 HydrophobicContact CD1-CB 3.98Å; L95-L118 HydrophobicContact CD2-CB 4.48Å; L95-L118 HydrophobicContact CD2-CD1 4.09Å; V114-L118 HydrophobicContact CG1-CD1 3.94Å; V114-L118 HydrophobicContact CG1-CG 4.13Å; V114-L118 WeakPolarHBondContact O-CG 3.42Å; V114-L118 PolarHBondContact O-N 2.84Å; Y115-L118 PolarHBondContact O-N 2.73Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.16Å; L118-L121 WeakPolarHBondContact O-CB 3.33Å; L118-L121 PolarHBondContact O-N 2.94Å; L118-F124 HydrophobicContact CB-CD2 4.24Å; L118-F124 HydrophobicContact CB-CE2 3.97Å; L118-F124 HydrophobicContact CB-CZ 4.41Å; L118-F124 HydrophobicContact CD1-CZ 4.49Å; L118-F124 HydrophobicContact CD2-CE2 4.02Å; L118-F124 HydrophobicContact CD2-CZ 4.08Å; L118-F124 HydrophobicContact CG-CE2 4.48Å; L118-F124 WeakPolarHBondContact O-CD2 3.26Å; L118-V159 HydrophobicContact CD1-CG1 3.9Å; L118-I161 HydrophobicContact CD1-CD1 4.21Å; L118-L177 HydrophobicContact CD2-CD2 3.59Å; L118-L178 HydrophobicContact CD2-CD2 4.02Å; L118-Y181 HydrophobicContact CD2-CE2 3.99Å |
| 119 | K | 97 | Very high | 97.4 | Very high | 54 Ų | 54 | 59.3 Ų | 59.3 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 179.3 | -173.5 | 169.7 | -169.7 | 161.7 | 0 | 112.1 | T3 L95 Y115 N116 L121 N122 | T3-K119 PolarHBondContact OG1-NZ 3.28Å; L95-K119 HydrophobicContact CD1-CB 4.14Å; Y115-K119 HydrophobicContact CD1-CD 4.38Å; Y115-K119 HydrophobicContact CE1-CB 4.42Å; Y115-K119 HydrophobicContact CE1-CD 3.5Å; Y115-K119 VanDerWaalsContact O-CB 3.24Å; Y115-K119 WeakPolarHBondContact O-CB 3.49Å; Y115-K119 PolarHBondContact O-N 2.82Å; Y115-K119 PolarHBondContact OH-NZ 3.44Å; N116-K119 PolarHBondContact O-N 2.97Å; K119-L121 PolarHBondContact O-N 3.32Å; K119-L121 VanDerWaalsContact O-N 3.15Å; K119-N122 PolarHBondContact O-N 3.02Å |
| 120 | S | 97.6 | Very high | 97.3 | Very high | 80 Ų | 80 | 56.7 Ų | 56.7 | 56% | 0.559 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -18.3 | -179.5 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | N116 S117 L118 N122 | N116-S120 VanDerWaalsContact O-CB 3.28Å; N116-S120 WeakPolarHBondContact O-CB 3.47Å; N116-S120 PolarHBondContact O-N 2.83Å; N116-S120 PolarHBondContact O-OG 2.84Å; S117-S120 PolarHBondContact O-N 3.08Å; S117-S120 PolarHBondContact O-OG 3.49Å; L118-S120 VanDerWaalsContact C-N 3.32Å; L118-S120 PolarHBondContact O-N 3.16Å; S120-N122 PolarHBondContact O-N 3.31Å; S120-N122 PolarHBondContact O-ND2 3.15Å |
| 121 | L | 97.5 | Very high | 97.1 | Very high | 91 Ų | 91 | 59.3 Ų | 59.3 | 48% | 0.476 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.4 | 175.2 | -58.4 | 173.6 | 0 | 0 | 0 | 113.2 | S117 L118 K119 C123 L177 | S117-L121 WeakPolarHBondContact O-CG 3.28Å; L118-L121 WeakPolarHBondContact O-CB 3.33Å; L118-L121 PolarHBondContact O-N 2.94Å; K119-L121 PolarHBondContact O-N 3.32Å; K119-L121 VanDerWaalsContact O-N 3.15Å; L121-C123 PolarHBondContact O-N 2.87Å; L121-L177 HydrophobicContact CD1-CD1 3.63Å; L121-L177 HydrophobicContact CD1-CD2 3.93Å; L121-L177 HydrophobicContact CD1-CG 3.84Å |
| 122 | N | 96.9 | Very high | 97 | Very high | 150 Ų | 150 | 58.1 Ų | 58.1 | 80% | 0.802 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 53 | 26.2 | 178 | -58.2 | -56.1 | 0 | 0 | 0 | 114.7 | K119 S120 | K119-N122 PolarHBondContact O-N 3.02Å; S120-N122 PolarHBondContact O-N 3.31Å; S120-N122 PolarHBondContact O-ND2 3.15Å |
| 123 | C | 97.5 | Very high | 97 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | trans | -114 | -4.3 | 178.2 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | T92 L121 F173 F174 | T92-C123 PolarHBondContact OG1-O 2.91Å; L121-C123 PolarHBondContact O-N 2.87Å; C123-F173 HydrophobicContact CB-CE1 3.83Å; C123-F173 HydrophobicContact CB-CZ 3.92Å; C123-F174 WeakPolarHBondContact O-CZ 3.43Å | ||
| 124 | F | 98.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 141.5 | 174.5 | -69.4 | -96.3 | 0 | 0 | 0 | 110.6 | C93 L95 L118 I161 F174 L177 | C93-F124 HydrophobicContact CB-CD1 3.67Å; C93-F124 HydrophobicContact CB-CE1 3.66Å; C93-F124 CarbonylContact O-C 3.56Å; C93-F124 VanDerWaalsContact O-CA 3.29Å; C93-F124 WeakPolarHBondContact O-CA 3.16Å; L95-F124 HydrophobicContact CD1-CB 3.99Å; L95-F124 HydrophobicContact CD1-CD1 4.47Å; L95-F124 HydrophobicContact CD1-CG 4.11Å; L95-F124 HydrophobicContact CD2-CD1 3.86Å; L95-F124 HydrophobicContact CD2-CE1 4.19Å; L95-F124 HydrophobicContact CD2-CG 4.33Å; L95-F124 HydrophobicContact CG-CB 3.87Å; L95-F124 HydrophobicContact CG-CD1 3.87Å; L95-F124 HydrophobicContact CG-CG 3.95Å; L118-F124 HydrophobicContact CB-CD2 4.24Å; L118-F124 HydrophobicContact CB-CE2 3.97Å; L118-F124 HydrophobicContact CB-CZ 4.41Å; L118-F124 HydrophobicContact CD1-CZ 4.49Å; L118-F124 HydrophobicContact CD2-CE2 4.02Å; L118-F124 HydrophobicContact CD2-CZ 4.08Å; L118-F124 HydrophobicContact CG-CE2 4.48Å; L118-F124 WeakPolarHBondContact O-CD2 3.26Å; F124-I161 HydrophobicContact CE1-CD1 4.44Å; F124-I161 HydrophobicContact CE1-CG2 4.22Å; F124-F174 HydrophobicContact CD1-CE1 4Å; F124-F174 HydrophobicContact CD2-CE1 4.28Å; F124-F174 AromaticContact CE1-CD1 3.94Å; F124-F174 HydrophobicContact CE1-CD1 3.94Å; F124-F174 AromaticContact CE1-CE1 3.68Å; F124-F174 HydrophobicContact CE1-CE1 3.68Å; F124-F174 HydrophobicContact CE2-CD1 4.34Å; F124-F174 AromaticContact CE2-CE1 3.97Å; F124-F174 HydrophobicContact CE2-CE1 3.97Å; F124-F174 HydrophobicContact CG-CE1 4.29Å; F124-F174 AromaticContact CZ-CD1 3.74Å; F124-F174 HydrophobicContact CZ-CD1 3.74Å; F124-F174 AromaticContact CZ-CE1 3.66Å; F124-F174 HydrophobicContact CZ-CE1 3.66Å; F124-L177 HydrophobicContact CE2-CD1 4.02Å; F124-L177 HydrophobicContact CE2-CD2 4.1Å; F124-L177 HydrophobicContact CZ-CD1 4.47Å; F124-L177 HydrophobicContact CZ-CD2 4.1Å |
| 125 | S | 97.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 166.2 | 162.3 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | T92 C93 A94 L95 | T92-S125 WeakPolarHBondContact CG2-OG 3.23Å; C93-S125 PolarHBondContact O-N 3.22Å; A94-S125 CarbonylContact C-O 3.56Å; A94-S125 VanDerWaalsContact CA-O 3.28Å; A94-S125 WeakPolarHBondContact CA-O 3.42Å; L95-S125 PolarHBondContact N-O 3.3Å |
| 126 | V | 96.7 | Very high | 96.7 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 123.1 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | L95 C97 | L95-V126 WeakPolarHBondContact O-CA 3.31Å; C97-V126 HydrophobicContact CB-CG1 3.86Å |
| 127 | L | 96 | Very high | 96.8 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | trans | -71.8 | 140.7 | 175.9 | -64 | 178.7 | 0 | 0 | 0 | 110.1 | L87 I89 A94 L95 C97 Q131 D132 V162 | L87-L127 HydrophobicContact CD2-CD2 4.32Å; I89-L127 HydrophobicContact CG2-CD2 3.86Å; A94-L127 HydrophobicContact CB-CD1 4.32Å; A94-L127 HydrophobicContact CB-CD2 3.72Å; A94-L127 HydrophobicContact CB-CG 3.65Å; L95-L127 PolarHBondContact O-N 3.41Å; C97-L127 VanDerWaalsContact CB-O 3.29Å; C97-L127 WeakPolarHBondContact CB-O 3.32Å; C97-L127 PolarHBondContact SG-O 3.31Å; L127-Q131 HydrophobicContact CB-CB 4.33Å; L127-Q131 HydrophobicContact CD2-CB 4.25Å; L127-D132 HydrophobicContact CB-CB 4.17Å; L127-D132 HydrophobicContact CD1-CB 4.12Å; L127-V162 HydrophobicContact CD1-CB 4.08Å; L127-V162 HydrophobicContact CD1-CG2 3.76Å | ||
| 128 | E | 95.2 | Very high | 96.8 | Very high | 123 Ų | 123 | 46.6 Ų | 46.6 | 58% | 0.575 | 26% | 0.259 | S | S | * | . | trans | -66.6 | 153.1 | 159.2 | -63.1 | -175.4 | 170.9 | 0 | 0 | 109.9 | S130 Q131 D132 | E128-S130 VanDerWaalsContact C-N 3.27Å; E128-S130 PolarHBondContact O-N 3.35Å; E128-Q131 HydrophobicContact CB-CG 4.05Å; E128-Q131 WeakPolarHBondContact O-CB 3.45Å; E128-Q131 PolarHBondContact O-N 3.41Å; E128-D132 PolarHBondContact O-N 2.92Å | ||
| 129 | K | 95.4 | Very high | 96.8 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55 | -43.2 | -176.9 | 178.7 | 176.7 | 169.3 | 175.4 | 0 | 112.3 | I8 C97 V98 Q131 D132 E133 | I8-K129 WeakPolarHBondContact O-CE 3.3Å; I8-K129 PolarHBondContact O-NZ 3.41Å; C97-K129 PolarHBondContact SG-N 3.46Å; V98-K129 HydrophobicContact CG1-CB 4.33Å; V98-K129 HydrophobicContact CG1-CD 4.26Å; V98-K129 HydrophobicContact CG1-CG 4.02Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 3.23Å; K129-D132 WeakPolarHBondContact O-CB 3.39Å; K129-D132 PolarHBondContact O-N 2.75Å; K129-E133 VanDerWaalsContact CE-CD 3.48Å; K129-E133 WeakPolarHBondContact CE-OE1 3.34Å; K129-E133 HydrophobicContact CG-CG 4.38Å; K129-E133 IonicContact NZ-OE1 3.91Å; K129-E133 WeakPolarHBondContact O-CB 3.23Å; K129-E133 VanDerWaalsContact O-CG 3.32Å; K129-E133 WeakPolarHBondContact O-CG 3.27Å; K129-E133 PolarHBondContact O-N 3.46Å |
| 130 | S | 95.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.1 | -33.4 | 177.9 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | E128 A134 | E128-S130 VanDerWaalsContact C-N 3.27Å; E128-S130 PolarHBondContact O-N 3.35Å; S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 2.86Å; S130-A134 VanDerWaalsContact O-N 3.1Å |
| 131 | Q | 95.4 | Very high | 96.9 | Very high | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.29 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.3 | -41.8 | 176.8 | -61.3 | 170.7 | -19.3 | 0 | 0 | 110.7 | L87 L127 E128 K129 A134 E135 | L87-Q131 HydrophobicContact CD2-CB 3.99Å; L87-Q131 HydrophobicContact CD2-CG 3.82Å; L127-Q131 HydrophobicContact CB-CB 4.33Å; L127-Q131 HydrophobicContact CD2-CB 4.25Å; E128-Q131 HydrophobicContact CB-CG 4.05Å; E128-Q131 WeakPolarHBondContact O-CB 3.45Å; E128-Q131 PolarHBondContact O-N 3.41Å; K129-Q131 VanDerWaalsContact C-N 3.3Å; K129-Q131 PolarHBondContact O-N 3.23Å; Q131-A134 PolarHBondContact O-N 3.07Å; Q131-E135 PolarHBondContact O-N 3.15Å |
| 132 | D | 96.1 | Very high | 97 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.4 | -164.9 | -12.7 | 0 | 0 | 0 | 111.7 | R9 T96 Y101 L127 E128 K129 A134 E135 | R9-D132 WeakPolarHBondContact CD-OD1 3.36Å; R9-D132 PolarHBondContact NE-O 2.89Å; R9-D132 VanDerWaalsContact NE-O 3.08Å; R9-D132 IonicContact NE-OD1 3.63Å; R9-D132 PolarHBondContact NE-OD1 2.94Å; R9-D132 PolarHBondContact NH2-O 3.35Å; T96-D132 VanDerWaalsContact CB-OD2 3.23Å; T96-D132 WeakPolarHBondContact CB-OD2 3.48Å; T96-D132 PolarHBondContact OG1-OD2 3.32Å; Y101-D132 PolarHBondContact OH-OD1 3.18Å; Y101-D132 PolarHBondContact OH-OD2 3.15Å; L127-D132 HydrophobicContact CB-CB 4.17Å; L127-D132 HydrophobicContact CD1-CB 4.12Å; E128-D132 PolarHBondContact O-N 2.92Å; K129-D132 WeakPolarHBondContact O-CB 3.39Å; K129-D132 PolarHBondContact O-N 2.75Å; D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 3.31Å; D132-E135 PolarHBondContact O-N 3.38Å |
| 133 | E | 96.5 | Very high | 97.1 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.6 | -24.8 | 177.3 | -72.2 | 176.3 | 162.2 | 0 | 0 | 113.7 | R9 V10 S12 K129 | R9-E133 HydrophobicContact CG-CG 3.54Å; V10-E133 WeakPolarHBondContact CG2-OE1 3.46Å; V10-E133 PolarHBondContact N-OE1 3.31Å; S12-E133 PolarHBondContact OG-O 2.91Å; K129-E133 VanDerWaalsContact CE-CD 3.48Å; K129-E133 WeakPolarHBondContact CE-OE1 3.34Å; K129-E133 HydrophobicContact CG-CG 4.38Å; K129-E133 IonicContact NZ-OE1 3.91Å; K129-E133 WeakPolarHBondContact O-CB 3.23Å; K129-E133 VanDerWaalsContact O-CG 3.32Å; K129-E133 WeakPolarHBondContact O-CG 3.27Å; K129-E133 PolarHBondContact O-N 3.46Å |
| 134 | A | 95.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 34% | 0.339 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -76.3 | -27.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R86 S130 Q131 D132 | R86-A134 HydrophobicContact CB-CB 4.28Å; R86-A134 HydrophobicContact CG-CB 4.2Å; R86-A134 WeakPolarHBondContact CG-O 3.48Å; S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 2.86Å; S130-A134 VanDerWaalsContact O-N 3.1Å; Q131-A134 PolarHBondContact O-N 3.07Å; D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 3.31Å |
| 135 | E | 96.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | trans | -81.9 | 133.1 | 176.5 | -176.6 | 47.5 | -122.5 | 0 | 0 | 111.5 | R9 S84 H85 Q131 D132 S137 V162 | R9-E135 PolarHBondContact NH2-O 3.38Å; S84-E135 WeakPolarHBondContact CA-OE2 3.49Å; H85-E135 WeakPolarHBondContact CB-OE2 3.28Å; H85-E135 IonicContact CE1-OE1 3.63Å; H85-E135 IonicContact CG-OE1 3.37Å; H85-E135 IonicContact CG-OE2 3.57Å; H85-E135 PolarHBondContact N-OE2 3.01Å; H85-E135 IonicContact ND1-OE1 3.92Å; H85-E135 PolarHBondContact ND1-OE1 3.1Å; H85-E135 IonicContact ND1-OE2 3.82Å; Q131-E135 PolarHBondContact O-N 3.15Å; D132-E135 PolarHBondContact O-N 3.38Å; E135-S137 VanDerWaalsContact OE1-CB 3.27Å; E135-S137 WeakPolarHBondContact OE1-CB 3.5Å; E135-S137 PolarHBondContact OE1-N 3.49Å; E135-S137 PolarHBondContact OE1-OG 3.31Å; E135-V162 HydrophobicContact CG-CG1 4.4Å; E135-V162 HydrophobicContact CG-CG2 4.39Å | ||
| 136 | H | 97.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | trans | -107.4 | -24.1 | -173.3 | 65.2 | -77.2 | 0 | 0 | 0 | 113.1 | H13 W17 H53 H85 V138 E139 M140 | H13-H136 WeakPolarHBondContact NE2-CB 3.22Å; W17-H136 AromaticContact CH2-CD2 3.69Å; W17-H136 AromaticContact CH2-NE2 3.77Å; W17-H136 AromaticContact CZ3-CD2 3.5Å; W17-H136 AromaticContact CZ3-NE2 3.91Å; H53-H136 AromaticContact CD2-NE2 3.94Å; H85-H136 AromaticContact CE1-CE1 3.57Å; H85-H136 AromaticContact CE1-NE2 3.78Å; H85-H136 AromaticContact CG-CE1 3.55Å; H85-H136 AromaticContact ND1-CE1 3.21Å; H85-H136 PolarHBondContact ND1-CE1 3.36Å; H85-H136 AromaticContact ND1-ND1 3.75Å; H85-H136 AromaticContact ND1-NE2 3.86Å; H136-V138 VanDerWaalsContact C-N 3.25Å; H136-V138 PolarHBondContact O-N 2.98Å; H136-V138 VanDerWaalsContact O-N 3.15Å; H136-E139 PolarHBondContact O-N 3.44Å; H136-M140 HydrophobicContact CB-CG 4.42Å; H136-M140 VanDerWaalsContact O-CG 3.23Å; H136-M140 WeakPolarHBondContact O-CG 3.5Å; H136-M140 PolarHBondContact O-N 3.19Å | ||
| 137 | S | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -38.1 | -171 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | H53 G82 P83 E135 S192 | H53-S137 WeakPolarHBondContact ND1-CB 3.43Å; G82-S137 WeakPolarHBondContact CA-OG 3.43Å; P83-S137 PolarHBondContact O-OG 3.47Å; E135-S137 VanDerWaalsContact OE1-CB 3.27Å; E135-S137 WeakPolarHBondContact OE1-CB 3.5Å; E135-S137 PolarHBondContact OE1-N 3.49Å; E135-S137 PolarHBondContact OE1-OG 3.31Å; S137-S192 WeakPolarHBondContact O-CB 3.44Å; S137-S192 PolarHBondContact O-OG 3.4Å |
| 138 | V | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -44 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | I80 Y101 H136 M140 Q141 P160 V162 | I80-V138 HydrophobicContact CB-CG1 4.23Å; I80-V138 HydrophobicContact CG2-CB 4.34Å; I80-V138 HydrophobicContact CG2-CG1 3.93Å; I80-V138 HydrophobicContact CG2-CG2 4.4Å; Y101-V138 HydrophobicContact CE1-CG1 3.94Å; H136-V138 VanDerWaalsContact C-N 3.25Å; H136-V138 PolarHBondContact O-N 2.98Å; H136-V138 VanDerWaalsContact O-N 3.15Å; V138-M140 VanDerWaalsContact C-N 3.29Å; V138-M140 PolarHBondContact O-N 3.19Å; V138-Q141 WeakPolarHBondContact O-CB 3.36Å; V138-Q141 PolarHBondContact O-N 3.27Å; V138-Q141 VanDerWaalsContact O-N 3.16Å; V138-P160 HydrophobicContact CG1-CB 3.65Å; V138-V162 HydrophobicContact CG2-CG2 4.09Å |
| 139 | E | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -58.6 | -41 | -177.5 | -175.9 | 176.1 | 155.2 | 0 | 0 | 112.8 | R9 S11 S12 H13 Y18 H136 Q141 L142 P143 | R9-E139 IonicContact CZ-OE2 3.72Å; R9-E139 VanDerWaalsContact CZ-OE2 3.25Å; R9-E139 VanDerWaalsContact NH1-CD 3.33Å; R9-E139 IonicContact NH1-OE2 2.8Å; R9-E139 PolarHBondContact NH1-OE2 2.93Å; R9-E139 IonicContact NH2-OE2 3.05Å; R9-E139 PolarHBondContact NH2-OE2 3.42Å; S11-E139 VanDerWaalsContact C-OE1 3.25Å; S12-E139 PolarHBondContact N-OE1 2.94Å; S12-E139 PolarHBondContact OG-OE2 3.46Å; S12-E139 VanDerWaalsContact OG-OE2 3.06Å; H13-E139 VanDerWaalsContact CB-OE1 3.31Å; H13-E139 WeakPolarHBondContact CB-OE1 3.45Å; H13-E139 IonicContact CE1-OE2 3.27Å; H13-E139 IonicContact CG-OE1 2.75Å; H13-E139 IonicContact CG-OE2 3.91Å; H13-E139 PolarHBondContact N-OE1 3.5Å; H13-E139 IonicContact ND1-OE1 3.25Å; H13-E139 IonicContact ND1-OE2 3.58Å; H13-E139 PolarHBondContact ND1-OE2 3.34Å; Y18-E139 HydrophobicContact CE1-CG 4.39Å; Y18-E139 PolarHBondContact OH-OE1 3.48Å; H136-E139 PolarHBondContact O-N 3.44Å; E139-Q141 PolarHBondContact O-N 3.01Å; E139-L142 HydrophobicContact CB-CD1 4.29Å; E139-L142 HydrophobicContact CG-CD1 3.99Å; E139-L142 WeakPolarHBondContact O-CB 3.17Å; E139-L142 VanDerWaalsContact O-CG 3.27Å; E139-L142 WeakPolarHBondContact O-CG 3.35Å; E139-L142 PolarHBondContact O-N 3.03Å; E139-P143 WeakPolarHBondContact O-CD 3.42Å |
| 140 | M | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -64 | -12.3 | -176.7 | -66.7 | -59.3 | -53.8 | 0 | 0 | 113.3 | H13 W17 Y18 H53 A54 Y56 H136 V138 | H13-M140 HydrophobicContact CB-SD 4.4Å; W17-M140 HydrophobicContact CB-CE 3.79Å; W17-M140 HydrophobicContact CB-SD 3.58Å; W17-M140 VanDerWaalsContact CB-SD 3.58Å; W17-M140 HydrophobicContact CD2-SD 4.26Å; W17-M140 HydrophobicContact CE3-CE 4.1Å; W17-M140 HydrophobicContact CE3-CG 4.27Å; W17-M140 HydrophobicContact CE3-SD 3.87Å; W17-M140 HydrophobicContact CG-SD 4.18Å; Y18-M140 HydrophobicContact CD1-CE 3.86Å; Y18-M140 HydrophobicContact CD1-SD 3.66Å; Y18-M140 HydrophobicContact CE1-SD 3.79Å; H53-M140 HydrophobicContact CB-CB 3.93Å; H53-M140 HydrophobicContact CB-CG 4.41Å; H53-M140 VanDerWaalsContact O-CG 3.27Å; H53-M140 WeakPolarHBondContact O-CG 3.37Å; A54-M140 WeakPolarHBondContact O-CE 3.33Å; Y56-M140 HydrophobicContact CD1-CE 3.5Å; Y56-M140 VanDerWaalsContact CD1-CE 3.5Å; Y56-M140 HydrophobicContact CE1-CE 3.59Å; Y56-M140 VanDerWaalsContact CE1-O 3.23Å; Y56-M140 WeakPolarHBondContact CE1-O 3.25Å; Y56-M140 HydrophobicContact CG-CE 4.43Å; Y56-M140 PolarHBondContact OH-O 3.1Å; H136-M140 HydrophobicContact CB-CG 4.42Å; H136-M140 VanDerWaalsContact O-CG 3.23Å; H136-M140 WeakPolarHBondContact O-CG 3.5Å; H136-M140 PolarHBondContact O-N 3.19Å; V138-M140 VanDerWaalsContact C-N 3.29Å; V138-M140 PolarHBondContact O-N 3.19Å |
| 141 | Q | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -90.3 | -23.2 | 175.8 | -52.3 | -46.3 | -38.1 | 0 | 0 | 113.2 | P52 Y67 I80 V138 E139 Y144 I145 V190 S192 | P52-Q141 PolarHBondContact O-NE2 3.19Å; Y67-Q141 WeakPolarHBondContact OH-CB 3.22Å; Y67-Q141 PolarHBondContact OH-O 3.18Å; Y67-Q141 PolarHBondContact OH-OE1 3.13Å; I80-Q141 HydrophobicContact CG2-CB 3.89Å; I80-Q141 HydrophobicContact CG2-CG 3.9Å; V138-Q141 WeakPolarHBondContact O-CB 3.36Å; V138-Q141 PolarHBondContact O-N 3.27Å; V138-Q141 VanDerWaalsContact O-N 3.16Å; E139-Q141 PolarHBondContact O-N 3.01Å; Q141-Y144 PolarHBondContact O-N 3.06Å; Q141-I145 HydrophobicContact CB-CD1 4.06Å; Q141-I145 WeakPolarHBondContact O-CD1 3.49Å; Q141-I145 VanDerWaalsContact O-CG1 3.28Å; Q141-I145 WeakPolarHBondContact O-CG1 3.49Å; Q141-I145 PolarHBondContact O-N 3.38Å; Q141-I145 VanDerWaalsContact O-N 3.1Å; Q141-V190 HydrophobicContact CB-CG1 4.09Å; Q141-V190 HydrophobicContact CG-CG1 3.85Å; Q141-S192 PolarHBondContact NE2-OG 2.96Å |
| 142 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.4 | -42.3 | -169.4 | -46.9 | 165.6 | 0 | 0 | 0 | 113.5 | I80 Y101 T103 L108 E139 Y144 I145 A146 I158 | I80-L142 HydrophobicContact CD1-CD2 3.66Å; Y101-L142 HydrophobicContact CD1-CD1 3.69Å; Y101-L142 HydrophobicContact CD1-CD2 3.88Å; Y101-L142 HydrophobicContact CD1-CG 4.39Å; Y101-L142 HydrophobicContact CG-CD1 4.38Å; T103-L142 HydrophobicContact CG2-CB 3.62Å; T103-L142 HydrophobicContact CG2-CD1 4.46Å; L108-L142 HydrophobicContact CD1-CB 3.95Å; L108-L142 HydrophobicContact CD1-CD2 3.94Å; E139-L142 HydrophobicContact CB-CD1 4.29Å; E139-L142 HydrophobicContact CG-CD1 3.99Å; E139-L142 WeakPolarHBondContact O-CB 3.17Å; E139-L142 VanDerWaalsContact O-CG 3.27Å; E139-L142 WeakPolarHBondContact O-CG 3.35Å; E139-L142 PolarHBondContact O-N 3.03Å; L142-Y144 PolarHBondContact O-N 2.81Å; L142-I145 PolarHBondContact O-N 3.04Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 2.88Å; L142-I158 HydrophobicContact CD2-CD1 3.92Å |
| 143 | P | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 179.9 | -23.3 | 33.2 | 0 | 0 | 0 | 113 | Y18 L25 L29 Y56 F105 E139 I145 A146 H147 | Y18-P143 HydrophobicContact CD1-CG 4.38Å; Y18-P143 HydrophobicContact CD2-CG 3.97Å; Y18-P143 HydrophobicContact CE1-CG 4.3Å; Y18-P143 HydrophobicContact CE2-CG 3.86Å; Y18-P143 HydrophobicContact CG-CG 4.24Å; L25-P143 HydrophobicContact CD2-CB 3.91Å; L29-P143 HydrophobicContact CD1-CB 4.5Å; Y56-P143 HydrophobicContact CE2-CB 4.09Å; Y56-P143 HydrophobicContact CE2-CG 4.36Å; Y56-P143 WeakPolarHBondContact OH-CB 3.3Å; Y56-P143 WeakPolarHBondContact OH-CD 3.49Å; F105-P143 HydrophobicContact CE2-CB 4.17Å; F105-P143 WeakPolarHBondContact CE2-O 3.1Å; E139-P143 WeakPolarHBondContact O-CD 3.42Å; P143-I145 PolarHBondContact O-N 2.82Å; P143-A146 PolarHBondContact O-N 3.48Å; P143-H147 VanDerWaalsContact O-CB 3.25Å; P143-H147 WeakPolarHBondContact O-CB 3.36Å; P143-H147 PolarHBondContact O-N 2.79Å |
| 144 | Y | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.8 | -98.4 | -65 | 0 | 0 | 0 | 112.2 | L29 W32 L33 Y56 G60 A63 A64 Y67 Q141 L142 H147 I148 | L29-Y144 HydrophobicContact CB-CE1 4.43Å; L29-Y144 HydrophobicContact CD2-CD1 3.93Å; L29-Y144 HydrophobicContact CD2-CD2 3.99Å; L29-Y144 HydrophobicContact CD2-CE1 3.56Å; L29-Y144 HydrophobicContact CD2-CE2 3.64Å; L29-Y144 HydrophobicContact CD2-CG 4.12Å; L29-Y144 VanDerWaalsContact CD2-CZ 3.4Å; L29-Y144 HydrophobicContact CG-CE1 4.47Å; W32-Y144 VanDerWaalsContact CE3-OH 3.29Å; L33-Y144 HydrophobicContact CD1-CE1 4.39Å; L33-Y144 HydrophobicContact CD2-CE1 4.06Å; L33-Y144 HydrophobicContact CG-CE1 4.12Å; Y56-Y144 HydrophobicContact CE1-CD2 4.24Å; Y56-Y144 HydrophobicContact CE1-CE2 4.38Å; Y56-Y144 HydrophobicContact CE2-CD2 4.22Å; Y56-Y144 HydrophobicContact CE2-CE2 4.31Å; Y56-Y144 AromaticContact CZ-CD2 3.73Å; Y56-Y144 WeakPolarHBondContact OH-CD2 3.23Å; G60-Y144 PolarHBondContact O-OH 2.78Å; A63-Y144 HydrophobicContact CB-CD2 4.39Å; A63-Y144 HydrophobicContact CB-CE2 3.95Å; A64-Y144 HydrophobicContact CB-CE1 4.36Å; A64-Y144 WeakPolarHBondContact CB-OH 3.49Å; Y67-Y144 HydrophobicContact CD1-CD1 4.39Å; Y67-Y144 HydrophobicContact CD1-CG 4.32Å; Y67-Y144 AromaticContact CD2-CD1 3.81Å; Y67-Y144 HydrophobicContact CD2-CD1 3.81Å; Y67-Y144 AromaticContact CD2-CD2 3.84Å; Y67-Y144 HydrophobicContact CD2-CD2 3.84Å; Y67-Y144 HydrophobicContact CD2-CE1 4.37Å; Y67-Y144 HydrophobicContact CD2-CE2 4.38Å; Y67-Y144 AromaticContact CD2-CG 3.53Å; Y67-Y144 HydrophobicContact CD2-CG 3.53Å; Y67-Y144 HydrophobicContact CE1-CG 4.5Å; Y67-Y144 HydrophobicContact CE2-CD1 4.46Å; Y67-Y144 AromaticContact CE2-CD2 3.87Å; Y67-Y144 HydrophobicContact CE2-CD2 3.87Å; Y67-Y144 AromaticContact CE2-CG 3.73Å; Y67-Y144 HydrophobicContact CE2-CG 3.73Å; Y67-Y144 AromaticContact CG-CD1 3.8Å; Y67-Y144 HydrophobicContact CG-CD1 3.8Å; Y67-Y144 HydrophobicContact CG-CE1 4.49Å; Y67-Y144 AromaticContact CG-CG 3.87Å; Y67-Y144 HydrophobicContact CG-CG 3.87Å; Q141-Y144 PolarHBondContact O-N 3.06Å; L142-Y144 PolarHBondContact O-N 2.81Å; Y144-H147 PolarHBondContact O-N 3.38Å; Y144-I148 HydrophobicContact CD1-CD1 4.4Å; Y144-I148 PolarHBondContact O-N 2.97Å |
| 145 | I | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -50.9 | 177.3 | -70.4 | 166.2 | 0 | 0 | 0 | 110.7 | Y67 I78 I80 L108 Q141 L142 P143 H147 I148 M149 Y156 I158 V190 | Y67-I145 HydrophobicContact CE1-CG1 3.92Å; I78-I145 HydrophobicContact CD1-CG2 3.65Å; I78-I145 HydrophobicContact CG2-CD1 4.06Å; I80-I145 HydrophobicContact CD1-CD1 3.38Å; I80-I145 HydrophobicContact CG1-CD1 3.71Å; L108-I145 HydrophobicContact CD1-CG2 4.18Å; Q141-I145 HydrophobicContact CB-CD1 4.06Å; Q141-I145 WeakPolarHBondContact O-CD1 3.49Å; Q141-I145 VanDerWaalsContact O-CG1 3.28Å; Q141-I145 WeakPolarHBondContact O-CG1 3.49Å; Q141-I145 PolarHBondContact O-N 3.38Å; Q141-I145 VanDerWaalsContact O-N 3.1Å; L142-I145 PolarHBondContact O-N 3.04Å; P143-I145 PolarHBondContact O-N 2.82Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.45Å; I145-I148 PolarHBondContact O-N 2.81Å; I145-M149 HydrophobicContact CG2-CG 4.34Å; I145-M149 WeakPolarHBondContact O-CB 3.44Å; I145-M149 VanDerWaalsContact O-CG 3.23Å; I145-M149 WeakPolarHBondContact O-CG 3.49Å; I145-M149 PolarHBondContact O-N 2.76Å; I145-Y156 HydrophobicContact CG2-CE2 3.96Å; I145-I158 HydrophobicContact CG2-CG2 4.48Å; I145-V190 HydrophobicContact CD1-CG2 4.2Å |
| 146 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T103 F105 Y106 L108 L142 P143 K150 | T103-A146 HydrophobicContact CG2-CB 4.32Å; F105-A146 HydrophobicContact CB-CB 4.24Å; F105-A146 HydrophobicContact CD2-CB 3.94Å; Y106-A146 HydrophobicContact CE1-CB 4.13Å; Y106-A146 WeakPolarHBondContact CE1-O 3.11Å; Y106-A146 HydrophobicContact CE2-CB 4.28Å; Y106-A146 PolarHBondContact OH-O 2.73Å; L108-A146 HydrophobicContact CD2-CB 4.06Å; L142-A146 WeakPolarHBondContact O-CB 3.47Å; L142-A146 PolarHBondContact O-N 2.88Å; P143-A146 PolarHBondContact O-N 3.48Å; A146-K150 WeakPolarHBondContact O-CA 3.43Å; A146-K150 WeakPolarHBondContact O-CB 3.49Å; A146-K150 PolarHBondContact O-N 3.02Å; A146-K150 VanDerWaalsContact O-N 3.14Å |
| 147 | H | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.2 | -47 | 179.9 | -173.4 | 66.3 | 0 | 0 | 0 | 112.8 | S26 L29 D30 F105 P143 Y144 I145 K150 | S26-H147 PolarHBondContact OG-CE1 3.21Å; L29-H147 HydrophobicContact CD1-CB 3.7Å; D30-H147 VanDerWaalsContact CG-CE1 3.48Å; D30-H147 VanDerWaalsContact CG-NE2 3.3Å; D30-H147 IonicContact OD1-CD2 3.82Å; D30-H147 IonicContact OD1-CE1 3.15Å; D30-H147 PolarHBondContact OD1-CE1 3.35Å; D30-H147 IonicContact OD1-NE2 2.67Å; D30-H147 PolarHBondContact OD1-NE2 3.13Å; D30-H147 IonicContact OD2-CE1 3.36Å; D30-H147 PolarHBondContact OD2-CE1 3.28Å; D30-H147 IonicContact OD2-NE2 3.66Å; F105-H147 HydrophobicContact CE2-CB 4.02Å; F105-H147 HydrophobicContact CZ-CB 4.37Å; P143-H147 VanDerWaalsContact O-CB 3.25Å; P143-H147 WeakPolarHBondContact O-CB 3.36Å; P143-H147 PolarHBondContact O-N 2.79Å; Y144-H147 PolarHBondContact O-N 3.38Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.45Å; H147-K150 PolarHBondContact CE1-NZ 2.93Å; H147-K150 WeakPolarHBondContact O-CB 3.5Å; H147-K150 WeakPolarHBondContact O-CD 3.46Å; H147-K150 WeakPolarHBondContact O-CG 3.43Å |
| 148 | I | 97.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.149 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.6 | -37.7 | -179.6 | -72.4 | 166.6 | 0 | 0 | 0 | 111.4 | L33 Y67 I70 Y144 I145 K150 | L33-I148 HydrophobicContact CD1-CD1 4.48Å; L33-I148 HydrophobicContact CD1-CG1 4.2Å; L33-I148 HydrophobicContact CD2-CD1 4.22Å; Y67-I148 HydrophobicContact CD1-CD1 3.52Å; Y67-I148 HydrophobicContact CG-CD1 3.82Å; Y67-I148 VanDerWaalsContact O-CD1 3.22Å; Y67-I148 WeakPolarHBondContact O-CD1 3.22Å; I70-I148 HydrophobicContact CB-CG2 4.18Å; I70-I148 HydrophobicContact CG2-CG2 4.03Å; Y144-I148 HydrophobicContact CD1-CD1 4.4Å; Y144-I148 PolarHBondContact O-N 2.97Å; I145-I148 PolarHBondContact O-N 2.81Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.48Å |
| 149 | M | 98 | Very high | 97.9 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.2 | -177.3 | -59.2 | -62 | -64.6 | 0 | 0 | 113.4 | P72 I75 I78 I145 R151 R152 K153 Y156 | P72-M149 HydrophobicContact CB-CE 3.98Å; P72-M149 HydrophobicContact CB-SD 3.52Å; P72-M149 VanDerWaalsContact CB-SD 3.52Å; I75-M149 HydrophobicContact CB-CE 3.87Å; I75-M149 HydrophobicContact CG2-CE 3.94Å; I78-M149 HydrophobicContact CD1-CE 4.43Å; I78-M149 HydrophobicContact CD1-CG 3.81Å; I78-M149 HydrophobicContact CD1-SD 4.2Å; I145-M149 HydrophobicContact CG2-CG 4.34Å; I145-M149 WeakPolarHBondContact O-CB 3.44Å; I145-M149 VanDerWaalsContact O-CG 3.23Å; I145-M149 WeakPolarHBondContact O-CG 3.49Å; I145-M149 PolarHBondContact O-N 2.76Å; M149-R151 PolarHBondContact O-N 2.86Å; M149-R152 HydrophobicContact CE-CB 4.45Å; M149-R152 CarbonylContact O-C 3.36Å; M149-R152 WeakPolarHBondContact O-CA 3.1Å; M149-R152 PolarHBondContact O-N 3.22Å; M149-K153 PolarHBondContact O-N 3.25Å; M149-Y156 HydrophobicContact CB-CD1 3.86Å; M149-Y156 HydrophobicContact CB-CE1 3.26Å; M149-Y156 HydrophobicContact CB-CE2 4.15Å; M149-Y156 VanDerWaalsContact CB-CZ 3.42Å; M149-Y156 HydrophobicContact CE-CD1 3.9Å; M149-Y156 HydrophobicContact CE-CE1 4.48Å; M149-Y156 HydrophobicContact CE-CG 3.93Å; M149-Y156 HydrophobicContact CG-CD1 4.44Å; M149-Y156 HydrophobicContact CG-CE1 4.13Å; M149-Y156 HydrophobicContact CG-CE2 4.25Å |
| 150 | K | 97.2 | Very high | 97.9 | Very high | 101 Ų | 101 | 35.7 Ų | 35.7 | 44% | 0.439 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -52.3 | -36.4 | -172.8 | 66.1 | -169 | 166.5 | -164.1 | 0 | 114.6 | D30 Y106 A146 H147 I148 R152 K153 | D30-K150 IonicContact OD1-NZ 2.93Å; Y106-K150 HydrophobicContact CE1-CB 4.35Å; A146-K150 WeakPolarHBondContact O-CA 3.43Å; A146-K150 WeakPolarHBondContact O-CB 3.49Å; A146-K150 PolarHBondContact O-N 3.02Å; A146-K150 VanDerWaalsContact O-N 3.14Å; H147-K150 PolarHBondContact CE1-NZ 2.93Å; H147-K150 WeakPolarHBondContact O-CB 3.5Å; H147-K150 WeakPolarHBondContact O-CD 3.46Å; H147-K150 WeakPolarHBondContact O-CG 3.43Å; I148-K150 VanDerWaalsContact C-N 3.31Å; I148-K150 PolarHBondContact O-N 3.48Å; K150-R152 PolarHBondContact O-N 3.21Å; K150-K153 PolarHBondContact O-N 3.15Å |
| 151 | R | 96.7 | Very high | 97.9 | Very high | 199 Ų | 199 | 35.7 Ų | 35.7 | 75% | 0.751 | 17% | 0.17 | S | C | * | . | G | 310 helix | trans | -66.4 | -20.3 | 176.7 | -72.4 | -179.4 | 58.7 | -163.6 | -8.1 | 113.6 | M149 | M149-R151 PolarHBondContact O-N 2.86Š|
| 152 | R | 96.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -119 | 18.6 | -178.2 | -61.3 | -163.5 | 76.6 | -159.9 | -1.1 | 112.8 | P72 D73 I75 M149 K150 S154 Q155 Y156 | P72-R152 WeakPolarHBondContact O-CD 3.37Å; P72-R152 PolarHBondContact O-NH1 3.44Å; D73-R152 VanDerWaalsContact O-CZ 3.31Å; D73-R152 PolarHBondContact O-NH1 3.31Å; I75-R152 VanDerWaalsContact N-NH1 3.19Å; I75-R152 PolarHBondContact O-NH1 3.3Å; M149-R152 HydrophobicContact CE-CB 4.45Å; M149-R152 CarbonylContact O-C 3.36Å; M149-R152 WeakPolarHBondContact O-CA 3.1Å; M149-R152 PolarHBondContact O-N 3.22Å; K150-R152 PolarHBondContact O-N 3.21Å; R152-S154 PolarHBondContact O-N 3.19Å; R152-Q155 HydrophobicContact CB-CB 4.31Å; R152-Q155 PolarHBondContact O-N 2.63Å; R152-Y156 HydrophobicContact CB-CD1 4.48Å; R152-Y156 VanDerWaalsContact O-CD1 3.27Å; R152-Y156 WeakPolarHBondContact O-CD1 3.21Å |
| 153 | K | 94.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 35.9 Ų | 35.9 | 46% | 0.461 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -37.2 | -38.3 | -177.8 | 171.3 | 174.9 | 176.9 | -178.3 | 0 | 115.9 | Y106 M149 K150 | Y106-K153 HydrophobicContact CD1-CD 3.7Å; Y106-K153 HydrophobicContact CD1-CG 4.32Å; Y106-K153 HydrophobicContact CD2-CD 3.68Å; Y106-K153 HydrophobicContact CD2-CG 3.67Å; Y106-K153 HydrophobicContact CE1-CB 4.3Å; Y106-K153 HydrophobicContact CE1-CD 3.98Å; Y106-K153 HydrophobicContact CE1-CG 4.2Å; Y106-K153 HydrophobicContact CE2-CB 4.05Å; Y106-K153 HydrophobicContact CE2-CD 3.96Å; Y106-K153 HydrophobicContact CE2-CG 3.54Å; Y106-K153 HydrophobicContact CG-CD 3.53Å; Y106-K153 HydrophobicContact CG-CG 4.07Å; M149-K153 PolarHBondContact O-N 3.25Å; K150-K153 PolarHBondContact O-N 3.15Å |
| 154 | S | 95.5 | Very high | 97.9 | Very high | 118 Ų | 118 | 36 Ų | 36 | 83% | 0.825 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 6 | -177.3 | -56.5 | 0 | 0 | 0 | 0 | 114.9 | R152 | R152-S154 PolarHBondContact O-N 3.19Š|
| 155 | Q | 97.4 | Very high | 97.8 | Very high | 112 Ų | 112 | 38.4 Ų | 38.4 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | 0.1 | -172.1 | -56.9 | 175.4 | 27.6 | 0 | 0 | 113.3 | R152 | R152-Q155 HydrophobicContact CB-CB 4.31Å; R152-Q155 PolarHBondContact O-N 2.63Å |
| 156 | Y | 98.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | trans | -131.5 | 165.3 | 173.4 | 78.9 | -80.9 | 0 | 0 | 0 | 111.1 | E76 I78 Y106 L108 I145 M149 R152 I158 | E76-Y156 CarbonylContact O-C 3.57Å; E76-Y156 WeakPolarHBondContact O-CA 3.39Å; I78-Y156 HydrophobicContact CD1-CD2 3.95Å; I78-Y156 HydrophobicContact CD1-CE2 4.13Å; I78-Y156 HydrophobicContact CG1-CD2 4.38Å; Y106-Y156 WeakPolarHBondContact CE2-OH 3.29Å; Y106-Y156 PolarHBondContact OH-OH 2.83Å; L108-Y156 HydrophobicContact CD2-CE2 4.2Å; L108-Y156 WeakPolarHBondContact CD2-OH 3.44Å; I145-Y156 HydrophobicContact CG2-CE2 3.96Å; M149-Y156 HydrophobicContact CB-CD1 3.86Å; M149-Y156 HydrophobicContact CB-CE1 3.26Å; M149-Y156 HydrophobicContact CB-CE2 4.15Å; M149-Y156 VanDerWaalsContact CB-CZ 3.42Å; M149-Y156 HydrophobicContact CE-CD1 3.9Å; M149-Y156 HydrophobicContact CE-CE1 4.48Å; M149-Y156 HydrophobicContact CE-CG 3.93Å; M149-Y156 HydrophobicContact CG-CD1 4.44Å; M149-Y156 HydrophobicContact CG-CE1 4.13Å; M149-Y156 HydrophobicContact CG-CE2 4.25Å; R152-Y156 HydrophobicContact CB-CD1 4.48Å; R152-Y156 VanDerWaalsContact O-CD1 3.27Å; R152-Y156 WeakPolarHBondContact O-CD1 3.21Å; Y156-I158 HydrophobicContact CD2-CG2 4.44Å; Y156-I158 HydrophobicContact CE2-CG2 4.13Å | ||
| 157 | S | 98.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 167 | 174.7 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | E76 C77 I78 K109 N111 | E76-S157 PolarHBondContact O-N 3.5Å; C77-S157 CarbonylContact C-O 3.51Å; C77-S157 WeakPolarHBondContact CA-O 3.37Å; I78-S157 PolarHBondContact N-O 2.66Å; K109-S157 CarbonylContact O-C 3.57Å; K109-S157 VanDerWaalsContact O-CA 3.31Å; K109-S157 WeakPolarHBondContact O-CA 3.38Å; K109-S157 VanDerWaalsContact O-CB 3.3Å; K109-S157 WeakPolarHBondContact O-CB 3.4Å; N111-S157 WeakPolarHBondContact CB-OG 3.46Å; N111-S157 PolarHBondContact ND2-OG 2.84Å |
| 158 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 156 | -179.2 | 65 | 167 | 0 | 0 | 0 | 111.7 | I78 I80 Y101 L108 K109 I110 N111 L142 I145 Y156 | I78-I158 HydrophobicContact CB-CG2 4.32Å; I78-I158 CarbonylContact O-C 3.57Å; I78-I158 VanDerWaalsContact O-CA 3.24Å; I78-I158 WeakPolarHBondContact O-CA 3.35Å; I80-I158 HydrophobicContact CD1-CB 4.29Å; I80-I158 HydrophobicContact CD1-CD1 4.24Å; I80-I158 HydrophobicContact CD1-CG2 4.35Å; Y101-I158 HydrophobicContact CD1-CD1 4.4Å; Y101-I158 HydrophobicContact CD2-CD1 4.5Å; Y101-I158 HydrophobicContact CG-CD1 4.1Å; L108-I158 HydrophobicContact CB-CD1 3.72Å; L108-I158 HydrophobicContact CB-CG1 4.13Å; L108-I158 HydrophobicContact CB-CG2 4.33Å; L108-I158 HydrophobicContact CD1-CD1 4.17Å; L108-I158 HydrophobicContact CD1-CG2 4.21Å; K109-I158 PolarHBondContact O-N 3.33Å; I110-I158 CarbonylContact C-O 3.59Å; I110-I158 WeakPolarHBondContact CA-O 3.48Å; I110-I158 HydrophobicContact CD1-CD1 4.07Å; I110-I158 HydrophobicContact CD1-CG1 3.77Å; N111-I158 PolarHBondContact N-O 2.89Å; L142-I158 HydrophobicContact CD2-CD1 3.92Å; I145-I158 HydrophobicContact CG2-CG2 4.48Å; Y156-I158 HydrophobicContact CD2-CG2 4.44Å; Y156-I158 HydrophobicContact CE2-CG2 4.13Å |
| 159 | V | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 89.3 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 108 | C77 I78 F79 I80 N111 V114 L118 I161 | C77-V159 VanDerWaalsContact SG-CG2 3.58Å; I78-V159 PolarHBondContact O-N 2.93Å; F79-V159 WeakPolarHBondContact CA-O 3.38Å; F79-V159 HydrophobicContact CD1-CB 3.7Å; F79-V159 HydrophobicContact CD1-CG1 3.73Å; F79-V159 HydrophobicContact CD1-CG2 4.38Å; F79-V159 HydrophobicContact CE1-CB 3.9Å; F79-V159 HydrophobicContact CE1-CG1 3.75Å; F79-V159 HydrophobicContact CE1-CG2 4.16Å; F79-V159 HydrophobicContact CG-CB 4.16Å; F79-V159 HydrophobicContact CZ-CB 4.5Å; F79-V159 HydrophobicContact CZ-CG2 4.32Å; I80-V159 PolarHBondContact N-O 2.88Å; N111-V159 HydrophobicContact CB-CG2 3.68Å; V114-V159 HydrophobicContact CB-CG2 3.97Å; V114-V159 HydrophobicContact CG1-CG1 4.19Å; V114-V159 HydrophobicContact CG1-CG2 3.76Å; L118-V159 HydrophobicContact CD1-CG1 3.9Å; V159-I161 HydrophobicContact CG1-CD1 4.27Å; V159-I161 HydrophobicContact CG1-CG1 4.13Å |
| 160 | P | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.2 | 175.2 | 30 | -32.5 | 0 | 0 | 0 | 109.9 | I80 T96 Y101 I110 V138 | I80-P160 WeakPolarHBondContact O-CA 3.5Å; T96-P160 HydrophobicContact CG2-CG 3.85Å; Y101-P160 HydrophobicContact CE1-CB 4.06Å; Y101-P160 HydrophobicContact CE1-CG 4.15Å; Y101-P160 HydrophobicContact CE2-CG 3.74Å; Y101-P160 VanDerWaalsContact CZ-CG 3.5Å; Y101-P160 WeakPolarHBondContact OH-CG 3.29Å; I110-P160 VanDerWaalsContact CD1-CD 3.46Å; I110-P160 HydrophobicContact CD1-CG 3.68Å; V138-P160 HydrophobicContact CG1-CB 3.65Å |
| 161 | I | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 119.1 | 176.7 | -57.8 | -179.9 | 0 | 0 | 0 | 107.9 | F79 I80 I81 G82 C93 L95 L118 F124 V159 L178 | F79-I161 HydrophobicContact CD1-CD1 4.14Å; I80-I161 PolarHBondContact O-N 2.97Å; I81-I161 WeakPolarHBondContact CA-O 3.27Å; I81-I161 HydrophobicContact CG1-CB 4.3Å; G82-I161 PolarHBondContact N-O 2.84Å; G82-I161 VanDerWaalsContact N-O 3.12Å; C93-I161 HydrophobicContact CB-CG2 3.71Å; L95-I161 HydrophobicContact CD2-CG1 4.13Å; L118-I161 HydrophobicContact CD1-CD1 4.21Å; F124-I161 HydrophobicContact CE1-CD1 4.44Å; F124-I161 HydrophobicContact CE1-CG2 4.22Å; V159-I161 HydrophobicContact CG1-CD1 4.27Å; V159-I161 HydrophobicContact CG1-CG1 4.13Å; I161-L178 HydrophobicContact CD1-CD1 4.08Å; I161-L178 HydrophobicContact CD1-CD2 4.17Å |
| 162 | V | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.1 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | G82 I89 C93 A94 L127 E135 V138 | G82-V162 CarbonylContact O-C 3.48Å; G82-V162 WeakPolarHBondContact O-CA 3.47Å; I89-V162 HydrophobicContact CD1-CG1 4.05Å; C93-V162 CarbonylContact C-O 3.54Å; C93-V162 VanDerWaalsContact CA-O 3.28Å; C93-V162 WeakPolarHBondContact CA-O 3.27Å; A94-V162 PolarHBondContact N-O 2.83Å; A94-V162 PolarHBondContact O-N 2.84Å; L127-V162 HydrophobicContact CD1-CB 4.08Å; L127-V162 HydrophobicContact CD1-CG2 3.76Å; E135-V162 HydrophobicContact CG-CG1 4.4Å; E135-V162 HydrophobicContact CG-CG2 4.39Å; V138-V162 HydrophobicContact CG2-CG2 4.09Å |
| 163 | V | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 123.1 | -175.7 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | I81 G82 S84 L166 R252 | I81-V163 HydrophobicContact CG2-CG2 3.35Å; G82-V163 PolarHBondContact O-N 2.96Å; S84-V163 PolarHBondContact N-O 3.05Å; V163-L166 HydrophobicContact CG1-CD1 3.65Å; V163-L166 HydrophobicContact CG1-CG 3.74Å; V163-R252 HydrophobicContact CG1-CB 3.71Å |
| 164 | G | 98.2 | Very high | 98.2 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -81.6 | -154.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G90 T92 L166 R252 | G90-G164 CarbonylContact O-C 3.51Å; G90-G164 WeakPolarHBondContact O-CA 3.47Å; T92-G164 VanDerWaalsContact O-CA 3.32Å; T92-G164 WeakPolarHBondContact O-CA 3.36Å; T92-G164 PolarHBondContact O-N 2.82Å; G164-L166 PolarHBondContact O-N 2.83Å; G164-R252 WeakPolarHBondContact O-CD 3.42Å | ||
| 165 | S | 97 | Very high | 98.4 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -80.7 | 50.5 | 178.9 | -71.5 | 0 | 0 | 0 | 0 | 114.2 | G90 S167 R252 | G90-S165 PolarHBondContact O-N 3.27Å; S165-S167 PolarHBondContact O-N 3.14Å; S165-R252 VanDerWaalsContact CA-NH1 3.33Å; S165-R252 PolarHBondContact OG-NH1 3.03Å |
| 166 | L | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | trans | -55.3 | 127 | -174.5 | -57.4 | -168.8 | 0 | 0 | 0 | 114 | D91 T92 V163 G164 K170 Q171 F174 R252 V256 | D91-L166 WeakPolarHBondContact OD1-CA 3.37Å; T92-L166 VanDerWaalsContact C-CD2 3.44Å; T92-L166 VanDerWaalsContact N-CD2 3.32Å; T92-L166 WeakPolarHBondContact O-CD2 3.48Å; V163-L166 HydrophobicContact CG1-CD1 3.65Å; V163-L166 HydrophobicContact CG1-CG 3.74Å; G164-L166 PolarHBondContact O-N 2.83Å; L166-K170 HydrophobicContact CB-CB 4.24Å; L166-K170 HydrophobicContact CD2-CB 4Å; L166-Q171 HydrophobicContact CB-CG 3.68Å; L166-Q171 HydrophobicContact CD1-CG 4.01Å; L166-Q171 PolarHBondContact O-NE2 2.92Å; L166-Q171 VanDerWaalsContact O-NE2 3.11Å; L166-F174 HydrophobicContact CD1-CD2 3.93Å; L166-F174 HydrophobicContact CD2-CD2 4.15Å; L166-F174 HydrophobicContact CD2-CE2 3.98Å; L166-R252 HydrophobicContact CB-CB 4.47Å; L166-R252 PolarHBondContact O-NE 3.47Å; L166-V256 HydrophobicContact CD1-CG2 3.71Å | ||
| 167 | S | 97.8 | Very high | 98.4 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | trans | -62 | 165.2 | 158.5 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | D91 S165 E169 K170 Q171 | D91-S167 PolarHBondContact OD1-N 2.75Å; D91-S167 PolarHBondContact OD1-OG 3.05Å; D91-S167 PolarHBondContact OD2-OG 3.12Å; S165-S167 PolarHBondContact O-N 3.14Å; S167-E169 VanDerWaalsContact C-N 3.28Å; S167-E169 WeakPolarHBondContact CB-OE2 3.47Å; S167-E169 PolarHBondContact O-N 3.24Å; S167-K170 PolarHBondContact O-N 2.76Å; S167-K170 WeakPolarHBondContact OG-CB 3.32Å; S167-K170 WeakPolarHBondContact OG-CG 3.29Å; S167-K170 PolarHBondContact OG-N 3.42Å; S167-K170 VanDerWaalsContact OG-N 3.17Å; S167-Q171 VanDerWaalsContact O-CG 3.28Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 2.8Å; S167-Q171 PolarHBondContact O-NE2 3.03Å | ||
| 168 | F | 97.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 33% | 0.325 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.4 | -36.2 | 177.2 | -66.6 | -46.5 | 0 | 0 | 0 | 111.3 | K170 Q171 E172 I238 | F168-K170 VanDerWaalsContact C-N 3.32Å; F168-K170 PolarHBondContact O-N 2.95Å; F168-Q171 PolarHBondContact O-N 2.78Å; F168-E172 PolarHBondContact O-N 3.34Å; F168-I238 HydrophobicContact CB-CD1 4.37Å; F168-I238 HydrophobicContact CD1-CD1 3.75Å; F168-I238 HydrophobicContact CD1-CG1 3.76Å; F168-I238 HydrophobicContact CD2-CD1 4.3Å; F168-I238 HydrophobicContact CD2-CG2 4.2Å; F168-I238 HydrophobicContact CE1-CB 4.33Å; F168-I238 HydrophobicContact CE1-CD1 4.08Å; F168-I238 HydrophobicContact CE1-CG1 3.56Å; F168-I238 HydrophobicContact CE1-CG2 4.17Å; F168-I238 HydrophobicContact CE2-CG1 4.38Å; F168-I238 HydrophobicContact CE2-CG2 3.57Å; F168-I238 HydrophobicContact CG-CD1 3.89Å; F168-I238 HydrophobicContact CG-CG1 4.3Å; F168-I238 HydrophobicContact CZ-CB 4.17Å; F168-I238 HydrophobicContact CZ-CD1 4.47Å; F168-I238 HydrophobicContact CZ-CG1 3.89Å; F168-I238 HydrophobicContact CZ-CG2 3.57Å |
| 169 | E | 98.1 | Very high | 98.4 | Very high | 133 Ų | 133 | 31.1 Ų | 31.1 | 62% | 0.621 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -61.3 | -40.8 | 174.6 | -61.3 | 76.4 | -169.9 | 0 | 0 | 111.1 | S167 E172 F173 | S167-E169 VanDerWaalsContact C-N 3.28Å; S167-E169 WeakPolarHBondContact CB-OE2 3.47Å; S167-E169 PolarHBondContact O-N 3.24Å; E169-E172 PolarHBondContact O-N 3.21Å; E169-F173 WeakPolarHBondContact O-CB 3.37Å; E169-F173 PolarHBondContact O-N 2.7Å |
| 170 | K | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -74.1 | -34.5 | 174.6 | -75.1 | -61.5 | -166.6 | 174.6 | 0 | 113.7 | D91 L166 S167 F168 E172 F173 F174 | D91-K170 WeakPolarHBondContact OD1-CB 3.47Å; D91-K170 WeakPolarHBondContact OD1-CG 3.28Å; D91-K170 WeakPolarHBondContact OD2-CG 3.28Å; L166-K170 HydrophobicContact CB-CB 4.24Å; L166-K170 HydrophobicContact CD2-CB 4Å; S167-K170 PolarHBondContact O-N 2.76Å; S167-K170 WeakPolarHBondContact OG-CB 3.32Å; S167-K170 WeakPolarHBondContact OG-CG 3.29Å; S167-K170 PolarHBondContact OG-N 3.42Å; S167-K170 VanDerWaalsContact OG-N 3.17Å; F168-K170 VanDerWaalsContact C-N 3.32Å; F168-K170 PolarHBondContact O-N 2.95Å; K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 PolarHBondContact O-N 3.43Å; K170-F173 HydrophobicContact CD-CB 4.45Å; K170-F173 HydrophobicContact CD-CD1 4.44Å; K170-F173 PolarHBondContact O-N 3.21Å; K170-F174 HydrophobicContact CD-CE2 4.49Å; K170-F174 VanDerWaalsContact O-CD2 3.25Å; K170-F174 WeakPolarHBondContact O-CD2 3.41Å; K170-F174 PolarHBondContact O-N 2.68Å |
| 171 | Q | 98.7 | Very high | 98.3 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -43 | 171.7 | -70.3 | 167.1 | 51.6 | 0 | 0 | 110.6 | L166 S167 F168 G175 V256 F259 | L166-Q171 HydrophobicContact CB-CG 3.68Å; L166-Q171 HydrophobicContact CD1-CG 4.01Å; L166-Q171 PolarHBondContact O-NE2 2.92Å; L166-Q171 VanDerWaalsContact O-NE2 3.11Å; S167-Q171 VanDerWaalsContact O-CG 3.28Å; S167-Q171 WeakPolarHBondContact O-CG 3.2Å; S167-Q171 PolarHBondContact O-N 2.8Å; S167-Q171 PolarHBondContact O-NE2 3.03Å; F168-Q171 PolarHBondContact O-N 2.78Å; Q171-G175 PolarHBondContact O-N 3.15Å; Q171-V256 HydrophobicContact CB-CG2 4.3Å; Q171-V256 HydrophobicContact CG-CG2 4.3Å; Q171-F259 HydrophobicContact CB-CD2 3.77Å; Q171-F259 HydrophobicContact CB-CE2 3.83Å |
| 172 | E | 98.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 173.6 | -176.8 | 172.1 | -148 | 0 | 0 | 111.9 | F168 E169 K170 F174 G175 N176 F259 | F168-E172 PolarHBondContact O-N 3.34Å; E169-E172 PolarHBondContact O-N 3.21Å; K170-E172 VanDerWaalsContact C-N 3.28Å; K170-E172 PolarHBondContact O-N 3.43Å; E172-F174 PolarHBondContact O-N 2.58Å; E172-G175 PolarHBondContact O-N 2.62Å; E172-N176 WeakPolarHBondContact O-CB 3.48Å; E172-N176 PolarHBondContact O-N 2.96Å; E172-N176 PolarHBondContact O-ND2 2.94Å; E172-F259 VanDerWaalsContact CA-CG 3.48Å; E172-F259 HydrophobicContact CB-CD1 3.68Å; E172-F259 HydrophobicContact CB-CD2 4.17Å; E172-F259 HydrophobicContact CB-CE1 3.68Å; E172-F259 HydrophobicContact CB-CE2 4.18Å; E172-F259 HydrophobicContact CB-CG 3.93Å; E172-F259 HydrophobicContact CB-CZ 3.94Å; E172-F259 HydrophobicContact CG-CD1 3.72Å; E172-F259 HydrophobicContact CG-CE1 3.89Å; E172-F259 HydrophobicContact CG-CG 4.33Å |
| 173 | F | 98.7 | Very high | 98 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 37% | 0.373 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.7 | -52.9 | 177.3 | 173.5 | -95 | 0 | 0 | 0 | 112.5 | C123 E169 K170 N176 L177 | C123-F173 HydrophobicContact CB-CE1 3.83Å; C123-F173 HydrophobicContact CB-CZ 3.92Å; E169-F173 WeakPolarHBondContact O-CB 3.37Å; E169-F173 PolarHBondContact O-N 2.7Å; K170-F173 HydrophobicContact CD-CB 4.45Å; K170-F173 HydrophobicContact CD-CD1 4.44Å; K170-F173 PolarHBondContact O-N 3.21Å; F173-N176 PolarHBondContact O-N 2.82Å; F173-L177 HydrophobicContact CE1-CD1 4.02Å; F173-L177 HydrophobicContact CZ-CD1 4.21Å; F173-L177 WeakPolarHBondContact O-CB 3.34Å; F173-L177 PolarHBondContact O-N 3.32Å |
| 174 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.8 | -33.4 | 179.2 | -75.5 | -70.3 | 0 | 0 | 0 | 112.2 | C93 C123 F124 L166 K170 E172 L177 L178 V256 | C93-F174 HydrophobicContact CB-CD1 4.16Å; C93-F174 HydrophobicContact CB-CE1 3.83Å; C93-F174 HydrophobicContact CB-CE2 4.23Å; C93-F174 HydrophobicContact CB-CZ 3.87Å; C93-F174 VanDerWaalsContact SG-CD2 3.57Å; C123-F174 WeakPolarHBondContact O-CZ 3.43Å; F124-F174 HydrophobicContact CD1-CE1 4Å; F124-F174 HydrophobicContact CD2-CE1 4.28Å; F124-F174 AromaticContact CE1-CD1 3.94Å; F124-F174 HydrophobicContact CE1-CD1 3.94Å; F124-F174 AromaticContact CE1-CE1 3.68Å; F124-F174 HydrophobicContact CE1-CE1 3.68Å; F124-F174 HydrophobicContact CE2-CD1 4.34Å; F124-F174 AromaticContact CE2-CE1 3.97Å; F124-F174 HydrophobicContact CE2-CE1 3.97Å; F124-F174 HydrophobicContact CG-CE1 4.29Å; F124-F174 AromaticContact CZ-CD1 3.74Å; F124-F174 HydrophobicContact CZ-CD1 3.74Å; F124-F174 AromaticContact CZ-CE1 3.66Å; F124-F174 HydrophobicContact CZ-CE1 3.66Å; L166-F174 HydrophobicContact CD1-CD2 3.93Å; L166-F174 HydrophobicContact CD2-CD2 4.15Å; L166-F174 HydrophobicContact CD2-CE2 3.98Å; K170-F174 HydrophobicContact CD-CE2 4.49Å; K170-F174 VanDerWaalsContact O-CD2 3.25Å; K170-F174 WeakPolarHBondContact O-CD2 3.41Å; K170-F174 PolarHBondContact O-N 2.68Å; E172-F174 PolarHBondContact O-N 2.58Å; F174-L177 HydrophobicContact CD1-CD1 4.47Å; F174-L177 PolarHBondContact O-N 2.89Å; F174-L178 WeakPolarHBondContact O-CB 3.37Å; F174-L178 WeakPolarHBondContact O-CG 3.15Å; F174-L178 PolarHBondContact O-N 2.93Å; F174-V256 HydrophobicContact CB-CG1 4.19Å; F174-V256 HydrophobicContact CB-CG2 4.32Å |
| 175 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q171 E172 L177 L178 S179 V256 M260 | Q171-G175 PolarHBondContact O-N 3.15Å; E172-G175 PolarHBondContact O-N 2.62Å; G175-L177 VanDerWaalsContact C-N 3.35Å; G175-L177 PolarHBondContact O-N 2.81Å; G175-L178 PolarHBondContact O-N 2.93Å; G175-S179 WeakPolarHBondContact O-CB 3.32Å; G175-S179 PolarHBondContact O-N 2.94Å; G175-V256 WeakPolarHBondContact CA-O 3.21Å; G175-M260 WeakPolarHBondContact O-CA 3.3Å; G175-M260 VanDerWaalsContact O-CG 3.27Å; G175-M260 WeakPolarHBondContact O-CG 3.24Å |
| 176 | N | 98.5 | Very high | 97.7 | Very high | 60 Ų | 60 | 49.3 Ų | 49.3 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 175.4 | -72.9 | -21.2 | 0 | 0 | 0 | 111.7 | E172 F173 L178 S179 C263 | E172-N176 WeakPolarHBondContact O-CB 3.48Å; E172-N176 PolarHBondContact O-N 2.96Å; E172-N176 PolarHBondContact O-ND2 2.94Å; F173-N176 PolarHBondContact O-N 2.82Å; N176-L178 PolarHBondContact O-N 3.19Å; N176-S179 PolarHBondContact O-N 2.7Å; N176-S179 PolarHBondContact O-OG 3.43Å; N176-C263 WeakPolarHBondContact OD1-CB 3.42Å; N176-C263 PolarHBondContact OD1-SG 3.28Å |
| 177 | L | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 178.1 | -173.7 | 161.2 | 0 | 0 | 0 | 112 | L118 L121 F124 F173 F174 G175 | L118-L177 HydrophobicContact CD2-CD2 3.59Å; L121-L177 HydrophobicContact CD1-CD1 3.63Å; L121-L177 HydrophobicContact CD1-CD2 3.93Å; L121-L177 HydrophobicContact CD1-CG 3.84Å; F124-L177 HydrophobicContact CE2-CD1 4.02Å; F124-L177 HydrophobicContact CE2-CD2 4.1Å; F124-L177 HydrophobicContact CZ-CD1 4.47Å; F124-L177 HydrophobicContact CZ-CD2 4.1Å; F173-L177 HydrophobicContact CE1-CD1 4.02Å; F173-L177 HydrophobicContact CZ-CD1 4.21Å; F173-L177 WeakPolarHBondContact O-CB 3.34Å; F173-L177 PolarHBondContact O-N 3.32Å; F174-L177 HydrophobicContact CD1-CD1 4.47Å; F174-L177 PolarHBondContact O-N 2.89Å; G175-L177 VanDerWaalsContact C-N 3.35Å; G175-L177 PolarHBondContact O-N 2.81Å |
| 178 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -87 | -11.3 | -176.3 | -66.7 | 172.3 | 0 | 0 | 0 | 114 | F79 I81 L118 I161 F174 G175 N176 S180 Y181 L182 V256 M260 | F79-L178 HydrophobicContact CE1-CD2 4.28Å; I81-L178 HydrophobicContact CD1-CD1 4.04Å; L118-L178 HydrophobicContact CD2-CD2 4.02Å; I161-L178 HydrophobicContact CD1-CD1 4.08Å; I161-L178 HydrophobicContact CD1-CD2 4.17Å; F174-L178 WeakPolarHBondContact O-CB 3.37Å; F174-L178 WeakPolarHBondContact O-CG 3.15Å; F174-L178 PolarHBondContact O-N 2.93Å; G175-L178 PolarHBondContact O-N 2.93Å; N176-L178 PolarHBondContact O-N 3.19Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.83Å; L178-Y181 HydrophobicContact CD2-CD2 4.09Å; L178-Y181 HydrophobicContact CD2-CE2 4.43Å; L178-Y181 WeakPolarHBondContact O-CB 3.42Å; L178-Y181 PolarHBondContact O-N 2.94Å; L178-L182 PolarHBondContact O-N 3.02Å; L178-V256 HydrophobicContact CD1-CG1 4.19Å; L178-M260 HydrophobicContact CB-CE 3.62Å; L178-M260 HydrophobicContact CB-CG 4.1Å; L178-M260 HydrophobicContact CB-SD 3.86Å; L178-M260 HydrophobicContact CD1-CE 3.64Å; L178-M260 HydrophobicContact CG-CE 4.28Å |
| 179 | S | 98 | Very high | 97.8 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.2 | -36.4 | -174.9 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | G175 N176 Y181 L182 L183 | G175-S179 WeakPolarHBondContact O-CB 3.32Å; G175-S179 PolarHBondContact O-N 2.94Å; N176-S179 PolarHBondContact O-N 2.7Å; N176-S179 PolarHBondContact O-OG 3.43Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; S179-Y181 PolarHBondContact O-N 3.16Å; S179-L182 PolarHBondContact O-N 2.9Å; S179-L183 PolarHBondContact O-N 2.84Å |
| 180 | S | 96.8 | Very high | 97.9 | Very high | 72 Ų | 72 | 38.1 Ų | 38.1 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.6 | -35 | 177.5 | 55 | 0 | 0 | 0 | 0 | 112.4 | L178 L183 D184 | L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.83Å; S180-L183 PolarHBondContact O-N 3.5Å; S180-D184 PolarHBondContact O-N 3.41Å |
| 181 | Y | 98.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -35.6 | 174.6 | -63.2 | -78.3 | 0 | 0 | 0 | 111.3 | F79 V114 L118 L178 S179 L183 D184 N187 | F79-Y181 HydrophobicContact CE1-CD1 4.49Å; F79-Y181 HydrophobicContact CE1-CG 4.26Å; F79-Y181 HydrophobicContact CE2-CD1 4.14Å; F79-Y181 HydrophobicContact CE2-CG 4.19Å; F79-Y181 AromaticContact CZ-CD1 3.53Å; F79-Y181 HydrophobicContact CZ-CD1 3.53Å; F79-Y181 HydrophobicContact CZ-CD2 4.23Å; F79-Y181 HydrophobicContact CZ-CE1 4.15Å; F79-Y181 AromaticContact CZ-CG 3.56Å; F79-Y181 HydrophobicContact CZ-CG 3.56Å; V114-Y181 HydrophobicContact CG1-CE1 3.94Å; V114-Y181 HydrophobicContact CG2-CE1 4.06Å; L118-Y181 HydrophobicContact CD2-CE2 3.99Å; L178-Y181 HydrophobicContact CD2-CD2 4.09Å; L178-Y181 HydrophobicContact CD2-CE2 4.43Å; L178-Y181 WeakPolarHBondContact O-CB 3.42Å; L178-Y181 PolarHBondContact O-N 2.94Å; S179-Y181 VanDerWaalsContact C-N 3.33Å; S179-Y181 PolarHBondContact O-N 3.16Å; Y181-L183 PolarHBondContact O-N 2.91Å; Y181-D184 PolarHBondContact O-N 3.26Å; Y181-N187 VanDerWaalsContact O-CB 3.26Å; Y181-N187 WeakPolarHBondContact O-CB 3.39Å; Y181-N187 PolarHBondContact O-ND2 3.45Å |
| 182 | L | 97.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -22.7 | 174.4 | -177.4 | 62.4 | 0 | 0 | 0 | 112.7 | R47 L178 S179 F189 L257 M260 I261 I264 L300 | R47-L182 HydrophobicContact CB-CD1 4.2Å; R47-L182 PolarHBondContact NH2-O 3.27Å; L178-L182 PolarHBondContact O-N 3.02Å; S179-L182 PolarHBondContact O-N 2.9Å; L182-F189 HydrophobicContact CB-CD2 4.35Å; L182-F189 HydrophobicContact CB-CE2 3.94Å; L182-F189 HydrophobicContact CB-CZ 4.35Å; L182-F189 HydrophobicContact CD1-CD2 3.65Å; L182-F189 HydrophobicContact CD1-CE2 4.11Å; L182-F189 HydrophobicContact CD1-CG 4.23Å; L182-L257 HydrophobicContact CD2-CD1 4.06Å; L182-M260 HydrophobicContact CB-SD 4.14Å; L182-M260 HydrophobicContact CD2-CB 3.67Å; L182-M260 HydrophobicContact CD2-SD 4.14Å; L182-I261 HydrophobicContact CD2-CG1 3.85Å; L182-I264 HydrophobicContact CB-CD1 4.2Å; L182-I264 HydrophobicContact CD2-CD1 3.9Å; L182-I264 HydrophobicContact CG-CD1 4.08Å; L182-L300 HydrophobicContact CD1-CD2 4.3Å; L182-L300 HydrophobicContact CD2-CD2 4.32Å |
| 183 | L | 94.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 30.7 Ų | 30.7 | 35% | 0.351 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -79.3 | -27.5 | 176.7 | -76.7 | 173 | 0 | 0 | 0 | 114.1 | R47 S179 S180 Y181 E185 I264 | R47-L183 PolarHBondContact NH2-O 2.85Å; S179-L183 PolarHBondContact O-N 2.84Å; S180-L183 PolarHBondContact O-N 3.5Å; Y181-L183 PolarHBondContact O-N 2.91Å; L183-E185 PolarHBondContact O-N 3.42Å; L183-I264 HydrophobicContact CD1-CG1 4.03Å; L183-I264 HydrophobicContact CD2-CB 4.41Å; L183-I264 HydrophobicContact CD2-CD1 3.74Å; L183-I264 HydrophobicContact CD2-CG1 3.83Å; L183-I264 HydrophobicContact CD2-CG2 3.71Å; L183-I264 HydrophobicContact CG-CD1 3.73Å; L183-I264 HydrophobicContact CG-CG1 3.74Å |
| 184 | D | 95.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 27 Ų | 27 | 39% | 0.39 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -72.5 | 120.5 | 175.2 | -174.9 | -11.3 | 0 | 0 | 0 | 110.6 | R47 S180 Y181 K186 N187 | R47-D184 PolarHBondContact NH2-O 3.09Å; S180-D184 PolarHBondContact O-N 3.41Å; Y181-D184 PolarHBondContact O-N 3.26Å; D184-K186 PolarHBondContact O-N 3.39Å; D184-K186 WeakPolarHBondContact OD1-CB 3.31Å; D184-K186 PolarHBondContact OD1-N 2.88Å; D184-N187 WeakPolarHBondContact O-CB 3.28Å; D184-N187 PolarHBondContact O-N 2.94Å |
| 185 | E | 94.5 | Very high | 97.9 | Very high | 100 Ų | 100 | 27 Ų | 27 | 47% | 0.467 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.6 | -177.3 | -65.5 | -176.6 | 176 | 0 | 0 | 113.5 | L45 L183 N187 | L45-E185 HydrophobicContact CD1-CB 4.27Å; L45-E185 VanDerWaalsContact CD1-CD 3.48Å; L45-E185 HydrophobicContact CD1-CG 3.96Å; L45-E185 WeakPolarHBondContact CD1-OE2 3.45Å; L183-E185 PolarHBondContact O-N 3.42Å; E185-N187 PolarHBondContact O-N 3.2Å |
| 186 | K | 97 | Very high | 97.9 | Very high | 87 Ų | 87 | 27 Ų | 27 | 38% | 0.378 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11 | 173.4 | -62.8 | 166.4 | 166.4 | -134.4 | 0 | 112.7 | K74 I75 E76 C77 D184 | K74-K186 WeakPolarHBondContact O-CA 3.31Å; I75-K186 CarbonylContact C-O 3.49Å; I75-K186 WeakPolarHBondContact CA-O 3.21Å; E76-K186 HydrophobicContact CB-CB 4.2Å; E76-K186 VanDerWaalsContact CD-NZ 3.27Å; E76-K186 HydrophobicContact CG-CB 4.26Å; E76-K186 HydrophobicContact CG-CG 4.41Å; E76-K186 PolarHBondContact N-O 2.93Å; E76-K186 WeakPolarHBondContact OE1-CE 3.37Å; E76-K186 IonicContact OE1-NZ 3.89Å; E76-K186 PolarHBondContact OE1-NZ 3.47Å; E76-K186 WeakPolarHBondContact OE2-CD 3.46Å; E76-K186 IonicContact OE2-NZ 3.92Å; E76-K186 PolarHBondContact OE2-NZ 3.32Å; E76-K186 VanDerWaalsContact OE2-NZ 3.08Å; C77-K186 PolarHBondContact N-O 3.28Å; D184-K186 PolarHBondContact O-N 3.39Å; D184-K186 WeakPolarHBondContact OD1-CB 3.31Å; D184-K186 PolarHBondContact OD1-N 2.88Å |
| 187 | N | 98.2 | Very high | 97.9 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.8 | 179.3 | -61.2 | -23.6 | 0 | 0 | 0 | 111 | C77 F79 Y181 D184 E185 F189 | C77-N187 WeakPolarHBondContact CB-OD1 3.36Å; C77-N187 VanDerWaalsContact O-CA 3.3Å; C77-N187 WeakPolarHBondContact O-CA 3.27Å; F79-N187 HydrophobicContact CD2-CB 4.42Å; F79-N187 HydrophobicContact CE2-CB 4.23Å; Y181-N187 VanDerWaalsContact O-CB 3.26Å; Y181-N187 WeakPolarHBondContact O-CB 3.39Å; Y181-N187 PolarHBondContact O-ND2 3.45Å; D184-N187 WeakPolarHBondContact O-CB 3.28Å; D184-N187 PolarHBondContact O-N 2.94Å; E185-N187 PolarHBondContact O-N 3.2Å; N187-F189 HydrophobicContact CB-CE2 4.31Å |
| 188 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139 | 167.8 | 174.4 | 70.4 | 0 | 0 | 0 | 109.2 | V46 I70 I75 C77 I78 F79 V190 | V46-L188 HydrophobicContact CG1-CD1 4.03Å; I70-L188 HydrophobicContact CD1-CD2 3.55Å; I70-L188 HydrophobicContact CG1-CD2 3.96Å; I70-L188 HydrophobicContact CG2-CD2 4.18Å; I75-L188 HydrophobicContact CD1-CB 3.97Å; I75-L188 HydrophobicContact CD1-CD2 3.95Å; I75-L188 HydrophobicContact CD1-CG 4.43Å; I75-L188 HydrophobicContact CG1-CB 4.35Å; I75-L188 HydrophobicContact CG2-CB 4.19Å; C77-L188 PolarHBondContact O-N 3.4Å; I78-L188 CarbonylContact C-O 3.58Å; I78-L188 WeakPolarHBondContact CA-O 3.42Å; I78-L188 HydrophobicContact CG1-CB 4.32Å; I78-L188 HydrophobicContact CG2-CD2 4.35Å; F79-L188 PolarHBondContact N-O 3Å; L188-V190 HydrophobicContact CD2-CG2 4.36Å |
| 189 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.5 | 172.2 | -76.9 | -105.6 | 0 | 0 | 0 | 111.3 | R47 A48 I49 F79 I81 L182 N187 I191 M260 | R47-F189 PolarHBondContact O-N 2.9Å; A48-F189 CarbonylContact C-O 3.59Å; A48-F189 WeakPolarHBondContact CA-O 3.37Å; A48-F189 HydrophobicContact CB-CB 3.72Å; I49-F189 PolarHBondContact N-O 2.74Å; F79-F189 HydrophobicContact CB-CD1 3.57Å; F79-F189 HydrophobicContact CB-CD2 4.43Å; F79-F189 HydrophobicContact CB-CE1 3.57Å; F79-F189 HydrophobicContact CB-CE2 4.41Å; F79-F189 HydrophobicContact CB-CG 4.02Å; F79-F189 HydrophobicContact CB-CZ 4.01Å; F79-F189 AromaticContact CD1-CE1 4Å; F79-F189 HydrophobicContact CD1-CE1 4Å; F79-F189 HydrophobicContact CD1-CZ 4.09Å; F79-F189 HydrophobicContact CD2-CD2 4.37Å; F79-F189 HydrophobicContact CD2-CE1 4.11Å; F79-F189 AromaticContact CD2-CE2 3.78Å; F79-F189 HydrophobicContact CD2-CE2 3.78Å; F79-F189 AromaticContact CD2-CZ 3.64Å; F79-F189 HydrophobicContact CD2-CZ 3.64Å; F79-F189 HydrophobicContact CE1-CZ 4.48Å; F79-F189 HydrophobicContact CE2-CE2 4.3Å; F79-F189 HydrophobicContact CE2-CZ 4.09Å; F79-F189 HydrophobicContact CG-CD1 4.14Å; F79-F189 AromaticContact CG-CE1 3.63Å; F79-F189 HydrophobicContact CG-CE1 3.63Å; F79-F189 HydrophobicContact CG-CE2 4.17Å; F79-F189 AromaticContact CG-CZ 3.64Å; F79-F189 HydrophobicContact CG-CZ 3.64Å; F79-F189 HydrophobicContact CZ-CZ 4.48Å; F79-F189 CarbonylContact O-C 3.58Å; F79-F189 WeakPolarHBondContact O-CA 3.34Å; I81-F189 HydrophobicContact CD1-CD1 3.78Å; I81-F189 HydrophobicContact CD1-CE1 3.96Å; L182-F189 HydrophobicContact CB-CD2 4.35Å; L182-F189 HydrophobicContact CB-CE2 3.94Å; L182-F189 HydrophobicContact CB-CZ 4.35Å; L182-F189 HydrophobicContact CD1-CD2 3.65Å; L182-F189 HydrophobicContact CD1-CE2 4.11Å; L182-F189 HydrophobicContact CD1-CG 4.23Å; N187-F189 HydrophobicContact CB-CE2 4.31Å; F189-I191 HydrophobicContact CB-CD1 4.41Å; F189-M260 HydrophobicContact CD1-CE 3.94Å; F189-M260 HydrophobicContact CD1-SD 4.07Å; F189-M260 HydrophobicContact CE1-CE 3.66Å; F189-M260 HydrophobicContact CE1-SD 3.73Å; F189-M260 HydrophobicContact CZ-SD 4.18Å |
| 190 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 107.6 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | I49 V51 Y67 I78 F79 I80 I81 Q141 I145 L188 | I49-V190 HydrophobicContact CD1-CG1 4.2Å; I49-V190 HydrophobicContact CD1-CG2 4.03Å; I49-V190 HydrophobicContact CG1-CB 4.26Å; I49-V190 HydrophobicContact CG1-CG1 4.14Å; I49-V190 HydrophobicContact CG1-CG2 3.99Å; V51-V190 HydrophobicContact CG2-CG1 3.66Å; Y67-V190 WeakPolarHBondContact OH-CG1 3.23Å; I78-V190 HydrophobicContact CG2-CG2 3.81Å; F79-V190 PolarHBondContact O-N 3.25Å; I80-V190 WeakPolarHBondContact CA-O 3.41Å; I80-V190 HydrophobicContact CG2-CB 4.42Å; I80-V190 HydrophobicContact CG2-CG1 4.46Å; I81-V190 PolarHBondContact N-O 3.19Å; Q141-V190 HydrophobicContact CB-CG1 4.09Å; Q141-V190 HydrophobicContact CG-CG1 3.85Å; I145-V190 HydrophobicContact CD1-CG2 4.2Å; L188-V190 HydrophobicContact CD2-CG2 4.36Å |
| 191 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.4 | 177.7 | -51.7 | -52.5 | 0 | 0 | 0 | 108.5 | I49 I50 V51 I81 F189 I254 L257 | I49-I191 PolarHBondContact O-N 3.25Å; I50-I191 VanDerWaalsContact CA-O 3.31Å; I50-I191 WeakPolarHBondContact CA-O 3.46Å; I50-I191 HydrophobicContact CG1-CB 4.14Å; V51-I191 PolarHBondContact N-O 3.4Å; I81-I191 HydrophobicContact CB-CD1 3.86Å; I81-I191 HydrophobicContact CD1-CD1 4.03Å; I81-I191 HydrophobicContact CG1-CD1 4.16Å; F189-I191 HydrophobicContact CB-CD1 4.41Å; I191-I254 HydrophobicContact CG2-CG1 3.96Å; I191-L257 HydrophobicContact CD1-CB 4.17Å; I191-L257 HydrophobicContact CG1-CB 4.06Å; I191-L257 HydrophobicContact CG1-CD2 3.79Å; I191-L257 HydrophobicContact CG1-CG 4.33Å |
| 192 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 118.7 | -175.5 | 177.7 | 0 | 0 | 0 | 0 | 110.8 | V51 H53 I81 P83 S137 Q141 | V51-S192 WeakPolarHBondContact O-CA 3.32Å; H53-S192 WeakPolarHBondContact CB-OG 3.23Å; H53-S192 PolarHBondContact ND1-OG 3.36Å; I81-S192 PolarHBondContact O-N 3.4Å; P83-S192 WeakPolarHBondContact CD-O 3.31Å; S137-S192 WeakPolarHBondContact O-CB 3.44Å; S137-S192 PolarHBondContact O-OG 3.4Å; Q141-S192 PolarHBondContact NE2-OG 2.96Å |
| 193 | S | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -158.4 | 127.3 | -180 | -167.4 | 0 | 0 | 0 | 0 | 113.1 | V51 P52 I248 G250 | V51-S193 PolarHBondContact O-N 3Å; P52-S193 WeakPolarHBondContact CA-O 3.46Å; S193-I248 VanDerWaalsContact OG-CG2 3.31Å; S193-I248 WeakPolarHBondContact OG-CG2 3.4Å; S193-G250 VanDerWaalsContact OG-CA 3.23Å; S193-G250 WeakPolarHBondContact OG-CA 3.33Å; S193-G250 PolarHBondContact OG-N 2.92Å | ||
| 194 | D | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | trans | -85.6 | 155.7 | 155.3 | -67.9 | -11.3 | 0 | 0 | 0 | 109.6 | P52 H53 A54 I248 C249 V293 Y295 | P52-D194 VanDerWaalsContact CA-OD1 3.29Å; P52-D194 WeakPolarHBondContact CA-OD1 3.15Å; P52-D194 WeakPolarHBondContact CB-OD1 3.48Å; H53-D194 VanDerWaalsContact CD2-CG 3.41Å; H53-D194 IonicContact CD2-OD1 2.69Å; H53-D194 IonicContact CD2-OD2 3.08Å; H53-D194 PolarHBondContact CD2-OD2 3Å; H53-D194 VanDerWaalsContact CD2-OD2 3.27Å; H53-D194 PolarHBondContact N-OD1 3.49Å; H53-D194 IonicContact NE2-OD2 3.3Å; A54-D194 WeakPolarHBondContact CB-OD2 3.45Å; A54-D194 PolarHBondContact N-OD1 3.46Å; A54-D194 PolarHBondContact N-OD2 2.95Å; D194-I248 WeakPolarHBondContact O-CG2 3.36Å; D194-C249 PolarHBondContact N-SG 2.94Å; D194-C249 VanDerWaalsContact N-SG 3.41Å; D194-C249 PolarHBondContact O-N 2.97Å; D194-V293 HydrophobicContact CB-CG1 3.91Å; D194-Y295 HydrophobicContact CB-CD1 4.44Å | ||
| 195 | F | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -95.2 | -125.8 | -175.7 | -88.4 | -115.7 | 0 | 0 | 0 | 111.1 | H197 D222 L226 I229 I248 S294 A296 | F195-H197 PolarHBondContact O-CD2 2.69Å; F195-H197 VanDerWaalsContact O-CD2 3.27Å; F195-H197 PolarHBondContact O-N 2.92Å; F195-D222 HydrophobicContact CD1-CB 4.14Å; F195-L226 HydrophobicContact CE1-CD2 3.57Å; F195-L226 HydrophobicContact CE1-CG 3.66Å; F195-L226 HydrophobicContact CE2-CD2 4.31Å; F195-L226 HydrophobicContact CZ-CD2 3.37Å; F195-L226 HydrophobicContact CZ-CG 4.03Å; F195-I229 HydrophobicContact CE1-CD1 4.3Å; F195-I229 HydrophobicContact CZ-CD1 3.95Å; F195-I248 HydrophobicContact CD1-CD1 3.9Å; F195-I248 HydrophobicContact CD1-CG1 4.29Å; F195-I248 HydrophobicContact CE1-CD1 4.07Å; F195-I248 HydrophobicContact CG-CG1 4.47Å; F195-I248 WeakPolarHBondContact O-CA 3.38Å; F195-S294 WeakPolarHBondContact CB-OG 3.45Å; F195-S294 PolarHBondContact N-O 2.7Å; F195-A296 HydrophobicContact CD2-CB 3.95Å; F195-A296 HydrophobicContact CE2-CB 3.74Å; F195-A296 HydrophobicContact CG-CB 4.47Å; F195-A296 HydrophobicContact CZ-CB 4.08Å | ||
| 196 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -69.1 | 116.6 | -175.7 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | W198 Y204 I218 D222 N246 V293 S294 | C196-W198 PolarHBondContact O-N 2.82Å; C196-Y204 VanDerWaalsContact SG-CE1 3.58Å; C196-I218 HydrophobicContact CB-CG2 3.9Å; C196-D222 WeakPolarHBondContact CB-OD1 3.37Å; C196-N246 VanDerWaalsContact CA-OD1 3.31Å; C196-N246 WeakPolarHBondContact CA-OD1 3.39Å; C196-N246 VanDerWaalsContact CB-OD1 3.27Å; C196-N246 WeakPolarHBondContact CB-OD1 3.37Å; C196-N246 PolarHBondContact SG-OD1 3.19Å; C196-V293 CarbonylContact O-C 3.57Å; C196-V293 VanDerWaalsContact O-CA 3.25Å; C196-V293 WeakPolarHBondContact O-CA 3.41Å; C196-S294 WeakPolarHBondContact CB-OG 3.32Å; C196-S294 PolarHBondContact N-OG 2.86Å; C196-S294 PolarHBondContact O-N 3.16Å | ||
| 197 | H | 98.4 | Very high | 98.3 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 15% | 0.148 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 95.6 | 161.2 | -65.5 | -112.2 | 0 | 0 | 0 | 107.9 | F195 F202 T247 | F195-H197 PolarHBondContact O-CD2 2.69Å; F195-H197 VanDerWaalsContact O-CD2 3.27Å; F195-H197 PolarHBondContact O-N 2.92Å; H197-F202 VanDerWaalsContact C-CD2 3.45Å; H197-F202 HydrophobicContact CB-CB 4.04Å; H197-F202 HydrophobicContact CB-CD1 3.76Å; H197-F202 HydrophobicContact CB-CD2 3.77Å; H197-F202 HydrophobicContact CB-CE1 4.05Å; H197-F202 HydrophobicContact CB-CE2 4.04Å; H197-F202 HydrophobicContact CB-CG 3.6Å; H197-F202 HydrophobicContact CB-CZ 4.16Å; H197-F202 AromaticContact ND1-CE1 3.65Å; H197-F202 AromaticContact ND1-CZ 3.85Å; H197-F202 VanDerWaalsContact O-CB 3.28Å; H197-F202 WeakPolarHBondContact O-CB 3.36Å; H197-T247 WeakPolarHBondContact CA-OG1 3.25Å; H197-T247 PolarHBondContact CD2-O 3.3Å; H197-T247 PolarHBondContact N-OG1 3.22Å; H197-T247 PolarHBondContact O-OG1 2.96Å |
| 198 | W | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 137.8 | -174.8 | -168.6 | 101.1 | 0 | 0 | 0 | 112.2 | C196 F202 Q205 Y206 I214 I218 C285 M288 D290 S291 S292 | C196-W198 PolarHBondContact O-N 2.82Å; W198-F202 WeakPolarHBondContact O-CD2 3.14Å; W198-Q205 HydrophobicContact CZ2-CB 3.91Å; W198-Q205 HydrophobicContact CZ2-CG 4.28Å; W198-Y206 PolarHBondContact NE1-O 3.21Å; W198-I214 HydrophobicContact CD2-CG2 4.24Å; W198-I214 HydrophobicContact CE3-CG2 4.36Å; W198-I214 HydrophobicContact CH2-CD1 4.02Å; W198-I214 HydrophobicContact CH2-CG2 3.53Å; W198-I214 HydrophobicContact CZ2-CD1 4.41Å; W198-I214 HydrophobicContact CZ2-CG2 3.34Å; W198-I214 HydrophobicContact CZ3-CG2 4.03Å; W198-I218 HydrophobicContact CB-CD1 3.68Å; W198-I218 HydrophobicContact CB-CG1 4.25Å; W198-I218 HydrophobicContact CD2-CD1 3.65Å; W198-I218 HydrophobicContact CD2-CG1 4.39Å; W198-I218 HydrophobicContact CE3-CD1 4.24Å; W198-I218 HydrophobicContact CG-CD1 3.36Å; W198-I218 HydrophobicContact CG-CG1 3.82Å; W198-C285 HydrophobicContact CE3-CB 4.31Å; W198-C285 HydrophobicContact CZ3-CB 4.09Å; W198-M288 HydrophobicContact CH2-CE 4.41Å; W198-M288 HydrophobicContact CH2-SD 3.87Å; W198-M288 HydrophobicContact CZ2-CE 4.23Å; W198-M288 HydrophobicContact CZ2-SD 3.9Å; W198-D290 VanDerWaalsContact CZ3-O 3.3Å; W198-D290 WeakPolarHBondContact CZ3-O 3.27Å; W198-S291 CarbonylContact O-C 3.55Å; W198-S291 WeakPolarHBondContact O-CA 3.43Å; W198-S291 VanDerWaalsContact O-CB 3.29Å; W198-S291 WeakPolarHBondContact O-CB 3.35Å; W198-S292 PolarHBondContact N-O 3.5Å; W198-S292 PolarHBondContact O-N 2.96Å |
| 199 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | 131.4 | 164.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R201 F202 R203 Y204 | G199-R201 PolarHBondContact O-N 3.15Å; G199-R201 VanDerWaalsContact O-N 3.16Å; G199-F202 PolarHBondContact O-N 3.31Å; G199-R203 PolarHBondContact O-N 3.16Å; G199-Y204 PolarHBondContact N-O 3.39Å |
| 200 | K | 97.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 54.9 Ų | 54.9 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -52.3 | -40.4 | -179.7 | -68.3 | -177.6 | -174.8 | 171.7 | 0 | 112.8 | F202 R203 Q205 E289 | K200-F202 PolarHBondContact O-N 2.99Å; K200-R203 PolarHBondContact O-N 3.35Å; K200-Q205 VanDerWaalsContact CG-OE1 3.27Å; K200-E289 IonicContact NZ-OE1 2.65Å; K200-E289 PolarHBondContact NZ-OE1 3.05Å; K200-E289 IonicContact NZ-OE2 2.62Å; K200-E289 PolarHBondContact NZ-OE2 2.99Å |
| 201 | R | 96.9 | Very high | 98.1 | Very high | 165 Ų | 165 | 56.1 Ų | 56.1 | 62% | 0.623 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -61.5 | -23.1 | 179.5 | 68.9 | 175.2 | 175.7 | 140.6 | -0.9 | 114.2 | G199 S291 | G199-R201 PolarHBondContact O-N 3.15Å; G199-R201 VanDerWaalsContact O-N 3.16Å; R201-S291 PolarHBondContact NE-OG 3.41Å; R201-S291 PolarHBondContact NH2-OG 3.4Å |
| 202 | F | 97.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 25% | 0.25 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -100.3 | -0.2 | 176 | -56.9 | -62.7 | 0 | 0 | 0 | 112.7 | H197 W198 G199 K200 Y204 V293 | H197-F202 VanDerWaalsContact C-CD2 3.45Å; H197-F202 HydrophobicContact CB-CB 4.04Å; H197-F202 HydrophobicContact CB-CD1 3.76Å; H197-F202 HydrophobicContact CB-CD2 3.77Å; H197-F202 HydrophobicContact CB-CE1 4.05Å; H197-F202 HydrophobicContact CB-CE2 4.04Å; H197-F202 HydrophobicContact CB-CG 3.6Å; H197-F202 HydrophobicContact CB-CZ 4.16Å; H197-F202 AromaticContact ND1-CE1 3.65Å; H197-F202 AromaticContact ND1-CZ 3.85Å; H197-F202 VanDerWaalsContact O-CB 3.28Å; H197-F202 WeakPolarHBondContact O-CB 3.36Å; W198-F202 WeakPolarHBondContact O-CD2 3.14Å; G199-F202 PolarHBondContact O-N 3.31Å; K200-F202 PolarHBondContact O-N 2.99Å; F202-Y204 PolarHBondContact O-N 2.87Å; F202-V293 HydrophobicContact CE2-CG2 4.12Å; F202-V293 HydrophobicContact CZ-CG2 3.86Å |
| 203 | R | 97.7 | Very high | 98 | Very high | 239 Ų | 239 | 58.7 Ų | 58.7 | 90% | 0.902 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 34.7 | -174.8 | -57.3 | 179.3 | -67.2 | -138.6 | -1.3 | 112.5 | G199 K200 | G199-R203 PolarHBondContact O-N 3.16Å; K200-R203 PolarHBondContact O-N 3.35Å |
| 204 | Y | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 59 Ų | 59 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -142.9 | 114.9 | 179.1 | -171 | -99.4 | 0 | 0 | 0 | 109.6 | C196 G199 F202 Y206 L221 Y244 S245 N246 T247 | C196-Y204 VanDerWaalsContact SG-CE1 3.58Å; G199-Y204 PolarHBondContact N-O 3.39Å; F202-Y204 PolarHBondContact O-N 2.87Å; Y204-Y206 WeakPolarHBondContact OH-CB 3.45Å; Y204-L221 HydrophobicContact CE1-CD2 4Å; Y204-L221 WeakPolarHBondContact OH-CD2 3.31Å; Y204-Y244 WeakPolarHBondContact CE2-O 3.29Å; Y204-Y244 PolarHBondContact OH-O 3.37Å; Y204-S245 WeakPolarHBondContact CE2-O 3.25Å; Y204-N246 WeakPolarHBondContact OH-CA 3.38Å; Y204-T247 HydrophobicContact CD1-CG2 4.12Å; Y204-T247 HydrophobicContact CD2-CG2 3.89Å; Y204-T247 HydrophobicContact CG-CG2 3.58Å |
| 205 | Q | 98 | Very high | 98 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | trans | -136.4 | 46.6 | -178.4 | -60.1 | -166.2 | -79.3 | 0 | 0 | 110.9 | W198 K200 Y207 M288 | W198-Q205 HydrophobicContact CZ2-CB 3.91Å; W198-Q205 HydrophobicContact CZ2-CG 4.28Å; K200-Q205 VanDerWaalsContact CG-OE1 3.27Å; Q205-Y207 PolarHBondContact O-N 3Å; Q205-Y207 VanDerWaalsContact O-N 3.16Å; Q205-M288 HydrophobicContact CB-CE 3.82Å; Q205-M288 HydrophobicContact CG-CE 4.42Å; Q205-M288 PolarHBondContact NE2-O 3.03Å | ||
| 206 | Y | 97.9 | Very high | 98 | Very high | 67 Ų | 67 | 64.8 Ų | 64.8 | 26% | 0.263 | 30% | 0.298 | S | S | . | . | trans | -53.4 | 123.8 | 173.1 | 177.7 | -88.7 | 0 | 0 | 0 | 109.4 | W198 Y204 N208 L221 Y244 | W198-Y206 PolarHBondContact NE1-O 3.21Å; Y204-Y206 WeakPolarHBondContact OH-CB 3.45Å; Y206-N208 HydrophobicContact CE1-CB 4.29Å; Y206-L221 HydrophobicContact CD1-CB 4.24Å; Y206-L221 HydrophobicContact CD1-CD1 4.48Å; Y206-L221 HydrophobicContact CD1-CD2 3.79Å; Y206-L221 HydrophobicContact CD1-CG 4.38Å; Y206-L221 HydrophobicContact CE1-CB 4.18Å; Y206-L221 HydrophobicContact CE1-CD1 4.41Å; Y206-L221 HydrophobicContact CE1-CD2 4.44Å; Y206-L221 HydrophobicContact CG-CD2 4.09Å; Y206-Y244 HydrophobicContact CD2-CD1 4.38Å; Y206-Y244 AromaticContact CE2-CD1 3.69Å; Y206-Y244 HydrophobicContact CE2-CD1 3.69Å; Y206-Y244 HydrophobicContact CE2-CE1 4.08Å; Y206-Y244 AromaticContact CZ-CD1 3.87Å; Y206-Y244 AromaticContact CZ-CE1 3.94Å | ||
| 207 | Y | 98.3 | Very high | 98 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | trans | -148.1 | 114.7 | 175.9 | 176.8 | -144.5 | 0 | 0 | 0 | 110 | Q205 K209 G212 I214 M288 | Q205-Y207 PolarHBondContact O-N 3Å; Q205-Y207 VanDerWaalsContact O-N 3.16Å; Y207-K209 HydrophobicContact CD1-CG 4.16Å; Y207-K209 HydrophobicContact CE1-CG 3.56Å; Y207-K209 HydrophobicContact CE2-CG 4.47Å; Y207-G212 VanDerWaalsContact CE2-O 3.29Å; Y207-G212 WeakPolarHBondContact CE2-O 3.33Å; Y207-G212 PolarHBondContact OH-O 3.44Å; Y207-I214 HydrophobicContact CD1-CG1 4.09Å; Y207-I214 HydrophobicContact CD2-CG1 4.14Å; Y207-I214 HydrophobicContact CE1-CG1 4.02Å; Y207-I214 HydrophobicContact CE2-CG1 4.11Å; Y207-I214 HydrophobicContact CG-CG1 4.16Å; Y207-M288 HydrophobicContact CD1-SD 4.39Å | ||
| 208 | N | 97.8 | Very high | 98 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | trans | -100.6 | 109.5 | 168.5 | 177.9 | 14.7 | 0 | 0 | 0 | 109.8 | Y206 S210 D211 S217 | Y206-N208 HydrophobicContact CE1-CB 4.29Å; N208-S210 PolarHBondContact ND2-OG 2.96Å; N208-S210 PolarHBondContact O-N 3.4Å; N208-S210 PolarHBondContact OD1-N 3.4Å; N208-S210 PolarHBondContact OD1-OG 2.98Å; N208-S210 VanDerWaalsContact OD1-OG 3.05Å; N208-D211 VanDerWaalsContact CB-OD2 3.29Å; N208-D211 WeakPolarHBondContact CB-OD2 3.44Å; N208-D211 VanDerWaalsContact ND2-CG 3.35Å; N208-D211 PolarHBondContact ND2-OD1 2.91Å; N208-D211 PolarHBondContact ND2-OD2 3.45Å; N208-D211 WeakPolarHBondContact O-CB 3.32Å; N208-D211 PolarHBondContact O-N 2.64Å; N208-S217 PolarHBondContact N-OG 3.25Å | ||
| 209 | K | 97.1 | Very high | 98.1 | Very high | 164 Ų | 164 | 66.4 Ų | 66.4 | 71% | 0.713 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.5 | -178.7 | -69.5 | -179.1 | 179.1 | -178.7 | 0 | 113.7 | Y207 D211 G212 | Y207-K209 HydrophobicContact CD1-CG 4.16Å; Y207-K209 HydrophobicContact CE1-CG 3.56Å; Y207-K209 HydrophobicContact CE2-CG 4.47Å; K209-D211 PolarHBondContact O-N 3.15Å; K209-G212 PolarHBondContact O-N 2.91Å |
| 210 | S | 98.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 71.2 Ų | 71.2 | 69% | 0.685 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -69.3 | -12.9 | 178.5 | 75 | 0 | 0 | 0 | 0 | 113 | N208 | N208-S210 PolarHBondContact ND2-OG 2.96Å; N208-S210 PolarHBondContact O-N 3.4Å; N208-S210 PolarHBondContact OD1-N 3.4Å; N208-S210 PolarHBondContact OD1-OG 2.98Å; N208-S210 VanDerWaalsContact OD1-OG 3.05Å |
| 211 | D | 97.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -92.5 | 1.8 | 179.8 | -57.9 | -31.8 | 0 | 0 | 0 | 112.7 | N208 K209 Q216 K220 | N208-D211 VanDerWaalsContact CB-OD2 3.29Å; N208-D211 WeakPolarHBondContact CB-OD2 3.44Å; N208-D211 VanDerWaalsContact ND2-CG 3.35Å; N208-D211 PolarHBondContact ND2-OD1 2.91Å; N208-D211 PolarHBondContact ND2-OD2 3.45Å; N208-D211 WeakPolarHBondContact O-CB 3.32Å; N208-D211 PolarHBondContact O-N 2.64Å; K209-D211 PolarHBondContact O-N 3.15Å; D211-Q216 VanDerWaalsContact O-CB 3.27Å; D211-Q216 WeakPolarHBondContact O-CB 3.4Å; D211-K220 HydrophobicContact CB-CD 4.05Å; D211-K220 VanDerWaalsContact OD1-CD 3.27Å; D211-K220 WeakPolarHBondContact OD1-CD 3.39Å; D211-K220 IonicContact OD1-NZ 2.8Å; D211-K220 PolarHBondContact OD1-NZ 2.5Å; D211-K220 WeakPolarHBondContact OD2-CD 3.25Å |
| 212 | G | 98.1 | Very high | 98.2 | Very high | 31 Ų | 31 | 58.4 Ų | 58.4 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | trans | 102.2 | -140.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y207 K209 | Y207-G212 VanDerWaalsContact CE2-O 3.29Å; Y207-G212 WeakPolarHBondContact CE2-O 3.33Å; Y207-G212 PolarHBondContact OH-O 3.44Å; K209-G212 PolarHBondContact O-N 2.91Å | ||
| 213 | A | 98.2 | Very high | 98.3 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -64.8 | 162.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W215 Q216 S217 | A213-W215 VanDerWaalsContact C-N 3.31Å; A213-W215 PolarHBondContact O-N 3.35Å; A213-Q216 HydrophobicContact CB-CG 4.37Å; A213-Q216 WeakPolarHBondContact O-CB 3.38Å; A213-Q216 PolarHBondContact O-N 2.93Å; A213-S217 PolarHBondContact O-N 3.08Å; A213-S217 VanDerWaalsContact O-N 3.09Å |
| 214 | I | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.1 | -47.6 | -176.2 | -64.2 | 173 | 0 | 0 | 0 | 111.1 | W198 Y207 Q216 S217 I218 C285 S287 M288 | W198-I214 HydrophobicContact CD2-CG2 4.24Å; W198-I214 HydrophobicContact CE3-CG2 4.36Å; W198-I214 HydrophobicContact CH2-CD1 4.02Å; W198-I214 HydrophobicContact CH2-CG2 3.53Å; W198-I214 HydrophobicContact CZ2-CD1 4.41Å; W198-I214 HydrophobicContact CZ2-CG2 3.34Å; W198-I214 HydrophobicContact CZ3-CG2 4.03Å; Y207-I214 HydrophobicContact CD1-CG1 4.09Å; Y207-I214 HydrophobicContact CD2-CG1 4.14Å; Y207-I214 HydrophobicContact CE1-CG1 4.02Å; Y207-I214 HydrophobicContact CE2-CG1 4.11Å; Y207-I214 HydrophobicContact CG-CG1 4.16Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 3.38Å; I214-S217 WeakPolarHBondContact O-CB 3.2Å; I214-S217 PolarHBondContact O-N 3.35Å; I214-S217 VanDerWaalsContact O-N 3.11Å; I214-I218 HydrophobicContact CG2-CD1 3.9Å; I214-I218 HydrophobicContact CG2-CG1 4.44Å; I214-I218 WeakPolarHBondContact O-CG1 3.38Å; I214-I218 PolarHBondContact O-N 3.12Å; I214-C285 HydrophobicContact CB-CB 4.13Å; I214-C285 WeakPolarHBondContact CB-O 3.29Å; I214-C285 HydrophobicContact CG2-CB 3.68Å; I214-S287 VanDerWaalsContact CD1-C 3.42Å; I214-M288 HydrophobicContact CD1-CG 4.26Å; I214-M288 HydrophobicContact CD1-SD 3.73Å |
| 215 | W | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 49 Ų | 49 | 20% | 0.197 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -34.8 | 178.5 | 71.7 | -93.8 | 0 | 0 | 0 | 113.8 | A213 I218 E219 Q281 H284 C285 | A213-W215 VanDerWaalsContact C-N 3.31Å; A213-W215 PolarHBondContact O-N 3.35Å; W215-I218 PolarHBondContact O-N 3.44Å; W215-E219 VanDerWaalsContact CZ3-OE2 3.3Å; W215-E219 WeakPolarHBondContact CZ3-OE2 3.18Å; W215-E219 WeakPolarHBondContact O-CB 3.33Å; W215-E219 PolarHBondContact O-N 3.17Å; W215-Q281 PolarHBondContact O-NE2 3.3Å; W215-H284 HydrophobicContact CB-CB 3.84Å; W215-H284 HydrophobicContact CD2-CB 4.15Å; W215-H284 AromaticContact CD2-CG 3.9Å; W215-H284 AromaticContact CD2-ND1 3.96Å; W215-H284 HydrophobicContact CG-CB 3.68Å; W215-H284 AromaticContact CG-CG 3.93Å; W215-C285 PolarHBondContact N-O 3.07Å; W215-C285 VanDerWaalsContact N-O 3.15Å |
| 216 | Q | 98.7 | Very high | 98.4 | Very high | 76 Ų | 76 | 46.1 Ų | 46.1 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 176.8 | -59.8 | 177.8 | -69.7 | 0 | 0 | 111.4 | D211 A213 I214 E219 K220 | D211-Q216 VanDerWaalsContact O-CB 3.27Å; D211-Q216 WeakPolarHBondContact O-CB 3.4Å; A213-Q216 HydrophobicContact CB-CG 4.37Å; A213-Q216 WeakPolarHBondContact O-CB 3.38Å; A213-Q216 PolarHBondContact O-N 2.93Å; I214-Q216 VanDerWaalsContact C-N 3.27Å; I214-Q216 PolarHBondContact O-N 3.38Å; Q216-E219 PolarHBondContact O-N 3.33Å; Q216-K220 WeakPolarHBondContact O-CB 3.49Å; Q216-K220 PolarHBondContact O-N 3.46Å |
| 217 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | 173.7 | -173 | 0 | 0 | 0 | 0 | 111.9 | N208 A213 I214 K220 L221 | N208-S217 PolarHBondContact N-OG 3.25Å; A213-S217 PolarHBondContact O-N 3.08Å; A213-S217 VanDerWaalsContact O-N 3.09Å; I214-S217 WeakPolarHBondContact O-CB 3.2Å; I214-S217 PolarHBondContact O-N 3.35Å; I214-S217 VanDerWaalsContact O-N 3.11Å; S217-K220 PolarHBondContact O-N 3.08Å; S217-L221 WeakPolarHBondContact O-CB 3.38Å; S217-L221 PolarHBondContact O-N 3.17Å |
| 218 | I | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 173.6 | -62 | 164.9 | 0 | 0 | 0 | 110.5 | C196 W198 I214 W215 K220 L221 D222 | C196-I218 HydrophobicContact CB-CG2 3.9Å; W198-I218 HydrophobicContact CB-CD1 3.68Å; W198-I218 HydrophobicContact CB-CG1 4.25Å; W198-I218 HydrophobicContact CD2-CD1 3.65Å; W198-I218 HydrophobicContact CD2-CG1 4.39Å; W198-I218 HydrophobicContact CE3-CD1 4.24Å; W198-I218 HydrophobicContact CG-CD1 3.36Å; W198-I218 HydrophobicContact CG-CG1 3.82Å; I214-I218 HydrophobicContact CG2-CD1 3.9Å; I214-I218 HydrophobicContact CG2-CG1 4.44Å; I214-I218 WeakPolarHBondContact O-CG1 3.38Å; I214-I218 PolarHBondContact O-N 3.12Å; W215-I218 PolarHBondContact O-N 3.44Å; I218-K220 PolarHBondContact O-N 3.01Å; I218-L221 WeakPolarHBondContact O-CB 3.43Å; I218-L221 PolarHBondContact O-N 3.47Å; I218-D222 PolarHBondContact O-N 2.93Å |
| 219 | E | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 177.8 | 174.9 | 171.2 | -151.9 | 0 | 0 | 111.7 | W215 Q216 L221 D222 H223 Y279 | W215-E219 VanDerWaalsContact CZ3-OE2 3.3Å; W215-E219 WeakPolarHBondContact CZ3-OE2 3.18Å; W215-E219 WeakPolarHBondContact O-CB 3.33Å; W215-E219 PolarHBondContact O-N 3.17Å; Q216-E219 PolarHBondContact O-N 3.33Å; E219-L221 PolarHBondContact O-N 2.75Å; E219-D222 PolarHBondContact O-N 3.5Å; E219-H223 WeakPolarHBondContact O-CB 3.41Å; E219-H223 PolarHBondContact O-CD2 3.18Å; E219-H223 VanDerWaalsContact O-CD2 3.24Å; E219-H223 PolarHBondContact O-N 3.02Å; E219-H223 IonicContact OE1-NE2 2.72Å; E219-Y279 WeakPolarHBondContact CA-OH 3.45Å; E219-Y279 HydrophobicContact CB-CE1 3.77Å; E219-Y279 HydrophobicContact CG-CD1 4.01Å; E219-Y279 HydrophobicContact CG-CE1 3.61Å |
| 220 | K | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 39 Ų | 39 | 44% | 0.443 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.6 | -170.1 | -178.9 | 179.3 | 175.7 | 0 | 111.9 | D211 Q216 S217 I218 D222 H223 L224 | D211-K220 HydrophobicContact CB-CD 4.05Å; D211-K220 VanDerWaalsContact OD1-CD 3.27Å; D211-K220 WeakPolarHBondContact OD1-CD 3.39Å; D211-K220 IonicContact OD1-NZ 2.8Å; D211-K220 PolarHBondContact OD1-NZ 2.5Å; D211-K220 WeakPolarHBondContact OD2-CD 3.25Å; Q216-K220 WeakPolarHBondContact O-CB 3.49Å; Q216-K220 PolarHBondContact O-N 3.46Å; S217-K220 PolarHBondContact O-N 3.08Å; I218-K220 PolarHBondContact O-N 3.01Å; K220-D222 PolarHBondContact O-N 2.9Å; K220-H223 PolarHBondContact O-N 3.46Å; K220-L224 WeakPolarHBondContact O-CG 3.45Å; K220-L224 PolarHBondContact O-N 3.27Å |
| 221 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -50.1 | 175.2 | 169.6 | 67.4 | 0 | 0 | 0 | 111 | Y204 Y206 S217 I218 E219 H223 L224 G225 Y240 Y244 N246 | Y204-L221 HydrophobicContact CE1-CD2 4Å; Y204-L221 WeakPolarHBondContact OH-CD2 3.31Å; Y206-L221 HydrophobicContact CD1-CB 4.24Å; Y206-L221 HydrophobicContact CD1-CD1 4.48Å; Y206-L221 HydrophobicContact CD1-CD2 3.79Å; Y206-L221 HydrophobicContact CD1-CG 4.38Å; Y206-L221 HydrophobicContact CE1-CB 4.18Å; Y206-L221 HydrophobicContact CE1-CD1 4.41Å; Y206-L221 HydrophobicContact CE1-CD2 4.44Å; Y206-L221 HydrophobicContact CG-CD2 4.09Å; S217-L221 WeakPolarHBondContact O-CB 3.38Å; S217-L221 PolarHBondContact O-N 3.17Å; I218-L221 WeakPolarHBondContact O-CB 3.43Å; I218-L221 PolarHBondContact O-N 3.47Å; E219-L221 PolarHBondContact O-N 2.75Å; L221-H223 VanDerWaalsContact C-N 3.34Å; L221-H223 PolarHBondContact O-N 2.89Å; L221-L224 WeakPolarHBondContact O-CB 3.37Å; L221-L224 PolarHBondContact O-N 2.82Å; L221-G225 PolarHBondContact O-N 3.45Å; L221-Y240 HydrophobicContact CD1-CE2 3.95Å; L221-Y240 WeakPolarHBondContact O-CE2 3.36Å; L221-Y240 PolarHBondContact O-OH 2.95Å; L221-Y244 VanDerWaalsContact CD1-CB 3.49Å; L221-Y244 HydrophobicContact CD1-CD1 3.47Å; L221-Y244 VanDerWaalsContact CD1-CD1 3.47Å; L221-Y244 HydrophobicContact CD1-CD2 4.16Å; L221-Y244 HydrophobicContact CD1-CE1 4.28Å; L221-Y244 HydrophobicContact CD1-CG 3.42Å; L221-Y244 VanDerWaalsContact CD1-CG 3.42Å; L221-N246 HydrophobicContact CD2-CB 4.28Å |
| 222 | D | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 179.1 | -72.6 | -34.6 | 0 | 0 | 0 | 112.1 | F195 C196 I218 E219 K220 L224 G225 L226 N246 Y279 S294 | F195-D222 HydrophobicContact CD1-CB 4.14Å; C196-D222 WeakPolarHBondContact CB-OD1 3.37Å; I218-D222 PolarHBondContact O-N 2.93Å; E219-D222 PolarHBondContact O-N 3.5Å; K220-D222 PolarHBondContact O-N 2.9Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 3.11Å; D222-G225 CarbonylContact O-C 3.56Å; D222-G225 WeakPolarHBondContact O-CA 3.43Å; D222-G225 PolarHBondContact O-N 3.39Å; D222-G225 VanDerWaalsContact O-N 3.11Å; D222-L226 WeakPolarHBondContact O-CG 3.16Å; D222-L226 PolarHBondContact O-N 3.48Å; D222-N246 PolarHBondContact OD1-ND2 2.79Å; D222-Y279 HydrophobicContact CB-CD2 4.4Å; D222-Y279 HydrophobicContact CB-CE2 3.47Å; D222-Y279 VanDerWaalsContact CB-CE2 3.47Å; D222-Y279 WeakPolarHBondContact OD2-CE2 3.27Å; D222-Y279 PolarHBondContact OD2-OH 2.72Å; D222-S294 WeakPolarHBondContact OD2-CB 3.37Å; D222-S294 PolarHBondContact OD2-OG 2.65Å |
| 223 | H | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 27% | 0.269 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -30.7 | 174.5 | -85.4 | -63.4 | 0 | 0 | 0 | 113.3 | E219 K220 L221 G225 N227 | E219-H223 WeakPolarHBondContact O-CB 3.41Å; E219-H223 PolarHBondContact O-CD2 3.18Å; E219-H223 VanDerWaalsContact O-CD2 3.24Å; E219-H223 PolarHBondContact O-N 3.02Å; E219-H223 IonicContact OE1-NE2 2.72Å; K220-H223 PolarHBondContact O-N 3.46Å; L221-H223 VanDerWaalsContact C-N 3.34Å; L221-H223 PolarHBondContact O-N 2.89Å; H223-G225 VanDerWaalsContact C-N 3.35Å; H223-N227 VanDerWaalsContact O-CB 3.24Å; H223-N227 WeakPolarHBondContact O-CB 3.37Å; H223-N227 PolarHBondContact O-N 2.8Å; H223-N227 PolarHBondContact O-ND2 2.93Å |
| 224 | L | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.356 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | 169.1 | -68.1 | 170.7 | 0 | 0 | 0 | 110.6 | K220 L221 D222 N227 A228 Y240 Y244 | K220-L224 WeakPolarHBondContact O-CG 3.45Å; K220-L224 PolarHBondContact O-N 3.27Å; L221-L224 WeakPolarHBondContact O-CB 3.37Å; L221-L224 PolarHBondContact O-N 2.82Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-L224 PolarHBondContact O-N 3.11Å; L224-N227 PolarHBondContact O-N 3.48Å; L224-A228 PolarHBondContact O-N 3.27Å; L224-Y240 HydrophobicContact CB-CD2 4.1Å; L224-Y240 HydrophobicContact CB-CE2 4.01Å; L224-Y244 HydrophobicContact CD1-CE1 4.37Å; L224-Y244 HydrophobicContact CD1-CE2 4.12Å |
| 225 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L221 D222 H223 N227 A228 I229 Y240 | L221-G225 PolarHBondContact O-N 3.45Å; D222-G225 CarbonylContact O-C 3.56Å; D222-G225 WeakPolarHBondContact O-CA 3.43Å; D222-G225 PolarHBondContact O-N 3.39Å; D222-G225 VanDerWaalsContact O-N 3.11Å; H223-G225 VanDerWaalsContact C-N 3.35Å; G225-N227 VanDerWaalsContact C-N 3.3Å; G225-N227 PolarHBondContact O-N 2.91Å; G225-A228 WeakPolarHBondContact O-CB 3.46Å; G225-A228 PolarHBondContact O-N 2.82Å; G225-A228 VanDerWaalsContact O-N 3.12Å; G225-I229 VanDerWaalsContact O-CG1 3.31Å; G225-I229 WeakPolarHBondContact O-CG1 3.17Å; G225-I229 PolarHBondContact O-N 3.43Å; G225-Y240 VanDerWaalsContact CA-CE1 3.46Å; G225-Y240 VanDerWaalsContact N-CE2 3.28Å |
| 226 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -39 | 176.4 | -72.6 | 168.3 | 0 | 0 | 0 | 111.9 | F195 D222 I229 R230 I276 Y279 A296 | F195-L226 HydrophobicContact CE1-CD2 3.57Å; F195-L226 HydrophobicContact CE1-CG 3.66Å; F195-L226 HydrophobicContact CE2-CD2 4.31Å; F195-L226 HydrophobicContact CZ-CD2 3.37Å; F195-L226 HydrophobicContact CZ-CG 4.03Å; D222-L226 WeakPolarHBondContact O-CG 3.16Å; D222-L226 PolarHBondContact O-N 3.48Å; L226-I229 PolarHBondContact O-N 2.94Å; L226-R230 VanDerWaalsContact O-CB 3.23Å; L226-R230 WeakPolarHBondContact O-CB 3.29Å; L226-R230 PolarHBondContact O-N 2.87Å; L226-I276 HydrophobicContact CB-CD1 3.73Å; L226-I276 HydrophobicContact CB-CG1 4.27Å; L226-I276 HydrophobicContact CD1-CG2 4.17Å; L226-Y279 HydrophobicContact CD1-CD2 4.15Å; L226-A296 HydrophobicContact CD1-CB 4.11Å; L226-A296 HydrophobicContact CD2-CB 3.75Å; L226-A296 HydrophobicContact CG-CB 4.46Å |
| 227 | N | 98.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 43.2 Ų | 43.2 | 36% | 0.358 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.1 | -78 | -41.9 | 0 | 0 | 0 | 112.3 | H223 L224 G225 R230 S231 | H223-N227 VanDerWaalsContact O-CB 3.24Å; H223-N227 WeakPolarHBondContact O-CB 3.37Å; H223-N227 PolarHBondContact O-N 2.8Å; H223-N227 PolarHBondContact O-ND2 2.93Å; L224-N227 PolarHBondContact O-N 3.48Å; G225-N227 VanDerWaalsContact C-N 3.3Å; G225-N227 PolarHBondContact O-N 2.91Å; N227-R230 PolarHBondContact O-N 3.21Å; N227-R230 PolarHBondContact OD1-NE 3.04Å; N227-R230 PolarHBondContact OD1-NH2 2.85Å; N227-S231 PolarHBondContact O-N 3.46Å |
| 228 | A | 98.7 | Very high | 98.6 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L224 G225 S231 F237 | L224-A228 PolarHBondContact O-N 3.27Å; G225-A228 WeakPolarHBondContact O-CB 3.46Å; G225-A228 PolarHBondContact O-N 2.82Å; G225-A228 VanDerWaalsContact O-N 3.12Å; A228-S231 WeakPolarHBondContact O-CB 3.49Å; A228-S231 PolarHBondContact O-N 3.05Å; A228-S231 PolarHBondContact O-OG 3.5Å; A228-F237 HydrophobicContact CB-CB 4.39Å; A228-F237 HydrophobicContact CB-CD2 4.33Å |
| 229 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.6 | -64.1 | 165 | 0 | 0 | 0 | 110.7 | I50 F195 G225 L226 S231 L232 F237 I254 L258 L274 | I50-I229 HydrophobicContact CD1-CG2 3.74Å; F195-I229 HydrophobicContact CE1-CD1 4.3Å; F195-I229 HydrophobicContact CZ-CD1 3.95Å; G225-I229 VanDerWaalsContact O-CG1 3.31Å; G225-I229 WeakPolarHBondContact O-CG1 3.17Å; G225-I229 PolarHBondContact O-N 3.43Å; L226-I229 PolarHBondContact O-N 2.94Å; I229-S231 PolarHBondContact O-N 3.48Å; I229-L232 WeakPolarHBondContact O-CA 3.11Å; I229-L232 PolarHBondContact O-N 3.46Å; I229-F237 HydrophobicContact CD1-CD2 4.16Å; I229-F237 HydrophobicContact CD1-CE2 3.72Å; I229-F237 HydrophobicContact CD1-CZ 4.07Å; I229-F237 HydrophobicContact CG1-CD2 3.59Å; I229-F237 HydrophobicContact CG1-CE2 3.69Å; I229-F237 HydrophobicContact CG1-CG 4.05Å; I229-F237 HydrophobicContact CG1-CZ 4.22Å; I229-I254 HydrophobicContact CD1-CD1 4.04Å; I229-I254 HydrophobicContact CD1-CG2 3.79Å; I229-I254 HydrophobicContact CG1-CG2 3.75Å; I229-I254 HydrophobicContact CG2-CG2 4.28Å; I229-L258 HydrophobicContact CG2-CD2 4.46Å; I229-L274 HydrophobicContact CG2-CD1 3.8Å; I229-L274 HydrophobicContact CG2-CD2 4.27Å |
| 230 | R | 98.3 | Very high | 98.5 | Very high | 133 Ų | 133 | 48.2 Ų | 48.2 | 50% | 0.502 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.4 | -27.5 | 178.6 | 178.7 | 169.4 | 69 | 151.5 | 1.9 | 113.7 | L226 N227 L232 L274 I276 | L226-R230 VanDerWaalsContact O-CB 3.23Å; L226-R230 WeakPolarHBondContact O-CB 3.29Å; L226-R230 PolarHBondContact O-N 2.87Å; N227-R230 PolarHBondContact O-N 3.21Å; N227-R230 PolarHBondContact OD1-NE 3.04Å; N227-R230 PolarHBondContact OD1-NH2 2.85Å; R230-L232 PolarHBondContact O-N 2.84Å; R230-L274 HydrophobicContact CB-CD2 3.99Å; R230-L274 HydrophobicContact CG-CD2 4.5Å; R230-L274 WeakPolarHBondContact CG-O 3.45Å; R230-I276 HydrophobicContact CB-CD1 4.45Å |
| 231 | S | 98.1 | Very high | 98.5 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.4 | 173.8 | 81.4 | 0 | 0 | 0 | 0 | 113.3 | N227 A228 I229 K233 S236 | N227-S231 PolarHBondContact O-N 3.46Å; A228-S231 WeakPolarHBondContact O-CB 3.49Å; A228-S231 PolarHBondContact O-N 3.05Å; A228-S231 PolarHBondContact O-OG 3.5Å; I229-S231 PolarHBondContact O-N 3.48Å; S231-K233 PolarHBondContact O-N 2.92Å; S231-K233 PolarHBondContact OG-N 3.25Å; S231-S236 WeakPolarHBondContact OG-CB 3.31Å |
| 232 | L | 98.1 | Very high | 98.5 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 37.2 | -177.8 | -62.6 | -178.8 | 0 | 0 | 0 | 112.3 | I229 R230 L258 I261 R265 L272 L274 L300 | I229-L232 WeakPolarHBondContact O-CA 3.11Å; I229-L232 PolarHBondContact O-N 3.46Å; R230-L232 PolarHBondContact O-N 2.84Å; L232-L258 HydrophobicContact CD2-CD2 4.22Å; L232-I261 HydrophobicContact CB-CG2 4.16Å; L232-I261 HydrophobicContact CD1-CG2 4.37Å; L232-I261 HydrophobicContact CD2-CD1 3.62Å; L232-R265 VanDerWaalsContact CB-NH1 3.28Å; L232-R265 VanDerWaalsContact CD1-NH2 3.31Å; L232-R265 PolarHBondContact O-NH1 2.86Å; L232-L272 HydrophobicContact CD1-CB 4.29Å; L232-L272 WeakPolarHBondContact CD1-O 3.47Å; L232-L274 HydrophobicContact CD2-CB 3.81Å; L232-L274 HydrophobicContact CD2-CD1 4.13Å; L232-L274 HydrophobicContact CG-CB 4.29Å; L232-L300 HydrophobicContact CD1-CD1 3.91Å; L232-L300 HydrophobicContact CD2-CD1 3.89Å |
| 233 | K | 97.9 | Very high | 98.5 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 27% | 0.266 | S | S | . | . | trans | -125.5 | 117.6 | 179.1 | -67.6 | 177.2 | -176 | -178.8 | 0 | 109.8 | S231 K235 S236 F237 | S231-K233 PolarHBondContact O-N 2.92Å; S231-K233 PolarHBondContact OG-N 3.25Å; K233-K235 VanDerWaalsContact C-N 3.31Å; K233-K235 PolarHBondContact O-N 2.91Å; K233-S236 PolarHBondContact O-N 2.93Å; K233-S236 VanDerWaalsContact O-N 3.12Å; K233-F237 PolarHBondContact O-N 3.3Å | ||
| 234 | P | 98.5 | Very high | 98.4 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.6 | -47.3 | 178.5 | -26.9 | 32.8 | 0 | 0 | 0 | 112.8 | S236 F237 I238 L258 F259 D262 | P234-S236 VanDerWaalsContact C-N 3.27Å; P234-S236 PolarHBondContact O-N 3.16Å; P234-F237 PolarHBondContact O-N 3.17Å; P234-I238 VanDerWaalsContact O-CG1 3.32Å; P234-I238 WeakPolarHBondContact O-CG1 3.41Å; P234-I238 PolarHBondContact O-N 2.91Å; P234-L258 HydrophobicContact CB-CB 4.43Å; P234-L258 HydrophobicContact CG-CB 4.03Å; P234-F259 HydrophobicContact CB-CD1 3.9Å; P234-F259 HydrophobicContact CB-CD2 4.21Å; P234-F259 HydrophobicContact CB-CE1 3.56Å; P234-F259 HydrophobicContact CB-CE2 3.9Å; P234-F259 HydrophobicContact CB-CG 4.21Å; P234-F259 HydrophobicContact CB-CZ 3.57Å; P234-F259 HydrophobicContact CG-CD1 3.58Å; P234-F259 HydrophobicContact CG-CD2 4.38Å; P234-F259 HydrophobicContact CG-CE1 3.73Å; P234-F259 HydrophobicContact CG-CG 3.93Å; P234-F259 HydrophobicContact CG-CZ 4.21Å; P234-D262 HydrophobicContact CG-CB 3.83Å |
| 235 | K | 98.2 | Very high | 98.4 | Very high | 177 Ų | 177 | 56 Ų | 56 | 77% | 0.77 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -58.1 | -34.7 | -179.4 | -68 | -175.7 | 177.9 | 179.5 | 0 | 113.9 | K233 K239 | K233-K235 VanDerWaalsContact C-N 3.31Å; K233-K235 PolarHBondContact O-N 2.91Å; K235-K239 WeakPolarHBondContact O-CB 3.47Å; K235-K239 PolarHBondContact O-N 3.39Å |
| 236 | S | 98.5 | Very high | 98.4 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 34% | 0.336 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 178 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | S231 K233 P234 Y240 | S231-S236 WeakPolarHBondContact OG-CB 3.31Å; K233-S236 PolarHBondContact O-N 2.93Å; K233-S236 VanDerWaalsContact O-N 3.12Å; P234-S236 VanDerWaalsContact C-N 3.27Å; P234-S236 PolarHBondContact O-N 3.16Å; S236-Y240 PolarHBondContact O-N 2.96Å |
| 237 | F | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.8 | -38.1 | 178.3 | -172.4 | -127.3 | 0 | 0 | 0 | 112.4 | A228 I229 K233 P234 K239 Y240 L241 I248 R251 I254 L258 | A228-F237 HydrophobicContact CB-CB 4.39Å; A228-F237 HydrophobicContact CB-CD2 4.33Å; I229-F237 HydrophobicContact CD1-CD2 4.16Å; I229-F237 HydrophobicContact CD1-CE2 3.72Å; I229-F237 HydrophobicContact CD1-CZ 4.07Å; I229-F237 HydrophobicContact CG1-CD2 3.59Å; I229-F237 HydrophobicContact CG1-CE2 3.69Å; I229-F237 HydrophobicContact CG1-CG 4.05Å; I229-F237 HydrophobicContact CG1-CZ 4.22Å; K233-F237 PolarHBondContact O-N 3.3Å; P234-F237 PolarHBondContact O-N 3.17Å; F237-K239 PolarHBondContact O-N 3.36Å; F237-Y240 AromaticContact CD2-CD1 3.79Å; F237-Y240 HydrophobicContact CD2-CD1 3.79Å; F237-Y240 HydrophobicContact CD2-CE1 4.41Å; F237-Y240 AromaticContact CE2-CD1 3.72Å; F237-Y240 HydrophobicContact CE2-CD1 3.72Å; F237-Y240 AromaticContact CE2-CE1 3.91Å; F237-Y240 HydrophobicContact CE2-CE1 3.91Å; F237-Y240 WeakPolarHBondContact O-CB 3.34Å; F237-Y240 PolarHBondContact O-N 3.17Å; F237-L241 HydrophobicContact CD1-CD1 4.05Å; F237-L241 HydrophobicContact CE1-CD1 3.77Å; F237-L241 HydrophobicContact CE1-CG 4.35Å; F237-L241 HydrophobicContact CE2-CD2 4.23Å; F237-L241 HydrophobicContact CE2-CG 4.29Å; F237-L241 HydrophobicContact CZ-CD1 4.05Å; F237-L241 HydrophobicContact CZ-CD2 4.06Å; F237-L241 HydrophobicContact CZ-CG 4.18Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.24Å; F237-I248 HydrophobicContact CE2-CD1 4.21Å; F237-I248 HydrophobicContact CZ-CD1 4.21Å; F237-R251 HydrophobicContact CE1-CB 4.17Å; F237-R251 WeakPolarHBondContact CE1-O 3.41Å; F237-R251 HydrophobicContact CZ-CB 4.14Å; F237-I254 HydrophobicContact CD1-CG2 3.96Å; F237-I254 HydrophobicContact CE1-CB 3.98Å; F237-I254 HydrophobicContact CE1-CG2 3.56Å; F237-I254 HydrophobicContact CZ-CB 4.44Å; F237-I254 HydrophobicContact CZ-CD1 4.43Å; F237-I254 HydrophobicContact CZ-CG2 3.99Å; F237-L258 HydrophobicContact CB-CD1 3.57Å; F237-L258 HydrophobicContact CD1-CD1 3.82Å; F237-L258 HydrophobicContact CG-CD1 3.93Å |
| 238 | I | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -52.3 | 173.2 | -68.8 | 171.6 | 0 | 0 | 0 | 110.6 | F168 P234 Y240 L241 E242 F259 | F168-I238 HydrophobicContact CB-CD1 4.37Å; F168-I238 HydrophobicContact CD1-CD1 3.75Å; F168-I238 HydrophobicContact CD1-CG1 3.76Å; F168-I238 HydrophobicContact CD2-CD1 4.3Å; F168-I238 HydrophobicContact CD2-CG2 4.2Å; F168-I238 HydrophobicContact CE1-CB 4.33Å; F168-I238 HydrophobicContact CE1-CD1 4.08Å; F168-I238 HydrophobicContact CE1-CG1 3.56Å; F168-I238 HydrophobicContact CE1-CG2 4.17Å; F168-I238 HydrophobicContact CE2-CG1 4.38Å; F168-I238 HydrophobicContact CE2-CG2 3.57Å; F168-I238 HydrophobicContact CG-CD1 3.89Å; F168-I238 HydrophobicContact CG-CG1 4.3Å; F168-I238 HydrophobicContact CZ-CB 4.17Å; F168-I238 HydrophobicContact CZ-CD1 4.47Å; F168-I238 HydrophobicContact CZ-CG1 3.89Å; F168-I238 HydrophobicContact CZ-CG2 3.57Å; P234-I238 VanDerWaalsContact O-CG1 3.32Å; P234-I238 WeakPolarHBondContact O-CG1 3.41Å; P234-I238 PolarHBondContact O-N 2.91Å; I238-Y240 VanDerWaalsContact C-N 3.28Å; I238-Y240 PolarHBondContact O-N 3.17Å; I238-L241 PolarHBondContact O-N 2.89Å; I238-E242 HydrophobicContact CG2-CG 4.37Å; I238-E242 WeakPolarHBondContact O-CG 3.21Å; I238-E242 PolarHBondContact O-N 3.23Å; I238-F259 HydrophobicContact CD1-CZ 4.26Å |
| 239 | K | 98.5 | Very high | 98.2 | Very high | 135 Ų | 135 | 55.1 Ų | 55.1 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.9 | -41.9 | 178.7 | -177.8 | 178.9 | 176.7 | -178.2 | 0 | 112.2 | K235 F237 E242 E243 | K235-K239 WeakPolarHBondContact O-CB 3.47Å; K235-K239 PolarHBondContact O-N 3.39Å; F237-K239 PolarHBondContact O-N 3.36Å; K239-E242 PolarHBondContact O-N 2.77Å; K239-E243 VanDerWaalsContact O-CB 3.32Å; K239-E243 WeakPolarHBondContact O-CB 3.47Å; K239-E243 PolarHBondContact O-N 2.78Å |
| 240 | Y | 98.7 | Very high | 98.2 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 4% | 0.035 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 175.7 | 159.1 | -96.9 | 0 | 0 | 0 | 112.1 | L221 L224 G225 S236 F237 I238 E243 Y244 N246 I248 | L221-Y240 HydrophobicContact CD1-CE2 3.95Å; L221-Y240 WeakPolarHBondContact O-CE2 3.36Å; L221-Y240 PolarHBondContact O-OH 2.95Å; L224-Y240 HydrophobicContact CB-CD2 4.1Å; L224-Y240 HydrophobicContact CB-CE2 4.01Å; G225-Y240 VanDerWaalsContact CA-CE1 3.46Å; G225-Y240 VanDerWaalsContact N-CE2 3.28Å; S236-Y240 PolarHBondContact O-N 2.96Å; F237-Y240 AromaticContact CD2-CD1 3.79Å; F237-Y240 HydrophobicContact CD2-CD1 3.79Å; F237-Y240 HydrophobicContact CD2-CE1 4.41Å; F237-Y240 AromaticContact CE2-CD1 3.72Å; F237-Y240 HydrophobicContact CE2-CD1 3.72Å; F237-Y240 AromaticContact CE2-CE1 3.91Å; F237-Y240 HydrophobicContact CE2-CE1 3.91Å; F237-Y240 WeakPolarHBondContact O-CB 3.34Å; F237-Y240 PolarHBondContact O-N 3.17Å; I238-Y240 VanDerWaalsContact C-N 3.28Å; I238-Y240 PolarHBondContact O-N 3.17Å; Y240-E243 PolarHBondContact O-N 2.74Å; Y240-Y244 AromaticContact CD2-CD2 3.47Å; Y240-Y244 HydrophobicContact CD2-CD2 3.47Å; Y240-Y244 VanDerWaalsContact CD2-CD2 3.47Å; Y240-Y244 HydrophobicContact CD2-CE2 4.01Å; Y240-Y244 HydrophobicContact CD2-CG 4.4Å; Y240-Y244 AromaticContact CE2-CD2 3.73Å; Y240-Y244 HydrophobicContact CE2-CD2 3.73Å; Y240-Y244 HydrophobicContact CE2-CE2 4.45Å; Y240-Y244 HydrophobicContact CE2-CG 4.26Å; Y240-Y244 HydrophobicContact CG-CD2 4.4Å; Y240-Y244 WeakPolarHBondContact O-CD2 3.21Å; Y240-Y244 PolarHBondContact O-N 3.34Å; Y240-N246 HydrophobicContact CE1-CB 4.36Å; Y240-N246 WeakPolarHBondContact OH-CB 3.4Å; Y240-N246 PolarHBondContact OH-ND2 2.9Å; Y240-I248 HydrophobicContact CE1-CD1 3.89Å |
| 241 | L | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 178.3 | -67 | 172.9 | 0 | 0 | 0 | 111.9 | F237 I238 S245 R251 | F237-L241 HydrophobicContact CD1-CD1 4.05Å; F237-L241 HydrophobicContact CE1-CD1 3.77Å; F237-L241 HydrophobicContact CE1-CG 4.35Å; F237-L241 HydrophobicContact CE2-CD2 4.23Å; F237-L241 HydrophobicContact CE2-CG 4.29Å; F237-L241 HydrophobicContact CZ-CD1 4.05Å; F237-L241 HydrophobicContact CZ-CD2 4.06Å; F237-L241 HydrophobicContact CZ-CG 4.18Å; F237-L241 WeakPolarHBondContact O-CG 3.49Å; F237-L241 PolarHBondContact O-N 3.24Å; I238-L241 PolarHBondContact O-N 2.89Å; L241-S245 VanDerWaalsContact O-CA 3.23Å; L241-S245 WeakPolarHBondContact O-CA 3.3Å; L241-S245 PolarHBondContact O-N 3.38Å; L241-R251 HydrophobicContact CD1-CB 4.07Å; L241-R251 HydrophobicContact CD1-CG 4.41Å; L241-R251 HydrophobicContact CD2-CB 4.21Å |
| 242 | E | 97.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 54 Ų | 54 | 60% | 0.603 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.7 | -41.5 | 175.5 | -70.2 | 171.8 | 163.2 | 0 | 0 | 111.8 | I238 K239 | I238-E242 HydrophobicContact CG2-CG 4.37Å; I238-E242 WeakPolarHBondContact O-CG 3.21Å; I238-E242 PolarHBondContact O-N 3.23Å; K239-E242 PolarHBondContact O-N 2.77Å |
| 243 | E | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 53.9 Ų | 53.9 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.8 | -43.5 | -177.1 | -172.7 | 174.2 | 152.8 | 0 | 0 | 112.6 | K239 Y240 | K239-E243 VanDerWaalsContact O-CB 3.32Å; K239-E243 WeakPolarHBondContact O-CB 3.47Å; K239-E243 PolarHBondContact O-N 2.78Å; Y240-E243 PolarHBondContact O-N 2.74Å |
| 244 | Y | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -108.1 | -15.7 | -170.9 | -63.5 | -79.1 | 0 | 0 | 0 | 114.7 | Y204 Y206 L221 L224 Y240 N246 | Y204-Y244 WeakPolarHBondContact CE2-O 3.29Å; Y204-Y244 PolarHBondContact OH-O 3.37Å; Y206-Y244 HydrophobicContact CD2-CD1 4.38Å; Y206-Y244 AromaticContact CE2-CD1 3.69Å; Y206-Y244 HydrophobicContact CE2-CD1 3.69Å; Y206-Y244 HydrophobicContact CE2-CE1 4.08Å; Y206-Y244 AromaticContact CZ-CD1 3.87Å; Y206-Y244 AromaticContact CZ-CE1 3.94Å; L221-Y244 VanDerWaalsContact CD1-CB 3.49Å; L221-Y244 HydrophobicContact CD1-CD1 3.47Å; L221-Y244 VanDerWaalsContact CD1-CD1 3.47Å; L221-Y244 HydrophobicContact CD1-CD2 4.16Å; L221-Y244 HydrophobicContact CD1-CE1 4.28Å; L221-Y244 HydrophobicContact CD1-CG 3.42Å; L221-Y244 VanDerWaalsContact CD1-CG 3.42Å; L224-Y244 HydrophobicContact CD1-CE1 4.37Å; L224-Y244 HydrophobicContact CD1-CE2 4.12Å; Y240-Y244 AromaticContact CD2-CD2 3.47Å; Y240-Y244 HydrophobicContact CD2-CD2 3.47Å; Y240-Y244 VanDerWaalsContact CD2-CD2 3.47Å; Y240-Y244 HydrophobicContact CD2-CE2 4.01Å; Y240-Y244 HydrophobicContact CD2-CG 4.4Å; Y240-Y244 AromaticContact CE2-CD2 3.73Å; Y240-Y244 HydrophobicContact CE2-CD2 3.73Å; Y240-Y244 HydrophobicContact CE2-CE2 4.45Å; Y240-Y244 HydrophobicContact CE2-CG 4.26Å; Y240-Y244 HydrophobicContact CG-CD2 4.4Å; Y240-Y244 WeakPolarHBondContact O-CD2 3.21Å; Y240-Y244 PolarHBondContact O-N 3.34Å; Y244-N246 PolarHBondContact O-N 3.37Å; Y244-N246 VanDerWaalsContact O-N 3.08Å |
| 245 | S | 97.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 58% | 0.58 | 23% | 0.232 | S | C | * | . | trans | 49.4 | 34.4 | -174.2 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | Y204 L241 | Y204-S245 WeakPolarHBondContact CE2-O 3.25Å; L241-S245 VanDerWaalsContact O-CA 3.23Å; L241-S245 WeakPolarHBondContact O-CA 3.3Å; L241-S245 PolarHBondContact O-N 3.38Å | ||
| 246 | N | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -60.3 | 142 | -177.1 | -167.4 | -3.1 | 0 | 0 | 0 | 110.5 | C196 Y204 L221 D222 Y240 Y244 I248 | C196-N246 VanDerWaalsContact CA-OD1 3.31Å; C196-N246 WeakPolarHBondContact CA-OD1 3.39Å; C196-N246 VanDerWaalsContact CB-OD1 3.27Å; C196-N246 WeakPolarHBondContact CB-OD1 3.37Å; C196-N246 PolarHBondContact SG-OD1 3.19Å; Y204-N246 WeakPolarHBondContact OH-CA 3.38Å; L221-N246 HydrophobicContact CD2-CB 4.28Å; D222-N246 PolarHBondContact OD1-ND2 2.79Å; Y240-N246 HydrophobicContact CE1-CB 4.36Å; Y240-N246 WeakPolarHBondContact OH-CB 3.4Å; Y240-N246 PolarHBondContact OH-ND2 2.9Å; Y244-N246 PolarHBondContact O-N 3.37Å; Y244-N246 VanDerWaalsContact O-N 3.08Å; N246-I248 HydrophobicContact CB-CG1 4.3Å; N246-I248 PolarHBondContact O-N 3.06Å | ||
| 247 | T | 98.2 | Very high | 98.4 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 20% | 0.202 | 18% | 0.18 | C | C | . | . | trans | -81.3 | 24.6 | -170.1 | 46.7 | 0 | 0 | 0 | 0 | 114.5 | H197 Y204 C249 | H197-T247 WeakPolarHBondContact CA-OG1 3.25Å; H197-T247 PolarHBondContact CD2-O 3.3Å; H197-T247 PolarHBondContact N-OG1 3.22Å; H197-T247 PolarHBondContact O-OG1 2.96Å; Y204-T247 HydrophobicContact CD1-CG2 4.12Å; Y204-T247 HydrophobicContact CD2-CG2 3.89Å; Y204-T247 HydrophobicContact CG-CG2 3.58Å; T247-C249 PolarHBondContact O-N 3.39Å | ||
| 248 | I | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -54.4 | 111.4 | 175.7 | -54.1 | 179.6 | 0 | 0 | 0 | 109.4 | S193 D194 F195 F237 Y240 N246 R251 I254 | S193-I248 VanDerWaalsContact OG-CG2 3.31Å; S193-I248 WeakPolarHBondContact OG-CG2 3.4Å; D194-I248 WeakPolarHBondContact O-CG2 3.36Å; F195-I248 HydrophobicContact CD1-CD1 3.9Å; F195-I248 HydrophobicContact CD1-CG1 4.29Å; F195-I248 HydrophobicContact CE1-CD1 4.07Å; F195-I248 HydrophobicContact CG-CG1 4.47Å; F195-I248 WeakPolarHBondContact O-CA 3.38Å; F237-I248 HydrophobicContact CE2-CD1 4.21Å; F237-I248 HydrophobicContact CZ-CD1 4.21Å; Y240-I248 HydrophobicContact CE1-CD1 3.89Å; N246-I248 HydrophobicContact CB-CG1 4.3Å; N246-I248 PolarHBondContact O-N 3.06Å; I248-R251 HydrophobicContact CB-CB 4.03Å; I248-R251 HydrophobicContact CG2-CB 3.95Å; I248-R251 WeakPolarHBondContact O-CB 3.28Å; I248-R251 WeakPolarHBondContact O-CD 3.35Å; I248-R251 VanDerWaalsContact O-CG 3.25Å; I248-R251 WeakPolarHBondContact O-CG 3.42Å; I248-R251 PolarHBondContact O-N 3.35Å; I248-R251 PolarHBondContact O-NH1 3.22Å; I248-I254 HydrophobicContact CG2-CD1 4.16Å | ||
| 249 | C | 96.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 16% | 0.162 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -37.5 | -175.1 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | H53 P83 D194 T247 R251 | H53-C249 PolarHBondContact CE1-SG 3.45Å; H53-C249 PolarHBondContact NE2-SG 2.61Å; P83-C249 WeakPolarHBondContact CB-O 3.25Å; P83-C249 HydrophobicContact CG-CB 4.49Å; D194-C249 PolarHBondContact N-SG 2.94Å; D194-C249 VanDerWaalsContact N-SG 3.41Å; D194-C249 PolarHBondContact O-N 2.97Å; T247-C249 PolarHBondContact O-N 3.39Å; C249-R251 VanDerWaalsContact C-N 3.3Å; C249-R251 PolarHBondContact O-N 2.89Å |
| 250 | G | 97.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 13.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S193 R252 S253 I254 | S193-G250 VanDerWaalsContact OG-CA 3.23Å; S193-G250 WeakPolarHBondContact OG-CA 3.33Å; S193-G250 PolarHBondContact OG-N 2.92Å; G250-R252 PolarHBondContact O-N 3.37Å; G250-R252 VanDerWaalsContact O-N 3.11Å; G250-S253 WeakPolarHBondContact O-CB 3.28Å; G250-S253 PolarHBondContact O-N 3.21Å; G250-I254 WeakPolarHBondContact O-CG1 3.42Å; G250-I254 PolarHBondContact O-N 3.42Å |
| 251 | R | 98.6 | Very high | 98.4 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -54.6 | -34.2 | -177 | 65.5 | -173.4 | 176.3 | -94.7 | 4.6 | 113.9 | F237 L241 I248 C249 G255 | F237-R251 HydrophobicContact CE1-CB 4.17Å; F237-R251 WeakPolarHBondContact CE1-O 3.41Å; F237-R251 HydrophobicContact CZ-CB 4.14Å; L241-R251 HydrophobicContact CD1-CB 4.07Å; L241-R251 HydrophobicContact CD1-CG 4.41Å; L241-R251 HydrophobicContact CD2-CB 4.21Å; I248-R251 HydrophobicContact CB-CB 4.03Å; I248-R251 HydrophobicContact CG2-CB 3.95Å; I248-R251 WeakPolarHBondContact O-CB 3.28Å; I248-R251 WeakPolarHBondContact O-CD 3.35Å; I248-R251 VanDerWaalsContact O-CG 3.25Å; I248-R251 WeakPolarHBondContact O-CG 3.42Å; I248-R251 PolarHBondContact O-N 3.35Å; I248-R251 PolarHBondContact O-NH1 3.22Å; C249-R251 VanDerWaalsContact C-N 3.3Å; C249-R251 PolarHBondContact O-N 2.89Å; R251-G255 PolarHBondContact O-N 3Å |
| 252 | R | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 31 Ų | 31 | 26% | 0.264 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -75 | -38.7 | 178.3 | -64.3 | 172.6 | 176.2 | 139.1 | -8.4 | 111.6 | V163 G164 S165 L166 G250 I254 G255 V256 | V163-R252 HydrophobicContact CG1-CB 3.71Å; G164-R252 WeakPolarHBondContact O-CD 3.42Å; S165-R252 VanDerWaalsContact CA-NH1 3.33Å; S165-R252 PolarHBondContact OG-NH1 3.03Å; L166-R252 HydrophobicContact CB-CB 4.47Å; L166-R252 PolarHBondContact O-NE 3.47Å; G250-R252 PolarHBondContact O-N 3.37Å; G250-R252 VanDerWaalsContact O-N 3.11Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 2.92Å; R252-G255 PolarHBondContact O-N 3.45Å; R252-V256 WeakPolarHBondContact O-CG2 3.36Å; R252-V256 PolarHBondContact O-N 2.91Å |
| 253 | S | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 172.1 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | G250 V256 L257 | G250-S253 WeakPolarHBondContact O-CB 3.28Å; G250-S253 PolarHBondContact O-N 3.21Å; S253-V256 PolarHBondContact O-N 3.29Å; S253-L257 PolarHBondContact O-N 3.24Å; S253-L257 VanDerWaalsContact O-N 3.09Å |
| 254 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 172.3 | -66.9 | 167.5 | 0 | 0 | 0 | 110.4 | I50 I191 I229 F237 I248 G250 R252 V256 L257 L258 | I50-I254 HydrophobicContact CD1-CG1 4.43Å; I50-I254 HydrophobicContact CG2-CD1 4.33Å; I50-I254 HydrophobicContact CG2-CG1 4.35Å; I191-I254 HydrophobicContact CG2-CG1 3.96Å; I229-I254 HydrophobicContact CD1-CD1 4.04Å; I229-I254 HydrophobicContact CD1-CG2 3.79Å; I229-I254 HydrophobicContact CG1-CG2 3.75Å; I229-I254 HydrophobicContact CG2-CG2 4.28Å; F237-I254 HydrophobicContact CD1-CG2 3.96Å; F237-I254 HydrophobicContact CE1-CB 3.98Å; F237-I254 HydrophobicContact CE1-CG2 3.56Å; F237-I254 HydrophobicContact CZ-CB 4.44Å; F237-I254 HydrophobicContact CZ-CD1 4.43Å; F237-I254 HydrophobicContact CZ-CG2 3.99Å; I248-I254 HydrophobicContact CG2-CD1 4.16Å; G250-I254 WeakPolarHBondContact O-CG1 3.42Å; G250-I254 PolarHBondContact O-N 3.42Å; R252-I254 VanDerWaalsContact C-N 3.32Å; R252-I254 PolarHBondContact O-N 2.92Å; I254-V256 PolarHBondContact O-N 3.43Å; I254-L257 WeakPolarHBondContact O-CB 3.19Å; I254-L257 PolarHBondContact O-N 2.9Å; I254-L258 HydrophobicContact CG2-CD1 4.11Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 3.27Å |
| 255 | G | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.9 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R251 R252 L257 L258 F259 | R251-G255 PolarHBondContact O-N 3Å; R252-G255 PolarHBondContact O-N 3.45Å; G255-L257 PolarHBondContact O-N 3.45Å; G255-L258 PolarHBondContact O-N 3.33Å; G255-L258 VanDerWaalsContact O-N 3.15Å; G255-F259 WeakPolarHBondContact O-CD2 3.15Å; G255-F259 PolarHBondContact O-N 3.49Å |
| 256 | V | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.6 | -47.3 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L166 Q171 F174 G175 L178 R252 S253 I254 L258 F259 M260 | L166-V256 HydrophobicContact CD1-CG2 3.71Å; Q171-V256 HydrophobicContact CB-CG2 4.3Å; Q171-V256 HydrophobicContact CG-CG2 4.3Å; F174-V256 HydrophobicContact CB-CG1 4.19Å; F174-V256 HydrophobicContact CB-CG2 4.32Å; G175-V256 WeakPolarHBondContact CA-O 3.21Å; L178-V256 HydrophobicContact CD1-CG1 4.19Å; R252-V256 WeakPolarHBondContact O-CG2 3.36Å; R252-V256 PolarHBondContact O-N 2.91Å; S253-V256 PolarHBondContact O-N 3.29Å; I254-V256 PolarHBondContact O-N 3.43Å; V256-L258 PolarHBondContact O-N 3.49Å; V256-F259 PolarHBondContact O-N 3.2Å; V256-M260 HydrophobicContact CG1-CE 3.57Å; V256-M260 WeakPolarHBondContact O-CG 3.23Å; V256-M260 PolarHBondContact O-N 3.23Å |
| 257 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 175 | 173.5 | 66.3 | 0 | 0 | 0 | 111.9 | A48 I50 L182 I191 S253 I254 G255 F259 M260 I261 L300 | A48-L257 HydrophobicContact CB-CD1 4Å; A48-L257 HydrophobicContact CB-CD2 4.33Å; I50-L257 HydrophobicContact CD1-CD2 4.28Å; I50-L257 HydrophobicContact CG1-CD2 4.24Å; L182-L257 HydrophobicContact CD2-CD1 4.06Å; I191-L257 HydrophobicContact CD1-CB 4.17Å; I191-L257 HydrophobicContact CG1-CB 4.06Å; I191-L257 HydrophobicContact CG1-CD2 3.79Å; I191-L257 HydrophobicContact CG1-CG 4.33Å; S253-L257 PolarHBondContact O-N 3.24Å; S253-L257 VanDerWaalsContact O-N 3.09Å; I254-L257 WeakPolarHBondContact O-CB 3.19Å; I254-L257 PolarHBondContact O-N 2.9Å; G255-L257 PolarHBondContact O-N 3.45Å; L257-F259 VanDerWaalsContact C-N 3.28Å; L257-F259 PolarHBondContact O-N 2.87Å; L257-M260 WeakPolarHBondContact O-CB 3.45Å; L257-M260 PolarHBondContact O-N 3.22Å; L257-M260 VanDerWaalsContact O-N 3.17Å; L257-I261 HydrophobicContact CD1-CD1 4.09Å; L257-I261 HydrophobicContact CD1-CG1 4.44Å; L257-I261 HydrophobicContact CG-CD1 4.04Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.48Å; L257-I261 VanDerWaalsContact O-N 3.12Å; L257-L300 HydrophobicContact CD1-CD2 4.37Å |
| 258 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 179.9 | -68.6 | 174.7 | 0 | 0 | 0 | 111.5 | I229 L232 P234 F237 I254 G255 V256 I261 D262 | I229-L258 HydrophobicContact CG2-CD2 4.46Å; L232-L258 HydrophobicContact CD2-CD2 4.22Å; P234-L258 HydrophobicContact CB-CB 4.43Å; P234-L258 HydrophobicContact CG-CB 4.03Å; F237-L258 HydrophobicContact CB-CD1 3.57Å; F237-L258 HydrophobicContact CD1-CD1 3.82Å; F237-L258 HydrophobicContact CG-CD1 3.93Å; I254-L258 HydrophobicContact CG2-CD1 4.11Å; I254-L258 HydrophobicContact CG2-CG 4.38Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 3.27Å; G255-L258 PolarHBondContact O-N 3.33Å; G255-L258 VanDerWaalsContact O-N 3.15Å; V256-L258 PolarHBondContact O-N 3.49Å; L258-I261 PolarHBondContact O-N 2.77Å; L258-D262 WeakPolarHBondContact O-CB 3.37Å; L258-D262 PolarHBondContact O-N 3.43Å |
| 259 | F | 98.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.1 | -31.4 | 174.9 | -78.6 | -68.6 | 0 | 0 | 0 | 113.3 | Q171 E172 P234 I238 G255 V256 L257 I261 D262 C263 | Q171-F259 HydrophobicContact CB-CD2 3.77Å; Q171-F259 HydrophobicContact CB-CE2 3.83Å; E172-F259 VanDerWaalsContact CA-CG 3.48Å; E172-F259 HydrophobicContact CB-CD1 3.68Å; E172-F259 HydrophobicContact CB-CD2 4.17Å; E172-F259 HydrophobicContact CB-CE1 3.68Å; E172-F259 HydrophobicContact CB-CE2 4.18Å; E172-F259 HydrophobicContact CB-CG 3.93Å; E172-F259 HydrophobicContact CB-CZ 3.94Å; E172-F259 HydrophobicContact CG-CD1 3.72Å; E172-F259 HydrophobicContact CG-CE1 3.89Å; E172-F259 HydrophobicContact CG-CG 4.33Å; P234-F259 HydrophobicContact CB-CD1 3.9Å; P234-F259 HydrophobicContact CB-CD2 4.21Å; P234-F259 HydrophobicContact CB-CE1 3.56Å; P234-F259 HydrophobicContact CB-CE2 3.9Å; P234-F259 HydrophobicContact CB-CG 4.21Å; P234-F259 HydrophobicContact CB-CZ 3.57Å; P234-F259 HydrophobicContact CG-CD1 3.58Å; P234-F259 HydrophobicContact CG-CD2 4.38Å; P234-F259 HydrophobicContact CG-CE1 3.73Å; P234-F259 HydrophobicContact CG-CG 3.93Å; P234-F259 HydrophobicContact CG-CZ 4.21Å; I238-F259 HydrophobicContact CD1-CZ 4.26Å; G255-F259 WeakPolarHBondContact O-CD2 3.15Å; G255-F259 PolarHBondContact O-N 3.49Å; V256-F259 PolarHBondContact O-N 3.2Å; L257-F259 VanDerWaalsContact C-N 3.28Å; L257-F259 PolarHBondContact O-N 2.87Å; F259-I261 VanDerWaalsContact C-N 3.28Å; F259-I261 PolarHBondContact O-N 2.9Å; F259-D262 PolarHBondContact O-N 2.98Å; F259-C263 VanDerWaalsContact O-CB 3.29Å; F259-C263 WeakPolarHBondContact O-CB 3.4Å; F259-C263 PolarHBondContact O-N 3.49Å |
| 260 | M | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 168.6 | -64 | -179.9 | -151.5 | 0 | 0 | 110.6 | I81 G175 L178 L182 F189 V256 L257 C263 I264 | I81-M260 HydrophobicContact CD1-CE 3.69Å; G175-M260 WeakPolarHBondContact O-CA 3.3Å; G175-M260 VanDerWaalsContact O-CG 3.27Å; G175-M260 WeakPolarHBondContact O-CG 3.24Å; L178-M260 HydrophobicContact CB-CE 3.62Å; L178-M260 HydrophobicContact CB-CG 4.1Å; L178-M260 HydrophobicContact CB-SD 3.86Å; L178-M260 HydrophobicContact CD1-CE 3.64Å; L178-M260 HydrophobicContact CG-CE 4.28Å; L182-M260 HydrophobicContact CB-SD 4.14Å; L182-M260 HydrophobicContact CD2-CB 3.67Å; L182-M260 HydrophobicContact CD2-SD 4.14Å; F189-M260 HydrophobicContact CD1-CE 3.94Å; F189-M260 HydrophobicContact CD1-SD 4.07Å; F189-M260 HydrophobicContact CE1-CE 3.66Å; F189-M260 HydrophobicContact CE1-SD 3.73Å; F189-M260 HydrophobicContact CZ-SD 4.18Å; V256-M260 HydrophobicContact CG1-CE 3.57Å; V256-M260 WeakPolarHBondContact O-CG 3.23Å; V256-M260 PolarHBondContact O-N 3.23Å; L257-M260 WeakPolarHBondContact O-CB 3.45Å; L257-M260 PolarHBondContact O-N 3.22Å; L257-M260 VanDerWaalsContact O-N 3.17Å; M260-C263 WeakPolarHBondContact O-CB 3.41Å; M260-C263 PolarHBondContact O-N 3.12Å; M260-I264 VanDerWaalsContact O-CG1 3.28Å; M260-I264 WeakPolarHBondContact O-CG1 3.38Å; M260-I264 PolarHBondContact O-N 2.78Å; M260-I264 VanDerWaalsContact O-N 3.08Å |
| 261 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -41.3 | -178 | -62.6 | 165.8 | 0 | 0 | 0 | 111.2 | L182 L232 L257 L258 F259 I264 R265 L272 L300 | L182-I261 HydrophobicContact CD2-CG1 3.85Å; L232-I261 HydrophobicContact CB-CG2 4.16Å; L232-I261 HydrophobicContact CD1-CG2 4.37Å; L232-I261 HydrophobicContact CD2-CD1 3.62Å; L257-I261 HydrophobicContact CD1-CD1 4.09Å; L257-I261 HydrophobicContact CD1-CG1 4.44Å; L257-I261 HydrophobicContact CG-CD1 4.04Å; L257-I261 WeakPolarHBondContact O-CG1 3.41Å; L257-I261 PolarHBondContact O-N 3.48Å; L257-I261 VanDerWaalsContact O-N 3.12Å; L258-I261 PolarHBondContact O-N 2.77Å; F259-I261 VanDerWaalsContact C-N 3.28Å; F259-I261 PolarHBondContact O-N 2.9Å; I261-I264 PolarHBondContact O-N 3.12Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 3.11Å; I261-L272 HydrophobicContact CG1-CD1 4.31Å; I261-L272 HydrophobicContact CG2-CD1 4.12Å; I261-L300 HydrophobicContact CD1-CD1 3.75Å; I261-L300 HydrophobicContact CD1-CD2 3.69Å; I261-L300 HydrophobicContact CD1-CG 4.38Å; I261-L300 HydrophobicContact CG1-CD2 4.12Å |
| 262 | D | 98.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 175.7 | -163.5 | 74.8 | 0 | 0 | 0 | 111.1 | P234 L258 F259 I264 R265 Q266 | P234-D262 HydrophobicContact CG-CB 3.83Å; L258-D262 WeakPolarHBondContact O-CB 3.37Å; L258-D262 PolarHBondContact O-N 3.43Å; F259-D262 PolarHBondContact O-N 2.98Å; D262-I264 VanDerWaalsContact C-N 3.32Å; D262-I264 PolarHBondContact O-N 3.15Å; D262-R265 PolarHBondContact O-N 2.93Å; D262-R265 VanDerWaalsContact O-N 3.16Å; D262-Q266 WeakPolarHBondContact O-CG 3.4Å; D262-Q266 PolarHBondContact O-N 3.12Å; D262-Q266 PolarHBondContact OD2-NE2 3.23Å |
| 263 | C | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -44.1 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | N176 F259 M260 Q266 K267 | N176-C263 WeakPolarHBondContact OD1-CB 3.42Å; N176-C263 PolarHBondContact OD1-SG 3.28Å; F259-C263 VanDerWaalsContact O-CB 3.29Å; F259-C263 WeakPolarHBondContact O-CB 3.4Å; F259-C263 PolarHBondContact O-N 3.49Å; M260-C263 WeakPolarHBondContact O-CB 3.41Å; M260-C263 PolarHBondContact O-N 3.12Å; C263-Q266 PolarHBondContact O-N 3.27Å; C263-K267 WeakPolarHBondContact O-CG 3.4Å; C263-K267 PolarHBondContact O-N 2.79Å; C263-K267 PolarHBondContact SG-NZ 2.75Å |
| 264 | I | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 177.1 | -71.8 | 165.3 | 0 | 0 | 0 | 110.2 | L182 L183 M260 I261 D262 Q266 K267 Q268 | L182-I264 HydrophobicContact CB-CD1 4.2Å; L182-I264 HydrophobicContact CD2-CD1 3.9Å; L182-I264 HydrophobicContact CG-CD1 4.08Å; L183-I264 HydrophobicContact CD1-CG1 4.03Å; L183-I264 HydrophobicContact CD2-CB 4.41Å; L183-I264 HydrophobicContact CD2-CD1 3.74Å; L183-I264 HydrophobicContact CD2-CG1 3.83Å; L183-I264 HydrophobicContact CD2-CG2 3.71Å; L183-I264 HydrophobicContact CG-CD1 3.73Å; L183-I264 HydrophobicContact CG-CG1 3.74Å; M260-I264 VanDerWaalsContact O-CG1 3.28Å; M260-I264 WeakPolarHBondContact O-CG1 3.38Å; M260-I264 PolarHBondContact O-N 2.78Å; M260-I264 VanDerWaalsContact O-N 3.08Å; I261-I264 PolarHBondContact O-N 3.12Å; D262-I264 VanDerWaalsContact C-N 3.32Å; D262-I264 PolarHBondContact O-N 3.15Å; I264-Q266 VanDerWaalsContact C-N 3.28Å; I264-Q266 PolarHBondContact O-N 2.98Å; I264-K267 PolarHBondContact O-N 2.85Å; I264-Q268 HydrophobicContact CG2-CG 4.19Å; I264-Q268 PolarHBondContact O-N 2.75Å; I264-Q268 VanDerWaalsContact O-O 3.09Å |
| 265 | R | 96.2 | Very high | 96.1 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.3 | -30.5 | -177.5 | -77.1 | 174.2 | 171.2 | -176.8 | -6.1 | 113.7 | L232 I261 D262 K267 Q268 S270 L272 | L232-R265 VanDerWaalsContact CB-NH1 3.28Å; L232-R265 VanDerWaalsContact CD1-NH2 3.31Å; L232-R265 PolarHBondContact O-NH1 2.86Å; I261-R265 WeakPolarHBondContact O-CG 3.48Å; I261-R265 PolarHBondContact O-N 3.11Å; D262-R265 PolarHBondContact O-N 2.93Å; D262-R265 VanDerWaalsContact O-N 3.16Å; R265-K267 VanDerWaalsContact C-N 3.27Å; R265-Q268 WeakPolarHBondContact CA-O 3.46Å; R265-S270 WeakPolarHBondContact CG-OG 3.34Å; R265-S270 PolarHBondContact NE-OG 3.17Å; R265-S270 VanDerWaalsContact NE-OG 3.15Å; R265-L272 PolarHBondContact NH2-O 3.11Å |
| 266 | Q | 95.7 | Very high | 96 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -68.7 | -27.6 | 173.3 | -69.2 | 177.9 | 26.3 | 0 | 0 | 112.5 | D262 C263 I264 | D262-Q266 WeakPolarHBondContact O-CG 3.4Å; D262-Q266 PolarHBondContact O-N 3.12Å; D262-Q266 PolarHBondContact OD2-NE2 3.23Å; C263-Q266 PolarHBondContact O-N 3.27Å; I264-Q266 VanDerWaalsContact C-N 3.28Å; I264-Q266 PolarHBondContact O-N 2.98Å |
| 267 | K | 94.7 | Very high | 95.9 | Very high | 152 Ų | 152 | 48.5 Ų | 48.5 | 66% | 0.661 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -96.3 | -33.9 | -176.4 | -67.2 | 171.7 | -177.4 | 169.1 | 0 | 113.3 | C263 I264 R265 | C263-K267 WeakPolarHBondContact O-CG 3.4Å; C263-K267 PolarHBondContact O-N 2.79Å; C263-K267 PolarHBondContact SG-NZ 2.75Å; I264-K267 PolarHBondContact O-N 2.85Å; R265-K267 VanDerWaalsContact C-N 3.27Å |
| 268 | Q | 91.8 | Very high | 95.9 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -154.9 | 153.2 | -177.7 | 59.9 | -176.4 | -22.1 | 0 | 0 | 112.1 | I264 R265 S270 | I264-Q268 HydrophobicContact CG2-CG 4.19Å; I264-Q268 PolarHBondContact O-N 2.75Å; I264-Q268 VanDerWaalsContact O-O 3.09Å; R265-Q268 WeakPolarHBondContact CA-O 3.46Å; Q268-S270 PolarHBondContact O-N 2.79Å |
| 269 | P | 89.6 | Confident | 95.8 | Very high | 134 Ų | 134 | 51.9 Ų | 51.9 | 87% | 0.87 | 26% | 0.258 | S | S | * | . | trans | -54 | 135.6 | 167.7 | -23.7 | 34.2 | 0 | 0 | 0 | 110.9 | ||||
| 270 | S | 89.5 | Confident | 95.8 | Very high | 34 Ų | 34 | 53.6 Ų | 53.6 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | trans | -125.5 | 132.8 | 176.4 | 79.8 | 0 | 0 | 0 | 0 | 109.6 | R265 Q268 L272 | R265-S270 WeakPolarHBondContact CG-OG 3.34Å; R265-S270 PolarHBondContact NE-OG 3.17Å; R265-S270 VanDerWaalsContact NE-OG 3.15Å; Q268-S270 PolarHBondContact O-N 2.79Å; S270-L272 PolarHBondContact O-N 3.08Å | ||
| 271 | N | 91.8 | Very high | 95.8 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 43% | 0.428 | 27% | 0.273 | S | S | . | . | trans | -91.6 | 27.5 | 171.2 | 60.6 | 4.5 | 0 | 0 | 0 | 112.4 | S302 R303 | N271-S302 WeakPolarHBondContact OD1-CB 3.23Å; N271-R303 PolarHBondContact ND2-O 3.43Å | ||
| 272 | L | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.1 | 179.6 | -67 | 172.8 | 0 | 0 | 0 | 111.1 | R47 L232 I261 R265 S270 L300 V301 | R47-L272 HydrophobicContact CG-CD2 4.06Å; L232-L272 HydrophobicContact CD1-CB 4.29Å; L232-L272 WeakPolarHBondContact CD1-O 3.47Å; I261-L272 HydrophobicContact CG1-CD1 4.31Å; I261-L272 HydrophobicContact CG2-CD1 4.12Å; R265-L272 PolarHBondContact NH2-O 3.11Å; S270-L272 PolarHBondContact O-N 3.08Å; L272-L300 HydrophobicContact CB-CD1 4.15Å; L272-L300 HydrophobicContact CD2-CD2 4.19Å; L272-L300 HydrophobicContact CD2-CG 4.15Å; L272-V301 WeakPolarHBondContact CA-O 3.44Å |
| 273 | E | 95.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 141.7 | 175.3 | 179.4 | -174.8 | 176.7 | 0 | 0 | 109.4 | L300 V301 R303 | E273-L300 CarbonylContact O-C 3.52Å; E273-L300 WeakPolarHBondContact O-CA 3.46Å; E273-V301 HydrophobicContact CB-CG2 4.23Å; E273-V301 PolarHBondContact N-O 2.9Å; E273-V301 PolarHBondContact O-N 3.18Å; E273-R303 IonicContact OE1-NH2 3.98Å; E273-R303 IonicContact OE2-CZ 2.76Å; E273-R303 IonicContact OE2-NE 3.8Å; E273-R303 PolarHBondContact OE2-NE 3Å; E273-R303 IonicContact OE2-NH2 3.54Å; E273-R303 PolarHBondContact OE2-NH2 3.05Å |
| 274 | L | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.2 | 173.1 | -174.4 | 141.3 | 0 | 0 | 0 | 110.7 | I50 I229 R230 L232 I276 C298 A299 L300 | I50-L274 HydrophobicContact CD1-CD1 4.01Å; I229-L274 HydrophobicContact CG2-CD1 3.8Å; I229-L274 HydrophobicContact CG2-CD2 4.27Å; R230-L274 HydrophobicContact CB-CD2 3.99Å; R230-L274 HydrophobicContact CG-CD2 4.5Å; R230-L274 WeakPolarHBondContact CG-O 3.45Å; L232-L274 HydrophobicContact CD2-CB 3.81Å; L232-L274 HydrophobicContact CD2-CD1 4.13Å; L232-L274 HydrophobicContact CG-CB 4.29Å; L274-I276 HydrophobicContact CD2-CG1 4.36Å; L274-C298 HydrophobicContact CD1-CB 4.41Å; L274-C298 HydrophobicContact CD2-CB 3.93Å; L274-C298 HydrophobicContact CG-CB 4.2Å; L274-A299 CarbonylContact C-O 3.6Å; L274-A299 WeakPolarHBondContact CA-O 3.48Å; L274-L300 HydrophobicContact CB-CD1 4.34Å |
| 275 | K | 96.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 61 Ų | 61 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.4 | 173.9 | -65.9 | -175.1 | 173 | -176.1 | 0 | 109.5 | N39 L277 C298 A299 V301 | N39-K275 PolarHBondContact O-NZ 2.9Å; N39-K275 VanDerWaalsContact O-NZ 3.15Å; K275-L277 HydrophobicContact CB-CD2 3.84Å; K275-C298 CarbonylContact O-C 3.58Å; K275-C298 WeakPolarHBondContact O-CA 3.4Å; K275-C298 WeakPolarHBondContact O-CB 3.4Å; K275-A299 PolarHBondContact N-O 3.37Å; K275-A299 PolarHBondContact O-N 3.48Å; K275-V301 HydrophobicContact CD-CG2 4.48Å; K275-V301 HydrophobicContact CG-CG2 4.48Å |
| 276 | I | 97.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 63.2 Ų | 63.2 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 122.4 | 166.1 | -57.9 | 162.1 | 0 | 0 | 0 | 106 | L226 R230 L274 | L226-I276 HydrophobicContact CB-CD1 3.73Å; L226-I276 HydrophobicContact CB-CG1 4.27Å; L226-I276 HydrophobicContact CD1-CG2 4.17Å; R230-I276 HydrophobicContact CB-CD1 4.45Å; L274-I276 HydrophobicContact CD2-CG1 4.36Å |
| 277 | L | 96.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -38.6 | -168.2 | -55.2 | 171.5 | 0 | 0 | 0 | 112.4 | H65 A66 L69 K275 A297 A299 | H65-L277 HydrophobicContact CB-CB 4.04Å; A66-L277 HydrophobicContact CB-CD1 3.83Å; L69-L277 HydrophobicContact CD1-CD1 3.46Å; L69-L277 VanDerWaalsContact CD1-CD1 3.46Å; L69-L277 HydrophobicContact CD1-CD2 3.82Å; L69-L277 HydrophobicContact CD1-CG 4.29Å; K275-L277 HydrophobicContact CB-CD2 3.84Å; L277-A297 HydrophobicContact CB-CB 4.42Å; L277-A297 WeakPolarHBondContact CB-O 3.37Å; L277-A297 PolarHBondContact N-O 3.22Å; L277-A299 HydrophobicContact CD1-CB 3.78Å |
| 278 | N | 97.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 151.7 | 177.4 | -169.6 | -106.9 | 0 | 0 | 0 | 110.4 | H65 A296 A297 | H65-N278 HydrophobicContact CB-CB 3.93Å; H65-N278 VanDerWaalsContact CD2-CB 3.49Å; H65-N278 WeakPolarHBondContact CD2-CB 3.44Å; H65-N278 PolarHBondContact NE2-ND2 3.45Å; N278-A296 WeakPolarHBondContact O-CA 3.38Å; N278-A297 HydrophobicContact CB-CB 4.26Å; N278-A297 PolarHBondContact N-O 3.45Å; N278-A297 PolarHBondContact O-N 3.3Å |
| 279 | Y | 98.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 57.5 Ų | 57.5 | 12% | 0.122 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.8 | 169.1 | 176.6 | -95.1 | 0 | 0 | 0 | 107.9 | E219 D222 L226 Q281 S294 Y295 A296 | E219-Y279 WeakPolarHBondContact CA-OH 3.45Å; E219-Y279 HydrophobicContact CB-CE1 3.77Å; E219-Y279 HydrophobicContact CG-CD1 4.01Å; E219-Y279 HydrophobicContact CG-CE1 3.61Å; D222-Y279 HydrophobicContact CB-CD2 4.4Å; D222-Y279 HydrophobicContact CB-CE2 3.47Å; D222-Y279 VanDerWaalsContact CB-CE2 3.47Å; D222-Y279 WeakPolarHBondContact OD2-CE2 3.27Å; D222-Y279 PolarHBondContact OD2-OH 2.72Å; L226-Y279 HydrophobicContact CD1-CD2 4.15Å; Y279-Q281 HydrophobicContact CE1-CG 3.83Å; Y279-Q281 PolarHBondContact OH-NE2 2.93Å; Y279-S294 VanDerWaalsContact OH-CB 3.25Å; Y279-S294 WeakPolarHBondContact OH-CB 3.32Å; Y279-Y295 WeakPolarHBondContact CA-O 3.42Å; Y279-A296 HydrophobicContact CD2-CB 4.28Å |
| 280 | T | 98.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 54 Ų | 54 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 169.1 | 174.7 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | C62 S294 Y295 | C62-T280 HydrophobicContact CB-CG2 3.89Å; T280-S294 WeakPolarHBondContact O-CA 3.48Å; T280-Y295 HydrophobicContact CG2-CD2 3.99Å; T280-Y295 PolarHBondContact N-O 2.62Å; T280-Y295 PolarHBondContact O-N 2.82Å |
| 281 | Q | 98.3 | Very high | 96.9 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.8 | -179.1 | -63.7 | 177.3 | -11.7 | 0 | 0 | 109.5 | W215 Y279 S283 H284 | W215-Q281 PolarHBondContact O-NE2 3.3Å; Y279-Q281 HydrophobicContact CE1-CG 3.83Å; Y279-Q281 PolarHBondContact OH-NE2 2.93Å; Q281-S283 WeakPolarHBondContact CB-O 3.15Å; Q281-S283 PolarHBondContact O-N 3.26Å; Q281-H284 PolarHBondContact OE1-CD2 2.96Å |
| 282 | S | 97.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 50.3 Ų | 50.3 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -59.6 | -27.8 | 176.2 | 65.7 | 0 | 0 | 0 | 0 | 113.1 | S292 V293 | S282-S292 PolarHBondContact N-OG 2.99Å; S282-S292 WeakPolarHBondContact OG-CA 3.43Å; S282-S292 PolarHBondContact OG-OG 3.09Å; S282-V293 WeakPolarHBondContact CB-O 3.41Å; S282-V293 PolarHBondContact N-O 2.94Å; S282-V293 PolarHBondContact OG-N 3.11Å; S282-V293 PolarHBondContact OG-O 3.29Å |
| 283 | S | 96.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -158.9 | 156.4 | 170.8 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | Q281 C285 S291 S292 | Q281-S283 WeakPolarHBondContact CB-O 3.15Å; Q281-S283 PolarHBondContact O-N 3.26Å; S283-C285 PolarHBondContact O-N 3.28Å; S283-S291 PolarHBondContact OG-O 3.27Å; S283-S291 VanDerWaalsContact OG-O 3.08Å; S283-S292 PolarHBondContact N-OG 2.73Å; S283-S292 VanDerWaalsContact N-OG 3.16Å; S283-S292 WeakPolarHBondContact O-CB 3.42Å; S283-S292 PolarHBondContact O-OG 3.04Å |
| 284 | H | 97.8 | Very high | 97.5 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | trans | -92 | 91.9 | 171.5 | -71.2 | 179.7 | 0 | 0 | 0 | 109.8 | W215 Q281 Q286 | W215-H284 HydrophobicContact CB-CB 3.84Å; W215-H284 HydrophobicContact CD2-CB 4.15Å; W215-H284 AromaticContact CD2-CG 3.9Å; W215-H284 AromaticContact CD2-ND1 3.96Å; W215-H284 HydrophobicContact CG-CB 3.68Å; W215-H284 AromaticContact CG-CG 3.93Å; Q281-H284 PolarHBondContact OE1-CD2 2.96Å; H284-Q286 PolarHBondContact O-N 2.96Å | ||
| 285 | C | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -53.6 | 129.1 | 175.4 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | W198 I214 W215 S283 D290 S292 | W198-C285 HydrophobicContact CE3-CB 4.31Å; W198-C285 HydrophobicContact CZ3-CB 4.09Å; I214-C285 HydrophobicContact CB-CB 4.13Å; I214-C285 WeakPolarHBondContact CB-O 3.29Å; I214-C285 HydrophobicContact CG2-CB 3.68Å; W215-C285 PolarHBondContact N-O 3.07Å; W215-C285 VanDerWaalsContact N-O 3.15Å; S283-C285 PolarHBondContact O-N 3.28Å; C285-D290 WeakPolarHBondContact CA-OD2 3.27Å; C285-D290 HydrophobicContact CB-CB 3.78Å; C285-D290 VanDerWaalsContact SG-CB 3.57Å; C285-S292 VanDerWaalsContact SG-CB 3.59Å | ||
| 286 | Q | 97.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 44.6 Ų | 44.6 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | trans | -115.5 | -23.8 | 174.9 | -65.8 | -78.9 | -21.2 | 0 | 0 | 111 | H284 D290 | H284-Q286 PolarHBondContact O-N 2.96Å; Q286-D290 PolarHBondContact N-OD2 3.21Å | ||
| 287 | S | 97.2 | Very high | 97.8 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -120.3 | 155.9 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | I214 E289 D290 | I214-S287 VanDerWaalsContact CD1-C 3.42Å; S287-E289 PolarHBondContact O-N 2.9Å; S287-E289 PolarHBondContact OG-N 3.37Å; S287-D290 PolarHBondContact N-OD2 3.25Å; S287-D290 WeakPolarHBondContact O-CB 3.5Å; S287-D290 PolarHBondContact O-N 3.29Å; S287-D290 VanDerWaalsContact O-N 3.12Å |
| 288 | M | 96.4 | Very high | 97.9 | Very high | 71 Ų | 71 | 40.2 Ų | 40.2 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -7.5 | 172.3 | -64.6 | -61.9 | -68.7 | 0 | 0 | 113.7 | W198 Q205 Y207 I214 | W198-M288 HydrophobicContact CH2-CE 4.41Å; W198-M288 HydrophobicContact CH2-SD 3.87Å; W198-M288 HydrophobicContact CZ2-CE 4.23Å; W198-M288 HydrophobicContact CZ2-SD 3.9Å; Q205-M288 HydrophobicContact CB-CE 3.82Å; Q205-M288 HydrophobicContact CG-CE 4.42Å; Q205-M288 PolarHBondContact NE2-O 3.03Å; Y207-M288 HydrophobicContact CD1-SD 4.39Å; I214-M288 HydrophobicContact CD1-CG 4.26Å; I214-M288 HydrophobicContact CD1-SD 3.73Å |
| 289 | E | 97.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 38.2 Ų | 38.2 | 62% | 0.621 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -14.1 | 171.6 | -55.8 | -48.8 | 135.4 | 0 | 0 | 113.1 | K200 S287 | K200-E289 IonicContact NZ-OE1 2.65Å; K200-E289 PolarHBondContact NZ-OE1 3.05Å; K200-E289 IonicContact NZ-OE2 2.62Å; K200-E289 PolarHBondContact NZ-OE2 2.99Å; S287-E289 PolarHBondContact O-N 2.9Å; S287-E289 PolarHBondContact OG-N 3.37Å |
| 290 | D | 98 | Very high | 97.8 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 32% | 0.321 | 20% | 0.199 | S | C | . | . | trans | -72.8 | 169.1 | 179.8 | -61.5 | -25.1 | 0 | 0 | 0 | 111.3 | W198 C285 Q286 S287 | W198-D290 VanDerWaalsContact CZ3-O 3.3Å; W198-D290 WeakPolarHBondContact CZ3-O 3.27Å; C285-D290 WeakPolarHBondContact CA-OD2 3.27Å; C285-D290 HydrophobicContact CB-CB 3.78Å; C285-D290 VanDerWaalsContact SG-CB 3.57Å; Q286-D290 PolarHBondContact N-OD2 3.21Å; S287-D290 PolarHBondContact N-OD2 3.25Å; S287-D290 WeakPolarHBondContact O-CB 3.5Å; S287-D290 PolarHBondContact O-N 3.29Å; S287-D290 VanDerWaalsContact O-N 3.12Å | ||
| 291 | S | 98 | Very high | 97.7 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | trans | -146.9 | 147.4 | 167.8 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | W198 R201 S283 | W198-S291 CarbonylContact O-C 3.55Å; W198-S291 WeakPolarHBondContact O-CA 3.43Å; W198-S291 VanDerWaalsContact O-CB 3.29Å; W198-S291 WeakPolarHBondContact O-CB 3.35Å; R201-S291 PolarHBondContact NE-OG 3.41Å; R201-S291 PolarHBondContact NH2-OG 3.4Å; S283-S291 PolarHBondContact OG-O 3.27Å; S283-S291 VanDerWaalsContact OG-O 3.08Å | ||
| 292 | S | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.4 | 179.7 | -166.1 | 0 | 0 | 0 | 0 | 110.4 | W198 S282 S283 C285 | W198-S292 PolarHBondContact N-O 3.5Å; W198-S292 PolarHBondContact O-N 2.96Å; S282-S292 PolarHBondContact N-OG 2.99Å; S282-S292 WeakPolarHBondContact OG-CA 3.43Å; S282-S292 PolarHBondContact OG-OG 3.09Å; S283-S292 PolarHBondContact N-OG 2.73Å; S283-S292 VanDerWaalsContact N-OG 3.16Å; S283-S292 WeakPolarHBondContact O-CB 3.42Å; S283-S292 PolarHBondContact O-OG 3.04Å; C285-S292 VanDerWaalsContact SG-CB 3.59Å |
| 293 | V | 98.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134 | 161.8 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | D194 C196 F202 S282 Y295 | D194-V293 HydrophobicContact CB-CG1 3.91Å; C196-V293 CarbonylContact O-C 3.57Å; C196-V293 VanDerWaalsContact O-CA 3.25Å; C196-V293 WeakPolarHBondContact O-CA 3.41Å; F202-V293 HydrophobicContact CE2-CG2 4.12Å; F202-V293 HydrophobicContact CZ-CG2 3.86Å; S282-V293 WeakPolarHBondContact CB-O 3.41Å; S282-V293 PolarHBondContact N-O 2.94Å; S282-V293 PolarHBondContact OG-N 3.11Å; S282-V293 PolarHBondContact OG-O 3.29Å; V293-Y295 HydrophobicContact CB-CE1 3.97Å; V293-Y295 HydrophobicContact CG1-CD1 4.22Å; V293-Y295 HydrophobicContact CG1-CE1 3.51Å |
| 294 | S | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 152.9 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | F195 C196 D222 Y279 T280 | F195-S294 WeakPolarHBondContact CB-OG 3.45Å; F195-S294 PolarHBondContact N-O 2.7Å; C196-S294 WeakPolarHBondContact CB-OG 3.32Å; C196-S294 PolarHBondContact N-OG 2.86Å; C196-S294 PolarHBondContact O-N 3.16Å; D222-S294 WeakPolarHBondContact OD2-CB 3.37Å; D222-S294 PolarHBondContact OD2-OG 2.65Å; Y279-S294 VanDerWaalsContact OH-CB 3.25Å; Y279-S294 WeakPolarHBondContact OH-CB 3.32Å; T280-S294 WeakPolarHBondContact O-CA 3.48Å |
| 295 | Y | 98.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 139.2 | -174 | -47.4 | -61.2 | 0 | 0 | 0 | 109.2 | P52 A54 H58 D194 Y279 T280 V293 | P52-Y295 HydrophobicContact CB-CD1 3.76Å; P52-Y295 HydrophobicContact CB-CG 4.15Å; A54-Y295 HydrophobicContact CB-CD1 4.35Å; A54-Y295 HydrophobicContact CB-CE1 3.42Å; A54-Y295 VanDerWaalsContact CB-CE1 3.42Å; H58-Y295 HydrophobicContact CB-CE2 3.87Å; D194-Y295 HydrophobicContact CB-CD1 4.44Å; Y279-Y295 WeakPolarHBondContact CA-O 3.42Å; T280-Y295 HydrophobicContact CG2-CD2 3.99Å; T280-Y295 PolarHBondContact N-O 2.62Å; T280-Y295 PolarHBondContact O-N 2.82Å; V293-Y295 HydrophobicContact CB-CE1 3.97Å; V293-Y295 HydrophobicContact CG1-CD1 4.22Å; V293-Y295 HydrophobicContact CG1-CE1 3.51Å |
| 296 | A | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F195 L226 N278 Y279 | F195-A296 HydrophobicContact CD2-CB 3.95Å; F195-A296 HydrophobicContact CE2-CB 3.74Å; F195-A296 HydrophobicContact CG-CB 4.47Å; F195-A296 HydrophobicContact CZ-CB 4.08Å; L226-A296 HydrophobicContact CD1-CB 4.11Å; L226-A296 HydrophobicContact CD2-CB 3.75Å; L226-A296 HydrophobicContact CG-CB 4.46Å; N278-A296 WeakPolarHBondContact O-CA 3.38Å; Y279-A296 HydrophobicContact CD2-CB 4.28Å |
| 297 | A | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.6 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | I50 C62 H65 A66 L277 N278 | I50-A297 CarbonylContact O-C 3.56Å; I50-A297 VanDerWaalsContact O-CA 3.32Å; I50-A297 WeakPolarHBondContact O-CA 3.43Å; C62-A297 WeakPolarHBondContact O-CB 3.48Å; H65-A297 HydrophobicContact CB-CB 4.18Å; A66-A297 HydrophobicContact CB-CB 4.14Å; L277-A297 HydrophobicContact CB-CB 4.42Å; L277-A297 WeakPolarHBondContact CB-O 3.37Å; L277-A297 PolarHBondContact N-O 3.22Å; N278-A297 HydrophobicContact CB-CB 4.26Å; N278-A297 PolarHBondContact N-O 3.45Å; N278-A297 PolarHBondContact O-N 3.3Å |
| 298 | C | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.4 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | I49 I50 L274 K275 | I49-C298 CarbonylContact C-O 3.4Å; I49-C298 VanDerWaalsContact CA-O 3.22Å; I49-C298 WeakPolarHBondContact CA-O 3.47Å; I49-C298 WeakPolarHBondContact CB-O 3.02Å; I50-C298 HydrophobicContact CB-CB 4.03Å; I50-C298 HydrophobicContact CD1-CB 4.27Å; I50-C298 HydrophobicContact CG1-CB 4.3Å; I50-C298 PolarHBondContact N-O 3.17Å; I50-C298 PolarHBondContact O-N 3.02Å; L274-C298 HydrophobicContact CD1-CB 4.41Å; L274-C298 HydrophobicContact CD2-CB 3.93Å; L274-C298 HydrophobicContact CG-CB 4.2Å; K275-C298 CarbonylContact O-C 3.58Å; K275-C298 WeakPolarHBondContact O-CA 3.4Å; K275-C298 WeakPolarHBondContact O-CB 3.4Å |
| 299 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V46 A48 I49 L69 L274 K275 L277 V301 | V46-A299 HydrophobicContact CG1-CB 4.37Å; A48-A299 CarbonylContact O-C 3.58Å; A48-A299 WeakPolarHBondContact O-CA 3.38Å; I49-A299 HydrophobicContact CG2-CB 4.35Å; L69-A299 HydrophobicContact CD1-CB 3.88Å; L274-A299 CarbonylContact C-O 3.6Å; L274-A299 WeakPolarHBondContact CA-O 3.48Å; K275-A299 PolarHBondContact N-O 3.37Å; K275-A299 PolarHBondContact O-N 3.48Å; L277-A299 HydrophobicContact CD1-CB 3.78Å; A299-V301 HydrophobicContact CB-CG1 4.33Å |
| 300 | L | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.2 | 163.8 | -175.2 | 74.1 | 0 | 0 | 0 | 108.1 | R47 A48 L182 L232 L257 I261 L272 E273 L274 | R47-L300 HydrophobicContact CB-CD2 4.16Å; R47-L300 HydrophobicContact CB-CG 4.45Å; R47-L300 PolarHBondContact N-O 3.08Å; A48-L300 HydrophobicContact CB-CB 3.84Å; A48-L300 HydrophobicContact CB-CD2 4.04Å; A48-L300 PolarHBondContact N-O 3.09Å; A48-L300 PolarHBondContact O-N 3.37Å; L182-L300 HydrophobicContact CD1-CD2 4.3Å; L182-L300 HydrophobicContact CD2-CD2 4.32Å; L232-L300 HydrophobicContact CD1-CD1 3.91Å; L232-L300 HydrophobicContact CD2-CD1 3.89Å; L257-L300 HydrophobicContact CD1-CD2 4.37Å; I261-L300 HydrophobicContact CD1-CD1 3.75Å; I261-L300 HydrophobicContact CD1-CD2 3.69Å; I261-L300 HydrophobicContact CD1-CG 4.38Å; I261-L300 HydrophobicContact CG1-CD2 4.12Å; L272-L300 HydrophobicContact CB-CD1 4.15Å; L272-L300 HydrophobicContact CD2-CD2 4.19Å; L272-L300 HydrophobicContact CD2-CG 4.15Å; E273-L300 CarbonylContact O-C 3.52Å; E273-L300 WeakPolarHBondContact O-CA 3.46Å; L274-L300 HydrophobicContact CB-CD1 4.34Å |
| 301 | V | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 140.9 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | V40 L45 V46 L272 E273 K275 A299 | V40-V301 HydrophobicContact CG2-CG1 4.37Å; L45-V301 CarbonylContact O-C 3.58Å; L45-V301 VanDerWaalsContact O-CA 3.23Å; L45-V301 WeakPolarHBondContact O-CA 3.29Å; V46-V301 HydrophobicContact CG2-CG1 4.25Å; L272-V301 WeakPolarHBondContact CA-O 3.44Å; E273-V301 HydrophobicContact CB-CG2 4.23Å; E273-V301 PolarHBondContact N-O 2.9Å; E273-V301 PolarHBondContact O-N 3.18Å; K275-V301 HydrophobicContact CD-CG2 4.48Å; K275-V301 HydrophobicContact CG-CG2 4.48Å; A299-V301 HydrophobicContact CB-CG1 4.33Å |
| 302 | S | 91.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 28 Ų | 28 | 6% | 0.056 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132 | 160.7 | 53.7 | 0 | 0 | 0 | 0 | 108.4 | S44 L45 R47 N271 | S44-S302 WeakPolarHBondContact CA-O 3.4Å; L45-S302 PolarHBondContact N-O 3.31Å; L45-S302 PolarHBondContact O-N 2.8Å; R47-S302 WeakPolarHBondContact CD-OG 3.29Å; N271-S302 WeakPolarHBondContact OD1-CB 3.23Å |
| 303 | R | 82.2 | Confident | 93.6 | Very high | 139 Ų | 139 | 30.3 Ų | 30.3 | 53% | 0.525 | 13% | 0.134 | S | C | . | . | trans | -75.5 | 159.1 | 168.5 | -61.1 | -176.3 | -176.3 | -164.8 | -0.5 | 108.7 | N271 E273 | N271-R303 PolarHBondContact ND2-O 3.43Å; E273-R303 IonicContact OE1-NH2 3.98Å; E273-R303 IonicContact OE2-CZ 2.76Å; E273-R303 IonicContact OE2-NE 3.8Å; E273-R303 PolarHBondContact OE2-NE 3Å; E273-R303 IonicContact OE2-NH2 3.54Å; E273-R303 PolarHBondContact OE2-NH2 3.05Å | ||
| 304 | E | 67.2 | Low | 93.1 | Very high | 193 Ų | 193 | 31.9 Ų | 31.9 | 90% | 0.902 | 14% | 0.139 | S | C | * | . | trans | -78.2 | 0 | 162 | -84 | 172 | -179 | 0 | 0 | 109.9 | G43 | G43-E304 VanDerWaalsContact O-CG 3.3Å; G43-E304 WeakPolarHBondContact O-CG 3.3Å |
Retrieved 304 of 304 residues in 1091.1 ms
(Link to these results)