| 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 | 85.9 | Confident | 95.2 | Very high | 188 Ų | 188 | 80.1 Ų | 80.1 | 93% | 0.926 | 36% | 0.363 | S | S | * | . | 0 | -46.3 | 0 | -76.6 | -173.8 | -97.7 | 0 | 0 | 111.7 | L3 R4 R5 | M1-L3 PolarHBondContact O-N 3.35Å; M1-R4 PolarHBondContact O-N 3.3Å; M1-R4 VanDerWaalsContact O-N 3.15Å; M1-R5 PolarHBondContact O-N 3.22Å; M1-R5 VanDerWaalsContact O-N 3.15Å | |||
| 2 | A | 94.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 79.5 Ų | 79.5 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -46.2 | -54.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R4 R5 I6 F31 T58 Y60 | A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.34Å; A2-R5 WeakPolarHBondContact O-CA 3.43Å; A2-R5 WeakPolarHBondContact O-CB 3.42Å; A2-R5 PolarHBondContact O-N 3.39Å; A2-I6 WeakPolarHBondContact O-CG1 3.39Å; A2-I6 PolarHBondContact O-N 2.83Å; A2-F31 HydrophobicContact CB-CE1 3.9Å; A2-F31 HydrophobicContact CB-CZ 4.1Å; A2-T58 WeakPolarHBondContact CB-O 3.26Å; A2-Y60 WeakPolarHBondContact CA-O 3.46Å; A2-Y60 VanDerWaalsContact CB-O 3.25Å; A2-Y60 WeakPolarHBondContact CB-O 3.5Å |
| 3 | L | 95 | Very high | 94.9 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -55.2 | -45 | -179.9 | -170.2 | 66.6 | 0 | 0 | 0 | 113.1 | M1 R5 I6 S7 L30 F31 | M1-L3 PolarHBondContact O-N 3.35Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 2.78Å; L3-I6 PolarHBondContact O-N 3.17Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 2.86Å; L3-S7 PolarHBondContact O-OG 2.98Å; L3-L30 HydrophobicContact CD1-CB 3.8Å; L3-L30 HydrophobicContact CD1-CD1 3.53Å; L3-L30 HydrophobicContact CD1-CG 4.31Å; L3-L30 HydrophobicContact CG-CD1 4.5Å; L3-F31 HydrophobicContact CD1-CE2 3.98Å |
| 4 | R | 96.1 | Very high | 94.6 | Very high | 216 Ų | 216 | 82.1 Ų | 82.1 | 82% | 0.815 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61 | -40 | 177.2 | -71.4 | -174.5 | -178.5 | 173.8 | 0.1 | 111.5 | M1 A2 K8 | M1-R4 PolarHBondContact O-N 3.3Å; M1-R4 VanDerWaalsContact O-N 3.15Å; A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.34Å; R4-K8 WeakPolarHBondContact O-CB 3.33Å; R4-K8 PolarHBondContact O-N 3.46Å |
| 5 | R | 97.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 86.8 Ų | 86.8 | 21% | 0.208 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.7 | -47.8 | 177.5 | 174.4 | 61.9 | -173.9 | -94.3 | -14 | 111.3 | M1 A2 L3 S7 K8 E9 Y60 P61 P95 L97 | M1-R5 PolarHBondContact O-N 3.22Å; M1-R5 VanDerWaalsContact O-N 3.15Å; A2-R5 WeakPolarHBondContact O-CA 3.43Å; A2-R5 WeakPolarHBondContact O-CB 3.42Å; A2-R5 PolarHBondContact O-N 3.39Å; L3-R5 VanDerWaalsContact C-N 3.29Å; L3-R5 PolarHBondContact O-N 2.78Å; R5-S7 PolarHBondContact O-N 2.86Å; R5-K8 WeakPolarHBondContact O-CB 3.5Å; R5-K8 PolarHBondContact O-N 3.02Å; R5-E9 IonicContact CZ-OE1 3.6Å; R5-E9 IonicContact NE-OE1 2.86Å; R5-E9 PolarHBondContact NE-OE1 3.15Å; R5-E9 IonicContact NH2-OE1 2.69Å; R5-E9 PolarHBondContact NH2-OE1 3.15Å; R5-E9 PolarHBondContact O-N 2.92Å; R5-Y60 HydrophobicContact CB-CD1 4.39Å; R5-Y60 HydrophobicContact CG-CD1 3.82Å; R5-Y60 HydrophobicContact CG-CE1 3.56Å; R5-P61 HydrophobicContact CG-CB 4.29Å; R5-P61 HydrophobicContact CG-CG 4.16Å; R5-P95 PolarHBondContact NH1-O 2.95Å; R5-P95 PolarHBondContact NH2-O 2.89Å; R5-L97 PolarHBondContact NH2-O 2.93Å |
| 6 | I | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 177.4 | -66.9 | 170.2 | 0 | 0 | 0 | 110.6 | A2 L3 K8 E9 L10 L30 F31 W33 F56 Y60 | A2-I6 WeakPolarHBondContact O-CG1 3.39Å; A2-I6 PolarHBondContact O-N 2.83Å; L3-I6 PolarHBondContact O-N 3.17Å; I6-K8 VanDerWaalsContact C-N 3.27Å; I6-K8 PolarHBondContact O-N 3.08Å; I6-E9 PolarHBondContact O-N 2.82Å; I6-L10 PolarHBondContact O-N 2.79Å; I6-L30 HydrophobicContact CG2-CB 4.45Å; I6-L30 VanDerWaalsContact CG2-O 3.23Å; I6-L30 WeakPolarHBondContact CG2-O 3.37Å; I6-F31 HydrophobicContact CD1-CD1 3.67Å; I6-F31 HydrophobicContact CD1-CE1 3.66Å; I6-F31 HydrophobicContact CD1-CG 4.15Å; I6-F31 HydrophobicContact CD1-CZ 4.14Å; I6-W33 HydrophobicContact CG2-CZ2 3.6Å; I6-F56 HydrophobicContact CD1-CB 3.74Å; I6-F56 HydrophobicContact CD1-CD1 4.01Å; I6-F56 HydrophobicContact CD1-CD2 4.28Å; I6-F56 HydrophobicContact CD1-CG 3.75Å; I6-F56 HydrophobicContact CG1-CD1 3.88Å; I6-F56 HydrophobicContact CG1-CE1 4.16Å; I6-F56 HydrophobicContact CG1-CG 4.11Å; I6-Y60 HydrophobicContact CD1-CD1 4.44Å; I6-Y60 HydrophobicContact CG1-CD1 3.75Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å |
| 7 | S | 96 | Very high | 93.5 | Very high | 39 Ų | 39 | 88.8 Ų | 88.8 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | L3 R5 K11 | L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 2.86Å; L3-S7 PolarHBondContact O-OG 2.98Å; R5-S7 PolarHBondContact O-N 2.86Å; S7-K11 WeakPolarHBondContact O-CG 3.37Å; S7-K11 PolarHBondContact O-N 2.87Å |
| 8 | K | 96.4 | Very high | 92.9 | Very high | 127 Ų | 127 | 84.7 Ų | 84.7 | 55% | 0.552 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.6 | -51.6 | 173 | -179.8 | -179.7 | 175.4 | 179.2 | 0 | 110.4 | R4 R5 I6 L10 K11 D12 | R4-K8 WeakPolarHBondContact O-CB 3.33Å; R4-K8 PolarHBondContact O-N 3.46Å; R5-K8 WeakPolarHBondContact O-CB 3.5Å; R5-K8 PolarHBondContact O-N 3.02Å; I6-K8 VanDerWaalsContact C-N 3.27Å; I6-K8 PolarHBondContact O-N 3.08Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.85Å; K8-K11 WeakPolarHBondContact O-CB 3.38Å; K8-K11 PolarHBondContact O-N 3.5Å; K8-D12 VanDerWaalsContact O-CG 3.3Å; K8-D12 PolarHBondContact O-N 3.26Å |
| 9 | E | 96.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 86.6 Ų | 86.6 | 2% | 0.019 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62 | -34.5 | 180 | -70.9 | -166.2 | -134 | 0 | 0 | 113.1 | R5 I6 K11 D12 L13 W33 Y60 T98 I99 | R5-E9 IonicContact CZ-OE1 3.6Å; R5-E9 IonicContact NE-OE1 2.86Å; R5-E9 PolarHBondContact NE-OE1 3.15Å; R5-E9 IonicContact NH2-OE1 2.69Å; R5-E9 PolarHBondContact NH2-OE1 3.15Å; R5-E9 PolarHBondContact O-N 2.92Å; I6-E9 PolarHBondContact O-N 2.82Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.91Å; E9-D12 PolarHBondContact O-N 3.34Å; E9-L13 WeakPolarHBondContact O-CB 3.38Å; E9-L13 PolarHBondContact O-N 3.23Å; E9-W33 HydrophobicContact CB-CH2 4.48Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.48Å; E9-Y60 PolarHBondContact OE1-OH 2.74Å; E9-Y60 PolarHBondContact OE2-OH 2.73Å; E9-T98 WeakPolarHBondContact OE2-CA 3.45Å; E9-T98 WeakPolarHBondContact OE2-CB 3.25Å; E9-I99 WeakPolarHBondContact OE2-CG1 3.35Å; E9-I99 PolarHBondContact OE2-N 2.93Å |
| 10 | L | 96 | Very high | 91.9 | Very high | 14 Ų | 14 | 86.7 Ų | 86.7 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 173.6 | -176.6 | 58.4 | 0 | 0 | 0 | 112 | I6 K8 R14 P25 L30 W33 | I6-L10 PolarHBondContact O-N 2.79Å; K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.85Å; L10-R14 VanDerWaalsContact O-CG 3.26Å; L10-R14 WeakPolarHBondContact O-CG 3.13Å; L10-R14 PolarHBondContact O-N 2.88Å; L10-R14 VanDerWaalsContact O-N 3.17Å; L10-P25 HydrophobicContact CD2-CG 4.06Å; L10-L30 HydrophobicContact CD2-CD2 4.21Å; L10-W33 HydrophobicContact CB-CH2 3.8Å; L10-W33 HydrophobicContact CB-CZ2 3.73Å; L10-W33 HydrophobicContact CD1-CH2 4.08Å; L10-W33 HydrophobicContact CD1-CZ2 4.1Å; L10-W33 HydrophobicContact CG-CZ2 4.34Å |
| 11 | K | 95.5 | Very high | 92 | Very high | 149 Ų | 149 | 82.8 Ų | 82.8 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.6 | -44.5 | 175.3 | -71.9 | 175.7 | -178 | -173.2 | 0 | 110.9 | S7 K8 E9 R14 L15 | S7-K11 WeakPolarHBondContact O-CG 3.37Å; S7-K11 PolarHBondContact O-N 2.87Å; K8-K11 WeakPolarHBondContact O-CB 3.38Å; K8-K11 PolarHBondContact O-N 3.5Å; E9-K11 VanDerWaalsContact C-N 3.32Å; E9-K11 PolarHBondContact O-N 2.91Å; K11-R14 PolarHBondContact O-N 3.34Å; K11-L15 WeakPolarHBondContact O-CB 3.2Å; K11-L15 PolarHBondContact O-N 3.38Å |
| 12 | D | 94.1 | Very high | 92.4 | Very high | 73 Ų | 73 | 76.8 Ų | 76.8 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | -179.9 | -62.1 | -15 | 0 | 0 | 0 | 110.5 | K8 E9 R14 L15 D16 | K8-D12 VanDerWaalsContact O-CG 3.3Å; K8-D12 PolarHBondContact O-N 3.26Å; E9-D12 PolarHBondContact O-N 3.34Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3.33Å; D12-L15 PolarHBondContact O-N 3.06Å; D12-D16 PolarHBondContact O-N 3.26Å |
| 13 | L | 93 | Very high | 92.4 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62 | -33.7 | 174.9 | -88.1 | 163.2 | 0 | 0 | 0 | 113.9 | E9 P17 P18 A23 W33 I99 | E9-L13 WeakPolarHBondContact O-CB 3.38Å; E9-L13 PolarHBondContact O-N 3.23Å; L13-P17 VanDerWaalsContact O-CA 3.31Å; L13-P17 WeakPolarHBondContact O-CA 3.25Å; L13-P18 HydrophobicContact CD2-CG 4.17Å; L13-A23 HydrophobicContact CD1-CB 4.49Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.47Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.47Å; L13-I99 HydrophobicContact CD1-CB 4.19Å; L13-I99 HydrophobicContact CD1-CG2 4.03Å |
| 14 | R | 90.3 | Very high | 92.5 | Very high | 185 Ų | 185 | 74.6 Ų | 74.6 | 70% | 0.698 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -75.2 | -31.5 | 176.4 | -75.7 | 174 | -179.1 | -172.2 | 0.4 | 112.3 | L10 K11 D12 | L10-R14 VanDerWaalsContact O-CG 3.26Å; L10-R14 WeakPolarHBondContact O-CG 3.13Å; L10-R14 PolarHBondContact O-N 2.88Å; L10-R14 VanDerWaalsContact O-N 3.17Å; K11-R14 PolarHBondContact O-N 3.34Å; D12-R14 VanDerWaalsContact C-N 3.32Å; D12-R14 PolarHBondContact O-N 3.33Å |
| 15 | L | 91.9 | Very high | 92.5 | Very high | 152 Ų | 152 | 66 Ų | 66 | 80% | 0.796 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76.4 | -40.6 | -180 | -172.6 | 69.1 | 0 | 0 | 0 | 111.2 | K11 D12 | K11-L15 WeakPolarHBondContact O-CB 3.2Å; K11-L15 PolarHBondContact O-N 3.38Å; D12-L15 PolarHBondContact O-N 3.06Å |
| 16 | D | 89.6 | Confident | 92.4 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -139 | 79.9 | -177 | -170.7 | 25.8 | 0 | 0 | 0 | 110.4 | D12 | D12-D16 PolarHBondContact O-N 3.26Š|
| 17 | P | 83.7 | Confident | 92.2 | Very high | 80 Ų | 80 | 75.3 Ų | 75.3 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 133.4 | -179.1 | 27.5 | -32.8 | 0 | 0 | 0 | 110.7 | L13 | L13-P17 VanDerWaalsContact O-CA 3.31Å; L13-P17 WeakPolarHBondContact O-CA 3.25Å |
| 18 | P | 83.3 | Confident | 91.9 | Very high | 15 Ų | 15 | 81.1 Ų | 81.1 | 10% | 0.097 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 141.7 | 176.9 | 22.1 | -28.6 | 0 | 0 | 0 | 110.8 | L13 Q20 C21 L104 | L13-P18 HydrophobicContact CD2-CG 4.17Å; P18-Q20 PolarHBondContact O-N 3.48Å; P18-C21 HydrophobicContact CB-CB 4.43Å; P18-C21 HydrophobicContact CG-CB 4.07Å; P18-C21 WeakPolarHBondContact CG-O 3.13Å; P18-C21 PolarHBondContact O-N 3.03Å; P18-C21 VanDerWaalsContact O-N 3.15Å; P18-L104 HydrophobicContact CB-CD1 4.33Å; P18-L104 HydrophobicContact CB-CD2 3.71Å; P18-L104 HydrophobicContact CB-CG 3.93Å |
| 19 | T | 81.6 | Confident | 91.9 | Very high | 122 Ų | 122 | 78.9 Ų | 78.9 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 130.4 | 177.7 | -22.5 | 0 | 0 | 0 | 0 | 108.7 | C21 | T19-C21 PolarHBondContact O-N 2.75Å; T19-C21 PolarHBondContact O-SG 2.84Å |
| 20 | Q | 84.7 | Confident | 91.8 | Very high | 87 Ų | 87 | 81.2 Ų | 81.2 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -11.1 | -177.5 | -59.4 | 175.8 | -20 | 0 | 0 | 117.4 | P18 M38 | P18-Q20 PolarHBondContact O-N 3.48Å; Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.48Å; Q20-M38 HydrophobicContact CG-CB 4.3Å; Q20-M38 WeakPolarHBondContact O-CG 3.23Å; Q20-M38 PolarHBondContact O-N 2.82Å |
| 21 | C | 93.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 83.4 Ų | 83.4 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.9 | -173.5 | -26.2 | 0 | 0 | 0 | 0 | 109.2 | P18 T19 T36 I37 L103 C107 | P18-C21 HydrophobicContact CB-CB 4.43Å; P18-C21 HydrophobicContact CG-CB 4.07Å; P18-C21 WeakPolarHBondContact CG-O 3.13Å; P18-C21 PolarHBondContact O-N 3.03Å; P18-C21 VanDerWaalsContact O-N 3.15Å; T19-C21 PolarHBondContact O-N 2.75Å; T19-C21 PolarHBondContact O-SG 2.84Å; C21-T36 CarbonylContact C-O 3.54Å; C21-T36 WeakPolarHBondContact CA-O 3.47Å; C21-I37 HydrophobicContact CB-CG1 4.2Å; C21-L103 HydrophobicContact CB-CB 4.06Å; C21-C107 WeakPolarHBondContact CB-SG 3.44Å; C21-C107 WeakPolarHBondContact SG-CB 3.37Å; C21-C107 CovalentContact SG-SG 2.11Å; C21-C107 PolarHBondContact SG-SG 2.92Å |
| 22 | S | 93.5 | Very high | 92 | Very high | 62 Ų | 62 | 77 Ų | 77 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.1 | 176.3 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | A35 T36 | S22-A35 CarbonylContact O-C 3.31Å; S22-A35 WeakPolarHBondContact O-CA 3.48Å; S22-A35 VanDerWaalsContact O-CB 3.26Å; S22-A35 WeakPolarHBondContact O-CB 3.49Å; S22-T36 PolarHBondContact N-O 2.85Å; S22-T36 PolarHBondContact O-N 2.88Å |
| 23 | A | 96.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 20% | 0.198 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 153.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L13 W33 Q34 A35 I54 I99 L103 | L13-A23 HydrophobicContact CD1-CB 4.49Å; A23-W33 HydrophobicContact CB-CE3 3.99Å; A23-W33 HydrophobicContact CB-CZ3 4.41Å; A23-Q34 CarbonylContact C-O 3.56Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; A23-A35 HydrophobicContact CB-CB 3.73Å; A23-I54 HydrophobicContact CB-CD1 4.43Å; A23-I99 HydrophobicContact CB-CG2 4.48Å; A23-L103 HydrophobicContact CB-CD1 3.86Å |
| 24 | G | 95.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 76.9 Ų | 76.9 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 168.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | W33 Q34 | G24-W33 CarbonylContact O-C 3.56Å; G24-W33 WeakPolarHBondContact O-CA 3.36Å; G24-W33 WeakPolarHBondContact O-CB 3.48Å; G24-Q34 PolarHBondContact N-O 2.93Å; G24-Q34 PolarHBondContact O-N 2.59Å |
| 25 | P | 97.2 | Very high | 92.8 | Very high | 37 Ų | 37 | 68 Ų | 68 | 24% | 0.24 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 145.6 | -178.7 | 27.5 | -35 | 0 | 0 | 0 | 112.6 | L10 K27 D29 L30 A32 W33 | L10-P25 HydrophobicContact CD2-CG 4.06Å; P25-K27 PolarHBondContact O-N 3.43Å; P25-D29 WeakPolarHBondContact CB-O 3.46Å; P25-L30 HydrophobicContact CB-CD2 4.19Å; P25-L30 HydrophobicContact CG-CD2 4.21Å; P25-A32 CarbonylContact C-O 3.58Å; P25-A32 WeakPolarHBondContact CA-O 3.26Å; P25-W33 VanDerWaalsContact CA-CD1 3.41Å |
| 26 | I | 95.3 | Very high | 93 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.7 | 172.7 | -61.5 | 169.9 | 0 | 0 | 0 | 107.2 | D28 D29 A32 Q34 | I26-D28 PolarHBondContact O-N 2.91Å; I26-D29 PolarHBondContact O-N 2.79Å; I26-A32 HydrophobicContact CD1-CB 4.44Å; I26-A32 PolarHBondContact N-O 2.83Å; I26-Q34 HydrophobicContact CD1-CB 4.27Å; I26-Q34 HydrophobicContact CG1-CB 3.97Å |
| 27 | K | 91.6 | Very high | 93.3 | Very high | 187 Ų | 187 | 56.1 Ų | 56.1 | 81% | 0.813 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -124.4 | -176.4 | -53.6 | 174.8 | -179.1 | 176.5 | 0 | 110.4 | P25 | P25-K27 PolarHBondContact O-N 3.43Š|
| 28 | D | 91.1 | Very high | 93.9 | Very high | 162 Ų | 162 | 56 Ų | 56 | 87% | 0.866 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.4 | -177 | -55.3 | -47.5 | 0 | 0 | 0 | 113.1 | I26 L30 | I26-D28 PolarHBondContact O-N 2.91Å; D28-L30 PolarHBondContact O-N 3.23Å |
| 29 | D | 94.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 55.6 Ų | 55.6 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 105.5 | 179.6 | -171.2 | -2.8 | 0 | 0 | 0 | 111 | P25 I26 F31 A32 | P25-D29 WeakPolarHBondContact CB-O 3.46Å; I26-D29 PolarHBondContact O-N 2.79Å; D29-F31 PolarHBondContact O-N 3.5Å; D29-F31 WeakPolarHBondContact OD1-CB 3.49Å; D29-F31 PolarHBondContact OD1-N 2.87Å; D29-A32 HydrophobicContact CB-CB 4.17Å; D29-A32 PolarHBondContact O-N 3.03Å; D29-A32 WeakPolarHBondContact OD2-CB 3.15Å |
| 30 | L | 95.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 50 Ų | 50 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | -17.6 | 176.9 | -72.4 | 171.5 | 0 | 0 | 0 | 113.3 | L3 I6 L10 P25 D28 W33 | L3-L30 HydrophobicContact CD1-CB 3.8Å; L3-L30 HydrophobicContact CD1-CD1 3.53Å; L3-L30 HydrophobicContact CD1-CG 4.31Å; L3-L30 HydrophobicContact CG-CD1 4.5Å; I6-L30 HydrophobicContact CG2-CB 4.45Å; I6-L30 VanDerWaalsContact CG2-O 3.23Å; I6-L30 WeakPolarHBondContact CG2-O 3.37Å; L10-L30 HydrophobicContact CD2-CD2 4.21Å; P25-L30 HydrophobicContact CB-CD2 4.19Å; P25-L30 HydrophobicContact CG-CD2 4.21Å; D28-L30 PolarHBondContact O-N 3.23Å; L30-W33 PolarHBondContact O-NE1 3.43Å |
| 31 | F | 97.7 | Very high | 95.8 | Very high | 61 Ų | 61 | 48.4 Ų | 48.4 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -5.4 | 177.9 | -72.3 | -97.7 | 0 | 0 | 0 | 113.6 | A2 L3 I6 D29 F56 | A2-F31 HydrophobicContact CB-CE1 3.9Å; A2-F31 HydrophobicContact CB-CZ 4.1Å; L3-F31 HydrophobicContact CD1-CE2 3.98Å; I6-F31 HydrophobicContact CD1-CD1 3.67Å; I6-F31 HydrophobicContact CD1-CE1 3.66Å; I6-F31 HydrophobicContact CD1-CG 4.15Å; I6-F31 HydrophobicContact CD1-CZ 4.14Å; D29-F31 PolarHBondContact O-N 3.5Å; D29-F31 WeakPolarHBondContact OD1-CB 3.49Å; D29-F31 PolarHBondContact OD1-N 2.87Å; F31-F56 HydrophobicContact CB-CB 4.39Å; F31-F56 HydrophobicContact CD1-CB 3.82Å; F31-F56 WeakPolarHBondContact O-CD2 3.43Å; F31-F56 PolarHBondContact O-N 2.87Å |
| 32 | A | 98.2 | Very high | 95.8 | Very high | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 115 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P25 I26 D29 I54 | P25-A32 CarbonylContact C-O 3.58Å; P25-A32 WeakPolarHBondContact CA-O 3.26Å; I26-A32 HydrophobicContact CD1-CB 4.44Å; I26-A32 PolarHBondContact N-O 2.83Å; D29-A32 HydrophobicContact CB-CB 4.17Å; D29-A32 PolarHBondContact O-N 3.03Å; D29-A32 WeakPolarHBondContact OD2-CB 3.15Å; A32-I54 CarbonylContact C-O 3.6Å; A32-I54 WeakPolarHBondContact CA-O 3.19Å |
| 33 | W | 98 | Very high | 96 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.7 | -179.9 | -72.9 | 24.3 | 0 | 0 | 0 | 110.9 | I6 E9 L10 L13 A23 G24 P25 L30 I54 F56 I99 | I6-W33 HydrophobicContact CG2-CZ2 3.6Å; E9-W33 HydrophobicContact CB-CH2 4.48Å; L10-W33 HydrophobicContact CB-CH2 3.8Å; L10-W33 HydrophobicContact CB-CZ2 3.73Å; L10-W33 HydrophobicContact CD1-CH2 4.08Å; L10-W33 HydrophobicContact CD1-CZ2 4.1Å; L10-W33 HydrophobicContact CG-CZ2 4.34Å; L13-W33 HydrophobicContact CD1-CH2 4.04Å; L13-W33 HydrophobicContact CD1-CZ3 3.47Å; L13-W33 VanDerWaalsContact CD1-CZ3 3.47Å; A23-W33 HydrophobicContact CB-CE3 3.99Å; A23-W33 HydrophobicContact CB-CZ3 4.41Å; G24-W33 CarbonylContact O-C 3.56Å; G24-W33 WeakPolarHBondContact O-CA 3.36Å; G24-W33 WeakPolarHBondContact O-CB 3.48Å; P25-W33 VanDerWaalsContact CA-CD1 3.41Å; L30-W33 PolarHBondContact O-NE1 3.43Å; W33-I54 HydrophobicContact CB-CB 4.01Å; W33-I54 PolarHBondContact N-O 2.86Å; W33-I54 PolarHBondContact O-N 3.06Å; W33-F56 HydrophobicContact CB-CE2 4.15Å; W33-F56 AromaticContact CD1-CE2 3.63Å; W33-F56 AromaticContact CD2-CE2 3.58Å; W33-F56 HydrophobicContact CD2-CE2 3.58Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.68Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.12Å; W33-F56 AromaticContact CE3-CZ 3.98Å; W33-F56 HydrophobicContact CE3-CZ 3.98Å; W33-F56 AromaticContact CG-CE2 3.58Å; W33-F56 HydrophobicContact CG-CE2 3.58Å; W33-F56 HydrophobicContact CG-CZ 4.33Å; W33-F56 HydrophobicContact CH2-CZ 4.27Å; W33-F56 HydrophobicContact CZ2-CE2 4.32Å; W33-F56 HydrophobicContact CZ2-CZ 4.15Å; W33-F56 HydrophobicContact CZ3-CZ 4.17Å; W33-F56 AromaticContact NE1-CE2 3.68Å; W33-I99 HydrophobicContact CE3-CG2 4.37Å; W33-I99 HydrophobicContact CZ3-CB 4.36Å; W33-I99 HydrophobicContact CZ3-CG1 4.32Å; W33-I99 HydrophobicContact CZ3-CG2 4.09Å |
| 34 | Q | 98 | Very high | 96 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.2 | 163.2 | -175.9 | 172.7 | 67.4 | 0 | 0 | 108.3 | A23 G24 I26 L52 | A23-Q34 CarbonylContact C-O 3.56Å; A23-Q34 VanDerWaalsContact CA-O 3.25Å; A23-Q34 WeakPolarHBondContact CA-O 3.37Å; G24-Q34 PolarHBondContact N-O 2.93Å; G24-Q34 PolarHBondContact O-N 2.59Å; I26-Q34 HydrophobicContact CD1-CB 4.27Å; I26-Q34 HydrophobicContact CG1-CB 3.97Å; Q34-L52 CarbonylContact C-O 3.52Å; Q34-L52 WeakPolarHBondContact CA-O 3.46Å |
| 35 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S22 A23 F51 L52 I54 L103 | S22-A35 CarbonylContact O-C 3.31Å; S22-A35 WeakPolarHBondContact O-CA 3.48Å; S22-A35 VanDerWaalsContact O-CB 3.26Å; S22-A35 WeakPolarHBondContact O-CB 3.49Å; A23-A35 HydrophobicContact CB-CB 3.73Å; A35-F51 CarbonylContact O-C 3.29Å; A35-F51 WeakPolarHBondContact O-CA 3.49Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.1Å; A35-L52 PolarHBondContact O-N 3.21Å; A35-I54 HydrophobicContact CB-CD1 3.76Å; A35-I54 HydrophobicContact CB-CG1 4.45Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.8Å |
| 36 | T | 96.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.3 | 174.7 | -53.7 | 0 | 0 | 0 | 0 | 108.3 | C21 S22 I49 F50 F51 | C21-T36 CarbonylContact C-O 3.54Å; C21-T36 WeakPolarHBondContact CA-O 3.47Å; S22-T36 PolarHBondContact N-O 2.85Å; S22-T36 PolarHBondContact O-N 2.88Å; T36-I49 HydrophobicContact CG2-CG2 3.32Å; T36-F50 CarbonylContact C-O 3.57Å; T36-F50 WeakPolarHBondContact CA-O 3.26Å; T36-F51 HydrophobicContact CG2-CE1 4.39Å |
| 37 | I | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.6 | 172.1 | -67.7 | 177.7 | 0 | 0 | 0 | 107.6 | C21 F50 L52 L103 I106 C107 L110 | C21-I37 HydrophobicContact CB-CG1 4.2Å; I37-F50 PolarHBondContact N-O 3.37Å; I37-F50 PolarHBondContact O-N 2.99Å; I37-L52 HydrophobicContact CB-CD1 4.17Å; I37-L52 HydrophobicContact CD1-CD1 3.74Å; I37-L52 HydrophobicContact CD1-CD2 4.06Å; I37-L52 HydrophobicContact CG1-CD1 3.83Å; I37-L103 HydrophobicContact CD1-CD2 4.26Å; I37-I106 HydrophobicContact CD1-CB 4Å; I37-I106 HydrophobicContact CD1-CG2 3.56Å; I37-C107 VanDerWaalsContact CG1-SG 3.56Å; I37-C107 HydrophobicContact CG2-CB 4.47Å; I37-C107 WeakPolarHBondContact CG2-SG 3.28Å; I37-L110 HydrophobicContact CG2-CD1 3.91Å |
| 38 | M | 96.5 | Very high | 96.4 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 38% | 0.384 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.6 | 167 | -55 | -61.7 | -64.7 | 0 | 0 | 108.2 | Q20 I49 | Q20-M38 HydrophobicContact CB-CB 3.95Å; Q20-M38 HydrophobicContact CB-CG 4.48Å; Q20-M38 HydrophobicContact CG-CB 4.3Å; Q20-M38 WeakPolarHBondContact O-CG 3.23Å; Q20-M38 PolarHBondContact O-N 2.82Å; M38-I49 HydrophobicContact CE-CD1 4.28Å; M38-I49 HydrophobicContact CE-CG1 3.89Å; M38-I49 HydrophobicContact SD-CD1 4.34Å; M38-I49 HydrophobicContact SD-CG1 3.9Å; M38-I49 HydrophobicContact SD-CG2 4.45Å |
| 39 | G | 97 | Very high | 96.7 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 6% | 0.062 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 126.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y45 G48 | G39-Y45 VanDerWaalsContact CA-O 3.31Å; G39-Y45 WeakPolarHBondContact CA-O 3.33Å; G39-G48 PolarHBondContact N-O 3.19Å |
| 40 | P | 96.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 145.9 | -179.5 | -25.2 | 34.1 | 0 | 0 | 0 | 112 | S43 E46 L110 T111 | P40-S43 WeakPolarHBondContact O-CB 3.24Å; P40-S43 PolarHBondContact O-OG 2.79Å; P40-E46 WeakPolarHBondContact O-CA 3.4Å; P40-E46 WeakPolarHBondContact O-CB 3.47Å; P40-L110 HydrophobicContact CG-CB 4.11Å; P40-T111 WeakPolarHBondContact CB-OG1 3.36Å |
| 41 | A | 94.5 | Very high | 97 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 44% | 0.438 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 155.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S43 E46 | A41-S43 PolarHBondContact O-N 2.73Å; A41-S43 VanDerWaalsContact O-N 3.15Å; A41-E46 WeakPolarHBondContact CA-OE2 3.36Å |
| 42 | D | 94 | Very high | 97.1 | Very high | 164 Ų | 164 | 35.4 Ų | 35.4 | 88% | 0.877 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 23.9 | -178.2 | -58.4 | -52.8 | 0 | 0 | 0 | 113.2 | E46 | D42-E46 PolarHBondContact N-OE2 3.3Š|
| 43 | S | 96.6 | Very high | 97 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -123.2 | 158.5 | 176.4 | 86.9 | 0 | 0 | 0 | 0 | 110.4 | P40 A41 Y45 E46 | P40-S43 WeakPolarHBondContact O-CB 3.24Å; P40-S43 PolarHBondContact O-OG 2.79Å; A41-S43 PolarHBondContact O-N 2.73Å; A41-S43 VanDerWaalsContact O-N 3.15Å; S43-Y45 PolarHBondContact O-N 2.69Å; S43-Y45 WeakPolarHBondContact OG-CB 3.34Å; S43-Y45 PolarHBondContact OG-N 2.97Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; S43-E46 WeakPolarHBondContact O-CB 3.32Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 VanDerWaalsContact O-N 3.13Å; S43-E46 PolarHBondContact OG-N 3.17Å |
| 44 | P | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -3.8 | 173 | 30.5 | -36.3 | 0 | 0 | 0 | 113.3 | Y134 D135 A138 R139 T142 | P44-Y134 HydrophobicContact CG-CE1 4.24Å; P44-D135 HydrophobicContact CB-CB 4.38Å; P44-A138 HydrophobicContact CB-CB 3.56Å; P44-A138 HydrophobicContact CG-CB 3.73Å; P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.48Å; P44-R139 WeakPolarHBondContact O-CG 3.37Å; P44-T142 PolarHBondContact O-OG1 3.47Å |
| 45 | Y | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -10.1 | 177.7 | -48.9 | -64.7 | 0 | 0 | 0 | 113 | G39 S43 G47 G48 F50 I73 Y74 H75 L110 Y134 A138 T142 | G39-Y45 VanDerWaalsContact CA-O 3.31Å; G39-Y45 WeakPolarHBondContact CA-O 3.33Å; S43-Y45 PolarHBondContact O-N 2.69Å; S43-Y45 WeakPolarHBondContact OG-CB 3.34Å; S43-Y45 PolarHBondContact OG-N 2.97Å; S43-Y45 VanDerWaalsContact OG-N 3.12Å; Y45-G47 PolarHBondContact O-N 3.18Å; Y45-G48 PolarHBondContact O-N 3.34Å; Y45-F50 AromaticContact CD1-CZ 3.96Å; Y45-F50 HydrophobicContact CD1-CZ 3.96Å; Y45-F50 HydrophobicContact CG-CZ 4.37Å; Y45-I73 HydrophobicContact CD1-CD1 3.83Å; Y45-I73 HydrophobicContact CD1-CG1 4.01Å; Y45-I73 HydrophobicContact CE1-CD1 3.68Å; Y45-I73 HydrophobicContact CE1-CG1 3.61Å; Y45-Y74 PolarHBondContact OH-O 3.43Å; Y45-H75 AromaticContact CZ-CD2 3.85Å; Y45-H75 PolarHBondContact OH-CD2 2.82Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CE2-CB 4.24Å; Y45-L110 HydrophobicContact CE2-CD2 4.46Å; Y45-L110 WeakPolarHBondContact CE2-O 3.43Å; Y45-Y134 PolarHBondContact OH-OH 2.84Å; Y45-A138 HydrophobicContact CE1-CB 4.12Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.07Å; Y45-T142 WeakPolarHBondContact O-CG2 3.48Å |
| 46 | E | 96.8 | Very high | 97.1 | Very high | 109 Ų | 109 | 38.2 Ų | 38.2 | 51% | 0.509 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 135 | -177 | -173.7 | 175.1 | 155.7 | 0 | 0 | 112.3 | P40 A41 D42 S43 G48 | P40-E46 WeakPolarHBondContact O-CA 3.4Å; P40-E46 WeakPolarHBondContact O-CB 3.47Å; A41-E46 WeakPolarHBondContact CA-OE2 3.36Å; D42-E46 PolarHBondContact N-OE2 3.3Å; S43-E46 WeakPolarHBondContact O-CB 3.32Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-E46 VanDerWaalsContact O-N 3.13Å; S43-E46 PolarHBondContact OG-N 3.17Å; E46-G48 PolarHBondContact O-N 2.95Å |
| 47 | G | 95.8 | Very high | 97.2 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -11.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y45 | Y45-G47 PolarHBondContact O-N 3.18Š|
| 48 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -75.7 | 150.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | G39 Y45 E46 | G39-G48 PolarHBondContact N-O 3.19Å; Y45-G48 PolarHBondContact O-N 3.34Å; E46-G48 PolarHBondContact O-N 2.95Å | ||
| 49 | I | 97.5 | Very high | 97.1 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.4 | 171.8 | -54.2 | -176 | 0 | 0 | 0 | 108.4 | T36 M38 F51 A146 | T36-I49 HydrophobicContact CG2-CG2 3.32Å; M38-I49 HydrophobicContact CE-CD1 4.28Å; M38-I49 HydrophobicContact CE-CG1 3.89Å; M38-I49 HydrophobicContact SD-CD1 4.34Å; M38-I49 HydrophobicContact SD-CG1 3.9Å; M38-I49 HydrophobicContact SD-CG2 4.45Å; I49-F51 HydrophobicContact CG2-CE1 4.42Å; I49-F51 HydrophobicContact CG2-CE2 4.29Å; I49-F51 HydrophobicContact CG2-CZ 4.03Å; I49-A146 PolarHBondContact N-O 2.73Å |
| 50 | F | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.5 | -177.9 | -58.8 | -87.9 | 0 | 0 | 0 | 110.2 | T36 I37 Y45 L52 F69 T71 I73 T142 A146 | T36-F50 CarbonylContact C-O 3.57Å; T36-F50 WeakPolarHBondContact CA-O 3.26Å; I37-F50 PolarHBondContact N-O 3.37Å; I37-F50 PolarHBondContact O-N 2.99Å; Y45-F50 AromaticContact CD1-CZ 3.96Å; Y45-F50 HydrophobicContact CD1-CZ 3.96Å; Y45-F50 HydrophobicContact CG-CZ 4.37Å; F50-L52 HydrophobicContact CB-CD1 4.46Å; F50-L52 WeakPolarHBondContact O-CD1 3.09Å; F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CD1-CD1 4.41Å; F50-F69 HydrophobicContact CD1-CE1 4.25Å; F50-F69 HydrophobicContact CG-CE1 4.16Å; F50-T71 HydrophobicContact CD1-CG2 3.77Å; F50-T71 HydrophobicContact CE1-CG2 4.3Å; F50-I73 HydrophobicContact CD1-CB 4.31Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.36Å; F50-I73 HydrophobicContact CE1-CB 4.06Å; F50-I73 HydrophobicContact CE1-CD1 3.67Å; F50-I73 HydrophobicContact CE1-CG1 3.8Å; F50-I73 HydrophobicContact CZ-CD1 4.12Å; F50-I73 HydrophobicContact CZ-CG1 4.45Å; F50-T142 HydrophobicContact CZ-CG2 4.22Å; F50-A146 HydrophobicContact CD1-CB 4.04Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.22Å; F50-A146 HydrophobicContact CZ-CB 3.7Å |
| 51 | F | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 36% | 0.36 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.3 | 174 | -62.4 | -75.2 | 0 | 0 | 0 | 110.3 | A35 T36 I49 M70 T71 | A35-F51 CarbonylContact O-C 3.29Å; A35-F51 WeakPolarHBondContact O-CA 3.49Å; T36-F51 HydrophobicContact CG2-CE1 4.39Å; I49-F51 HydrophobicContact CG2-CE1 4.42Å; I49-F51 HydrophobicContact CG2-CE2 4.29Å; I49-F51 HydrophobicContact CG2-CZ 4.03Å; F51-M70 HydrophobicContact CB-CB 4.16Å; F51-M70 WeakPolarHBondContact O-CB 3.48Å; F51-M70 PolarHBondContact O-N 3.34Å; F51-T71 PolarHBondContact N-OG1 3.21Å; F51-T71 PolarHBondContact O-N 3.3Å |
| 52 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.8 | 176.3 | -62.9 | 84.3 | 0 | 0 | 0 | 109.5 | Q34 A35 I37 F50 I67 S68 F69 I84 I106 | Q34-L52 CarbonylContact C-O 3.52Å; Q34-L52 WeakPolarHBondContact CA-O 3.46Å; A35-L52 HydrophobicContact CB-CB 4.32Å; A35-L52 PolarHBondContact N-O 3.1Å; A35-L52 PolarHBondContact O-N 3.21Å; I37-L52 HydrophobicContact CB-CD1 4.17Å; I37-L52 HydrophobicContact CD1-CD1 3.74Å; I37-L52 HydrophobicContact CD1-CD2 4.06Å; I37-L52 HydrophobicContact CG1-CD1 3.83Å; F50-L52 HydrophobicContact CB-CD1 4.46Å; F50-L52 WeakPolarHBondContact O-CD1 3.09Å; L52-I67 HydrophobicContact CB-CG2 4.34Å; L52-I67 HydrophobicContact CD2-CG2 3.82Å; L52-S68 CarbonylContact C-O 3.59Å; L52-S68 VanDerWaalsContact CA-O 3.24Å; L52-S68 WeakPolarHBondContact CA-O 3.31Å; L52-F69 HydrophobicContact CD1-CD1 4.36Å; L52-F69 HydrophobicContact CD1-CE1 4.13Å; L52-F69 HydrophobicContact CD1-CZ 4.32Å; L52-F69 HydrophobicContact CD2-CD2 3.87Å; L52-F69 HydrophobicContact CD2-CE1 4.43Å; L52-F69 HydrophobicContact CD2-CE2 3.63Å; L52-F69 HydrophobicContact CD2-CG 4.36Å; L52-F69 HydrophobicContact CD2-CZ 3.94Å; L52-F69 HydrophobicContact CG-CD1 4.21Å; L52-F69 HydrophobicContact CG-CD2 4.16Å; L52-F69 HydrophobicContact CG-CE1 4.3Å; L52-F69 HydrophobicContact CG-CE2 4.24Å; L52-F69 HydrophobicContact CG-CG 4.14Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; L52-I84 HydrophobicContact CD2-CD1 4.27Å; L52-I106 HydrophobicContact CD2-CD1 4.15Å; L52-I106 HydrophobicContact CD2-CG2 4.32Å |
| 53 | E | 98.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 139.3 | 168.5 | -173.1 | -175.6 | -162.5 | 0 | 0 | 109.2 | Q55 I67 S68 M70 | E53-Q55 HydrophobicContact CG-CG 4.34Å; E53-Q55 PolarHBondContact OE1-NE2 2.98Å; E53-I67 WeakPolarHBondContact O-CA 3.35Å; E53-S68 PolarHBondContact N-O 3.39Å; E53-S68 PolarHBondContact O-N 3.28Å; E53-M70 HydrophobicContact CB-CG 4.12Å; E53-M70 HydrophobicContact CB-SD 4.16Å |
| 54 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.8 | 177.7 | -57.6 | 172.3 | 0 | 0 | 0 | 108.1 | A23 A32 W33 A35 F56 P65 K66 I67 I99 L103 | A23-I54 HydrophobicContact CB-CD1 4.43Å; A32-I54 CarbonylContact C-O 3.6Å; A32-I54 WeakPolarHBondContact CA-O 3.19Å; W33-I54 HydrophobicContact CB-CB 4.01Å; W33-I54 PolarHBondContact N-O 2.86Å; W33-I54 PolarHBondContact O-N 3.06Å; A35-I54 HydrophobicContact CB-CD1 3.76Å; A35-I54 HydrophobicContact CB-CG1 4.45Å; I54-F56 HydrophobicContact CG2-CD2 4.23Å; I54-F56 HydrophobicContact CG2-CE2 3.72Å; I54-F56 HydrophobicContact CG2-CZ 3.93Å; I54-P65 HydrophobicContact CG2-CB 3.91Å; I54-K66 CarbonylContact C-O 3.45Å; I54-K66 WeakPolarHBondContact CA-O 3.27Å; I54-I67 HydrophobicContact CB-CG1 4.44Å; I54-I67 HydrophobicContact CD1-CD1 4.41Å; I54-I67 HydrophobicContact CG1-CD1 4.1Å; I54-I67 HydrophobicContact CG1-CG1 4.03Å; I54-I67 HydrophobicContact CG1-CG2 4.14Å; I54-I67 HydrophobicContact CG2-CD1 4.46Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; I54-I99 HydrophobicContact CD1-CG2 4.02Å; I54-I99 HydrophobicContact CG2-CD1 4.12Å; I54-L103 HydrophobicContact CD1-CD2 4.46Å |
| 55 | Q | 98.4 | Very high | 97.4 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.8 | 175.8 | -65.7 | 179.2 | -9.6 | 0 | 0 | 109.9 | E53 P65 K66 | E53-Q55 HydrophobicContact CG-CG 4.34Å; E53-Q55 PolarHBondContact OE1-NE2 2.98Å; Q55-P65 CarbonylContact O-C 3.52Å; Q55-P65 WeakPolarHBondContact O-CA 3.37Å; Q55-K66 HydrophobicContact CB-CB 4.36Å; Q55-K66 PolarHBondContact N-O 3.08Å; Q55-K66 PolarHBondContact O-N 2.88Å |
| 56 | F | 98.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | trans | -84.3 | 135.3 | 179.1 | -65.3 | -93.7 | 0 | 0 | 0 | 110.7 | I6 F31 W33 I54 Y60 P65 I99 | I6-F56 HydrophobicContact CD1-CB 3.74Å; I6-F56 HydrophobicContact CD1-CD1 4.01Å; I6-F56 HydrophobicContact CD1-CD2 4.28Å; I6-F56 HydrophobicContact CD1-CG 3.75Å; I6-F56 HydrophobicContact CG1-CD1 3.88Å; I6-F56 HydrophobicContact CG1-CE1 4.16Å; I6-F56 HydrophobicContact CG1-CG 4.11Å; F31-F56 HydrophobicContact CB-CB 4.39Å; F31-F56 HydrophobicContact CD1-CB 3.82Å; F31-F56 WeakPolarHBondContact O-CD2 3.43Å; F31-F56 PolarHBondContact O-N 2.87Å; W33-F56 HydrophobicContact CB-CE2 4.15Å; W33-F56 AromaticContact CD1-CE2 3.63Å; W33-F56 AromaticContact CD2-CE2 3.58Å; W33-F56 HydrophobicContact CD2-CE2 3.58Å; W33-F56 AromaticContact CD2-CZ 3.86Å; W33-F56 HydrophobicContact CD2-CZ 3.86Å; W33-F56 AromaticContact CE2-CE2 3.68Å; W33-F56 AromaticContact CE2-CZ 3.92Å; W33-F56 HydrophobicContact CE3-CE2 4.12Å; W33-F56 AromaticContact CE3-CZ 3.98Å; W33-F56 HydrophobicContact CE3-CZ 3.98Å; W33-F56 AromaticContact CG-CE2 3.58Å; W33-F56 HydrophobicContact CG-CE2 3.58Å; W33-F56 HydrophobicContact CG-CZ 4.33Å; W33-F56 HydrophobicContact CH2-CZ 4.27Å; W33-F56 HydrophobicContact CZ2-CE2 4.32Å; W33-F56 HydrophobicContact CZ2-CZ 4.15Å; W33-F56 HydrophobicContact CZ3-CZ 4.17Å; W33-F56 AromaticContact NE1-CE2 3.68Å; I54-F56 HydrophobicContact CG2-CD2 4.23Å; I54-F56 HydrophobicContact CG2-CE2 3.72Å; I54-F56 HydrophobicContact CG2-CZ 3.93Å; F56-Y60 AromaticContact CD1-CD1 3.9Å; F56-Y60 HydrophobicContact CD1-CD1 3.9Å; F56-Y60 AromaticContact CD1-CD2 3.84Å; F56-Y60 HydrophobicContact CD1-CD2 3.84Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.96Å; F56-Y60 HydrophobicContact CD1-CE2 3.96Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CE1-CD1 4.35Å; F56-Y60 AromaticContact CE1-CE1 3.95Å; F56-Y60 HydrophobicContact CE1-CE1 3.95Å; F56-Y60 HydrophobicContact CE1-CE2 4.18Å; F56-Y60 AromaticContact CE1-CZ 3.89Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; F56-I99 HydrophobicContact CE1-CD1 3.61Å; F56-I99 HydrophobicContact CE1-CG1 3.72Å; F56-I99 HydrophobicContact CZ-CD1 3.72Å; F56-I99 HydrophobicContact CZ-CG1 3.69Å | ||
| 57 | P | 97.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | trans | -74.3 | 157.9 | 171.8 | 33.8 | -37.2 | 0 | 0 | 0 | 110.8 | D59 Y60 K63 P64 | P57-D59 WeakPolarHBondContact CB-OD1 3.48Å; P57-D59 PolarHBondContact O-N 2.85Å; P57-Y60 WeakPolarHBondContact O-CB 3.35Å; P57-Y60 PolarHBondContact O-N 3.22Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; P57-K63 HydrophobicContact CB-CB 4.33Å; P57-K63 HydrophobicContact CG-CB 3.78Å; P57-P64 WeakPolarHBondContact CD-O 3.26Å; P57-P64 WeakPolarHBondContact CG-O 3.48Å | ||
| 58 | T | 96.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 46.1 Ų | 46.1 | 80% | 0.798 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.7 | -179.3 | 52 | 0 | 0 | 0 | 0 | 113.5 | A2 | A2-T58 WeakPolarHBondContact CB-O 3.26Š|
| 59 | D | 96.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.3 | 177.6 | 59.8 | -4.2 | 0 | 0 | 0 | 113.2 | P57 F62 K63 | P57-D59 WeakPolarHBondContact CB-OD1 3.48Å; P57-D59 PolarHBondContact O-N 2.85Å; D59-F62 WeakPolarHBondContact O-CB 3.41Å; D59-F62 VanDerWaalsContact O-CD2 3.28Å; D59-F62 WeakPolarHBondContact O-CD2 3.31Å; D59-F62 PolarHBondContact O-N 3.24Å; D59-K63 VanDerWaalsContact OD2-CD 3.26Å; D59-K63 WeakPolarHBondContact OD2-CD 3.35Å; D59-K63 WeakPolarHBondContact OD2-CE 3.44Å; D59-K63 IonicContact OD2-NZ 2.75Å; D59-K63 PolarHBondContact OD2-NZ 2.86Å |
| 60 | Y | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 136.7 | 171.4 | -171.5 | -104.3 | 0 | 0 | 0 | 111.3 | A2 R5 I6 E9 F56 P57 K63 W93 | A2-Y60 WeakPolarHBondContact CA-O 3.46Å; A2-Y60 VanDerWaalsContact CB-O 3.25Å; A2-Y60 WeakPolarHBondContact CB-O 3.5Å; R5-Y60 HydrophobicContact CB-CD1 4.39Å; R5-Y60 HydrophobicContact CG-CD1 3.82Å; R5-Y60 HydrophobicContact CG-CE1 3.56Å; I6-Y60 HydrophobicContact CD1-CD1 4.44Å; I6-Y60 HydrophobicContact CG1-CD1 3.75Å; I6-Y60 HydrophobicContact CG1-CE1 4.18Å; E9-Y60 WeakPolarHBondContact OE1-CE1 3.48Å; E9-Y60 PolarHBondContact OE1-OH 2.74Å; E9-Y60 PolarHBondContact OE2-OH 2.73Å; F56-Y60 AromaticContact CD1-CD1 3.9Å; F56-Y60 HydrophobicContact CD1-CD1 3.9Å; F56-Y60 AromaticContact CD1-CD2 3.84Å; F56-Y60 HydrophobicContact CD1-CD2 3.84Å; F56-Y60 AromaticContact CD1-CE1 3.96Å; F56-Y60 HydrophobicContact CD1-CE1 3.96Å; F56-Y60 AromaticContact CD1-CE2 3.96Å; F56-Y60 HydrophobicContact CD1-CE2 3.96Å; F56-Y60 AromaticContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CD1-CG 3.84Å; F56-Y60 HydrophobicContact CE1-CD1 4.35Å; F56-Y60 AromaticContact CE1-CE1 3.95Å; F56-Y60 HydrophobicContact CE1-CE1 3.95Å; F56-Y60 HydrophobicContact CE1-CE2 4.18Å; F56-Y60 AromaticContact CE1-CZ 3.89Å; P57-Y60 WeakPolarHBondContact O-CB 3.35Å; P57-Y60 PolarHBondContact O-N 3.22Å; P57-Y60 VanDerWaalsContact O-N 3.08Å; Y60-K63 WeakPolarHBondContact CD2-O 3.22Å; Y60-W93 HydrophobicContact CD2-CZ2 4.31Å; Y60-W93 AromaticContact CE2-CH2 3.72Å; Y60-W93 HydrophobicContact CE2-CH2 3.72Å; Y60-W93 AromaticContact CE2-CZ2 3.57Å; Y60-W93 HydrophobicContact CE2-CZ2 3.57Å |
| 61 | P | 97.1 | Very high | 97.7 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.6 | 15.4 | 7.3 | 39.4 | -36.8 | 0 | 0 | 0 | 115 | R5 K63 W93 P95 | R5-P61 HydrophobicContact CG-CB 4.29Å; R5-P61 HydrophobicContact CG-CG 4.16Å; P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 2.98Å; P61-W93 HydrophobicContact CB-CZ2 4.39Å; P61-W93 PolarHBondContact O-NE1 2.83Å; P61-P95 HydrophobicContact CB-CB 4.23Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.32Å |
| 62 | F | 96.5 | Very high | 97.7 | Very high | 142 Ų | 142 | 51.4 Ų | 51.4 | 62% | 0.623 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -71.5 | -24.4 | -178.3 | -59.5 | -68.8 | 0 | 0 | 0 | 112.9 | D59 P95 | D59-F62 WeakPolarHBondContact O-CB 3.41Å; D59-F62 VanDerWaalsContact O-CD2 3.28Å; D59-F62 WeakPolarHBondContact O-CD2 3.31Å; D59-F62 PolarHBondContact O-N 3.24Å; F62-P95 HydrophobicContact CD1-CG 4.44Å |
| 63 | K | 96.5 | Very high | 97.7 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -116.5 | 149.6 | 167.1 | -70 | -174 | -173.9 | 135.6 | 0 | 111 | P57 D59 Y60 P61 | P57-K63 HydrophobicContact CB-CB 4.33Å; P57-K63 HydrophobicContact CG-CB 3.78Å; D59-K63 VanDerWaalsContact OD2-CD 3.26Å; D59-K63 WeakPolarHBondContact OD2-CD 3.35Å; D59-K63 WeakPolarHBondContact OD2-CE 3.44Å; D59-K63 IonicContact OD2-NZ 2.75Å; D59-K63 PolarHBondContact OD2-NZ 2.86Å; Y60-K63 WeakPolarHBondContact CD2-O 3.22Å; P61-K63 VanDerWaalsContact C-N 3.27Å; P61-K63 PolarHBondContact O-N 2.98Å |
| 64 | P | 97.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 153.8 | 177 | 26.5 | -33.2 | 0 | 0 | 0 | 111.4 | P57 W93 | P57-P64 WeakPolarHBondContact CD-O 3.26Å; P57-P64 WeakPolarHBondContact CG-O 3.48Å; P64-W93 HydrophobicContact CB-CB 4.03Å; P64-W93 HydrophobicContact CB-CD2 3.56Å; P64-W93 HydrophobicContact CB-CE3 3.8Å; P64-W93 HydrophobicContact CB-CG 3.64Å; P64-W93 HydrophobicContact CG-CB 4.18Å; P64-W93 HydrophobicContact CG-CD2 4.48Å; P64-W93 HydrophobicContact CG-CG 4.07Å |
| 65 | P | 97.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 149.6 | 165.3 | 33.4 | -34.4 | 0 | 0 | 0 | 109.7 | I54 Q55 F56 I67 I99 | I54-P65 HydrophobicContact CG2-CB 3.91Å; Q55-P65 CarbonylContact O-C 3.52Å; Q55-P65 WeakPolarHBondContact O-CA 3.37Å; F56-P65 HydrophobicContact CD1-CB 4.25Å; P65-I67 HydrophobicContact CB-CG1 4.35Å; P65-I67 HydrophobicContact CG-CD1 4.12Å; P65-I67 HydrophobicContact CG-CG1 4.15Å; P65-I99 HydrophobicContact CB-CD1 4.29Å; P65-I99 HydrophobicContact CG-CD1 3.75Å |
| 66 | K | 98 | Very high | 97.7 | Very high | 117 Ų | 117 | 46.8 Ų | 46.8 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123 | 166.2 | -173.9 | -177.9 | 179.3 | -171.8 | 0 | 108.2 | I54 Q55 | I54-K66 CarbonylContact C-O 3.45Å; I54-K66 WeakPolarHBondContact CA-O 3.27Å; Q55-K66 HydrophobicContact CB-CB 4.36Å; Q55-K66 PolarHBondContact N-O 3.08Å; Q55-K66 PolarHBondContact O-N 2.88Å |
| 67 | I | 98.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 5% | 0.051 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.7 | 178.1 | -51.9 | -171.2 | 0 | 0 | 0 | 109.6 | L52 E53 I54 P65 I84 L89 V102 I106 | L52-I67 HydrophobicContact CB-CG2 4.34Å; L52-I67 HydrophobicContact CD2-CG2 3.82Å; E53-I67 WeakPolarHBondContact O-CA 3.35Å; I54-I67 HydrophobicContact CB-CG1 4.44Å; I54-I67 HydrophobicContact CD1-CD1 4.41Å; I54-I67 HydrophobicContact CG1-CD1 4.1Å; I54-I67 HydrophobicContact CG1-CG1 4.03Å; I54-I67 HydrophobicContact CG1-CG2 4.14Å; I54-I67 HydrophobicContact CG2-CD1 4.46Å; I54-I67 HydrophobicContact CG2-CG1 4.2Å; P65-I67 HydrophobicContact CB-CG1 4.35Å; P65-I67 HydrophobicContact CG-CD1 4.12Å; P65-I67 HydrophobicContact CG-CG1 4.15Å; I67-I84 HydrophobicContact CB-CD1 4.47Å; I67-I84 HydrophobicContact CG2-CD1 4.04Å; I67-L89 HydrophobicContact CB-CD1 4.32Å; I67-L89 HydrophobicContact CD1-CD2 4.04Å; I67-L89 HydrophobicContact CG1-CD2 4.22Å; I67-V102 HydrophobicContact CD1-CG1 3.47Å; I67-V102 VanDerWaalsContact CD1-CG1 3.47Å; I67-I106 HydrophobicContact CD1-CD1 4.4Å; I67-I106 HydrophobicContact CG2-CD1 4.1Å |
| 68 | S | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 144.2 | 176.4 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | L52 E53 M70 G82 | L52-S68 CarbonylContact C-O 3.59Å; L52-S68 VanDerWaalsContact CA-O 3.24Å; L52-S68 WeakPolarHBondContact CA-O 3.31Å; E53-S68 PolarHBondContact N-O 3.39Å; E53-S68 PolarHBondContact O-N 3.28Å; S68-M70 PolarHBondContact O-N 2.84Å; S68-G82 CarbonylContact C-O 3.48Å; S68-G82 WeakPolarHBondContact CA-O 3.32Å; S68-G82 WeakPolarHBondContact CB-O 3.45Å |
| 69 | F | 98.5 | Very high | 97.8 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127.1 | 170.4 | -83.1 | -105 | 0 | 0 | 0 | 110.7 | F50 L52 I73 I78 G82 I84 I106 L110 | F50-F69 HydrophobicContact CB-CD1 4.13Å; F50-F69 HydrophobicContact CB-CE1 3.78Å; F50-F69 HydrophobicContact CD1-CD1 4.41Å; F50-F69 HydrophobicContact CD1-CE1 4.25Å; F50-F69 HydrophobicContact CG-CE1 4.16Å; L52-F69 HydrophobicContact CD1-CD1 4.36Å; L52-F69 HydrophobicContact CD1-CE1 4.13Å; L52-F69 HydrophobicContact CD1-CZ 4.32Å; L52-F69 HydrophobicContact CD2-CD2 3.87Å; L52-F69 HydrophobicContact CD2-CE1 4.43Å; L52-F69 HydrophobicContact CD2-CE2 3.63Å; L52-F69 HydrophobicContact CD2-CG 4.36Å; L52-F69 HydrophobicContact CD2-CZ 3.94Å; L52-F69 HydrophobicContact CG-CD1 4.21Å; L52-F69 HydrophobicContact CG-CD2 4.16Å; L52-F69 HydrophobicContact CG-CE1 4.3Å; L52-F69 HydrophobicContact CG-CE2 4.24Å; L52-F69 HydrophobicContact CG-CG 4.14Å; L52-F69 HydrophobicContact CG-CZ 4.31Å; F69-I73 HydrophobicContact CD1-CG2 4.17Å; F69-I73 HydrophobicContact CE1-CD1 4.2Å; F69-I73 HydrophobicContact CG-CG2 4.42Å; F69-I78 HydrophobicContact CB-CG2 4.26Å; F69-I78 HydrophobicContact CD2-CD1 3.91Å; F69-I78 HydrophobicContact CD2-CG1 4.36Å; F69-I78 HydrophobicContact CD2-CG2 3.87Å; F69-I78 HydrophobicContact CE1-CD1 4.28Å; F69-I78 HydrophobicContact CE2-CD1 3.43Å; F69-I78 VanDerWaalsContact CE2-CD1 3.43Å; F69-I78 HydrophobicContact CE2-CG1 4.18Å; F69-I78 HydrophobicContact CG-CG2 4.15Å; F69-I78 HydrophobicContact CZ-CD1 3.64Å; F69-G82 PolarHBondContact N-O 3.19Å; F69-G82 WeakPolarHBondContact O-CA 3.41Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.79Å; F69-I84 HydrophobicContact CE2-CD1 3.63Å; F69-I84 HydrophobicContact CE2-CG1 3.97Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.79Å; F69-L110 HydrophobicContact CZ-CD2 4.32Å |
| 70 | M | 97.7 | Very high | 97.7 | Very high | 109 Ų | 109 | 44.8 Ų | 44.8 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -85.9 | -37.7 | 167 | -57.9 | -177.2 | 71.7 | 0 | 0 | 110.5 | F51 E53 S68 | F51-M70 HydrophobicContact CB-CB 4.16Å; F51-M70 WeakPolarHBondContact O-CB 3.48Å; F51-M70 PolarHBondContact O-N 3.34Å; E53-M70 HydrophobicContact CB-CG 4.12Å; E53-M70 HydrophobicContact CB-SD 4.16Å; S68-M70 PolarHBondContact O-N 2.84Å |
| 71 | T | 98 | Very high | 97.7 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -75.7 | 129 | 174 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | F50 F51 Y145 A146 | F50-T71 HydrophobicContact CD1-CG2 3.77Å; F50-T71 HydrophobicContact CE1-CG2 4.3Å; F51-T71 PolarHBondContact N-OG1 3.21Å; F51-T71 PolarHBondContact O-N 3.3Å; T71-Y145 WeakPolarHBondContact CG2-O 3.22Å; T71-A146 HydrophobicContact CG2-CB 3.9Å |
| 72 | K | 97.7 | Very high | 97.7 | Very high | 119 Ų | 119 | 48.3 Ų | 48.3 | 52% | 0.517 | 24% | 0.241 | S | C | . | . | trans | -62.8 | 137.2 | 174 | -69 | -178.4 | -179.4 | 177.5 | 0 | 110.3 | W141 Y145 | K72-W141 HydrophobicContact CB-CE3 4.27Å; K72-W141 HydrophobicContact CB-CZ3 4.1Å; K72-Y145 HydrophobicContact CB-CD1 4.37Å; K72-Y145 HydrophobicContact CB-CD2 3.94Å; K72-Y145 HydrophobicContact CB-CE2 4.43Å; K72-Y145 HydrophobicContact CB-CG 3.91Å; K72-Y145 HydrophobicContact CD-CD1 4.27Å; K72-Y145 HydrophobicContact CD-CE1 4.11Å | ||
| 73 | I | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | trans | -142 | 145 | -179.1 | -169.3 | 171.6 | 0 | 0 | 0 | 110.2 | Y45 F50 F69 H75 I78 L110 | Y45-I73 HydrophobicContact CD1-CD1 3.83Å; Y45-I73 HydrophobicContact CD1-CG1 4.01Å; Y45-I73 HydrophobicContact CE1-CD1 3.68Å; Y45-I73 HydrophobicContact CE1-CG1 3.61Å; F50-I73 HydrophobicContact CD1-CB 4.31Å; F50-I73 HydrophobicContact CD1-CD1 3.98Å; F50-I73 HydrophobicContact CD1-CG1 4.36Å; F50-I73 HydrophobicContact CE1-CB 4.06Å; F50-I73 HydrophobicContact CE1-CD1 3.67Å; F50-I73 HydrophobicContact CE1-CG1 3.8Å; F50-I73 HydrophobicContact CZ-CD1 4.12Å; F50-I73 HydrophobicContact CZ-CG1 4.45Å; F69-I73 HydrophobicContact CD1-CG2 4.17Å; F69-I73 HydrophobicContact CE1-CD1 4.2Å; F69-I73 HydrophobicContact CG-CG2 4.42Å; I73-H75 HydrophobicContact CG1-CB 4.3Å; I73-H75 HydrophobicContact CG2-CB 4.41Å; I73-I78 HydrophobicContact CD1-CD1 4.22Å; I73-I78 HydrophobicContact CG2-CB 3.89Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.63Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å | ||
| 74 | Y | 98.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | trans | -96.8 | 95.5 | 175.4 | -168.7 | -103.1 | 0 | 0 | 0 | 109.5 | Y45 V123 Q126 Y134 L137 A138 W141 | Y45-Y74 PolarHBondContact OH-O 3.43Å; Y74-V123 HydrophobicContact CD1-CG1 4.08Å; Y74-V123 HydrophobicContact CD2-CG2 4.32Å; Y74-V123 HydrophobicContact CE1-CG1 3.75Å; Y74-V123 HydrophobicContact CE1-CG2 4.45Å; Y74-V123 HydrophobicContact CE2-CG1 4.43Å; Y74-V123 HydrophobicContact CE2-CG2 3.72Å; Y74-Q126 PolarHBondContact OH-OE1 2.76Å; Y74-Y134 HydrophobicContact CD1-CD2 4.09Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CE2 4.23Å; Y74-L137 HydrophobicContact CD1-CB 4.14Å; Y74-L137 HydrophobicContact CE1-CB 3.99Å; Y74-L137 HydrophobicContact CE1-CD1 4.32Å; Y74-A138 HydrophobicContact CD1-CB 4.25Å; Y74-W141 HydrophobicContact CD2-CD2 4.31Å; Y74-W141 AromaticContact CD2-CE2 3.97Å; Y74-W141 HydrophobicContact CD2-CZ2 4.13Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å | ||
| 75 | H | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -147.9 | 142.4 | -171.7 | -171.3 | -80.2 | 0 | 0 | 0 | 111.1 | Y45 I73 N77 I78 L109 | Y45-H75 AromaticContact CZ-CD2 3.85Å; Y45-H75 PolarHBondContact OH-CD2 2.82Å; I73-H75 HydrophobicContact CG1-CB 4.3Å; I73-H75 HydrophobicContact CG2-CB 4.41Å; H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.79Å; H75-N77 VanDerWaalsContact CE1-OD1 3.28Å; H75-N77 PolarHBondContact ND1-N 3.33Å; H75-N77 PolarHBondContact O-N 2.94Å; H75-I78 HydrophobicContact CB-CB 4.07Å; H75-I78 HydrophobicContact CB-CD1 4Å; H75-I78 HydrophobicContact CB-CG1 4.21Å; H75-I78 PolarHBondContact O-N 3.05Å; H75-L109 PolarHBondContact NE2-O 3.16Å |
| 76 | P | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -30.9 | -177 | 27 | -35.7 | 0 | 0 | 0 | 113.7 | P113 P118 L119 C120 V123 A124 | P76-P113 HydrophobicContact CG-CB 3.44Å; P76-P113 VanDerWaalsContact CG-CB 3.44Å; P76-P113 HydrophobicContact CG-CG 4.38Å; P76-P118 WeakPolarHBondContact O-CA 3.35Å; P76-L119 PolarHBondContact O-N 2.68Å; P76-C120 PolarHBondContact O-N 3.21Å; P76-V123 HydrophobicContact CB-CG1 4.29Å; P76-A124 HydrophobicContact CB-CB 3.73Å |
| 77 | N | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 7.7 | 178.9 | -48.6 | 97.4 | 0 | 0 | 0 | 114.5 | H75 C85 L109 N114 D117 | H75-N77 VanDerWaalsContact C-N 3.34Å; H75-N77 PolarHBondContact CE1-OD1 2.79Å; H75-N77 VanDerWaalsContact CE1-OD1 3.28Å; H75-N77 PolarHBondContact ND1-N 3.33Å; H75-N77 PolarHBondContact O-N 2.94Å; N77-C85 HydrophobicContact CB-CB 4.07Å; N77-C85 PolarHBondContact O-N 3.16Å; N77-L109 HydrophobicContact CB-CD1 4.29Å; N77-L109 HydrophobicContact CB-CD2 4.03Å; N77-L109 HydrophobicContact CB-CG 4.47Å; N77-N114 PolarHBondContact ND2-O 2.9Å; N77-N114 PolarHBondContact OD1-N 3.28Å; N77-N114 PolarHBondContact OD1-O 2.97Å; N77-D117 PolarHBondContact ND2-O 3.5Å |
| 78 | I | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 123.3 | 177.3 | -52 | 162.4 | 0 | 0 | 0 | 108.5 | F69 I73 H75 H83 I84 L110 C120 | F69-I78 HydrophobicContact CB-CG2 4.26Å; F69-I78 HydrophobicContact CD2-CD1 3.91Å; F69-I78 HydrophobicContact CD2-CG1 4.36Å; F69-I78 HydrophobicContact CD2-CG2 3.87Å; F69-I78 HydrophobicContact CE1-CD1 4.28Å; F69-I78 HydrophobicContact CE2-CD1 3.43Å; F69-I78 VanDerWaalsContact CE2-CD1 3.43Å; F69-I78 HydrophobicContact CE2-CG1 4.18Å; F69-I78 HydrophobicContact CG-CG2 4.15Å; F69-I78 HydrophobicContact CZ-CD1 3.64Å; I73-I78 HydrophobicContact CD1-CD1 4.22Å; I73-I78 HydrophobicContact CG2-CB 3.89Å; I73-I78 HydrophobicContact CG2-CD1 3.86Å; I73-I78 HydrophobicContact CG2-CG2 3.63Å; H75-I78 HydrophobicContact CB-CB 4.07Å; H75-I78 HydrophobicContact CB-CD1 4Å; H75-I78 HydrophobicContact CB-CG1 4.21Å; H75-I78 PolarHBondContact O-N 3.05Å; I78-H83 VanDerWaalsContact CA-O 3.32Å; I78-H83 WeakPolarHBondContact CA-O 3.43Å; I78-I84 HydrophobicContact CG1-CG1 4.48Å; I78-I84 HydrophobicContact CG1-CG2 4.45Å; I78-L110 HydrophobicContact CD1-CD2 3.92Å; I78-C120 PolarHBondContact O-SG 3.02Å; I78-C120 VanDerWaalsContact O-SG 3.36Å |
| 79 | N | 96.6 | Very high | 97 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 21% | 0.214 | 21% | 0.205 | C | C | . | . | trans | -91.3 | 173.6 | -177.4 | 76.2 | 11.3 | 0 | 0 | 0 | 113.5 | S81 G82 H83 L119 C120 | N79-S81 PolarHBondContact O-N 2.82Å; N79-S81 VanDerWaalsContact O-N 3.1Å; N79-S81 WeakPolarHBondContact OD1-CA 3.33Å; N79-S81 WeakPolarHBondContact OD1-CB 3.35Å; N79-S81 PolarHBondContact OD1-N 2.83Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 2.88Å; N79-G82 PolarHBondContact OD1-N 2.84Å; N79-H83 PolarHBondContact N-O 3.27Å; N79-H83 VanDerWaalsContact N-O 3.08Å; N79-H83 PolarHBondContact OD1-N 3.15Å; N79-L119 HydrophobicContact CB-CB 4.37Å; N79-C120 VanDerWaalsContact CA-SG 3.55Å | ||
| 80 | L | 95.6 | Very high | 96.6 | Very high | 140 Ų | 140 | 45.3 Ų | 45.3 | 73% | 0.733 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -18.2 | -178.6 | -62.8 | 178.6 | 0 | 0 | 0 | 114.4 | G82 W141 | L80-G82 VanDerWaalsContact C-N 3.34Å; L80-W141 HydrophobicContact CD2-CH2 3.64Å; L80-W141 HydrophobicContact CD2-CZ3 4.12Å |
| 81 | S | 96.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 43.6 Ų | 43.6 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.9 | 174.3 | -49.4 | 0 | 0 | 0 | 0 | 112.8 | N79 H83 | N79-S81 PolarHBondContact O-N 2.82Å; N79-S81 VanDerWaalsContact O-N 3.1Å; N79-S81 WeakPolarHBondContact OD1-CA 3.33Å; N79-S81 WeakPolarHBondContact OD1-CB 3.35Å; N79-S81 PolarHBondContact OD1-N 2.83Å; S81-H83 VanDerWaalsContact C-N 3.34Å |
| 82 | G | 97.6 | Very high | 96.3 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | trans | 81.8 | 4.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S68 F69 N79 L80 | S68-G82 CarbonylContact C-O 3.48Å; S68-G82 WeakPolarHBondContact CA-O 3.32Å; S68-G82 WeakPolarHBondContact CB-O 3.45Å; F69-G82 PolarHBondContact N-O 3.19Å; F69-G82 WeakPolarHBondContact O-CA 3.41Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 2.88Å; N79-G82 PolarHBondContact OD1-N 2.84Å; L80-G82 VanDerWaalsContact C-N 3.34Å | ||
| 83 | H | 97.5 | Very high | 96.3 | Very high | 82 Ų | 82 | 44.7 Ų | 44.7 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | B | Isolated β-bridge | trans | -70.1 | 141.1 | 177.4 | -66 | 133.5 | 0 | 0 | 0 | 110.9 | I78 N79 S81 L119 | I78-H83 VanDerWaalsContact CA-O 3.32Å; I78-H83 WeakPolarHBondContact CA-O 3.43Å; N79-H83 PolarHBondContact N-O 3.27Å; N79-H83 VanDerWaalsContact N-O 3.08Å; N79-H83 PolarHBondContact OD1-N 3.15Å; S81-H83 VanDerWaalsContact C-N 3.34Å; H83-L119 HydrophobicContact CB-CD1 4.37Å; H83-L119 VanDerWaalsContact O-CD1 3.24Å; H83-L119 WeakPolarHBondContact O-CD1 3.5Å |
| 84 | I | 97.5 | Very high | 96.2 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 134 | -176 | -49 | 171.7 | 0 | 0 | 0 | 109.5 | L52 I67 F69 I78 L86 L89 R90 I106 L109 | L52-I84 HydrophobicContact CD2-CD1 4.27Å; I67-I84 HydrophobicContact CB-CD1 4.47Å; I67-I84 HydrophobicContact CG2-CD1 4.04Å; F69-I84 HydrophobicContact CD2-CD1 3.7Å; F69-I84 HydrophobicContact CD2-CG1 3.79Å; F69-I84 HydrophobicContact CE2-CD1 3.63Å; F69-I84 HydrophobicContact CE2-CG1 3.97Å; I78-I84 HydrophobicContact CG1-CG1 4.48Å; I78-I84 HydrophobicContact CG1-CG2 4.45Å; I84-L86 HydrophobicContact CG2-CB 3.91Å; I84-L89 HydrophobicContact CB-CD1 4.34Å; I84-L89 HydrophobicContact CD1-CD1 4.43Å; I84-R90 PolarHBondContact O-NH2 3.36Å; I84-R90 VanDerWaalsContact O-NH2 3.09Å; I84-I106 HydrophobicContact CD1-CD1 3.88Å; I84-I106 HydrophobicContact CD1-CG1 4.32Å; I84-L109 HydrophobicContact CG2-CD2 3.93Å |
| 85 | C | 95.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | trans | -89.3 | 97.3 | 161.8 | -128.4 | 0 | 0 | 0 | 0 | 107.9 | N77 R90 D117 L119 | N77-C85 HydrophobicContact CB-CB 4.07Å; N77-C85 PolarHBondContact O-N 3.16Å; C85-R90 PolarHBondContact SG-NH1 3.48Å; C85-R90 VanDerWaalsContact SG-NH1 3.45Å; C85-D117 PolarHBondContact SG-OD2 2.96Å; C85-D117 VanDerWaalsContact SG-OD2 3.4Å; C85-L119 HydrophobicContact CB-CD1 3.9Å; C85-L119 HydrophobicContact CB-CG 3.67Å; C85-L119 VanDerWaalsContact N-CD1 3.26Å | ||
| 86 | L | 94.7 | Very high | 96 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -142.7 | 123 | 171.8 | -172.7 | 65.3 | 0 | 0 | 0 | 107.1 | I84 I88 L89 I106 L109 | I84-L86 HydrophobicContact CG2-CB 3.91Å; L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 HydrophobicContact CD2-CD1 3.95Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CD1 4.48Å; L86-I88 HydrophobicContact CG-CG1 3.68Å; L86-I88 PolarHBondContact O-N 2.91Å; L86-L89 HydrophobicContact CB-CD1 4.21Å; L86-L89 HydrophobicContact CB-CG 4.38Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; L86-L89 HydrophobicContact CD2-CG 4.42Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 3.09Å; L86-I106 HydrophobicContact CD2-CG1 3.87Å; L86-L109 HydrophobicContact CD1-CD2 4.45Å | ||
| 87 | D | 93.1 | Very high | 96 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -61.6 | -35.4 | -172.3 | 62.5 | -21.2 | 0 | 0 | 0 | 113.1 | L89 R90 G91 Q92 | D87-L89 PolarHBondContact O-N 3.45Å; D87-R90 CarbonylContact O-C 3.17Å; D87-R90 VanDerWaalsContact O-C 3.29Å; D87-R90 WeakPolarHBondContact O-CA 3.24Å; D87-R90 PolarHBondContact O-N 3.4Å; D87-G91 PolarHBondContact O-N 3.4Å; D87-Q92 HydrophobicContact CB-CB 4.27Å; D87-Q92 HydrophobicContact CB-CG 3.98Å; D87-Q92 PolarHBondContact O-N 3.4Å; D87-Q92 WeakPolarHBondContact OD2-CG 3.41Å |
| 88 | I | 95.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -66.8 | -17.2 | 176 | 64.1 | 158.8 | 0 | 0 | 0 | 113.2 | L86 R90 Q92 W93 L97 V102 | L86-I88 VanDerWaalsContact C-N 3.3Å; L86-I88 HydrophobicContact CD2-CD1 3.95Å; L86-I88 HydrophobicContact CD2-CG1 3.64Å; L86-I88 HydrophobicContact CG-CD1 4.48Å; L86-I88 HydrophobicContact CG-CG1 3.68Å; L86-I88 PolarHBondContact O-N 2.91Å; I88-R90 VanDerWaalsContact C-N 3.28Å; I88-Q92 HydrophobicContact CG2-CB 4.22Å; I88-W93 VanDerWaalsContact O-CA 3.29Å; I88-W93 WeakPolarHBondContact O-CA 3.41Å; I88-W93 WeakPolarHBondContact O-CB 3.34Å; I88-L97 HydrophobicContact CB-CD1 3.88Å; I88-L97 HydrophobicContact CD1-CD1 4.48Å; I88-L97 HydrophobicContact CG2-CD1 4.22Å; I88-V102 HydrophobicContact CD1-CB 4.46Å; I88-V102 HydrophobicContact CD1-CG2 4.14Å |
| 89 | L | 94.7 | Very high | 95.8 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -87.1 | 0.8 | 170.6 | -65.4 | 177.3 | 0 | 0 | 0 | 112.5 | I67 I84 L86 D87 V102 | I67-L89 HydrophobicContact CB-CD1 4.32Å; I67-L89 HydrophobicContact CD1-CD2 4.04Å; I67-L89 HydrophobicContact CG1-CD2 4.22Å; I84-L89 HydrophobicContact CB-CD1 4.34Å; I84-L89 HydrophobicContact CD1-CD1 4.43Å; L86-L89 HydrophobicContact CB-CD1 4.21Å; L86-L89 HydrophobicContact CB-CG 4.38Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; L86-L89 HydrophobicContact CD2-CG 4.42Å; L86-L89 WeakPolarHBondContact O-CB 3.45Å; L86-L89 PolarHBondContact O-N 3.09Å; D87-L89 PolarHBondContact O-N 3.45Å; L89-V102 HydrophobicContact CD2-CG1 3.7Å; L89-V102 HydrophobicContact CG-CG1 4.49Å |
| 90 | R | 91.1 | Very high | 95.7 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 50% | 0.502 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | -108.9 | -175.1 | -58 | -176.5 | -171.8 | 171 | 7.5 | 110.6 | I84 C85 D87 I88 Q92 W93 | I84-R90 PolarHBondContact O-NH2 3.36Å; I84-R90 VanDerWaalsContact O-NH2 3.09Å; C85-R90 PolarHBondContact SG-NH1 3.48Å; C85-R90 VanDerWaalsContact SG-NH1 3.45Å; D87-R90 CarbonylContact O-C 3.17Å; D87-R90 VanDerWaalsContact O-C 3.29Å; D87-R90 WeakPolarHBondContact O-CA 3.24Å; D87-R90 PolarHBondContact O-N 3.4Å; I88-R90 VanDerWaalsContact C-N 3.28Å; R90-Q92 PolarHBondContact O-N 3.18Å; R90-W93 PolarHBondContact O-N 3.48Å |
| 91 | G | 92.2 | Very high | 95.7 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 76% | 0.763 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D87 | D87-G91 PolarHBondContact O-N 3.4Š|
| 92 | Q | 95.7 | Very high | 95.6 | Very high | 127 Ų | 127 | 48.2 Ų | 48.2 | 59% | 0.593 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 13.1 | 179.5 | -60.9 | -63.3 | -19.1 | 0 | 0 | 112.5 | D87 I88 R90 S94 | D87-Q92 HydrophobicContact CB-CB 4.27Å; D87-Q92 HydrophobicContact CB-CG 3.98Å; D87-Q92 PolarHBondContact O-N 3.4Å; D87-Q92 WeakPolarHBondContact OD2-CG 3.41Å; I88-Q92 HydrophobicContact CG2-CB 4.22Å; R90-Q92 PolarHBondContact O-N 3.18Å; Q92-S94 PolarHBondContact O-N 3.05Å |
| 93 | W | 97.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 48 Ų | 48 | 11% | 0.114 | 27% | 0.27 | C | S | . | . | trans | -62.9 | 129.7 | 173.3 | 175.5 | -104.5 | 0 | 0 | 0 | 110.3 | Y60 P61 P64 I88 R90 L97 V102 | Y60-W93 HydrophobicContact CD2-CZ2 4.31Å; Y60-W93 AromaticContact CE2-CH2 3.72Å; Y60-W93 HydrophobicContact CE2-CH2 3.72Å; Y60-W93 AromaticContact CE2-CZ2 3.57Å; Y60-W93 HydrophobicContact CE2-CZ2 3.57Å; P61-W93 HydrophobicContact CB-CZ2 4.39Å; P61-W93 PolarHBondContact O-NE1 2.83Å; P64-W93 HydrophobicContact CB-CB 4.03Å; P64-W93 HydrophobicContact CB-CD2 3.56Å; P64-W93 HydrophobicContact CB-CE3 3.8Å; P64-W93 HydrophobicContact CB-CG 3.64Å; P64-W93 HydrophobicContact CG-CB 4.18Å; P64-W93 HydrophobicContact CG-CD2 4.48Å; P64-W93 HydrophobicContact CG-CG 4.07Å; I88-W93 VanDerWaalsContact O-CA 3.29Å; I88-W93 WeakPolarHBondContact O-CA 3.41Å; I88-W93 WeakPolarHBondContact O-CB 3.34Å; R90-W93 PolarHBondContact O-N 3.48Å; W93-L97 HydrophobicContact CE3-CB 4.18Å; W93-L97 HydrophobicContact CE3-CD1 3.88Å; W93-L97 HydrophobicContact CH2-CB 4.1Å; W93-L97 HydrophobicContact CZ3-CB 3.74Å; W93-L97 HydrophobicContact CZ3-CD1 4.2Å; W93-V102 HydrophobicContact CZ3-CG2 3.88Å | ||
| 94 | S | 97.4 | Very high | 95.5 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | trans | -122 | 137.7 | 170.6 | 171.3 | 0 | 0 | 0 | 0 | 109.3 | Q92 A96 L97 | Q92-S94 PolarHBondContact O-N 3.05Å; S94-A96 PolarHBondContact O-N 3.36Å; S94-A96 PolarHBondContact OG-N 3.25Å; S94-L97 WeakPolarHBondContact O-CB 3.29Å; S94-L97 PolarHBondContact O-N 3.34Å | ||
| 95 | P | 96.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -15.3 | 172.4 | -26.4 | 35.3 | 0 | 0 | 0 | 114.4 | R5 P61 F62 | R5-P95 PolarHBondContact NH1-O 2.95Å; R5-P95 PolarHBondContact NH2-O 2.89Å; P61-P95 HydrophobicContact CB-CB 4.23Å; P61-P95 HydrophobicContact CG-CB 4.08Å; P61-P95 WeakPolarHBondContact O-CA 3.32Å; F62-P95 HydrophobicContact CD1-CG 4.44Å |
| 96 | A | 96.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | S94 | S94-A96 PolarHBondContact O-N 3.36Å; S94-A96 PolarHBondContact OG-N 3.25Å |
| 97 | L | 97.2 | Very high | 95.5 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | trans | -71.1 | 145.1 | 173.5 | -66.2 | 175.3 | 0 | 0 | 0 | 110.4 | R5 I88 W93 S94 K101 | R5-L97 PolarHBondContact NH2-O 2.93Å; I88-L97 HydrophobicContact CB-CD1 3.88Å; I88-L97 HydrophobicContact CD1-CD1 4.48Å; I88-L97 HydrophobicContact CG2-CD1 4.22Å; W93-L97 HydrophobicContact CE3-CB 4.18Å; W93-L97 HydrophobicContact CE3-CD1 3.88Å; W93-L97 HydrophobicContact CH2-CB 4.1Å; W93-L97 HydrophobicContact CZ3-CB 3.74Å; W93-L97 HydrophobicContact CZ3-CD1 4.2Å; S94-L97 WeakPolarHBondContact O-CB 3.29Å; S94-L97 PolarHBondContact O-N 3.34Å; L97-K101 HydrophobicContact CD2-CD 4.3Å | ||
| 98 | T | 95.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.233 | 28% | 0.278 | C | S | . | . | trans | -114.4 | 160 | 175.8 | 63.2 | 0 | 0 | 0 | 0 | 109.8 | E9 S100 K101 V102 | E9-T98 WeakPolarHBondContact OE2-CA 3.45Å; E9-T98 WeakPolarHBondContact OE2-CB 3.25Å; T98-S100 PolarHBondContact O-N 3.29Å; T98-K101 WeakPolarHBondContact O-CB 3.37Å; T98-K101 PolarHBondContact O-N 2.88Å; T98-K101 PolarHBondContact OG1-N 3.27Å; T98-V102 WeakPolarHBondContact O-CG2 3.43Å; T98-V102 PolarHBondContact O-N 2.94Å | ||
| 99 | I | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -38.9 | 174.3 | -64.4 | -64.3 | 0 | 0 | 0 | 111.3 | E9 L13 A23 W33 I54 F56 P65 K101 V102 L103 | E9-I99 WeakPolarHBondContact OE2-CG1 3.35Å; E9-I99 PolarHBondContact OE2-N 2.93Å; L13-I99 HydrophobicContact CD1-CB 4.19Å; L13-I99 HydrophobicContact CD1-CG2 4.03Å; A23-I99 HydrophobicContact CB-CG2 4.48Å; W33-I99 HydrophobicContact CE3-CG2 4.37Å; W33-I99 HydrophobicContact CZ3-CB 4.36Å; W33-I99 HydrophobicContact CZ3-CG1 4.32Å; W33-I99 HydrophobicContact CZ3-CG2 4.09Å; I54-I99 HydrophobicContact CD1-CG2 4.02Å; I54-I99 HydrophobicContact CG2-CD1 4.12Å; F56-I99 HydrophobicContact CE1-CD1 3.61Å; F56-I99 HydrophobicContact CE1-CG1 3.72Å; F56-I99 HydrophobicContact CZ-CD1 3.72Å; F56-I99 HydrophobicContact CZ-CG1 3.69Å; P65-I99 HydrophobicContact CB-CD1 4.29Å; P65-I99 HydrophobicContact CG-CD1 3.75Å; I99-K101 PolarHBondContact O-N 2.88Å; I99-V102 PolarHBondContact O-N 3.25Å; I99-L103 HydrophobicContact CG2-CD1 3.9Å; I99-L103 HydrophobicContact CG2-CG 4.16Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3.42Å |
| 100 | S | 95.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 46 Ų | 46 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -48.9 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | T98 V102 L103 L104 | T98-S100 PolarHBondContact O-N 3.29Å; S100-V102 PolarHBondContact O-N 2.95Å; S100-L103 PolarHBondContact O-N 3.33Å; S100-L104 WeakPolarHBondContact O-CG 3.4Å; S100-L104 PolarHBondContact O-N 3Å |
| 101 | K | 95 | Very high | 95.9 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.8 | -69.9 | -179.5 | 178.4 | -176.9 | 0 | 112.5 | L97 T98 I99 L104 S105 | L97-K101 HydrophobicContact CD2-CD 4.3Å; T98-K101 WeakPolarHBondContact O-CB 3.37Å; T98-K101 PolarHBondContact O-N 2.88Å; T98-K101 PolarHBondContact OG1-N 3.27Å; I99-K101 PolarHBondContact O-N 2.88Å; K101-L104 PolarHBondContact O-N 3.28Å; K101-S105 PolarHBondContact O-N 2.93Å; K101-S105 PolarHBondContact O-OG 3.14Å |
| 102 | V | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 111 | I67 I88 L89 W93 T98 I99 S100 S105 I106 | I67-V102 HydrophobicContact CD1-CG1 3.47Å; I67-V102 VanDerWaalsContact CD1-CG1 3.47Å; I88-V102 HydrophobicContact CD1-CB 4.46Å; I88-V102 HydrophobicContact CD1-CG2 4.14Å; L89-V102 HydrophobicContact CD2-CG1 3.7Å; L89-V102 HydrophobicContact CG-CG1 4.49Å; W93-V102 HydrophobicContact CZ3-CG2 3.88Å; T98-V102 WeakPolarHBondContact O-CG2 3.43Å; T98-V102 PolarHBondContact O-N 2.94Å; I99-V102 PolarHBondContact O-N 3.25Å; S100-V102 PolarHBondContact O-N 2.95Å; V102-S105 PolarHBondContact O-N 3.33Å; V102-I106 HydrophobicContact CG1-CD1 4.12Å; V102-I106 WeakPolarHBondContact O-CG1 3.48Å; V102-I106 PolarHBondContact O-N 3.09Å |
| 103 | L | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.6 | -69 | 173.9 | 0 | 0 | 0 | 111.3 | C21 A23 A35 I37 I54 I99 S100 S105 I106 C107 | C21-L103 HydrophobicContact CB-CB 4.06Å; A23-L103 HydrophobicContact CB-CD1 3.86Å; A35-L103 HydrophobicContact CB-CD1 4.22Å; A35-L103 HydrophobicContact CB-CD2 3.8Å; I37-L103 HydrophobicContact CD1-CD2 4.26Å; I54-L103 HydrophobicContact CD1-CD2 4.46Å; I99-L103 HydrophobicContact CG2-CD1 3.9Å; I99-L103 HydrophobicContact CG2-CG 4.16Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 VanDerWaalsContact O-CG 3.31Å; I99-L103 WeakPolarHBondContact O-CG 3.44Å; I99-L103 PolarHBondContact O-N 3.42Å; S100-L103 PolarHBondContact O-N 3.33Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.78Å; L103-I106 PolarHBondContact O-N 3.37Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L103-C107 WeakPolarHBondContact O-CB 3.5Å; L103-C107 PolarHBondContact O-N 3.42Å; L103-C107 PolarHBondContact O-SG 2.95Å |
| 104 | L | 94.8 | Very high | 96 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 41% | 0.408 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.3 | -40.4 | 174.1 | -71.9 | 171.6 | 0 | 0 | 0 | 112.1 | P18 S100 K101 I106 C107 S108 | P18-L104 HydrophobicContact CB-CD1 4.33Å; P18-L104 HydrophobicContact CB-CD2 3.71Å; P18-L104 HydrophobicContact CB-CG 3.93Å; S100-L104 WeakPolarHBondContact O-CG 3.4Å; S100-L104 PolarHBondContact O-N 3Å; K101-L104 PolarHBondContact O-N 3.28Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-C107 PolarHBondContact O-N 3.24Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 2.9Å |
| 105 | S | 95.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 39 Ų | 39 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -36.5 | 174.4 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | K101 V102 L103 S108 L109 | K101-S105 PolarHBondContact O-N 2.93Å; K101-S105 PolarHBondContact O-OG 3.14Å; V102-S105 PolarHBondContact O-N 3.33Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 2.78Å; S105-S108 PolarHBondContact O-N 2.84Å; S105-L109 WeakPolarHBondContact O-CB 3.43Å; S105-L109 PolarHBondContact O-N 3.37Å |
| 106 | I | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -43.8 | 173.2 | -63.5 | 164.6 | 0 | 0 | 0 | 110.5 | I37 L52 I67 F69 I84 L86 V102 L103 L104 S108 L109 L110 | I37-I106 HydrophobicContact CD1-CB 4Å; I37-I106 HydrophobicContact CD1-CG2 3.56Å; L52-I106 HydrophobicContact CD2-CD1 4.15Å; L52-I106 HydrophobicContact CD2-CG2 4.32Å; I67-I106 HydrophobicContact CD1-CD1 4.4Å; I67-I106 HydrophobicContact CG2-CD1 4.1Å; F69-I106 HydrophobicContact CE2-CG2 3.81Å; F69-I106 HydrophobicContact CZ-CG2 3.79Å; I84-I106 HydrophobicContact CD1-CD1 3.88Å; I84-I106 HydrophobicContact CD1-CG1 4.32Å; L86-I106 HydrophobicContact CD2-CG1 3.87Å; V102-I106 HydrophobicContact CG1-CD1 4.12Å; V102-I106 WeakPolarHBondContact O-CG1 3.48Å; V102-I106 PolarHBondContact O-N 3.09Å; L103-I106 PolarHBondContact O-N 3.37Å; L103-I106 VanDerWaalsContact O-N 3.14Å; L104-I106 VanDerWaalsContact C-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 3.14Å; I106-L109 WeakPolarHBondContact O-CB 3.31Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.09Å; I106-L110 PolarHBondContact O-N 3.16Å; I106-L110 VanDerWaalsContact O-N 3.14Å |
| 107 | C | 95.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -41 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 109.4 | C21 I37 L103 L104 L110 | C21-C107 WeakPolarHBondContact CB-SG 3.44Å; C21-C107 WeakPolarHBondContact SG-CB 3.37Å; C21-C107 CovalentContact SG-SG 2.11Å; C21-C107 PolarHBondContact SG-SG 2.92Å; I37-C107 VanDerWaalsContact CG1-SG 3.56Å; I37-C107 HydrophobicContact CG2-CB 4.47Å; I37-C107 WeakPolarHBondContact CG2-SG 3.28Å; L103-C107 WeakPolarHBondContact O-CB 3.5Å; L103-C107 PolarHBondContact O-N 3.42Å; L103-C107 PolarHBondContact O-SG 2.95Å; L104-C107 PolarHBondContact O-N 3.24Å; C107-L110 PolarHBondContact O-N 3.44Å |
| 108 | S | 95.1 | Very high | 95.5 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 46% | 0.462 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.4 | -38.4 | 172.9 | -173.9 | 0 | 0 | 0 | 0 | 113.7 | L104 S105 I106 L110 T111 D112 | L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 2.9Å; S105-S108 PolarHBondContact O-N 2.84Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 3.14Å; S108-L110 PolarHBondContact O-N 3.13Å; S108-T111 PolarHBondContact O-N 3.41Å; S108-T111 VanDerWaalsContact O-N 3.13Å; S108-D112 PolarHBondContact O-N 2.95Å |
| 109 | L | 96.2 | Very high | 95.5 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -32.7 | 178.2 | -176.4 | 66.5 | 0 | 0 | 0 | 111.8 | H75 N77 I84 L86 S105 I106 T111 D112 P113 | H75-L109 PolarHBondContact NE2-O 3.16Å; N77-L109 HydrophobicContact CB-CD1 4.29Å; N77-L109 HydrophobicContact CB-CD2 4.03Å; N77-L109 HydrophobicContact CB-CG 4.47Å; I84-L109 HydrophobicContact CG2-CD2 3.93Å; L86-L109 HydrophobicContact CD1-CD2 4.45Å; S105-L109 WeakPolarHBondContact O-CB 3.43Å; S105-L109 PolarHBondContact O-N 3.37Å; I106-L109 WeakPolarHBondContact O-CB 3.31Å; I106-L109 PolarHBondContact O-N 2.97Å; I106-L109 VanDerWaalsContact O-N 3.09Å; L109-T111 VanDerWaalsContact C-N 3.35Å; L109-D112 CarbonylContact O-C 3.59Å; L109-D112 VanDerWaalsContact O-C 3.31Å; L109-P113 WeakPolarHBondContact O-CA 3.43Å |
| 110 | L | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 174.7 | -63.9 | -175.6 | 0 | 0 | 0 | 112.1 | I37 P40 Y45 F69 I73 I78 I106 C107 S108 | I37-L110 HydrophobicContact CG2-CD1 3.91Å; P40-L110 HydrophobicContact CG-CB 4.11Å; Y45-L110 HydrophobicContact CD2-CB 3.96Å; Y45-L110 HydrophobicContact CE2-CB 4.24Å; Y45-L110 HydrophobicContact CE2-CD2 4.46Å; Y45-L110 WeakPolarHBondContact CE2-O 3.43Å; F69-L110 HydrophobicContact CZ-CD2 4.32Å; I73-L110 HydrophobicContact CD1-CD2 3.48Å; I73-L110 VanDerWaalsContact CD1-CD2 3.48Å; I78-L110 HydrophobicContact CD1-CD2 3.92Å; I106-L110 PolarHBondContact O-N 3.16Å; I106-L110 VanDerWaalsContact O-N 3.14Å; C107-L110 PolarHBondContact O-N 3.44Å; S108-L110 PolarHBondContact O-N 3.13Å |
| 111 | T | 94.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 49 Ų | 49 | 36% | 0.356 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74 | -44.8 | 177 | -52.2 | 0 | 0 | 0 | 0 | 111.4 | P40 S108 L109 P113 | P40-T111 WeakPolarHBondContact CB-OG1 3.36Å; S108-T111 PolarHBondContact O-N 3.41Å; S108-T111 VanDerWaalsContact O-N 3.13Å; L109-T111 VanDerWaalsContact C-N 3.35Å; T111-P113 WeakPolarHBondContact O-CD 3.49Å |
| 112 | D | 95.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 48.9 Ų | 48.9 | 59% | 0.594 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -122.7 | 81.8 | -175.7 | -65.6 | -59.4 | 0 | 0 | 0 | 111.2 | S108 L109 | S108-D112 PolarHBondContact O-N 2.95Å; L109-D112 CarbonylContact O-C 3.59Å; L109-D112 VanDerWaalsContact O-C 3.31Å |
| 113 | P | 96.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | trans | -61.9 | 151.6 | 177.1 | -21.6 | 32.2 | 0 | 0 | 0 | 112.2 | P76 L109 T111 P115 Y127 | P76-P113 HydrophobicContact CG-CB 3.44Å; P76-P113 VanDerWaalsContact CG-CB 3.44Å; P76-P113 HydrophobicContact CG-CG 4.38Å; L109-P113 WeakPolarHBondContact O-CA 3.43Å; T111-P113 WeakPolarHBondContact O-CD 3.49Å; P113-P115 WeakPolarHBondContact O-CD 3.37Å; P113-Y127 HydrophobicContact CB-CE2 4.13Å; P113-Y127 HydrophobicContact CG-CD2 4.35Å; P113-Y127 HydrophobicContact CG-CE2 3.69Å | ||
| 114 | N | 95.4 | Very high | 95.8 | Very high | 70 Ų | 70 | 49.8 Ų | 49.8 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | trans | -102.5 | 90.5 | 175.6 | -179.4 | -1.6 | 0 | 0 | 0 | 110.8 | N77 D116 D117 | N77-N114 PolarHBondContact ND2-O 2.9Å; N77-N114 PolarHBondContact OD1-N 3.28Å; N77-N114 PolarHBondContact OD1-O 2.97Å; N114-D116 PolarHBondContact O-N 2.11Å; N114-D116 PolarHBondContact OD1-N 3.43Å; N114-D116 VanDerWaalsContact OD1-N 3.12Å; N114-D117 PolarHBondContact OD1-N 2.86Å | ||
| 115 | P | 94.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.4 | -177.9 | 35.2 | -40.7 | 0 | 0 | 0 | 113.9 | P113 A124 Y127 K128 | P113-P115 WeakPolarHBondContact O-CD 3.37Å; P115-A124 HydrophobicContact CB-CB 4.21Å; P115-Y127 HydrophobicContact CB-CD1 3.94Å; P115-Y127 HydrophobicContact CB-CE1 4.48Å; P115-Y127 HydrophobicContact CG-CD1 3.97Å; P115-Y127 HydrophobicContact CG-CE1 4.05Å; P115-K128 HydrophobicContact CB-CD 3.93Å; P115-K128 HydrophobicContact CB-CG 3.88Å; P115-K128 HydrophobicContact CG-CD 4.36Å; P115-K128 HydrophobicContact CG-CG 4.14Å; P115-K128 PolarHBondContact O-NZ 3.44Å |
| 116 | D | 94.1 | Very high | 96 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 69% | 0.69 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -22.2 | 178 | -63.8 | -40 | 0 | 0 | 0 | 112.9 | N114 P118 K128 | N114-D116 PolarHBondContact O-N 2.11Å; N114-D116 PolarHBondContact OD1-N 3.43Å; N114-D116 VanDerWaalsContact OD1-N 3.12Å; D116-P118 VanDerWaalsContact C-CD 3.41Å; D116-K128 WeakPolarHBondContact OD1-CE 3.33Å; D116-K128 IonicContact OD1-NZ 3.16Å; D116-K128 PolarHBondContact OD1-NZ 2.97Å |
| 117 | D | 92 | Very high | 96.1 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -123.6 | 65.7 | 170.1 | -175.3 | 35.1 | 0 | 0 | 0 | 111.9 | N77 C85 N114 | N77-D117 PolarHBondContact ND2-O 3.5Å; C85-D117 PolarHBondContact SG-OD2 2.96Å; C85-D117 VanDerWaalsContact SG-OD2 3.4Å; N114-D117 PolarHBondContact OD1-N 2.86Å |
| 118 | P | 94.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 26% | 0.26 | 31% | 0.308 | S | S | . | . | trans | -83.4 | 141.1 | -173.6 | 35.1 | -36.3 | 0 | 0 | 0 | 112.8 | P76 D116 C120 A124 | P76-P118 WeakPolarHBondContact O-CA 3.35Å; D116-P118 VanDerWaalsContact C-CD 3.41Å; P118-C120 VanDerWaalsContact C-N 3.34Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.85Å | ||
| 119 | L | 95.5 | Very high | 96.3 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -79.3 | -23.6 | 161.1 | -81.2 | 178 | 0 | 0 | 0 | 112.1 | P76 N79 H83 C85 | P76-L119 PolarHBondContact O-N 2.68Å; N79-L119 HydrophobicContact CB-CB 4.37Å; H83-L119 HydrophobicContact CB-CD1 4.37Å; H83-L119 VanDerWaalsContact O-CD1 3.24Å; H83-L119 WeakPolarHBondContact O-CD1 3.5Å; C85-L119 HydrophobicContact CB-CD1 3.9Å; C85-L119 HydrophobicContact CB-CG 3.67Å; C85-L119 VanDerWaalsContact N-CD1 3.26Å |
| 120 | C | 96.6 | Very high | 96.4 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 18% | 0.176 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -122.3 | 86.6 | -178.9 | -64.6 | 0 | 0 | 0 | 0 | 109.3 | P76 I78 N79 P118 E122 V123 A124 | P76-C120 PolarHBondContact O-N 3.21Å; I78-C120 PolarHBondContact O-SG 3.02Å; I78-C120 VanDerWaalsContact O-SG 3.36Å; N79-C120 VanDerWaalsContact CA-SG 3.55Å; P118-C120 VanDerWaalsContact C-N 3.34Å; C120-E122 VanDerWaalsContact C-N 3.26Å; C120-E122 PolarHBondContact O-N 2.88Å; C120-V123 HydrophobicContact CB-CB 3.9Å; C120-V123 HydrophobicContact CB-CG2 3.75Å; C120-V123 PolarHBondContact O-N 2.83Å; C120-V123 VanDerWaalsContact O-N 3.14Å; C120-A124 PolarHBondContact O-N 3.39Å |
| 121 | P | 97.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 67 Ų | 67 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.4 | -36 | -174.2 | -27.9 | 35.5 | 0 | 0 | 0 | 114 | A124 R125 | P121-A124 PolarHBondContact O-N 3.14Å; P121-R125 WeakPolarHBondContact O-CB 3.37Å; P121-R125 PolarHBondContact O-N 2.91Å |
| 122 | E | 97 | Very high | 96.6 | Very high | 110 Ų | 110 | 71.3 Ų | 71.3 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 179.4 | -179 | 57.6 | -169.4 | 0 | 0 | 112.4 | C120 A124 R125 Q126 | C120-E122 VanDerWaalsContact C-N 3.26Å; C120-E122 PolarHBondContact O-N 2.88Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.62Å; E122-R125 PolarHBondContact O-N 3.28Å; E122-R125 IonicContact OE1-CZ 2.68Å; E122-R125 IonicContact OE1-NE 3.6Å; E122-R125 IonicContact OE1-NH2 3.5Å; E122-R125 PolarHBondContact OE1-NH2 3.49Å; E122-R125 IonicContact OE2-CZ 3.5Å; E122-R125 IonicContact OE2-NE 3.54Å; E122-R125 PolarHBondContact OE2-NE 2.85Å; E122-R125 IonicContact OE2-NH2 3.58Å; E122-R125 PolarHBondContact OE2-NH2 3.4Å; E122-Q126 PolarHBondContact O-N 2.93Å |
| 123 | V | 98 | Very high | 96.7 | Very high | 16 Ų | 16 | 69.6 Ų | 69.6 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | Y74 P76 C120 Q126 Y127 Y134 | Y74-V123 HydrophobicContact CD1-CG1 4.08Å; Y74-V123 HydrophobicContact CD2-CG2 4.32Å; Y74-V123 HydrophobicContact CE1-CG1 3.75Å; Y74-V123 HydrophobicContact CE1-CG2 4.45Å; Y74-V123 HydrophobicContact CE2-CG1 4.43Å; Y74-V123 HydrophobicContact CE2-CG2 3.72Å; P76-V123 HydrophobicContact CB-CG1 4.29Å; C120-V123 HydrophobicContact CB-CB 3.9Å; C120-V123 HydrophobicContact CB-CG2 3.75Å; C120-V123 PolarHBondContact O-N 2.83Å; C120-V123 VanDerWaalsContact O-N 3.14Å; V123-Q126 PolarHBondContact O-N 3.39Å; V123-Y127 WeakPolarHBondContact O-CB 3.49Å; V123-Y127 PolarHBondContact O-N 2.85Å; V123-Y134 HydrophobicContact CG1-CD2 4.01Å; V123-Y134 HydrophobicContact CG1-CE2 3.72Å |
| 124 | A | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | P76 P115 P118 C120 P121 E122 Y127 K128 | P76-A124 HydrophobicContact CB-CB 3.73Å; P115-A124 HydrophobicContact CB-CB 4.21Å; P118-A124 HydrophobicContact CB-CB 3.42Å; P118-A124 VanDerWaalsContact CB-CB 3.42Å; P118-A124 HydrophobicContact CG-CB 3.85Å; C120-A124 PolarHBondContact O-N 3.39Å; P121-A124 PolarHBondContact O-N 3.14Å; E122-A124 VanDerWaalsContact C-N 3.31Å; E122-A124 PolarHBondContact O-N 2.62Å; A124-Y127 WeakPolarHBondContact O-CB 3.46Å; A124-Y127 PolarHBondContact O-N 3.18Å; A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 WeakPolarHBondContact O-CG 3.33Å; A124-K128 PolarHBondContact O-N 3.48Å |
| 125 | R | 98.1 | Very high | 96.9 | Very high | 126 Ų | 126 | 67.1 Ų | 67.1 | 48% | 0.475 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 173.2 | -171.6 | -169.9 | 69.2 | 75.8 | -1.7 | 110 | P121 E122 Y127 K128 T129 | P121-R125 WeakPolarHBondContact O-CB 3.37Å; P121-R125 PolarHBondContact O-N 2.91Å; E122-R125 PolarHBondContact O-N 3.28Å; E122-R125 IonicContact OE1-CZ 2.68Å; E122-R125 IonicContact OE1-NE 3.6Å; E122-R125 IonicContact OE1-NH2 3.5Å; E122-R125 PolarHBondContact OE1-NH2 3.49Å; E122-R125 IonicContact OE2-CZ 3.5Å; E122-R125 IonicContact OE2-NE 3.54Å; E122-R125 PolarHBondContact OE2-NE 2.85Å; E122-R125 IonicContact OE2-NH2 3.58Å; E122-R125 PolarHBondContact OE2-NH2 3.4Å; R125-Y127 PolarHBondContact O-N 2.75Å; R125-K128 PolarHBondContact O-N 2.97Å; R125-K128 VanDerWaalsContact O-N 3.17Å; R125-T129 HydrophobicContact CG-CG2 4.39Å; R125-T129 WeakPolarHBondContact O-CG2 3.46Å; R125-T129 PolarHBondContact O-N 3.05Å; R125-T129 PolarHBondContact O-OG1 3.49Å |
| 126 | Q | 98 | Very high | 97.1 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.9 | -171.2 | -179.3 | 55.9 | 0 | 0 | 111.8 | Y74 E122 V123 K128 T129 D130 | Y74-Q126 PolarHBondContact OH-OE1 2.76Å; E122-Q126 PolarHBondContact O-N 2.93Å; V123-Q126 PolarHBondContact O-N 3.39Å; Q126-K128 VanDerWaalsContact C-N 3.25Å; Q126-K128 PolarHBondContact O-N 2.85Å; Q126-T129 PolarHBondContact O-N 3.42Å; Q126-D130 CarbonylContact O-C 3.59Å; Q126-D130 WeakPolarHBondContact O-CA 3.4Å; Q126-D130 PolarHBondContact O-N 3.27Å; Q126-D130 VanDerWaalsContact O-O 3.14Å |
| 127 | Y | 98.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.2 | -42.7 | 174.7 | -179.7 | -87.3 | 0 | 0 | 0 | 112.2 | P113 P115 V123 A124 R125 R131 Y134 | P113-Y127 HydrophobicContact CB-CE2 4.13Å; P113-Y127 HydrophobicContact CG-CD2 4.35Å; P113-Y127 HydrophobicContact CG-CE2 3.69Å; P115-Y127 HydrophobicContact CB-CD1 3.94Å; P115-Y127 HydrophobicContact CB-CE1 4.48Å; P115-Y127 HydrophobicContact CG-CD1 3.97Å; P115-Y127 HydrophobicContact CG-CE1 4.05Å; V123-Y127 WeakPolarHBondContact O-CB 3.49Å; V123-Y127 PolarHBondContact O-N 2.85Å; A124-Y127 WeakPolarHBondContact O-CB 3.46Å; A124-Y127 PolarHBondContact O-N 3.18Å; R125-Y127 PolarHBondContact O-N 2.75Å; Y127-R131 PolarHBondContact OH-NH2 3.02Å; Y127-Y134 AromaticContact CD2-CD1 3.82Å; Y127-Y134 HydrophobicContact CD2-CD1 3.82Å; Y127-Y134 HydrophobicContact CD2-CD2 4.13Å; Y127-Y134 AromaticContact CD2-CE1 3.64Å; Y127-Y134 HydrophobicContact CD2-CE1 3.64Å; Y127-Y134 AromaticContact CD2-CE2 3.95Å; Y127-Y134 HydrophobicContact CD2-CE2 3.95Å; Y127-Y134 HydrophobicContact CD2-CG 4.05Å; Y127-Y134 AromaticContact CD2-CZ 3.65Å; Y127-Y134 HydrophobicContact CE2-CD1 4.45Å; Y127-Y134 HydrophobicContact CE2-CE1 4.04Å |
| 128 | K | 97.5 | Very high | 97.6 | Very high | 113 Ų | 113 | 60.7 Ų | 60.7 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74 | -37.5 | 179.1 | -78.1 | 171.9 | 159.1 | 163.4 | 0 | 113.7 | P115 D116 A124 R125 Q126 | P115-K128 HydrophobicContact CB-CD 3.93Å; P115-K128 HydrophobicContact CB-CG 3.88Å; P115-K128 HydrophobicContact CG-CD 4.36Å; P115-K128 HydrophobicContact CG-CG 4.14Å; P115-K128 PolarHBondContact O-NZ 3.44Å; D116-K128 WeakPolarHBondContact OD1-CE 3.33Å; D116-K128 IonicContact OD1-NZ 3.16Å; D116-K128 PolarHBondContact OD1-NZ 2.97Å; A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 WeakPolarHBondContact O-CG 3.33Å; A124-K128 PolarHBondContact O-N 3.48Å; R125-K128 PolarHBondContact O-N 2.97Å; R125-K128 VanDerWaalsContact O-N 3.17Å; Q126-K128 VanDerWaalsContact C-N 3.25Å; Q126-K128 PolarHBondContact O-N 2.85Å |
| 129 | T | 97.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -99.6 | -27.7 | -171 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | R125 Q126 | R125-T129 HydrophobicContact CG-CG2 4.39Å; R125-T129 WeakPolarHBondContact O-CG2 3.46Å; R125-T129 PolarHBondContact O-N 3.05Å; R125-T129 PolarHBondContact O-OG1 3.49Å; Q126-T129 PolarHBondContact O-N 3.42Å |
| 130 | D | 97.8 | Very high | 97.9 | Very high | 76 Ų | 76 | 66.5 Ų | 66.5 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | trans | -148.5 | 76.7 | -177.1 | -170.4 | -13.2 | 0 | 0 | 0 | 110.3 | Q126 K132 K133 Y134 | Q126-D130 CarbonylContact O-C 3.59Å; Q126-D130 WeakPolarHBondContact O-CA 3.4Å; Q126-D130 PolarHBondContact O-N 3.27Å; Q126-D130 VanDerWaalsContact O-O 3.14Å; D130-K132 PolarHBondContact O-N 3.38Å; D130-K132 PolarHBondContact OD1-N 3.13Å; D130-K133 HydrophobicContact CB-CB 4.19Å; D130-K133 PolarHBondContact O-N 3.41Å; D130-K133 WeakPolarHBondContact OD1-CB 3.42Å; D130-K133 PolarHBondContact OD1-N 2.96Å; D130-K133 VanDerWaalsContact OD2-CB 3.25Å; D130-K133 WeakPolarHBondContact OD2-CB 3.26Å; D130-Y134 PolarHBondContact O-N 3.02Å | ||
| 131 | R | 97.6 | Very high | 98 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.9 | -38.1 | -179.8 | -170.1 | 68.6 | 166.7 | 113.3 | 1.6 | 112.1 | Y127 Y134 D135 | Y127-R131 PolarHBondContact OH-NH2 3.02Å; R131-Y134 PolarHBondContact O-N 3.12Å; R131-D135 IonicContact CZ-OD1 2.73Å; R131-D135 IonicContact NH1-OD1 2.67Å; R131-D135 PolarHBondContact NH1-OD1 3.26Å; R131-D135 PolarHBondContact O-N 3.38Å |
| 132 | K | 98.2 | Very high | 98.1 | Very high | 149 Ų | 149 | 63.7 Ų | 63.7 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.3 | -48.8 | -180 | -176.1 | -178.4 | 175.5 | -173.7 | 0 | 110.7 | D130 Y134 D135 E136 | D130-K132 PolarHBondContact O-N 3.38Å; D130-K132 PolarHBondContact OD1-N 3.13Å; K132-Y134 VanDerWaalsContact C-N 3.33Å; K132-Y134 PolarHBondContact O-N 3.15Å; K132-D135 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact CE-OE1 3.22Å; K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.29Å |
| 133 | K | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 179.3 | -173.1 | 63.9 | -171.1 | 163.8 | 0 | 112.4 | D130 E136 L137 | D130-K133 HydrophobicContact CB-CB 4.19Å; D130-K133 PolarHBondContact O-N 3.41Å; D130-K133 WeakPolarHBondContact OD1-CB 3.42Å; D130-K133 PolarHBondContact OD1-N 2.96Å; D130-K133 VanDerWaalsContact OD2-CB 3.25Å; D130-K133 WeakPolarHBondContact OD2-CB 3.26Å; K133-E136 IonicContact NZ-OE2 2.79Å; K133-E136 PolarHBondContact O-N 2.93Å; K133-L137 HydrophobicContact CG-CD1 4.21Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 3.49Å |
| 134 | Y | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 71 Ų | 71 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 171.7 | 167.5 | -86.4 | 0 | 0 | 0 | 111.2 | P44 Y45 Y74 V123 Y127 D130 R131 K132 E136 L137 A138 | P44-Y134 HydrophobicContact CG-CE1 4.24Å; Y45-Y134 PolarHBondContact OH-OH 2.84Å; Y74-Y134 HydrophobicContact CD1-CD2 4.09Å; Y74-Y134 HydrophobicContact CD1-CE2 4.12Å; Y74-Y134 AromaticContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CD2 3.8Å; Y74-Y134 HydrophobicContact CE1-CE2 4.23Å; V123-Y134 HydrophobicContact CG1-CD2 4.01Å; V123-Y134 HydrophobicContact CG1-CE2 3.72Å; Y127-Y134 AromaticContact CD2-CD1 3.82Å; Y127-Y134 HydrophobicContact CD2-CD1 3.82Å; Y127-Y134 HydrophobicContact CD2-CD2 4.13Å; Y127-Y134 AromaticContact CD2-CE1 3.64Å; Y127-Y134 HydrophobicContact CD2-CE1 3.64Å; Y127-Y134 AromaticContact CD2-CE2 3.95Å; Y127-Y134 HydrophobicContact CD2-CE2 3.95Å; Y127-Y134 HydrophobicContact CD2-CG 4.05Å; Y127-Y134 AromaticContact CD2-CZ 3.65Å; Y127-Y134 HydrophobicContact CE2-CD1 4.45Å; Y127-Y134 HydrophobicContact CE2-CE1 4.04Å; D130-Y134 PolarHBondContact O-N 3.02Å; R131-Y134 PolarHBondContact O-N 3.12Å; K132-Y134 VanDerWaalsContact C-N 3.33Å; K132-Y134 PolarHBondContact O-N 3.15Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 2.63Å; Y134-L137 PolarHBondContact O-N 2.86Å; Y134-A138 HydrophobicContact CE1-CB 4.4Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 3.35Å |
| 135 | D | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 74.5 Ų | 74.5 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | -177.3 | -70.3 | -21.8 | 0 | 0 | 0 | 111.7 | P44 R131 K132 R139 | P44-D135 HydrophobicContact CB-CB 4.38Å; R131-D135 IonicContact CZ-OD1 2.73Å; R131-D135 IonicContact NH1-OD1 2.67Å; R131-D135 PolarHBondContact NH1-OD1 3.26Å; R131-D135 PolarHBondContact O-N 3.38Å; K132-D135 PolarHBondContact O-N 3.35Å; D135-R139 WeakPolarHBondContact O-CB 3.16Å; D135-R139 VanDerWaalsContact O-CG 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.38Å; D135-R139 PolarHBondContact O-N 3.17Å; D135-R139 PolarHBondContact O-NH1 2.78Å |
| 136 | E | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -52.8 | 172 | -75.2 | 172.4 | -172.8 | 0 | 0 | 111.5 | K132 K133 Y134 A138 R139 E140 | K132-E136 VanDerWaalsContact CE-OE1 3.22Å; K132-E136 WeakPolarHBondContact CE-OE1 3.44Å; K132-E136 WeakPolarHBondContact O-CG 3.37Å; K132-E136 PolarHBondContact O-N 3.29Å; K133-E136 IonicContact NZ-OE2 2.79Å; K133-E136 PolarHBondContact O-N 2.93Å; Y134-E136 VanDerWaalsContact C-N 3.33Å; Y134-E136 PolarHBondContact O-N 2.63Å; E136-A138 PolarHBondContact O-N 2.97Å; E136-R139 PolarHBondContact O-N 3.47Å; E136-E140 WeakPolarHBondContact O-CG 3.42Å; E136-E140 PolarHBondContact O-N 3Å |
| 137 | L | 98.2 | Very high | 97.8 | Very high | 34 Ų | 34 | 72.1 Ų | 72.1 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -39.7 | -179.1 | -71.6 | 171.8 | 0 | 0 | 0 | 112.4 | Y74 K133 Y134 E140 W141 | Y74-L137 HydrophobicContact CD1-CB 4.14Å; Y74-L137 HydrophobicContact CE1-CB 3.99Å; Y74-L137 HydrophobicContact CE1-CD1 4.32Å; K133-L137 HydrophobicContact CG-CD1 4.21Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 3.49Å; Y134-L137 PolarHBondContact O-N 2.86Å; L137-E140 PolarHBondContact O-N 3.39Å; L137-W141 PolarHBondContact O-N 3.12Å |
| 138 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P44 Y45 Y74 Y134 E136 W141 T142 | P44-A138 HydrophobicContact CB-CB 3.56Å; P44-A138 HydrophobicContact CG-CB 3.73Å; Y45-A138 HydrophobicContact CE1-CB 4.12Å; Y74-A138 HydrophobicContact CD1-CB 4.25Å; Y134-A138 HydrophobicContact CE1-CB 4.4Å; Y134-A138 WeakPolarHBondContact O-CB 3.42Å; Y134-A138 PolarHBondContact O-N 3.35Å; E136-A138 PolarHBondContact O-N 2.97Å; A138-W141 PolarHBondContact O-N 2.95Å; A138-T142 PolarHBondContact O-N 3.05Å; A138-T142 PolarHBondContact O-OG1 2.87Å |
| 139 | R | 98.3 | Very high | 94.5 | Very high | 116 Ų | 116 | 77.3 Ų | 77.3 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.2 | -74.2 | -177.7 | -161.7 | 101 | 0.6 | 112.6 | P44 D135 E136 W141 T142 Q143 | P44-R139 HydrophobicContact CB-CG 3.78Å; P44-R139 WeakPolarHBondContact O-CA 3.48Å; P44-R139 WeakPolarHBondContact O-CG 3.37Å; D135-R139 WeakPolarHBondContact O-CB 3.16Å; D135-R139 VanDerWaalsContact O-CG 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.38Å; D135-R139 PolarHBondContact O-N 3.17Å; D135-R139 PolarHBondContact O-NH1 2.78Å; E136-R139 PolarHBondContact O-N 3.47Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.26Å; R139-T142 WeakPolarHBondContact O-CB 3.43Å; R139-T142 PolarHBondContact O-N 3.4Å; R139-Q143 WeakPolarHBondContact O-CG 3.25Å; R139-Q143 PolarHBondContact O-N 3.29Å |
| 140 | E | 98.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 76.2 Ų | 76.2 | 47% | 0.472 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 175.8 | -74.6 | 175.5 | -166.1 | 0 | 0 | 111.5 | E136 L137 K144 | E136-E140 WeakPolarHBondContact O-CG 3.42Å; E136-E140 PolarHBondContact O-N 3Å; L137-E140 PolarHBondContact O-N 3.39Å; E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 PolarHBondContact O-N 3.23Å |
| 141 | W | 98.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 76.2 Ų | 76.2 | 21% | 0.212 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | 176.1 | -83.9 | 54.9 | 0 | 0 | 0 | 112.2 | K72 Y74 L80 L137 A138 R139 K144 Y145 | K72-W141 HydrophobicContact CB-CE3 4.27Å; K72-W141 HydrophobicContact CB-CZ3 4.1Å; Y74-W141 HydrophobicContact CD2-CD2 4.31Å; Y74-W141 AromaticContact CD2-CE2 3.97Å; Y74-W141 HydrophobicContact CD2-CZ2 4.13Å; Y74-W141 HydrophobicContact CG-CD2 4.47Å; L80-W141 HydrophobicContact CD2-CH2 3.64Å; L80-W141 HydrophobicContact CD2-CZ3 4.12Å; L137-W141 PolarHBondContact O-N 3.12Å; A138-W141 PolarHBondContact O-N 2.95Å; R139-W141 VanDerWaalsContact C-N 3.3Å; R139-W141 PolarHBondContact O-N 3.26Å; W141-K144 PolarHBondContact O-N 3.46Å; W141-Y145 HydrophobicContact CB-CD2 4.08Å; W141-Y145 HydrophobicContact CB-CE2 4.34Å; W141-Y145 HydrophobicContact CD2-CD2 4.03Å; W141-Y145 AromaticContact CD2-CE2 3.65Å; W141-Y145 HydrophobicContact CD2-CE2 3.65Å; W141-Y145 AromaticContact CE3-CD2 3.88Å; W141-Y145 HydrophobicContact CE3-CD2 3.88Å; W141-Y145 AromaticContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CG-CD2 4.14Å; W141-Y145 AromaticContact CG-CE2 3.93Å; W141-Y145 HydrophobicContact CG-CE2 3.93Å; W141-Y145 HydrophobicContact CZ3-CE2 4.34Å; W141-Y145 WeakPolarHBondContact O-CB 3.35Å; W141-Y145 VanDerWaalsContact O-CD2 3.26Å; W141-Y145 WeakPolarHBondContact O-CD2 3.43Å; W141-Y145 PolarHBondContact O-N 3.24Å |
| 142 | T | 98.5 | Very high | 94 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | P44 Y45 F50 A138 R139 K144 A146 M147 | P44-T142 PolarHBondContact O-OG1 3.47Å; Y45-T142 WeakPolarHBondContact CA-OG1 3.07Å; Y45-T142 WeakPolarHBondContact O-CG2 3.48Å; F50-T142 HydrophobicContact CZ-CG2 4.22Å; A138-T142 PolarHBondContact O-N 3.05Å; A138-T142 PolarHBondContact O-OG1 2.87Å; R139-T142 WeakPolarHBondContact O-CB 3.43Å; R139-T142 PolarHBondContact O-N 3.4Å; T142-K144 VanDerWaalsContact C-N 3.33Å; T142-K144 PolarHBondContact O-N 3.46Å; T142-A146 HydrophobicContact CG2-CB 4.3Å; T142-A146 CarbonylContact O-C 3.57Å; T142-A146 WeakPolarHBondContact O-CA 3.48Å; T142-A146 WeakPolarHBondContact O-CB 3.45Å; T142-A146 PolarHBondContact O-N 2.92Å; T142-M147 HydrophobicContact CG2-CG 4.42Å; T142-M147 PolarHBondContact O-N 2.67Å; T142-M147 VanDerWaalsContact O-N 3.16Å |
| 143 | Q | 97.5 | Very high | 93.8 | Very high | 129 Ų | 129 | 71.1 Ų | 71.1 | 60% | 0.603 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.9 | -44.9 | 177.1 | -72.7 | 177.6 | 5.9 | 0 | 0 | 111.9 | R139 M147 | R139-Q143 WeakPolarHBondContact O-CG 3.25Å; R139-Q143 PolarHBondContact O-N 3.29Å; Q143-M147 HydrophobicContact CB-SD 4.36Å; Q143-M147 HydrophobicContact CG-SD 3.81Å |
| 144 | K | 97.5 | Very high | 93.5 | Very high | 150 Ų | 150 | 70.8 Ų | 70.8 | 65% | 0.652 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -73.4 | -36.1 | -174.3 | -173.8 | 173.3 | 178 | -176.2 | 0 | 114.1 | E140 W141 T142 | E140-K144 VanDerWaalsContact O-CB 3.27Å; E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 PolarHBondContact O-N 3.23Å; W141-K144 PolarHBondContact O-N 3.46Å; T142-K144 VanDerWaalsContact C-N 3.33Å; T142-K144 PolarHBondContact O-N 3.46Å |
| 145 | Y | 97.7 | Very high | 93.2 | Very high | 77 Ų | 77 | 75.5 Ų | 75.5 | 30% | 0.302 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -117.4 | -21.2 | -168.2 | -56 | -61.5 | 0 | 0 | 0 | 114.2 | T71 K72 W141 | T71-Y145 WeakPolarHBondContact CG2-O 3.22Å; K72-Y145 HydrophobicContact CB-CD1 4.37Å; K72-Y145 HydrophobicContact CB-CD2 3.94Å; K72-Y145 HydrophobicContact CB-CE2 4.43Å; K72-Y145 HydrophobicContact CB-CG 3.91Å; K72-Y145 HydrophobicContact CD-CD1 4.27Å; K72-Y145 HydrophobicContact CD-CE1 4.11Å; W141-Y145 HydrophobicContact CB-CD2 4.08Å; W141-Y145 HydrophobicContact CB-CE2 4.34Å; W141-Y145 HydrophobicContact CD2-CD2 4.03Å; W141-Y145 AromaticContact CD2-CE2 3.65Å; W141-Y145 HydrophobicContact CD2-CE2 3.65Å; W141-Y145 AromaticContact CE3-CD2 3.88Å; W141-Y145 HydrophobicContact CE3-CD2 3.88Å; W141-Y145 AromaticContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CE3-CE2 3.74Å; W141-Y145 HydrophobicContact CG-CD2 4.14Å; W141-Y145 AromaticContact CG-CE2 3.93Å; W141-Y145 HydrophobicContact CG-CE2 3.93Å; W141-Y145 HydrophobicContact CZ3-CE2 4.34Å; W141-Y145 WeakPolarHBondContact O-CB 3.35Å; W141-Y145 VanDerWaalsContact O-CD2 3.26Å; W141-Y145 WeakPolarHBondContact O-CD2 3.43Å; W141-Y145 PolarHBondContact O-N 3.24Å |
| 146 | A | 97.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 78.8 Ų | 78.8 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -14.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I49 F50 T71 T142 | I49-A146 PolarHBondContact N-O 2.73Å; F50-A146 HydrophobicContact CD1-CB 4.04Å; F50-A146 HydrophobicContact CE1-CB 3.6Å; F50-A146 HydrophobicContact CE2-CB 4.22Å; F50-A146 HydrophobicContact CZ-CB 3.7Å; T71-A146 HydrophobicContact CG2-CB 3.9Å; T142-A146 HydrophobicContact CG2-CB 4.3Å; T142-A146 CarbonylContact O-C 3.57Å; T142-A146 WeakPolarHBondContact O-CA 3.48Å; T142-A146 WeakPolarHBondContact O-CB 3.45Å; T142-A146 PolarHBondContact O-N 2.92Å |
| 147 | M | 93.7 | Very high | 92.3 | Very high | 99 Ų | 99 | 79.6 Ų | 79.6 | 49% | 0.488 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -89.1 | -2.2 | -179.4 | -65.6 | -168.6 | 81.4 | 0 | 0 | 114.6 | T142 Q143 | T142-M147 HydrophobicContact CG2-CG 4.42Å; T142-M147 PolarHBondContact O-N 2.67Å; T142-M147 VanDerWaalsContact O-N 3.16Å; Q143-M147 HydrophobicContact CB-SD 4.36Å; Q143-M147 HydrophobicContact CG-SD 3.81Å |
| 148 | G | 76.4 | Confident | 91.9 | Very high | 56 Ų | 56 | 83.4 Ų | 83.4 | 58% | 0.577 | 43% | 0.43 | S | S | * | . | trans | 64.8 | 169 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 149 | P | 50.1 | Low | 91.3 | Very high | 209 Ų | 209 | 91 Ų | 91 | 100% | 1.357 | 47% | 0.469 | S | S | * | . | trans | -67.6 | 0 | 163.4 | 30.9 | -33.1 | 0 | 0 | 0 | 112.2 |
Retrieved 149 of 149 residues in 186.9 ms
(Link to these results)