| 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 | 55 | Low | 90.2 | Very high | 203 Ų | 203 | 70.1 Ų | 70.1 | 100% | 1 | 41% | 0.406 | S | S | * | . | 0 | -19 | 0 | -77.3 | -170.9 | -80.8 | 0 | 0 | 113.7 | G3 I4 | M1-G3 PolarHBondContact O-N 2.71Å; M1-G3 VanDerWaalsContact O-N 3.11Å; M1-I4 PolarHBondContact O-N 3.28Å | |||
| 2 | S | 65.3 | Low | 90.9 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.1 | -24.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 116.4 | I4 A5 L6 | S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.89Å; S2-A5 PolarHBondContact O-N 3.18Å; S2-L6 WeakPolarHBondContact O-CG 3.42Å; S2-L6 PolarHBondContact O-N 3.01Å; S2-L6 VanDerWaalsContact O-N 3.08Å |
| 3 | G | 89.1 | Confident | 91.5 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -32.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1 S7 | M1-G3 PolarHBondContact O-N 2.71Å; M1-G3 VanDerWaalsContact O-N 3.11Å; G3-S7 VanDerWaalsContact O-CB 3.27Å; G3-S7 WeakPolarHBondContact O-CB 3.35Å; G3-S7 PolarHBondContact O-N 2.87Å |
| 4 | I | 95.8 | Very high | 92 | Very high | 119 Ų | 119 | 73.4 Ų | 73.4 | 61% | 0.61 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.5 | -47.8 | 177.5 | -64.1 | 174.1 | 0 | 0 | 0 | 109.8 | M1 S2 L6 S7 R8 | M1-I4 PolarHBondContact O-N 3.28Å; S2-I4 VanDerWaalsContact C-N 3.31Å; S2-I4 PolarHBondContact O-N 2.89Å; I4-L6 PolarHBondContact O-N 3.41Å; I4-S7 PolarHBondContact O-N 3.43Å; I4-R8 PolarHBondContact O-N 3.07Å |
| 5 | A | 97.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.9 | -52.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2 S7 R8 L9 M39 Y68 | S2-A5 PolarHBondContact O-N 3.18Å; A5-S7 VanDerWaalsContact C-N 3.35Å; A5-S7 PolarHBondContact O-N 3.34Å; A5-R8 PolarHBondContact O-N 3.47Å; A5-L9 WeakPolarHBondContact O-CB 3.31Å; A5-L9 WeakPolarHBondContact O-CD1 3.38Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.43Å; A5-L9 PolarHBondContact O-N 3.01Å; A5-M39 HydrophobicContact CB-CE 4.17Å; A5-M39 HydrophobicContact CB-SD 4.28Å; A5-Y68 WeakPolarHBondContact CA-O 3.47Å; A5-Y68 HydrophobicContact CB-CD1 4.34Å; A5-Y68 WeakPolarHBondContact CB-O 3.47Å; A5-Y68 PolarHBondContact N-O 3.04Å |
| 6 | L | 97.8 | Very high | 92.8 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 37% | 0.372 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | -178.9 | -66 | 175.4 | 0 | 0 | 0 | 112.6 | S2 I4 L9 A10 L38 M39 | S2-L6 WeakPolarHBondContact O-CG 3.42Å; S2-L6 PolarHBondContact O-N 3.01Å; S2-L6 VanDerWaalsContact O-N 3.08Å; I4-L6 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 3.29Å; L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.45Å; L6-L38 HydrophobicContact CD2-CB 3.86Å; L6-L38 HydrophobicContact CD2-CD1 4.29Å; L6-M39 HydrophobicContact CD2-CG 4.16Å; L6-M39 HydrophobicContact CD2-SD 3.79Å |
| 7 | S | 98.1 | Very high | 93.2 | Very high | 66 Ų | 66 | 75.3 Ų | 75.3 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | G3 I4 A5 A10 Q11 | G3-S7 VanDerWaalsContact O-CB 3.27Å; G3-S7 WeakPolarHBondContact O-CB 3.35Å; G3-S7 PolarHBondContact O-N 2.87Å; I4-S7 PolarHBondContact O-N 3.43Å; A5-S7 VanDerWaalsContact C-N 3.35Å; A5-S7 PolarHBondContact O-N 3.34Å; S7-A10 PolarHBondContact O-N 3.4Å; S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 2.86Å |
| 8 | R | 98.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 81.8 Ų | 81.8 | 14% | 0.14 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.1 | 177 | 56.8 | -179 | -73.2 | -9 | 112 | I4 A5 A10 Q11 E12 Y68 P69 P105 I107 | I4-R8 PolarHBondContact O-N 3.07Å; A5-R8 PolarHBondContact O-N 3.47Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 2.8Å; R8-Q11 WeakPolarHBondContact O-CA 3.5Å; R8-Q11 WeakPolarHBondContact O-CB 3.3Å; R8-Q11 PolarHBondContact O-N 3.14Å; R8-E12 IonicContact CZ-OE1 2.84Å; R8-E12 VanDerWaalsContact CZ-OE1 3.25Å; R8-E12 IonicContact NE-OE1 2.82Å; R8-E12 PolarHBondContact NE-OE1 3.29Å; R8-E12 IonicContact NH2-OE1 2.8Å; R8-E12 PolarHBondContact NH2-OE1 3.45Å; R8-E12 PolarHBondContact O-N 3.36Å; R8-Y68 HydrophobicContact CB-CD1 4.46Å; R8-Y68 HydrophobicContact CB-CE1 3.93Å; R8-Y68 HydrophobicContact CG-CD1 4.32Å; R8-Y68 HydrophobicContact CG-CE1 3.42Å; R8-Y68 VanDerWaalsContact CG-CE1 3.42Å; R8-P69 HydrophobicContact CG-CB 4.27Å; R8-P69 HydrophobicContact CG-CG 4.23Å; R8-P105 VanDerWaalsContact CZ-O 3.29Å; R8-P105 PolarHBondContact NH1-O 3.39Å; R8-P105 PolarHBondContact NH2-O 3.45Å; R8-I107 PolarHBondContact NH2-O 2.74Å |
| 9 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 179.2 | -71.3 | 160.2 | 0 | 0 | 0 | 112.5 | A5 L6 Q11 E12 R13 L38 M39 W41 F64 Y68 | A5-L9 WeakPolarHBondContact O-CB 3.31Å; A5-L9 WeakPolarHBondContact O-CD1 3.38Å; A5-L9 VanDerWaalsContact O-CG 3.24Å; A5-L9 WeakPolarHBondContact O-CG 3.43Å; A5-L9 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.29Å; L9-Q11 VanDerWaalsContact C-N 3.33Å; L9-E12 PolarHBondContact O-N 3Å; L9-R13 WeakPolarHBondContact O-CB 3.42Å; L9-R13 PolarHBondContact O-N 3.42Å; L9-L38 HydrophobicContact CB-CB 4.01Å; L9-L38 HydrophobicContact CB-CD1 4.36Å; L9-L38 HydrophobicContact CD1-CB 4.17Å; L9-L38 VanDerWaalsContact CD1-O 3.29Å; L9-L38 WeakPolarHBondContact CD1-O 3.48Å; L9-M39 HydrophobicContact CD1-SD 3.39Å; L9-M39 WeakPolarHBondContact CD1-SD 3.49Å; L9-W41 HydrophobicContact CD2-CZ2 4.33Å; L9-F64 HydrophobicContact CD1-CB 4.36Å; L9-F64 HydrophobicContact CD1-CG 4.33Å; L9-F64 HydrophobicContact CD2-CD1 3.61Å; L9-F64 HydrophobicContact CD2-CD2 3.86Å; L9-F64 HydrophobicContact CD2-CE1 3.51Å; L9-F64 HydrophobicContact CD2-CE2 3.8Å; L9-F64 HydrophobicContact CD2-CG 3.77Å; L9-F64 HydrophobicContact CD2-CZ 3.6Å; L9-Y68 HydrophobicContact CD1-CD1 4.23Å; L9-Y68 HydrophobicContact CD2-CD1 4.13Å; L9-Y68 HydrophobicContact CD2-CE1 3.73Å; L9-Y68 HydrophobicContact CG-CD1 3.88Å; L9-Y68 HydrophobicContact CG-CE1 3.72Å |
| 10 | A | 98.3 | Very high | 93.9 | Very high | 49 Ų | 49 | 82.4 Ų | 82.4 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L6 S7 R8 K14 L38 | L6-A10 WeakPolarHBondContact O-CB 3.37Å; L6-A10 PolarHBondContact O-N 3.45Å; S7-A10 PolarHBondContact O-N 3.4Å; R8-A10 VanDerWaalsContact C-N 3.29Å; R8-A10 PolarHBondContact O-N 2.8Å; A10-K14 WeakPolarHBondContact O-CB 3.44Å; A10-K14 PolarHBondContact O-N 3.21Å; A10-L38 HydrophobicContact CB-CD1 4.4Å |
| 11 | Q | 98.5 | Very high | 94.1 | Very high | 117 Ų | 117 | 79.8 Ų | 79.8 | 55% | 0.547 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | 174.1 | -65.9 | 173.3 | 5.5 | 0 | 0 | 111.8 | S7 R8 L9 R13 K14 A15 | S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 2.86Å; R8-Q11 WeakPolarHBondContact O-CA 3.5Å; R8-Q11 WeakPolarHBondContact O-CB 3.3Å; R8-Q11 PolarHBondContact O-N 3.14Å; L9-Q11 VanDerWaalsContact C-N 3.33Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.44Å; Q11-K14 PolarHBondContact O-N 3.39Å; Q11-K14 VanDerWaalsContact O-N 3.16Å; Q11-A15 WeakPolarHBondContact O-CB 3.35Å; Q11-A15 PolarHBondContact O-N 3.44Å |
| 12 | E | 98.8 | Very high | 96.1 | Very high | 13 Ų | 13 | 80 Ų | 80 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.6 | -69.8 | -67.5 | 148.1 | 0 | 0 | 111 | R8 L9 K14 A15 W16 W41 T108 I109 | R8-E12 IonicContact CZ-OE1 2.84Å; R8-E12 VanDerWaalsContact CZ-OE1 3.25Å; R8-E12 IonicContact NE-OE1 2.82Å; R8-E12 PolarHBondContact NE-OE1 3.29Å; R8-E12 IonicContact NH2-OE1 2.8Å; R8-E12 PolarHBondContact NH2-OE1 3.45Å; R8-E12 PolarHBondContact O-N 3.36Å; L9-E12 PolarHBondContact O-N 3Å; E12-K14 PolarHBondContact O-N 3.35Å; E12-A15 PolarHBondContact O-N 3.04Å; E12-W16 WeakPolarHBondContact O-CB 3.45Å; E12-W16 PolarHBondContact O-N 2.95Å; E12-W41 HydrophobicContact CB-CH2 4.4Å; E12-T108 WeakPolarHBondContact OE2-CA 3.44Å; E12-I109 HydrophobicContact CB-CD1 3.73Å; E12-I109 HydrophobicContact CB-CG1 4.16Å; E12-I109 HydrophobicContact CG-CD1 4.1Å; E12-I109 HydrophobicContact CG-CG1 4.11Å; E12-I109 PolarHBondContact OE2-N 2.87Å |
| 13 | R | 98.5 | Very high | 97.7 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.9 | -175.6 | 179.1 | 178 | -107.8 | 0.1 | 112.2 | L9 Q11 R17 W41 | L9-R13 WeakPolarHBondContact O-CB 3.42Å; L9-R13 PolarHBondContact O-N 3.42Å; Q11-R13 VanDerWaalsContact C-N 3.32Å; Q11-R13 PolarHBondContact O-N 3.44Å; R13-R17 WeakPolarHBondContact O-CB 3.44Å; R13-R17 VanDerWaalsContact O-CG 3.28Å; R13-R17 WeakPolarHBondContact O-CG 3.16Å; R13-R17 PolarHBondContact O-N 2.87Å; R13-W41 HydrophobicContact CB-CH2 3.75Å; R13-W41 HydrophobicContact CB-CZ2 4.16Å; R13-W41 HydrophobicContact CG-CH2 4.39Å |
| 14 | K | 98.6 | Very high | 98.2 | Very high | 167 Ų | 167 | 76.8 Ų | 76.8 | 73% | 0.726 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 177.5 | -175.8 | 179.2 | 178.4 | -179.9 | 0 | 111.1 | A10 Q11 E12 K18 | A10-K14 WeakPolarHBondContact O-CB 3.44Å; A10-K14 PolarHBondContact O-N 3.21Å; Q11-K14 PolarHBondContact O-N 3.39Å; Q11-K14 VanDerWaalsContact O-N 3.16Å; E12-K14 PolarHBondContact O-N 3.35Å; K14-K18 PolarHBondContact O-N 3.08Å |
| 15 | A | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 74.1 Ų | 74.1 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q11 E12 R17 K18 D19 | Q11-A15 WeakPolarHBondContact O-CB 3.35Å; Q11-A15 PolarHBondContact O-N 3.44Å; E12-A15 PolarHBondContact O-N 3.04Å; A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 3.35Å; A15-K18 WeakPolarHBondContact O-CB 3.41Å; A15-K18 PolarHBondContact O-N 3.05Å; A15-D19 PolarHBondContact O-N 3.02Å |
| 16 | W | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 7% | 0.072 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 177.9 | -176.6 | -87.2 | 0 | 0 | 0 | 112.8 | E12 K18 D19 H20 F24 A26 I109 K110 L113 | E12-W16 WeakPolarHBondContact O-CB 3.45Å; E12-W16 PolarHBondContact O-N 2.95Å; W16-K18 PolarHBondContact O-N 3.2Å; W16-D19 CarbonylContact O-C 3.59Å; W16-D19 PolarHBondContact O-N 2.81Å; W16-H20 HydrophobicContact CD2-CB 3.52Å; W16-H20 AromaticContact CE2-CD2 3.95Å; W16-H20 AromaticContact CE2-CG 3.6Å; W16-H20 HydrophobicContact CE3-CB 3.81Å; W16-H20 HydrophobicContact CG-CB 4.07Å; W16-H20 HydrophobicContact CH2-CB 3.87Å; W16-H20 HydrophobicContact CZ2-CB 3.59Å; W16-H20 AromaticContact CZ2-CD2 3.86Å; W16-H20 AromaticContact CZ2-CG 3.86Å; W16-H20 HydrophobicContact CZ3-CB 3.97Å; W16-H20 AromaticContact NE1-CD2 3.91Å; W16-H20 AromaticContact NE1-CG 3.58Å; W16-H20 AromaticContact NE1-ND1 3.8Å; W16-H20 PolarHBondContact O-ND1 3.21Å; W16-F24 HydrophobicContact CH2-CB 3.65Å; W16-F24 HydrophobicContact CH2-CG 4.44Å; W16-F24 HydrophobicContact CZ2-CB 3.82Å; W16-A26 HydrophobicContact CD2-CB 3.87Å; W16-A26 VanDerWaalsContact CE2-CB 3.5Å; W16-A26 HydrophobicContact CE3-CB 4.31Å; W16-A26 HydrophobicContact CG-CB 4.41Å; W16-A26 HydrophobicContact CH2-CB 4.11Å; W16-A26 HydrophobicContact CZ2-CB 3.64Å; W16-A26 HydrophobicContact CZ3-CB 4.42Å; W16-I109 HydrophobicContact CE3-CG2 4.41Å; W16-K110 HydrophobicContact CE3-CB 4.33Å; W16-K110 HydrophobicContact CZ3-CB 4.17Å; W16-L113 HydrophobicContact CH2-CD1 3.46Å; W16-L113 VanDerWaalsContact CH2-CD1 3.46Å; W16-L113 HydrophobicContact CZ2-CD1 4.28Å; W16-L113 HydrophobicContact CZ3-CD1 3.67Å |
| 17 | R | 98.2 | Very high | 98.4 | Very high | 177 Ų | 177 | 74.9 Ų | 74.9 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66 | -26.3 | 177.6 | -74.7 | -176.5 | 69.3 | 175.2 | 2.5 | 113.3 | R13 A15 | R13-R17 WeakPolarHBondContact O-CB 3.44Å; R13-R17 VanDerWaalsContact O-CG 3.28Å; R13-R17 WeakPolarHBondContact O-CG 3.16Å; R13-R17 PolarHBondContact O-N 2.87Å; A15-R17 VanDerWaalsContact C-N 3.34Å; A15-R17 PolarHBondContact O-N 3.35Å |
| 18 | K | 98.3 | Very high | 98.4 | Very high | 193 Ų | 193 | 72.2 Ų | 72.2 | 84% | 0.839 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.4 | -44.6 | 176.5 | -176.8 | -178.4 | 177.2 | -175.7 | 0 | 111 | K14 A15 W16 | K14-K18 PolarHBondContact O-N 3.08Å; A15-K18 WeakPolarHBondContact O-CB 3.41Å; A15-K18 PolarHBondContact O-N 3.05Å; W16-K18 PolarHBondContact O-N 3.2Å |
| 19 | D | 97.5 | Very high | 98.4 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | trans | -153 | 122.9 | -179.4 | 174.3 | 55.2 | 0 | 0 | 0 | 110.6 | A15 W16 K110 | A15-D19 PolarHBondContact O-N 3.02Å; W16-D19 CarbonylContact O-C 3.59Å; W16-D19 PolarHBondContact O-N 2.81Å; D19-K110 IonicContact OD2-NZ 3.41Å; D19-K110 PolarHBondContact OD2-NZ 3.44Å | ||
| 20 | H | 98.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 79.3 Ų | 79.3 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | trans | -144 | 154.4 | 170.8 | 61.4 | -83.1 | 0 | 0 | 0 | 110.5 | W16 F22 F24 | W16-H20 HydrophobicContact CD2-CB 3.52Å; W16-H20 AromaticContact CE2-CD2 3.95Å; W16-H20 AromaticContact CE2-CG 3.6Å; W16-H20 HydrophobicContact CE3-CB 3.81Å; W16-H20 HydrophobicContact CG-CB 4.07Å; W16-H20 HydrophobicContact CH2-CB 3.87Å; W16-H20 HydrophobicContact CZ2-CB 3.59Å; W16-H20 AromaticContact CZ2-CD2 3.86Å; W16-H20 AromaticContact CZ2-CG 3.86Å; W16-H20 HydrophobicContact CZ3-CB 3.97Å; W16-H20 AromaticContact NE1-CD2 3.91Å; W16-H20 AromaticContact NE1-CG 3.58Å; W16-H20 AromaticContact NE1-ND1 3.8Å; W16-H20 PolarHBondContact O-ND1 3.21Å; H20-F22 PolarHBondContact O-N 3.37Å; H20-F24 PolarHBondContact CD2-O 2.71Å | ||
| 21 | P | 98.3 | Very high | 98 | Very high | 29 Ų | 29 | 79.6 Ų | 79.6 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | trans | -61.9 | 136.5 | 179.9 | -17.3 | 30.7 | 0 | 0 | 0 | 111 | G23 F24 K110 L114 | P21-G23 PolarHBondContact O-N 2.66Å; P21-F24 HydrophobicContact CB-CD2 3.63Å; P21-F24 HydrophobicContact CB-CE2 3.92Å; P21-F24 HydrophobicContact CB-CG 4.32Å; P21-F24 HydrophobicContact CG-CD2 4.32Å; P21-F24 WeakPolarHBondContact O-CB 3.35Å; P21-F24 PolarHBondContact O-N 2.89Å; P21-K110 HydrophobicContact CG-CG 4.22Å; P21-L114 HydrophobicContact CB-CD2 4.42Å; P21-L114 HydrophobicContact CG-CD1 4.29Å; P21-L114 HydrophobicContact CG-CD2 3.96Å; P21-L114 HydrophobicContact CG-CG 4.23Å | ||
| 22 | F | 97.7 | Very high | 97.9 | Very high | 206 Ų | 206 | 81 Ų | 81 | 90% | 0.904 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 137.3 | -179.6 | 179.2 | -96 | 0 | 0 | 0 | 111.8 | H20 F24 | H20-F22 PolarHBondContact O-N 3.37Å; F22-F24 VanDerWaalsContact C-N 3.26Å; F22-F24 PolarHBondContact O-N 3.49Å |
| 23 | G | 97.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P21 | P21-G23 PolarHBondContact O-N 2.66Š|
| 24 | F | 98.8 | Very high | 97.5 | Very high | 8 Ų | 8 | 84.8 Ų | 84.8 | 4% | 0.035 | 45% | 0.445 | C | S | . | . | trans | -80.7 | 146.6 | 172.7 | -73.7 | -109.6 | 0 | 0 | 0 | 111.5 | W16 H20 P21 F22 A44 I45 P46 L113 L114 Q117 | W16-F24 HydrophobicContact CH2-CB 3.65Å; W16-F24 HydrophobicContact CH2-CG 4.44Å; W16-F24 HydrophobicContact CZ2-CB 3.82Å; H20-F24 PolarHBondContact CD2-O 2.71Å; P21-F24 HydrophobicContact CB-CD2 3.63Å; P21-F24 HydrophobicContact CB-CE2 3.92Å; P21-F24 HydrophobicContact CB-CG 4.32Å; P21-F24 HydrophobicContact CG-CD2 4.32Å; P21-F24 WeakPolarHBondContact O-CB 3.35Å; P21-F24 PolarHBondContact O-N 2.89Å; F22-F24 VanDerWaalsContact C-N 3.26Å; F22-F24 PolarHBondContact O-N 3.49Å; F24-A44 WeakPolarHBondContact CA-O 3.43Å; F24-I45 HydrophobicContact CD1-CB 4.47Å; F24-I45 HydrophobicContact CD1-CG1 4.09Å; F24-I45 HydrophobicContact CD1-CG2 4.45Å; F24-I45 HydrophobicContact CE1-CB 4.22Å; F24-I45 HydrophobicContact CE1-CG1 3.96Å; F24-I45 HydrophobicContact CE1-CG2 3.77Å; F24-I45 HydrophobicContact CZ-CG2 4.18Å; F24-P46 HydrophobicContact CD2-CG 3.72Å; F24-P46 HydrophobicContact CE2-CG 3.78Å; F24-P46 HydrophobicContact CG-CG 4.36Å; F24-P46 HydrophobicContact CZ-CG 4.44Å; F24-L113 HydrophobicContact CD1-CB 3.9Å; F24-L113 HydrophobicContact CE1-CB 3.96Å; F24-L114 HydrophobicContact CE2-CD2 4.32Å; F24-L114 HydrophobicContact CZ-CD2 3.95Å; F24-Q117 HydrophobicContact CE1-CB 4.27Å; F24-Q117 HydrophobicContact CZ-CB 3.89Å; F24-Q117 VanDerWaalsContact CZ-CD 3.42Å; F24-Q117 HydrophobicContact CZ-CG 4.13Å | ||
| 25 | V | 98.7 | Very high | 97.3 | Very high | 64 Ų | 64 | 80.1 Ų | 80.1 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.3 | 175.2 | -178 | 0 | 0 | 0 | 0 | 108.9 | V27 C43 A44 | V25-V27 HydrophobicContact CG1-CG2 4.12Å; V25-C43 CarbonylContact O-C 3.34Å; V25-C43 WeakPolarHBondContact O-CA 3.46Å; V25-C43 WeakPolarHBondContact O-CB 3.48Å; V25-A44 HydrophobicContact CB-CB 3.93Å; V25-A44 HydrophobicContact CG2-CB 4.22Å; V25-A44 PolarHBondContact N-O 3.27Å; V25-A44 PolarHBondContact O-N 3.39Å |
| 26 | A | 98.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 81.6 Ų | 81.6 | 5% | 0.05 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 112.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | W16 W41 I109 L113 | W16-A26 HydrophobicContact CD2-CB 3.87Å; W16-A26 VanDerWaalsContact CE2-CB 3.5Å; W16-A26 HydrophobicContact CE3-CB 4.31Å; W16-A26 HydrophobicContact CG-CB 4.41Å; W16-A26 HydrophobicContact CH2-CB 4.11Å; W16-A26 HydrophobicContact CZ2-CB 3.64Å; W16-A26 HydrophobicContact CZ3-CB 4.42Å; A26-W41 HydrophobicContact CB-CE3 3.96Å; A26-W41 HydrophobicContact CB-CZ3 4.09Å; A26-I109 HydrophobicContact CB-CG2 4.39Å; A26-L113 HydrophobicContact CB-CD1 3.92Å |
| 27 | V | 98.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 82.7 Ų | 82.7 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 132.1 | -176.5 | -171.2 | 0 | 0 | 0 | 0 | 110 | V25 W41 E42 | V25-V27 HydrophobicContact CG1-CG2 4.12Å; V27-W41 CarbonylContact O-C 3.4Å; V27-W41 WeakPolarHBondContact O-CA 3.47Å; V27-E42 PolarHBondContact N-O 3.44Å; V27-E42 PolarHBondContact O-N 2.85Å |
| 28 | P | 98.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 75.6 Ų | 75.6 | 7% | 0.065 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 144.7 | 170.6 | -16.4 | 26.7 | 0 | 0 | 0 | 111.5 | M36 N37 L38 W41 | P28-M36 HydrophobicContact CB-CG 3.74Å; P28-M36 HydrophobicContact CB-SD 4.08Å; P28-M36 HydrophobicContact CG-CG 4.26Å; P28-M36 HydrophobicContact CG-SD 3.91Å; P28-N37 WeakPolarHBondContact CB-O 3.49Å; P28-L38 HydrophobicContact CB-CD2 4.07Å; P28-L38 HydrophobicContact CG-CD2 3.71Å; P28-W41 HydrophobicContact CB-CD2 4.47Å; P28-W41 HydrophobicContact CB-CG 4.46Å; P28-W41 HydrophobicContact CG-CD2 4Å; P28-W41 HydrophobicContact CG-CE3 4.43Å; P28-W41 HydrophobicContact CG-CG 4.48Å; P28-W41 HydrophobicContact CG-CH2 4.39Å; P28-W41 HydrophobicContact CG-CZ2 3.93Å |
| 29 | T | 98.3 | Very high | 97.1 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 169.5 | 176 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | N37 N40 E42 | T29-N37 PolarHBondContact O-N 2.95Å; T29-N40 WeakPolarHBondContact CB-O 3.48Å; T29-N40 WeakPolarHBondContact CG2-O 3.33Å; T29-N40 PolarHBondContact N-O 2.8Å; T29-N40 PolarHBondContact OG1-O 3.46Å; T29-E42 HydrophobicContact CG2-CG 3.74Å |
| 30 | K | 96.2 | Very high | 97.1 | Very high | 170 Ų | 170 | 64.4 Ų | 64.4 | 74% | 0.739 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 139.7 | 171.6 | -65.4 | -177.5 | 179.6 | -179.4 | 0 | 109.8 | T35 | K30-T35 CarbonylContact C-O 3.35Å; K30-T35 VanDerWaalsContact CA-O 3.31Å; K30-T35 WeakPolarHBondContact CA-O 3.28Å |
| 31 | N | 93.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 60.7 Ų | 60.7 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | trans | -71 | 164.1 | 167 | -69 | -38.7 | 0 | 0 | 0 | 110.4 | D33 G34 T35 N37 | N31-D33 WeakPolarHBondContact CB-OD1 3.39Å; N31-D33 PolarHBondContact O-N 3.22Å; N31-G34 PolarHBondContact O-N 2.95Å; N31-T35 WeakPolarHBondContact CB-OG1 3.3Å; N31-T35 PolarHBondContact N-O 2.83Å; N31-T35 PolarHBondContact ND2-OG1 2.7Å; N31-N37 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 32 | P | 94.8 | Very high | 97.2 | Very high | 145 Ų | 145 | 64.8 Ų | 64.8 | 94% | 0.942 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -28.6 | 178.2 | -26.8 | 36 | 0 | 0 | 0 | 114.5 | G34 | P32-G34 PolarHBondContact O-N 3.4Š|
| 33 | D | 94.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 55.2 Ų | 55.2 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 2.4 | 176.3 | 67.4 | -1.7 | 0 | 0 | 0 | 113.7 | N31 T35 | N31-D33 WeakPolarHBondContact CB-OD1 3.39Å; N31-D33 PolarHBondContact O-N 3.22Å; D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 PolarHBondContact O-N 3.25Å; D33-T35 VanDerWaalsContact OD1-CB 3.3Å; D33-T35 WeakPolarHBondContact OD1-CB 3.48Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.21Å; D33-T35 PolarHBondContact OD1-N 3.03Å; D33-T35 PolarHBondContact OD1-OG1 3.45Å; D33-T35 WeakPolarHBondContact OD2-CG2 3.4Å; D33-T35 PolarHBondContact OD2-OG1 2.66Å |
| 34 | G | 94.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 53.8 Ų | 53.8 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 84 | -4.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N31 P32 | N31-G34 PolarHBondContact O-N 2.95Å; P32-G34 PolarHBondContact O-N 3.4Å |
| 35 | T | 94.9 | Very high | 97.3 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | trans | -70.5 | 157.6 | 175.3 | 65.5 | 0 | 0 | 0 | 0 | 111.3 | K30 N31 D33 | K30-T35 CarbonylContact C-O 3.35Å; K30-T35 VanDerWaalsContact CA-O 3.31Å; K30-T35 WeakPolarHBondContact CA-O 3.28Å; N31-T35 WeakPolarHBondContact CB-OG1 3.3Å; N31-T35 PolarHBondContact N-O 2.83Å; N31-T35 PolarHBondContact ND2-OG1 2.7Å; D33-T35 VanDerWaalsContact C-N 3.3Å; D33-T35 PolarHBondContact O-N 3.25Å; D33-T35 VanDerWaalsContact OD1-CB 3.3Å; D33-T35 WeakPolarHBondContact OD1-CB 3.48Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.21Å; D33-T35 PolarHBondContact OD1-N 3.03Å; D33-T35 PolarHBondContact OD1-OG1 3.45Å; D33-T35 WeakPolarHBondContact OD2-CG2 3.4Å; D33-T35 PolarHBondContact OD2-OG1 2.66Å | ||
| 36 | M | 95.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 44% | 0.438 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 128.7 | -177.8 | -169.4 | 175.6 | -53 | 0 | 0 | 111 | P28 L38 | P28-M36 HydrophobicContact CB-CG 3.74Å; P28-M36 HydrophobicContact CB-SD 4.08Å; P28-M36 HydrophobicContact CG-CG 4.26Å; P28-M36 HydrophobicContact CG-SD 3.91Å; M36-L38 HydrophobicContact CG-CD2 4.11Å; M36-L38 HydrophobicContact SD-CD2 3.72Å |
| 37 | N | 97.6 | Very high | 97.3 | Very high | 42 Ų | 42 | 51.8 Ų | 51.8 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 95.6 | 172.6 | -173.5 | -9.1 | 0 | 0 | 0 | 110.2 | P28 T29 N31 M39 N40 | P28-N37 WeakPolarHBondContact CB-O 3.49Å; T29-N37 PolarHBondContact O-N 2.95Å; N31-N37 WeakPolarHBondContact OD1-CB 3.46Å; N37-M39 PolarHBondContact O-N 2.96Å; N37-M39 WeakPolarHBondContact OD1-CB 3.48Å; N37-M39 PolarHBondContact OD1-N 3.45Å; N37-N40 PolarHBondContact O-N 3.18Å; N37-N40 VanDerWaalsContact O-O 3.12Å |
| 38 | L | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -15 | 178 | -67.5 | -179.8 | 0 | 0 | 0 | 113.4 | L6 L9 A10 P28 M36 N40 W41 | L6-L38 HydrophobicContact CD2-CB 3.86Å; L6-L38 HydrophobicContact CD2-CD1 4.29Å; L9-L38 HydrophobicContact CB-CB 4.01Å; L9-L38 HydrophobicContact CB-CD1 4.36Å; L9-L38 HydrophobicContact CD1-CB 4.17Å; L9-L38 VanDerWaalsContact CD1-O 3.29Å; L9-L38 WeakPolarHBondContact CD1-O 3.48Å; A10-L38 HydrophobicContact CB-CD1 4.4Å; P28-L38 HydrophobicContact CB-CD2 4.07Å; P28-L38 HydrophobicContact CG-CD2 3.71Å; M36-L38 HydrophobicContact CG-CD2 4.11Å; M36-L38 HydrophobicContact SD-CD2 3.72Å; L38-N40 VanDerWaalsContact C-N 3.33Å; L38-W41 VanDerWaalsContact O-CD1 3.24Å; L38-W41 PolarHBondContact O-NE1 2.88Å |
| 39 | M | 98.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 15% | 0.148 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -4.4 | -177.3 | -53.9 | -60.8 | -75.7 | 0 | 0 | 113.3 | A5 L6 L9 N37 F64 K65 | A5-M39 HydrophobicContact CB-CE 4.17Å; A5-M39 HydrophobicContact CB-SD 4.28Å; L6-M39 HydrophobicContact CD2-CG 4.16Å; L6-M39 HydrophobicContact CD2-SD 3.79Å; L9-M39 HydrophobicContact CD1-SD 3.39Å; L9-M39 WeakPolarHBondContact CD1-SD 3.49Å; N37-M39 PolarHBondContact O-N 2.96Å; N37-M39 WeakPolarHBondContact OD1-CB 3.48Å; N37-M39 PolarHBondContact OD1-N 3.45Å; M39-F64 HydrophobicContact CE-CB 4.09Å; M39-F64 WeakPolarHBondContact O-CD2 3.48Å; M39-F64 PolarHBondContact O-N 2.93Å; M39-F64 HydrophobicContact SD-CB 4.4Å; M39-K65 WeakPolarHBondContact CE-O 3.35Å |
| 40 | N | 98.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 116.7 | -178.5 | 177 | 9.7 | 0 | 0 | 0 | 110.4 | T29 N37 L38 R61 L63 | T29-N40 WeakPolarHBondContact CB-O 3.48Å; T29-N40 WeakPolarHBondContact CG2-O 3.33Å; T29-N40 PolarHBondContact N-O 2.8Å; T29-N40 PolarHBondContact OG1-O 3.46Å; N37-N40 PolarHBondContact O-N 3.18Å; N37-N40 VanDerWaalsContact O-O 3.12Å; L38-N40 VanDerWaalsContact C-N 3.33Å; N40-R61 PolarHBondContact ND2-NH1 2.86Å; N40-R61 VanDerWaalsContact ND2-NH1 3.1Å; N40-R61 WeakPolarHBondContact OD1-CD 3.34Å; N40-R61 WeakPolarHBondContact OD1-CG 3.11Å; N40-L63 HydrophobicContact CB-CD2 4.35Å |
| 41 | W | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.1 | -175.8 | -66.2 | 44.9 | 0 | 0 | 0 | 111.6 | L9 E12 R13 A26 V27 P28 L38 R61 M62 F64 I109 | L9-W41 HydrophobicContact CD2-CZ2 4.33Å; E12-W41 HydrophobicContact CB-CH2 4.4Å; R13-W41 HydrophobicContact CB-CH2 3.75Å; R13-W41 HydrophobicContact CB-CZ2 4.16Å; R13-W41 HydrophobicContact CG-CH2 4.39Å; A26-W41 HydrophobicContact CB-CE3 3.96Å; A26-W41 HydrophobicContact CB-CZ3 4.09Å; V27-W41 CarbonylContact O-C 3.4Å; V27-W41 WeakPolarHBondContact O-CA 3.47Å; P28-W41 HydrophobicContact CB-CD2 4.47Å; P28-W41 HydrophobicContact CB-CG 4.46Å; P28-W41 HydrophobicContact CG-CD2 4Å; P28-W41 HydrophobicContact CG-CE3 4.43Å; P28-W41 HydrophobicContact CG-CG 4.48Å; P28-W41 HydrophobicContact CG-CH2 4.39Å; P28-W41 HydrophobicContact CG-CZ2 3.93Å; L38-W41 VanDerWaalsContact O-CD1 3.24Å; L38-W41 PolarHBondContact O-NE1 2.88Å; W41-R61 WeakPolarHBondContact O-CA 3.31Å; W41-M62 HydrophobicContact CB-CB 4.24Å; W41-M62 PolarHBondContact N-O 3.46Å; W41-M62 PolarHBondContact O-N 2.96Å; W41-F64 HydrophobicContact CB-CE2 4.45Å; W41-F64 AromaticContact CD1-CD2 3.9Å; W41-F64 AromaticContact CD1-CE2 3.36Å; W41-F64 HydrophobicContact CD2-CE2 4.38Å; W41-F64 AromaticContact CG-CE2 3.86Å; W41-F64 HydrophobicContact CG-CE2 3.86Å; W41-F64 AromaticContact NE1-CE2 3.6Å; W41-I109 HydrophobicContact CD2-CD1 4.19Å; W41-I109 HydrophobicContact CE3-CD1 4.01Å; W41-I109 HydrophobicContact CH2-CD1 3.5Å; W41-I109 VanDerWaalsContact CH2-CD1 3.5Å; W41-I109 HydrophobicContact CZ2-CD1 3.71Å; W41-I109 HydrophobicContact CZ3-CD1 3.67Å |
| 42 | E | 98.8 | Very high | 97.5 | Very high | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.5 | 165.7 | -74.4 | 173.6 | -177.7 | 0 | 0 | 108.6 | V27 T29 | V27-E42 PolarHBondContact N-O 3.44Å; V27-E42 PolarHBondContact O-N 2.85Å; T29-E42 HydrophobicContact CG2-CG 3.74Å |
| 43 | C | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 158.2 | 180 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | V25 K59 L60 L113 | V25-C43 CarbonylContact O-C 3.34Å; V25-C43 WeakPolarHBondContact O-CA 3.46Å; V25-C43 WeakPolarHBondContact O-CB 3.48Å; C43-K59 CarbonylContact O-C 3.57Å; C43-K59 WeakPolarHBondContact O-CA 3.4Å; C43-L60 HydrophobicContact CB-CD2 4.02Å; C43-L60 HydrophobicContact CB-CG 4.05Å; C43-L60 PolarHBondContact N-O 2.91Å; C43-L60 PolarHBondContact O-N 2.93Å; C43-L113 HydrophobicContact CB-CD1 4.43Å; C43-L113 HydrophobicContact CB-CD2 3.95Å |
| 44 | A | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F24 V25 L57 F58 K59 | F24-A44 WeakPolarHBondContact CA-O 3.43Å; V25-A44 HydrophobicContact CB-CB 3.93Å; V25-A44 HydrophobicContact CG2-CB 4.22Å; V25-A44 PolarHBondContact N-O 3.27Å; V25-A44 PolarHBondContact O-N 3.39Å; A44-L57 HydrophobicContact CB-CD1 3.74Å; A44-L57 HydrophobicContact CB-CD2 4.43Å; A44-L57 HydrophobicContact CB-CG 3.94Å; A44-F58 VanDerWaalsContact CA-O 3.31Å; A44-F58 WeakPolarHBondContact CA-O 3.46Å; A44-K59 HydrophobicContact CB-CG 4.33Å |
| 45 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.8 | -179.3 | -63.8 | 172.8 | 0 | 0 | 0 | 108.1 | F24 F58 L60 L113 I116 Q117 L120 | F24-I45 HydrophobicContact CD1-CB 4.47Å; F24-I45 HydrophobicContact CD1-CG1 4.09Å; F24-I45 HydrophobicContact CD1-CG2 4.45Å; F24-I45 HydrophobicContact CE1-CB 4.22Å; F24-I45 HydrophobicContact CE1-CG1 3.96Å; F24-I45 HydrophobicContact CE1-CG2 3.77Å; F24-I45 HydrophobicContact CZ-CG2 4.18Å; I45-F58 PolarHBondContact N-O 3.22Å; I45-F58 WeakPolarHBondContact O-CD2 3.48Å; I45-F58 PolarHBondContact O-N 3.39Å; I45-L60 HydrophobicContact CD1-CD2 3.56Å; I45-L60 HydrophobicContact CG1-CD2 3.71Å; I45-L113 HydrophobicContact CD1-CB 4.49Å; I45-L113 HydrophobicContact CD1-CD2 3.88Å; I45-L113 HydrophobicContact CG1-CB 4.48Å; I45-L113 HydrophobicContact CG1-CD2 3.99Å; I45-I116 HydrophobicContact CD1-CB 3.61Å; I45-I116 HydrophobicContact CD1-CD1 4.37Å; I45-I116 HydrophobicContact CD1-CG2 3.39Å; I45-Q117 HydrophobicContact CG2-CB 3.67Å; I45-Q117 HydrophobicContact CG2-CG 3.92Å; I45-L120 HydrophobicContact CG2-CD1 4.47Å |
| 46 | P | 98.7 | Very high | 98.2 | Very high | 24 Ų | 24 | 42 Ų | 42 | 16% | 0.156 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 147.7 | 173 | 31.3 | -33.8 | 0 | 0 | 0 | 110.1 | F24 K48 G56 L57 Q117 | F24-P46 HydrophobicContact CD2-CG 3.72Å; F24-P46 HydrophobicContact CE2-CG 3.78Å; F24-P46 HydrophobicContact CG-CG 4.36Å; F24-P46 HydrophobicContact CZ-CG 4.44Å; P46-K48 PolarHBondContact O-N 3.14Å; P46-G56 WeakPolarHBondContact CA-O 3.34Å; P46-L57 HydrophobicContact CB-CD1 4.35Å; P46-Q117 PolarHBondContact O-NE2 2.91Å |
| 47 | G | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 136.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W53 G56 | G47-W53 WeakPolarHBondContact CA-O 3.13Å; G47-G56 PolarHBondContact N-O 3.04Å |
| 48 | K | 98.3 | Very high | 98.5 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 137.8 | -179.8 | -173.1 | 174.5 | 179.1 | 179.7 | 0 | 110.3 | P46 T51 Q117 E118 | P46-K48 PolarHBondContact O-N 3.14Å; K48-T51 HydrophobicContact CB-CG2 3.79Å; K48-T51 HydrophobicContact CD-CG2 4.3Å; K48-T51 HydrophobicContact CG-CG2 4.06Å; K48-T51 WeakPolarHBondContact O-CB 3.49Å; K48-T51 WeakPolarHBondContact O-CG2 3.34Å; K48-T51 PolarHBondContact O-N 3.37Å; K48-T51 PolarHBondContact O-OG1 2.83Å; K48-Q117 HydrophobicContact CB-CG 4.21Å; K48-E118 IonicContact NZ-OE1 3.81Å; K48-E118 PolarHBondContact NZ-OE1 3.5Å; K48-E118 IonicContact NZ-OE2 2.81Å; K48-E118 PolarHBondContact NZ-OE2 2.96Å |
| 49 | K | 97.5 | Very high | 98.5 | Very high | 182 Ų | 182 | 43.8 Ų | 43.8 | 79% | 0.791 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 140.8 | 177.1 | -172 | 178.9 | -179.6 | -179.4 | 0 | 110.8 | T51 E54 | K49-T51 VanDerWaalsContact C-N 3.27Å; K49-E54 WeakPolarHBondContact CA-OE2 3.38Å |
| 50 | G | 97.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 74% | 0.742 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 4.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E54 | G50-E54 PolarHBondContact N-OE2 3.23Š|
| 51 | T | 98.5 | Very high | 98.5 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -111.7 | 161 | -178.2 | 78 | 0 | 0 | 0 | 0 | 111.3 | K48 K49 W53 E54 N121 | K48-T51 HydrophobicContact CB-CG2 3.79Å; K48-T51 HydrophobicContact CD-CG2 4.3Å; K48-T51 HydrophobicContact CG-CG2 4.06Å; K48-T51 WeakPolarHBondContact O-CB 3.49Å; K48-T51 WeakPolarHBondContact O-CG2 3.34Å; K48-T51 PolarHBondContact O-N 3.37Å; K48-T51 PolarHBondContact O-OG1 2.83Å; K49-T51 VanDerWaalsContact C-N 3.27Å; T51-W53 PolarHBondContact O-N 2.95Å; T51-W53 WeakPolarHBondContact OG1-CB 3.49Å; T51-W53 PolarHBondContact OG1-N 3.44Å; T51-E54 VanDerWaalsContact O-CB 3.31Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 3.32Å; T51-N121 HydrophobicContact CG2-CB 4.28Å; T51-N121 WeakPolarHBondContact CG2-OD1 3.4Å |
| 52 | P | 98.5 | Very high | 98.5 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.1 | 172 | -27.1 | 36.6 | 0 | 0 | 0 | 114.7 | E145 V148 R149 | P52-E145 HydrophobicContact CG-CB 4.47Å; P52-E145 HydrophobicContact CG-CG 3.92Å; P52-V148 HydrophobicContact CB-CB 4.13Å; P52-V148 HydrophobicContact CB-CG1 3.66Å; P52-R149 HydrophobicContact CB-CG 3.96Å |
| 53 | W | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -16.1 | 179.3 | -58.5 | 91.8 | 0 | 0 | 0 | 113.6 | G47 T51 G56 F58 L81 H83 L120 V148 Q151 A152 | G47-W53 WeakPolarHBondContact CA-O 3.13Å; T51-W53 PolarHBondContact O-N 2.95Å; T51-W53 WeakPolarHBondContact OG1-CB 3.49Å; T51-W53 PolarHBondContact OG1-N 3.44Å; W53-G56 PolarHBondContact O-N 3.5Å; W53-F58 HydrophobicContact CB-CE2 4.22Å; W53-F58 HydrophobicContact CB-CZ 4.44Å; W53-F58 HydrophobicContact CE3-CE1 4.08Å; W53-F58 AromaticContact CE3-CE2 3.77Å; W53-F58 HydrophobicContact CE3-CE2 3.77Å; W53-F58 AromaticContact CE3-CZ 3.54Å; W53-F58 HydrophobicContact CE3-CZ 3.54Å; W53-F58 HydrophobicContact CZ3-CE1 4.33Å; W53-F58 HydrophobicContact CZ3-CZ 4.23Å; W53-L81 HydrophobicContact CZ3-CD1 4.25Å; W53-H83 HydrophobicContact CH2-CB 4.38Å; W53-H83 AromaticContact CH2-CD2 3.9Å; W53-H83 AromaticContact CZ2-CD2 3.65Å; W53-L120 HydrophobicContact CD2-CB 4.02Å; W53-L120 VanDerWaalsContact CE2-O 3.31Å; W53-L120 HydrophobicContact CE3-CB 4.47Å; W53-L120 HydrophobicContact CE3-CD1 4.27Å; W53-L120 HydrophobicContact CE3-CD2 4.27Å; W53-L120 HydrophobicContact CG-CB 4.3Å; W53-L120 HydrophobicContact CH2-CD2 3.91Å; W53-L120 HydrophobicContact CZ2-CB 4.33Å; W53-L120 HydrophobicContact CZ2-CD2 4.23Å; W53-L120 HydrophobicContact CZ3-CD2 3.91Å; W53-L120 PolarHBondContact NE1-O 3.11Å; W53-V148 HydrophobicContact CD2-CG1 3.41Å; W53-V148 VanDerWaalsContact CD2-CG1 3.41Å; W53-V148 HydrophobicContact CE3-CG1 3.91Å; W53-V148 HydrophobicContact CG-CG1 3.81Å; W53-V148 HydrophobicContact CH2-CG1 4.12Å; W53-V148 HydrophobicContact CH2-CG2 4.17Å; W53-V148 HydrophobicContact CZ2-CB 4.37Å; W53-V148 HydrophobicContact CZ2-CG1 3.64Å; W53-V148 HydrophobicContact CZ2-CG2 3.71Å; W53-V148 HydrophobicContact CZ3-CG1 4.25Å; W53-Q151 VanDerWaalsContact CH2-NE2 3.34Å; W53-A152 WeakPolarHBondContact O-CB 3.42Å |
| 54 | E | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 42.6 Ų | 42.6 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 138.6 | -175.9 | -176.4 | 174.7 | 162.1 | 0 | 0 | 112 | K49 G50 T51 G56 | K49-E54 WeakPolarHBondContact CA-OE2 3.38Å; G50-E54 PolarHBondContact N-OE2 3.23Å; T51-E54 VanDerWaalsContact O-CB 3.31Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 3.32Å; E54-G56 VanDerWaalsContact C-N 3.27Å; E54-G56 PolarHBondContact O-N 3.42Å |
| 55 | G | 97.9 | Very high | 98.5 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -12.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S156 P157 | G55-S156 WeakPolarHBondContact O-CA 3.32Å; G55-S156 WeakPolarHBondContact O-CB 3.3Å; G55-S156 PolarHBondContact O-OG 2.86Å; G55-P157 WeakPolarHBondContact O-CD 3.4Å |
| 56 | G | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -84.2 | 150.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P46 G47 W53 E54 A152 | P46-G56 WeakPolarHBondContact CA-O 3.34Å; G47-G56 PolarHBondContact N-O 3.04Å; W53-G56 PolarHBondContact O-N 3.5Å; E54-G56 VanDerWaalsContact C-N 3.27Å; E54-G56 PolarHBondContact O-N 3.42Å; G56-A152 WeakPolarHBondContact CA-O 3.14Å | ||
| 57 | L | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 105.3 | 172.3 | -175.8 | 65.1 | 0 | 0 | 0 | 109.8 | A44 P46 Y155 P157 | A44-L57 HydrophobicContact CB-CD1 3.74Å; A44-L57 HydrophobicContact CB-CD2 4.43Å; A44-L57 HydrophobicContact CB-CG 3.94Å; P46-L57 HydrophobicContact CB-CD1 4.35Å; L57-Y155 PolarHBondContact N-O 3.04Å; L57-P157 HydrophobicContact CB-CG 4.38Å; L57-P157 HydrophobicContact CD2-CB 4.36Å |
| 58 | F | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.4 | -168.6 | -49.6 | -72.7 | 0 | 0 | 0 | 111.2 | A44 I45 W53 F77 L81 L120 Q151 A152 Y155 | A44-F58 VanDerWaalsContact CA-O 3.31Å; A44-F58 WeakPolarHBondContact CA-O 3.46Å; I45-F58 PolarHBondContact N-O 3.22Å; I45-F58 WeakPolarHBondContact O-CD2 3.48Å; I45-F58 PolarHBondContact O-N 3.39Å; W53-F58 HydrophobicContact CB-CE2 4.22Å; W53-F58 HydrophobicContact CB-CZ 4.44Å; W53-F58 HydrophobicContact CE3-CE1 4.08Å; W53-F58 AromaticContact CE3-CE2 3.77Å; W53-F58 HydrophobicContact CE3-CE2 3.77Å; W53-F58 AromaticContact CE3-CZ 3.54Å; W53-F58 HydrophobicContact CE3-CZ 3.54Å; W53-F58 HydrophobicContact CZ3-CE1 4.33Å; W53-F58 HydrophobicContact CZ3-CZ 4.23Å; F58-F77 HydrophobicContact CB-CD1 4.24Å; F58-F77 HydrophobicContact CB-CE1 3.86Å; F58-L81 HydrophobicContact CB-CD1 4.01Å; F58-L81 HydrophobicContact CD1-CD1 3.94Å; F58-L81 HydrophobicContact CD1-CD2 3.86Å; F58-L81 HydrophobicContact CG-CD1 4Å; F58-L120 HydrophobicContact CD2-CD1 4Å; F58-L120 HydrophobicContact CE2-CD1 4.38Å; F58-Q151 HydrophobicContact CE1-CG 4.43Å; F58-A152 HydrophobicContact CZ-CB 4.35Å; F58-Y155 HydrophobicContact CD1-CD2 4.01Å; F58-Y155 HydrophobicContact CD1-CG 4.33Å; F58-Y155 AromaticContact CE1-CD2 3.97Å; F58-Y155 HydrophobicContact CE1-CD2 3.97Å; F58-Y155 HydrophobicContact CE1-CG 4.43Å |
| 59 | K | 98.8 | Very high | 98.3 | Very high | 143 Ų | 143 | 52.4 Ų | 52.4 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.5 | -179.9 | -65.3 | -178.2 | -178.9 | -179.6 | 0 | 111.3 | C43 A44 F77 E78 | C43-K59 CarbonylContact O-C 3.57Å; C43-K59 WeakPolarHBondContact O-CA 3.4Å; A44-K59 HydrophobicContact CB-CG 4.33Å; K59-F77 WeakPolarHBondContact O-CD1 3.28Å; K59-E78 PolarHBondContact O-N 2.9Å |
| 60 | L | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.3 | 171.7 | 69.9 | 145.9 | 0 | 0 | 0 | 111.5 | C43 I45 C75 K76 F77 L113 I116 | C43-L60 HydrophobicContact CB-CD2 4.02Å; C43-L60 HydrophobicContact CB-CG 4.05Å; C43-L60 PolarHBondContact N-O 2.91Å; C43-L60 PolarHBondContact O-N 2.93Å; I45-L60 HydrophobicContact CD1-CD2 3.56Å; I45-L60 HydrophobicContact CG1-CD2 3.71Å; L60-C75 HydrophobicContact CD1-CB 3.74Å; L60-K76 CarbonylContact C-O 3.52Å; L60-K76 WeakPolarHBondContact CA-O 3.3Å; L60-K76 VanDerWaalsContact CB-O 3.28Å; L60-K76 WeakPolarHBondContact CB-O 3.43Å; L60-F77 HydrophobicContact CB-CD1 3.87Å; L60-F77 HydrophobicContact CB-CE1 4.29Å; L60-F77 HydrophobicContact CB-CG 4.36Å; L60-F77 HydrophobicContact CD2-CE1 4.2Å; L60-L113 HydrophobicContact CD1-CD2 4.4Å; L60-L113 HydrophobicContact CD2-CD2 4.24Å; L60-I116 HydrophobicContact CD1-CD1 3.95Å |
| 61 | R | 98.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 25% | 0.245 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.3 | 169.1 | -165 | 176.3 | -63 | -109.9 | -19.1 | 109.9 | N40 W41 L63 C75 K76 E78 | N40-R61 PolarHBondContact ND2-NH1 2.86Å; N40-R61 VanDerWaalsContact ND2-NH1 3.1Å; N40-R61 WeakPolarHBondContact OD1-CD 3.34Å; N40-R61 WeakPolarHBondContact OD1-CG 3.11Å; W41-R61 WeakPolarHBondContact O-CA 3.31Å; R61-L63 HydrophobicContact CG-CD2 3.83Å; R61-L63 HydrophobicContact CG-CG 4.08Å; R61-C75 CarbonylContact O-C 3.46Å; R61-C75 WeakPolarHBondContact O-CA 3.34Å; R61-K76 PolarHBondContact N-O 3.4Å; R61-K76 PolarHBondContact O-N 2.91Å; R61-E78 HydrophobicContact CB-CG 4.42Å; R61-E78 IonicContact CZ-OE1 2.89Å; R61-E78 IonicContact CZ-OE2 3.88Å; R61-E78 VanDerWaalsContact NE-CD 3.32Å; R61-E78 IonicContact NE-OE1 3.25Å; R61-E78 PolarHBondContact NE-OE1 3.48Å; R61-E78 IonicContact NE-OE2 3.76Å; R61-E78 PolarHBondContact NE-OE2 3.05Å; R61-E78 IonicContact NH2-OE1 2.7Å; R61-E78 IonicContact NH2-OE2 3.03Å; R61-E78 PolarHBondContact NH2-OE2 2.87Å |
| 62 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 116.1 | 172.3 | -172.9 | 179.6 | -69.9 | 0 | 0 | 109 | W41 F64 P73 K74 I109 I112 L113 | W41-M62 HydrophobicContact CB-CB 4.24Å; W41-M62 PolarHBondContact N-O 3.46Å; W41-M62 PolarHBondContact O-N 2.96Å; M62-F64 HydrophobicContact CB-CE2 4.29Å; M62-F64 HydrophobicContact CG-CE1 4.4Å; M62-F64 HydrophobicContact CG-CE2 3.71Å; M62-F64 HydrophobicContact CG-CZ 3.64Å; M62-F64 HydrophobicContact SD-CE1 4.18Å; M62-F64 HydrophobicContact SD-CE2 3.97Å; M62-F64 HydrophobicContact SD-CZ 3.38Å; M62-F64 WeakPolarHBondContact SD-CZ 3.35Å; M62-P73 HydrophobicContact CG-CB 3.68Å; M62-P73 HydrophobicContact CG-CG 4.08Å; M62-P73 HydrophobicContact SD-CB 4.34Å; M62-P73 HydrophobicContact SD-CG 4.17Å; M62-K74 WeakPolarHBondContact CA-O 3.44Å; M62-I109 HydrophobicContact CE-CG2 4.15Å; M62-I109 HydrophobicContact SD-CD1 4.31Å; M62-I109 HydrophobicContact SD-CG1 4.06Å; M62-I109 HydrophobicContact SD-CG2 4.12Å; M62-I112 HydrophobicContact CE-CB 4.31Å; M62-I112 HydrophobicContact CE-CG2 3.73Å; M62-L113 HydrophobicContact CE-CD2 3.85Å; M62-L113 HydrophobicContact CE-CG 4.15Å |
| 63 | L | 98.7 | Very high | 98.3 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122 | -171.6 | -63.1 | 169.6 | 0 | 0 | 0 | 109.8 | N40 R61 P73 K74 | N40-L63 HydrophobicContact CB-CD2 4.35Å; R61-L63 HydrophobicContact CG-CD2 3.83Å; R61-L63 HydrophobicContact CG-CG 4.08Å; L63-P73 CarbonylContact O-C 3.48Å; L63-P73 VanDerWaalsContact O-CA 3.22Å; L63-P73 WeakPolarHBondContact O-CA 2.72Å; L63-P73 WeakPolarHBondContact O-CB 3.27Å; L63-K74 HydrophobicContact CB-CB 4.31Å; L63-K74 PolarHBondContact N-O 3.37Å; L63-K74 PolarHBondContact O-N 3.22Å |
| 64 | F | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 8% | 0.075 | 25% | 0.25 | C | S | . | . | trans | -103.6 | 145.2 | 179.8 | -58.6 | -92.5 | 0 | 0 | 0 | 110.3 | L9 M39 W41 M62 Y68 P73 I109 | L9-F64 HydrophobicContact CD1-CB 4.36Å; L9-F64 HydrophobicContact CD1-CG 4.33Å; L9-F64 HydrophobicContact CD2-CD1 3.61Å; L9-F64 HydrophobicContact CD2-CD2 3.86Å; L9-F64 HydrophobicContact CD2-CE1 3.51Å; L9-F64 HydrophobicContact CD2-CE2 3.8Å; L9-F64 HydrophobicContact CD2-CG 3.77Å; L9-F64 HydrophobicContact CD2-CZ 3.6Å; M39-F64 HydrophobicContact CE-CB 4.09Å; M39-F64 WeakPolarHBondContact O-CD2 3.48Å; M39-F64 PolarHBondContact O-N 2.93Å; M39-F64 HydrophobicContact SD-CB 4.4Å; W41-F64 HydrophobicContact CB-CE2 4.45Å; W41-F64 AromaticContact CD1-CD2 3.9Å; W41-F64 AromaticContact CD1-CE2 3.36Å; W41-F64 HydrophobicContact CD2-CE2 4.38Å; W41-F64 AromaticContact CG-CE2 3.86Å; W41-F64 HydrophobicContact CG-CE2 3.86Å; W41-F64 AromaticContact NE1-CE2 3.6Å; M62-F64 HydrophobicContact CB-CE2 4.29Å; M62-F64 HydrophobicContact CG-CE1 4.4Å; M62-F64 HydrophobicContact CG-CE2 3.71Å; M62-F64 HydrophobicContact CG-CZ 3.64Å; M62-F64 HydrophobicContact SD-CE1 4.18Å; M62-F64 HydrophobicContact SD-CE2 3.97Å; M62-F64 HydrophobicContact SD-CZ 3.38Å; M62-F64 WeakPolarHBondContact SD-CZ 3.35Å; F64-Y68 HydrophobicContact CD1-CD1 4.05Å; F64-Y68 AromaticContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CE1 4.18Å; F64-Y68 AromaticContact CD1-CE2 3.8Å; F64-Y68 HydrophobicContact CD1-CE2 3.8Å; F64-Y68 AromaticContact CD1-CG 3.78Å; F64-Y68 HydrophobicContact CD1-CG 3.78Å; F64-Y68 HydrophobicContact CE1-CD2 4.11Å; F64-Y68 HydrophobicContact CE1-CE1 4.3Å; F64-Y68 AromaticContact CE1-CE2 3.79Å; F64-Y68 HydrophobicContact CE1-CE2 3.79Å; F64-Y68 AromaticContact CE1-CZ 3.91Å; F64-P73 HydrophobicContact CD1-CB 3.66Å; F64-P73 HydrophobicContact CD1-CG 4.35Å; F64-P73 HydrophobicContact CE1-CB 3.6Å; F64-P73 HydrophobicContact CE1-CG 3.93Å; F64-P73 HydrophobicContact CG-CB 4.24Å; F64-P73 HydrophobicContact CZ-CB 4.14Å; F64-I109 HydrophobicContact CE1-CD1 4.42Å; F64-I109 HydrophobicContact CZ-CD1 3.72Å; F64-I109 HydrophobicContact CZ-CG1 4.17Å | ||
| 65 | K | 97.9 | Very high | 98.3 | Very high | 121 Ų | 121 | 43.6 Ų | 43.6 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | trans | -97.7 | 163.7 | 171.6 | -63.1 | 178.8 | -174.8 | 172.6 | 0 | 110.6 | M39 D67 Y68 | M39-K65 WeakPolarHBondContact CE-O 3.35Å; K65-D67 WeakPolarHBondContact CB-OD1 3.41Å; K65-D67 PolarHBondContact O-N 2.95Å; K65-Y68 VanDerWaalsContact O-CB 3.24Å; K65-Y68 WeakPolarHBondContact O-CB 3.34Å; K65-Y68 PolarHBondContact O-N 2.76Å | ||
| 66 | D | 97.6 | Very high | 98.3 | Very high | 105 Ų | 105 | 45 Ų | 45 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.5 | -178.2 | -75.4 | -21.4 | 0 | 0 | 0 | 114.6 | ||
| 67 | D | 97.1 | Very high | 98.4 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.3 | 176.5 | 61.5 | -28.2 | 0 | 0 | 0 | 113.5 | K65 S70 S71 | K65-D67 WeakPolarHBondContact CB-OD1 3.41Å; K65-D67 PolarHBondContact O-N 2.95Å; D67-S70 WeakPolarHBondContact O-CA 3.41Å; D67-S70 WeakPolarHBondContact O-CB 3.28Å; D67-S70 PolarHBondContact O-N 3.4Å; D67-S70 PolarHBondContact O-OG 2.97Å; D67-S71 PolarHBondContact O-N 3.34Å; D67-S71 PolarHBondContact OD1-OG 3.03Å; D67-S71 VanDerWaalsContact OD1-OG 3.04Å; D67-S71 WeakPolarHBondContact OD2-CB 3.49Å |
| 68 | Y | 98.1 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 137.7 | 167.8 | 176.8 | -98.4 | 0 | 0 | 0 | 110.7 | A5 R8 L9 F64 K65 S71 W103 | A5-Y68 WeakPolarHBondContact CA-O 3.47Å; A5-Y68 HydrophobicContact CB-CD1 4.34Å; A5-Y68 WeakPolarHBondContact CB-O 3.47Å; A5-Y68 PolarHBondContact N-O 3.04Å; R8-Y68 HydrophobicContact CB-CD1 4.46Å; R8-Y68 HydrophobicContact CB-CE1 3.93Å; R8-Y68 HydrophobicContact CG-CD1 4.32Å; R8-Y68 HydrophobicContact CG-CE1 3.42Å; R8-Y68 VanDerWaalsContact CG-CE1 3.42Å; L9-Y68 HydrophobicContact CD1-CD1 4.23Å; L9-Y68 HydrophobicContact CD2-CD1 4.13Å; L9-Y68 HydrophobicContact CD2-CE1 3.73Å; L9-Y68 HydrophobicContact CG-CD1 3.88Å; L9-Y68 HydrophobicContact CG-CE1 3.72Å; F64-Y68 HydrophobicContact CD1-CD1 4.05Å; F64-Y68 AromaticContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CE1 4.18Å; F64-Y68 AromaticContact CD1-CE2 3.8Å; F64-Y68 HydrophobicContact CD1-CE2 3.8Å; F64-Y68 AromaticContact CD1-CG 3.78Å; F64-Y68 HydrophobicContact CD1-CG 3.78Å; F64-Y68 HydrophobicContact CE1-CD2 4.11Å; F64-Y68 HydrophobicContact CE1-CE1 4.3Å; F64-Y68 AromaticContact CE1-CE2 3.79Å; F64-Y68 HydrophobicContact CE1-CE2 3.79Å; F64-Y68 AromaticContact CE1-CZ 3.91Å; K65-Y68 VanDerWaalsContact O-CB 3.24Å; K65-Y68 WeakPolarHBondContact O-CB 3.34Å; K65-Y68 PolarHBondContact O-N 2.76Å; Y68-S71 WeakPolarHBondContact CD2-O 3.32Å; Y68-W103 HydrophobicContact CD2-CZ2 4.38Å; Y68-W103 HydrophobicContact CE2-CH2 4.02Å; Y68-W103 HydrophobicContact CE2-CZ2 4.12Å |
| 69 | P | 97.7 | Very high | 98.3 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | 12.7 | 7.6 | 38.3 | -37.1 | 0 | 0 | 0 | 115.7 | R8 W103 P105 | R8-P69 HydrophobicContact CG-CB 4.27Å; R8-P69 HydrophobicContact CG-CG 4.23Å; P69-W103 VanDerWaalsContact O-CZ2 3.32Å; P69-W103 WeakPolarHBondContact O-CZ2 3.28Å; P69-W103 PolarHBondContact O-NE1 2.67Å; P69-P105 HydrophobicContact CB-CB 4.12Å; P69-P105 HydrophobicContact CG-CB 4.22Å; P69-P105 VanDerWaalsContact O-CA 3.32Å; P69-P105 WeakPolarHBondContact O-CA 3.43Å; P69-P105 VanDerWaalsContact O-CB 3.31Å; P69-P105 WeakPolarHBondContact O-CB 3.2Å; P69-P105 WeakPolarHBondContact O-CG 3.26Å |
| 70 | S | 97.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -46.1 | 173.5 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | D67 W103 | D67-S70 WeakPolarHBondContact O-CA 3.41Å; D67-S70 WeakPolarHBondContact O-CB 3.28Å; D67-S70 PolarHBondContact O-N 3.4Å; D67-S70 PolarHBondContact O-OG 2.97Å; S70-W103 VanDerWaalsContact O-CD1 3.23Å; S70-W103 PolarHBondContact O-NE1 2.89Å |
| 71 | S | 97.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -87.7 | 147.6 | 171.4 | 72.5 | 0 | 0 | 0 | 0 | 112.7 | D67 Y68 W103 | D67-S71 PolarHBondContact O-N 3.34Å; D67-S71 PolarHBondContact OD1-OG 3.03Å; D67-S71 VanDerWaalsContact OD1-OG 3.04Å; D67-S71 WeakPolarHBondContact OD2-CB 3.49Å; Y68-S71 WeakPolarHBondContact CD2-O 3.32Å; S71-W103 WeakPolarHBondContact O-CZ2 3.49Å |
| 72 | P | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -69.3 | 153 | 169.1 | 27.9 | -32.6 | 0 | 0 | 0 | 112.1 | L97 E99 W103 | P72-L97 VanDerWaalsContact CG-O 3.25Å; P72-L97 WeakPolarHBondContact CG-O 3.5Å; P72-E99 HydrophobicContact CG-CB 4.34Å; P72-W103 VanDerWaalsContact CA-CE2 3.47Å; P72-W103 HydrophobicContact CB-CB 4.32Å; P72-W103 HydrophobicContact CB-CD2 3.55Å; P72-W103 HydrophobicContact CB-CE3 3.75Å; P72-W103 HydrophobicContact CB-CG 3.81Å; P72-W103 HydrophobicContact CB-CZ2 4.41Å; P72-W103 HydrophobicContact CB-CZ3 4.23Å; P72-W103 HydrophobicContact CG-CB 4.4Å; P72-W103 HydrophobicContact CG-CD2 4.34Å; P72-W103 HydrophobicContact CG-CG 4.11Å |
| 73 | P | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 147.8 | 167.2 | 30.9 | -33.1 | 0 | 0 | 0 | 111.3 | M62 L63 F64 L97 I112 | M62-P73 HydrophobicContact CG-CB 3.68Å; M62-P73 HydrophobicContact CG-CG 4.08Å; M62-P73 HydrophobicContact SD-CB 4.34Å; M62-P73 HydrophobicContact SD-CG 4.17Å; L63-P73 CarbonylContact O-C 3.48Å; L63-P73 VanDerWaalsContact O-CA 3.22Å; L63-P73 WeakPolarHBondContact O-CA 2.72Å; L63-P73 WeakPolarHBondContact O-CB 3.27Å; F64-P73 HydrophobicContact CD1-CB 3.66Å; F64-P73 HydrophobicContact CD1-CG 4.35Å; F64-P73 HydrophobicContact CE1-CB 3.6Å; F64-P73 HydrophobicContact CE1-CG 3.93Å; F64-P73 HydrophobicContact CG-CB 4.24Å; F64-P73 HydrophobicContact CZ-CB 4.14Å; P73-L97 HydrophobicContact CG-CD2 4.5Å; P73-I112 HydrophobicContact CG-CD1 3.58Å |
| 74 | K | 98.7 | Very high | 98.3 | Very high | 112 Ų | 112 | 39.6 Ų | 39.6 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.8 | 169.1 | -176.4 | 174.1 | -176.2 | 171.6 | 0 | 110 | M62 L63 T91 | M62-K74 WeakPolarHBondContact CA-O 3.44Å; L63-K74 HydrophobicContact CB-CB 4.31Å; L63-K74 PolarHBondContact N-O 3.37Å; L63-K74 PolarHBondContact O-N 3.22Å; K74-T91 VanDerWaalsContact CE-OG1 3.22Å; K74-T91 WeakPolarHBondContact CE-OG1 3.47Å; K74-T91 HydrophobicContact CG-CG2 4.36Å |
| 75 | C | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.3 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 111 | L60 R61 V92 L97 I116 | L60-C75 HydrophobicContact CD1-CB 3.74Å; R61-C75 CarbonylContact O-C 3.46Å; R61-C75 WeakPolarHBondContact O-CA 3.34Å; C75-V92 HydrophobicContact CB-CB 4.36Å; C75-V92 HydrophobicContact CB-CG2 4.23Å; C75-V92 PolarHBondContact O-N 3.03Å; C75-L97 HydrophobicContact CB-CD1 3.87Å; C75-I116 HydrophobicContact CB-CD1 3.89Å |
| 76 | K | 98.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 117.7 | -176.1 | -173 | -165.5 | -178.9 | -165.6 | 0 | 111.4 | L60 R61 S89 G90 | L60-K76 CarbonylContact C-O 3.52Å; L60-K76 WeakPolarHBondContact CA-O 3.3Å; L60-K76 VanDerWaalsContact CB-O 3.28Å; L60-K76 WeakPolarHBondContact CB-O 3.43Å; R61-K76 PolarHBondContact N-O 3.4Å; R61-K76 PolarHBondContact O-N 2.91Å; K76-S89 WeakPolarHBondContact CE-O 3.42Å; K76-G90 CarbonylContact C-O 3.59Å; K76-G90 VanDerWaalsContact CA-O 3.26Å; K76-G90 WeakPolarHBondContact CA-O 3.35Å |
| 77 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 136.5 | 172.8 | -73.9 | -71 | 0 | 0 | 0 | 111.6 | F58 K59 L60 P79 L81 V86 G90 V92 I116 L120 | F58-F77 HydrophobicContact CB-CD1 4.24Å; F58-F77 HydrophobicContact CB-CE1 3.86Å; K59-F77 WeakPolarHBondContact O-CD1 3.28Å; L60-F77 HydrophobicContact CB-CD1 3.87Å; L60-F77 HydrophobicContact CB-CE1 4.29Å; L60-F77 HydrophobicContact CB-CG 4.36Å; L60-F77 HydrophobicContact CD2-CE1 4.2Å; F77-P79 CarbonylContact C-O 3.13Å; F77-P79 WeakPolarHBondContact CB-O 3.46Å; F77-P79 CarbonylContact O-C 3.47Å; F77-L81 HydrophobicContact CB-CG 4.08Å; F77-L81 HydrophobicContact CD1-CD1 3.6Å; F77-L81 HydrophobicContact CD1-CG 3.94Å; F77-L81 HydrophobicContact CD2-CD1 3.96Å; F77-L81 HydrophobicContact CD2-CG 4.12Å; F77-L81 HydrophobicContact CE1-CD1 3.57Å; F77-L81 HydrophobicContact CE1-CG 4.41Å; F77-L81 HydrophobicContact CE2-CD1 3.9Å; F77-L81 HydrophobicContact CG-CD1 3.81Å; F77-L81 HydrophobicContact CG-CG 3.79Å; F77-L81 HydrophobicContact CZ-CD1 3.72Å; F77-V86 HydrophobicContact CD2-CB 4.49Å; F77-V86 HydrophobicContact CD2-CG1 3.89Å; F77-V86 HydrophobicContact CD2-CG2 3.69Å; F77-V86 HydrophobicContact CE2-CG2 3.64Å; F77-G90 PolarHBondContact N-O 3.32Å; F77-V92 HydrophobicContact CD2-CG2 3.64Å; F77-V92 HydrophobicContact CE2-CG2 3.5Å; F77-V92 VanDerWaalsContact CE2-CG2 3.5Å; F77-V92 HydrophobicContact CZ-CG2 4.41Å; F77-I116 HydrophobicContact CE2-CG2 4.23Å; F77-I116 HydrophobicContact CZ-CG2 3.68Å; F77-L120 HydrophobicContact CE2-CD2 4.5Å; F77-L120 HydrophobicContact CZ-CD2 4.18Å |
| 78 | E | 97.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 34 Ų | 34 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -131.9 | 98 | -179.9 | -67.9 | -172.3 | 169.7 | 0 | 0 | 109.2 | K59 R61 | K59-E78 PolarHBondContact O-N 2.9Å; R61-E78 HydrophobicContact CB-CG 4.42Å; R61-E78 IonicContact CZ-OE1 2.89Å; R61-E78 IonicContact CZ-OE2 3.88Å; R61-E78 VanDerWaalsContact NE-CD 3.32Å; R61-E78 IonicContact NE-OE1 3.25Å; R61-E78 PolarHBondContact NE-OE1 3.48Å; R61-E78 IonicContact NE-OE2 3.76Å; R61-E78 PolarHBondContact NE-OE2 3.05Å; R61-E78 IonicContact NH2-OE1 2.7Å; R61-E78 IonicContact NH2-OE2 3.03Å; R61-E78 PolarHBondContact NH2-OE2 2.87Å |
| 79 | P | 98.4 | Very high | 98.4 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -75.2 | 167.2 | -0.3 | 33.6 | -38 | 0 | 0 | 0 | 113.9 | F77 Y155 | F77-P79 CarbonylContact C-O 3.13Å; F77-P79 WeakPolarHBondContact CB-O 3.46Å; F77-P79 CarbonylContact O-C 3.47Å; P79-Y155 HydrophobicContact CG-CE1 3.73Å; P79-Y155 VanDerWaalsContact CG-OH 3.28Å; P79-Y155 WeakPolarHBondContact CG-OH 3.19Å |
| 80 | P | 98.4 | Very high | 98.4 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -55.2 | 146.8 | 172.5 | -24 | 34.1 | 0 | 0 | 0 | 112.7 | P88 | P80-P88 VanDerWaalsContact CG-O 3.27Å; P80-P88 WeakPolarHBondContact CG-O 3.46Å |
| 81 | L | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -104 | 150.6 | 179.9 | -60.2 | -176.5 | 0 | 0 | 0 | 111.8 | W53 F58 F77 H83 L120 Y155 | W53-L81 HydrophobicContact CZ3-CD1 4.25Å; F58-L81 HydrophobicContact CB-CD1 4.01Å; F58-L81 HydrophobicContact CD1-CD1 3.94Å; F58-L81 HydrophobicContact CD1-CD2 3.86Å; F58-L81 HydrophobicContact CG-CD1 4Å; F77-L81 HydrophobicContact CB-CG 4.08Å; F77-L81 HydrophobicContact CD1-CD1 3.6Å; F77-L81 HydrophobicContact CD1-CG 3.94Å; F77-L81 HydrophobicContact CD2-CD1 3.96Å; F77-L81 HydrophobicContact CD2-CG 4.12Å; F77-L81 HydrophobicContact CE1-CD1 3.57Å; F77-L81 HydrophobicContact CE1-CG 4.41Å; F77-L81 HydrophobicContact CE2-CD1 3.9Å; F77-L81 HydrophobicContact CG-CD1 3.81Å; F77-L81 HydrophobicContact CG-CG 3.79Å; F77-L81 HydrophobicContact CZ-CD1 3.72Å; L81-H83 PolarHBondContact O-N 3.17Å; L81-H83 VanDerWaalsContact O-N 3.11Å; L81-L120 HydrophobicContact CD1-CD2 4.18Å; L81-Y155 HydrophobicContact CD2-CD2 4.13Å; L81-Y155 HydrophobicContact CD2-CE2 3.82Å |
| 82 | F | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 11% | 0.105 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -70 | 100 | 162.7 | 179.6 | -97.1 | 0 | 0 | 0 | 109.5 | E132 A133 I136 Y144 R147 V148 Q151 | F82-E132 HydrophobicContact CE2-CG 4.25Å; F82-A133 HydrophobicContact CD1-CB 4.48Å; F82-A133 HydrophobicContact CD2-CB 4.01Å; F82-A133 HydrophobicContact CE1-CB 4.25Å; F82-A133 HydrophobicContact CE2-CB 3.75Å; F82-A133 HydrophobicContact CG-CB 4.37Å; F82-A133 HydrophobicContact CZ-CB 3.88Å; F82-I136 HydrophobicContact CE2-CD1 4.16Å; F82-I136 HydrophobicContact CZ-CB 4.35Å; F82-I136 HydrophobicContact CZ-CD1 3.93Å; F82-I136 HydrophobicContact CZ-CG2 4.48Å; F82-Y144 HydrophobicContact CD1-CE2 4.36Å; F82-Y144 AromaticContact CE1-CD2 3.64Å; F82-Y144 HydrophobicContact CE1-CD2 3.64Å; F82-Y144 AromaticContact CE1-CE2 3.79Å; F82-Y144 HydrophobicContact CE1-CE2 3.79Å; F82-Y144 HydrophobicContact CZ-CD2 4.25Å; F82-R147 HydrophobicContact CD1-CB 4.11Å; F82-R147 HydrophobicContact CE1-CB 3.93Å; F82-V148 HydrophobicContact CD1-CG2 4.48Å; F82-Q151 PolarHBondContact O-NE2 3.08Å |
| 83 | H | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -157.8 | 140.6 | -179.7 | -172.7 | -91 | 0 | 0 | 0 | 111.2 | W53 L81 N85 V86 L119 L120 A133 | W53-H83 HydrophobicContact CH2-CB 4.38Å; W53-H83 AromaticContact CH2-CD2 3.9Å; W53-H83 AromaticContact CZ2-CD2 3.65Å; L81-H83 PolarHBondContact O-N 3.17Å; L81-H83 VanDerWaalsContact O-N 3.11Å; H83-N85 VanDerWaalsContact C-N 3.25Å; H83-N85 PolarHBondContact CE1-OD1 3Å; H83-N85 PolarHBondContact ND1-N 3.18Å; H83-N85 PolarHBondContact O-N 2.95Å; H83-V86 HydrophobicContact CB-CB 3.97Å; H83-V86 HydrophobicContact CB-CG2 3.7Å; H83-V86 PolarHBondContact O-N 3.45Å; H83-L119 PolarHBondContact CE1-O 2.9Å; H83-L119 VanDerWaalsContact CE1-O 3.3Å; H83-L119 PolarHBondContact NE2-O 2.89Å; H83-L120 WeakPolarHBondContact NE2-CA 3.48Å; H83-A133 VanDerWaalsContact C-CB 3.47Å | ||
| 84 | P | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.1 | -177.1 | -26.5 | 36.5 | 0 | 0 | 0 | 114.2 | P123 A129 Q130 A133 Y137 Y144 | P84-P123 HydrophobicContact CB-CB 4.1Å; P84-P123 HydrophobicContact CG-CB 3.8Å; P84-P123 HydrophobicContact CG-CG 4.15Å; P84-A129 WeakPolarHBondContact O-CA 3.35Å; P84-A129 PolarHBondContact O-N 3.45Å; P84-Q130 PolarHBondContact O-N 3.16Å; P84-A133 HydrophobicContact CG-CB 4.27Å; P84-Y137 HydrophobicContact CG-CD2 4.18Å; P84-Y137 HydrophobicContact CG-CG 4.16Å; P84-Y144 WeakPolarHBondContact CD-OH 3.41Å; P84-Y144 HydrophobicContact CG-CE2 4.08Å |
| 85 | N | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 20.4 | -178.4 | -49.9 | 104.5 | 0 | 0 | 0 | 114.4 | H83 C93 L119 P123 N124 D127 | H83-N85 VanDerWaalsContact C-N 3.25Å; H83-N85 PolarHBondContact CE1-OD1 3Å; H83-N85 PolarHBondContact ND1-N 3.18Å; H83-N85 PolarHBondContact O-N 2.95Å; N85-C93 HydrophobicContact CB-CB 4.44Å; N85-C93 PolarHBondContact O-N 3.3Å; N85-L119 HydrophobicContact CB-CD1 4.08Å; N85-L119 HydrophobicContact CB-CD2 3.97Å; N85-L119 HydrophobicContact CB-CG 4.25Å; N85-P123 WeakPolarHBondContact OD1-CA 3.49Å; N85-N124 PolarHBondContact ND2-O 3.42Å; N85-N124 PolarHBondContact OD1-N 3.4Å; N85-D127 PolarHBondContact ND2-O 3.1Å |
| 86 | V | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 121.2 | 172.3 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | F77 H83 T91 Q130 | F77-V86 HydrophobicContact CD2-CB 4.49Å; F77-V86 HydrophobicContact CD2-CG1 3.89Å; F77-V86 HydrophobicContact CD2-CG2 3.69Å; F77-V86 HydrophobicContact CE2-CG2 3.64Å; H83-V86 HydrophobicContact CB-CB 3.97Å; H83-V86 HydrophobicContact CB-CG2 3.7Å; H83-V86 PolarHBondContact O-N 3.45Å; V86-T91 WeakPolarHBondContact CA-O 3.44Å; V86-Q130 VanDerWaalsContact O-CB 3.28Å; V86-Q130 WeakPolarHBondContact O-CB 3.34Å |
| 87 | Y | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 30.3 Ų | 30.3 | 40% | 0.396 | 17% | 0.173 | S | C | . | . | trans | -63.1 | 159.2 | 176.3 | -74.1 | -79.5 | 0 | 0 | 0 | 111 | S89 G90 T91 C93 A129 | Y87-S89 PolarHBondContact O-N 3.37Å; Y87-G90 WeakPolarHBondContact O-CA 3.38Å; Y87-G90 PolarHBondContact O-N 2.92Å; Y87-T91 HydrophobicContact CD2-CG2 4.25Å; Y87-T91 WeakPolarHBondContact CD2-O 3.42Å; Y87-T91 PolarHBondContact N-O 3.48Å; Y87-C93 HydrophobicContact CE2-CB 4.19Å; Y87-A129 HydrophobicContact CD1-CB 3.85Å; Y87-A129 WeakPolarHBondContact CD1-O 3.4Å; Y87-A129 HydrophobicContact CD2-CB 3.82Å; Y87-A129 HydrophobicContact CE1-CB 3.86Å; Y87-A129 HydrophobicContact CE2-CB 3.84Å; Y87-A129 HydrophobicContact CG-CB 3.83Å | ||
| 88 | P | 98 | Very high | 97.7 | Very high | 94 Ų | 94 | 33.1 Ų | 33.1 | 61% | 0.61 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -23.6 | 170.4 | -26.5 | 35.3 | 0 | 0 | 0 | 113.7 | P80 G90 | P80-P88 VanDerWaalsContact CG-O 3.27Å; P80-P88 WeakPolarHBondContact CG-O 3.46Å; P88-G90 PolarHBondContact O-N 2.91Å |
| 89 | S | 97.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 35 Ų | 35 | 42% | 0.42 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15.3 | 172 | 68.3 | 0 | 0 | 0 | 0 | 113.7 | K76 Y87 T91 | K76-S89 WeakPolarHBondContact CE-O 3.42Å; Y87-S89 PolarHBondContact O-N 3.37Å; S89-T91 WeakPolarHBondContact OG-CB 3.31Å; S89-T91 PolarHBondContact OG-N 3.48Å; S89-T91 PolarHBondContact OG-OG1 2.83Å |
| 90 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | 92.2 | -9.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K76 F77 Y87 P88 V92 | K76-G90 CarbonylContact C-O 3.59Å; K76-G90 VanDerWaalsContact CA-O 3.26Å; K76-G90 WeakPolarHBondContact CA-O 3.35Å; F77-G90 PolarHBondContact N-O 3.32Å; Y87-G90 WeakPolarHBondContact O-CA 3.38Å; Y87-G90 PolarHBondContact O-N 2.92Å; P88-G90 PolarHBondContact O-N 2.91Å; G90-V92 PolarHBondContact O-N 2.94Å | ||
| 91 | T | 98.5 | Very high | 96.8 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -61 | 130.9 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | K74 V86 Y87 S89 | K74-T91 VanDerWaalsContact CE-OG1 3.22Å; K74-T91 WeakPolarHBondContact CE-OG1 3.47Å; K74-T91 HydrophobicContact CG-CG2 4.36Å; V86-T91 WeakPolarHBondContact CA-O 3.44Å; Y87-T91 HydrophobicContact CD2-CG2 4.25Å; Y87-T91 WeakPolarHBondContact CD2-O 3.42Å; Y87-T91 PolarHBondContact N-O 3.48Å; S89-T91 WeakPolarHBondContact OG-CB 3.31Å; S89-T91 PolarHBondContact OG-N 3.48Å; S89-T91 PolarHBondContact OG-OG1 2.83Å |
| 92 | V | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 131.8 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 110 | C75 F77 G90 L94 L97 I116 L119 | C75-V92 HydrophobicContact CB-CB 4.36Å; C75-V92 HydrophobicContact CB-CG2 4.23Å; C75-V92 PolarHBondContact O-N 3.03Å; F77-V92 HydrophobicContact CD2-CG2 3.64Å; F77-V92 HydrophobicContact CE2-CG2 3.5Å; F77-V92 VanDerWaalsContact CE2-CG2 3.5Å; F77-V92 HydrophobicContact CZ-CG2 4.41Å; G90-V92 PolarHBondContact O-N 2.94Å; V92-L94 HydrophobicContact CG1-CB 4.35Å; V92-L97 HydrophobicContact CB-CD1 4.16Å; V92-L97 HydrophobicContact CG1-CD1 4.23Å; V92-I116 HydrophobicContact CG1-CG1 4.31Å; V92-L119 HydrophobicContact CG1-CD2 3.71Å |
| 93 | C | 97 | Very high | 96.7 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | trans | -97.9 | 113.3 | 169.8 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | N85 Y87 L119 D127 A129 | N85-C93 HydrophobicContact CB-CB 4.44Å; N85-C93 PolarHBondContact O-N 3.3Å; Y87-C93 HydrophobicContact CE2-CB 4.19Å; C93-L119 WeakPolarHBondContact O-CD2 3.24Å; C93-D127 PolarHBondContact SG-OD2 2.97Å; C93-A129 HydrophobicContact CB-CB 4.24Å | ||
| 94 | L | 96.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 15% | 0.147 | 27% | 0.268 | C | S | . | . | trans | -153 | 135.7 | 179.7 | -179.5 | 62.5 | 0 | 0 | 0 | 107.8 | V92 I96 L97 I116 L119 | V92-L94 HydrophobicContact CG1-CB 4.35Å; L94-I96 VanDerWaalsContact C-N 3.27Å; L94-I96 HydrophobicContact CD2-CD1 3.88Å; L94-I96 HydrophobicContact CD2-CG1 3.5Å; L94-I96 HydrophobicContact CG-CG1 3.69Å; L94-I96 PolarHBondContact O-N 2.84Å; L94-L97 HydrophobicContact CB-CB 4.49Å; L94-L97 HydrophobicContact CB-CD1 4.02Å; L94-L97 HydrophobicContact CB-CG 4.12Å; L94-L97 HydrophobicContact CD2-CG 4.45Å; L94-L97 WeakPolarHBondContact O-CA 3.36Å; L94-L97 WeakPolarHBondContact O-CB 3.5Å; L94-L97 PolarHBondContact O-N 2.88Å; L94-I116 HydrophobicContact CD2-CG1 4.11Å; L94-L119 HydrophobicContact CB-CD2 4.25Å; L94-L119 HydrophobicContact CD1-CD1 4.38Å; L94-L119 HydrophobicContact CD1-CD2 4.32Å | ||
| 95 | S | 95.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 56.4 Ų | 56.4 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -61.2 | -33 | -171.4 | 63 | 0 | 0 | 0 | 0 | 113.9 | L97 E98 D102 | S95-L97 PolarHBondContact O-N 2.86Å; S95-E98 PolarHBondContact O-N 2.77Å; S95-D102 WeakPolarHBondContact CB-OD2 3.12Å; S95-D102 PolarHBondContact O-N 3.26Å; S95-D102 VanDerWaalsContact O-N 3.17Å; S95-D102 PolarHBondContact OG-OD2 2.88Å |
| 96 | I | 96.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -74.4 | 0.9 | 173.7 | 63.1 | 160.3 | 0 | 0 | 0 | 113.8 | L94 D102 I107 I112 | L94-I96 VanDerWaalsContact C-N 3.27Å; L94-I96 HydrophobicContact CD2-CD1 3.88Å; L94-I96 HydrophobicContact CD2-CG1 3.5Å; L94-I96 HydrophobicContact CG-CG1 3.69Å; L94-I96 PolarHBondContact O-N 2.84Å; I96-D102 HydrophobicContact CG2-CB 3.9Å; I96-I107 HydrophobicContact CB-CD1 3.92Å; I96-I107 HydrophobicContact CG2-CD1 3.92Å; I96-I112 HydrophobicContact CD1-CG1 4.42Å |
| 97 | L | 97 | Very high | 96.6 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -107.3 | 7.5 | 172 | -62.4 | 179.9 | 0 | 0 | 0 | 112.1 | P72 P73 C75 V92 L94 S95 I112 I116 | P72-L97 VanDerWaalsContact CG-O 3.25Å; P72-L97 WeakPolarHBondContact CG-O 3.5Å; P73-L97 HydrophobicContact CG-CD2 4.5Å; C75-L97 HydrophobicContact CB-CD1 3.87Å; V92-L97 HydrophobicContact CB-CD1 4.16Å; V92-L97 HydrophobicContact CG1-CD1 4.23Å; L94-L97 HydrophobicContact CB-CB 4.49Å; L94-L97 HydrophobicContact CB-CD1 4.02Å; L94-L97 HydrophobicContact CB-CG 4.12Å; L94-L97 HydrophobicContact CD2-CG 4.45Å; L94-L97 WeakPolarHBondContact O-CA 3.36Å; L94-L97 WeakPolarHBondContact O-CB 3.5Å; L94-L97 PolarHBondContact O-N 2.88Å; S95-L97 PolarHBondContact O-N 2.86Å; L97-I112 HydrophobicContact CD2-CD1 4.46Å; L97-I112 HydrophobicContact CD2-CG1 4.43Å; L97-I112 HydrophobicContact CD2-CG2 3.78Å; L97-I116 HydrophobicContact CD1-CD1 4.43Å |
| 98 | E | 93.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 58.4 Ų | 58.4 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | trans | -118.8 | 127.4 | -178.9 | -68.3 | -179.7 | -122.1 | 0 | 0 | 110.3 | S95 D100 K101 W103 | S95-E98 PolarHBondContact O-N 2.77Å; E98-D100 VanDerWaalsContact C-N 3.33Å; E98-D100 PolarHBondContact O-N 3.38Å; E98-K101 HydrophobicContact CB-CB 4.04Å; E98-K101 HydrophobicContact CB-CD 4.09Å; E98-K101 HydrophobicContact CB-CG 4.05Å; E98-K101 HydrophobicContact CG-CD 4.43Å; E98-K101 PolarHBondContact O-N 3.2Å; E98-K101 IonicContact OE1-NZ 2.83Å; E98-K101 PolarHBondContact OE1-NZ 3.04Å; E98-K101 VanDerWaalsContact OE2-CD 3.26Å; E98-K101 WeakPolarHBondContact OE2-CD 3.41Å; E98-K101 WeakPolarHBondContact OE2-CE 3.33Å; E98-K101 IonicContact OE2-NZ 2.66Å; E98-K101 PolarHBondContact OE2-NZ 3.35Å; E98-W103 WeakPolarHBondContact O-CB 3.22Å; E98-W103 PolarHBondContact O-N 3.03Å | ||
| 99 | E | 89.4 | Confident | 96.6 | Very high | 105 Ų | 105 | 54 Ų | 54 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -39.3 | -172.4 | -168.3 | 171.5 | 166.4 | 0 | 0 | 112.3 | P72 K101 | P72-E99 HydrophobicContact CG-CB 4.34Å; E99-K101 VanDerWaalsContact C-N 3.35Å |
| 100 | D | 92.6 | Very high | 96.7 | Very high | 162 Ų | 162 | 54.3 Ų | 54.3 | 87% | 0.866 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.2 | -177.8 | -56.8 | -48.2 | 0 | 0 | 0 | 113.9 | E98 | E98-D100 VanDerWaalsContact C-N 3.33Å; E98-D100 PolarHBondContact O-N 3.38Å |
| 101 | K | 93.9 | Very high | 96.7 | Very high | 97 Ų | 97 | 59.1 Ų | 59.1 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -112.8 | 177.8 | -64.6 | -173.6 | -178.5 | 159.9 | 0 | 111.2 | E98 E99 D127 | E98-K101 HydrophobicContact CB-CB 4.04Å; E98-K101 HydrophobicContact CB-CD 4.09Å; E98-K101 HydrophobicContact CB-CG 4.05Å; E98-K101 HydrophobicContact CG-CD 4.43Å; E98-K101 PolarHBondContact O-N 3.2Å; E98-K101 IonicContact OE1-NZ 2.83Å; E98-K101 PolarHBondContact OE1-NZ 3.04Å; E98-K101 VanDerWaalsContact OE2-CD 3.26Å; E98-K101 WeakPolarHBondContact OE2-CD 3.41Å; E98-K101 WeakPolarHBondContact OE2-CE 3.33Å; E98-K101 IonicContact OE2-NZ 2.66Å; E98-K101 PolarHBondContact OE2-NZ 3.35Å; E99-K101 VanDerWaalsContact C-N 3.35Å; K101-D127 IonicContact NZ-OD2 2.82Å; K101-D127 PolarHBondContact NZ-OD2 3.32Å |
| 102 | D | 96.5 | Very high | 96.7 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4 | -170.1 | -66.3 | -39.7 | 0 | 0 | 0 | 112.9 | S95 I96 R104 | S95-D102 WeakPolarHBondContact CB-OD2 3.12Å; S95-D102 PolarHBondContact O-N 3.26Å; S95-D102 VanDerWaalsContact O-N 3.17Å; S95-D102 PolarHBondContact OG-OD2 2.88Å; I96-D102 HydrophobicContact CG2-CB 3.9Å; D102-R104 PolarHBondContact O-N 2.81Å |
| 103 | W | 98.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 8% | 0.076 | 30% | 0.297 | C | S | . | . | trans | -59.2 | 135.8 | 176.2 | 174.5 | -113.2 | 0 | 0 | 0 | 111 | Y68 P69 S70 S71 P72 E98 I107 I112 | Y68-W103 HydrophobicContact CD2-CZ2 4.38Å; Y68-W103 HydrophobicContact CE2-CH2 4.02Å; Y68-W103 HydrophobicContact CE2-CZ2 4.12Å; P69-W103 VanDerWaalsContact O-CZ2 3.32Å; P69-W103 WeakPolarHBondContact O-CZ2 3.28Å; P69-W103 PolarHBondContact O-NE1 2.67Å; S70-W103 VanDerWaalsContact O-CD1 3.23Å; S70-W103 PolarHBondContact O-NE1 2.89Å; S71-W103 WeakPolarHBondContact O-CZ2 3.49Å; P72-W103 VanDerWaalsContact CA-CE2 3.47Å; P72-W103 HydrophobicContact CB-CB 4.32Å; P72-W103 HydrophobicContact CB-CD2 3.55Å; P72-W103 HydrophobicContact CB-CE3 3.75Å; P72-W103 HydrophobicContact CB-CG 3.81Å; P72-W103 HydrophobicContact CB-CZ2 4.41Å; P72-W103 HydrophobicContact CB-CZ3 4.23Å; P72-W103 HydrophobicContact CG-CB 4.4Å; P72-W103 HydrophobicContact CG-CD2 4.34Å; P72-W103 HydrophobicContact CG-CG 4.11Å; E98-W103 WeakPolarHBondContact O-CB 3.22Å; E98-W103 PolarHBondContact O-N 3.03Å; W103-I107 HydrophobicContact CE3-CB 4.18Å; W103-I107 HydrophobicContact CE3-CD1 4.04Å; W103-I107 HydrophobicContact CH2-CB 4.43Å; W103-I107 HydrophobicContact CZ3-CB 3.78Å; W103-I107 HydrophobicContact CZ3-CD1 4.49Å; W103-I107 HydrophobicContact CZ3-CG2 3.96Å; W103-I112 HydrophobicContact CH2-CD1 4.49Å; W103-I112 HydrophobicContact CZ3-CD1 4.03Å | ||
| 104 | R | 97.9 | Very high | 96.8 | Very high | 172 Ų | 172 | 60.4 Ų | 60.4 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | trans | -135.9 | 137 | 170.3 | -56 | 177.9 | -168.6 | -179.7 | 1.9 | 107.6 | D102 A106 I107 | D102-R104 PolarHBondContact O-N 2.81Å; R104-A106 PolarHBondContact O-N 2.89Å; R104-I107 HydrophobicContact CB-CD1 4.22Å; R104-I107 HydrophobicContact CB-CG1 4.13Å; R104-I107 WeakPolarHBondContact O-CB 3.4Å; R104-I107 WeakPolarHBondContact O-CG1 3.34Å; R104-I107 PolarHBondContact O-N 3.33Å | ||
| 105 | P | 97.7 | Very high | 96.9 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.5 | 178.4 | -29.2 | 35.5 | 0 | 0 | 0 | 114 | R8 P69 I107 | R8-P105 VanDerWaalsContact CZ-O 3.29Å; R8-P105 PolarHBondContact NH1-O 3.39Å; R8-P105 PolarHBondContact NH2-O 3.45Å; P69-P105 HydrophobicContact CB-CB 4.12Å; P69-P105 HydrophobicContact CG-CB 4.22Å; P69-P105 VanDerWaalsContact O-CA 3.32Å; P69-P105 WeakPolarHBondContact O-CA 3.43Å; P69-P105 VanDerWaalsContact O-CB 3.31Å; P69-P105 WeakPolarHBondContact O-CB 3.2Å; P69-P105 WeakPolarHBondContact O-CG 3.26Å; P105-I107 VanDerWaalsContact C-N 3.29Å; P105-I107 PolarHBondContact O-N 3.07Å |
| 106 | A | 97.9 | Very high | 97.1 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 66% | 0.661 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -11.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R104 T108 | R104-A106 PolarHBondContact O-N 2.89Å; A106-T108 PolarHBondContact O-N 3.22Å |
| 107 | I | 98.6 | Very high | 97.2 | Very high | 20 Ų | 20 | 58 Ų | 58 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | trans | -65.6 | 130.6 | 177.5 | -65.4 | 174.8 | 0 | 0 | 0 | 109.2 | R8 I96 W103 R104 P105 Q111 I112 | R8-I107 PolarHBondContact NH2-O 2.74Å; I96-I107 HydrophobicContact CB-CD1 3.92Å; I96-I107 HydrophobicContact CG2-CD1 3.92Å; W103-I107 HydrophobicContact CE3-CB 4.18Å; W103-I107 HydrophobicContact CE3-CD1 4.04Å; W103-I107 HydrophobicContact CH2-CB 4.43Å; W103-I107 HydrophobicContact CZ3-CB 3.78Å; W103-I107 HydrophobicContact CZ3-CD1 4.49Å; W103-I107 HydrophobicContact CZ3-CG2 3.96Å; R104-I107 HydrophobicContact CB-CD1 4.22Å; R104-I107 HydrophobicContact CB-CG1 4.13Å; R104-I107 WeakPolarHBondContact O-CB 3.4Å; R104-I107 WeakPolarHBondContact O-CG1 3.34Å; R104-I107 PolarHBondContact O-N 3.33Å; P105-I107 VanDerWaalsContact C-N 3.29Å; P105-I107 PolarHBondContact O-N 3.07Å; I107-Q111 HydrophobicContact CG2-CB 4.03Å; I107-I112 HydrophobicContact CG2-CD1 4.34Å; I107-I112 HydrophobicContact CG2-CG1 3.74Å | ||
| 108 | T | 98.8 | Very high | 97.2 | Very high | 44 Ų | 44 | 60 Ų | 60 | 27% | 0.27 | 31% | 0.308 | S | S | . | . | trans | -91.3 | 158.7 | -178.6 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | E12 A106 K110 Q111 I112 | E12-T108 WeakPolarHBondContact OE2-CA 3.44Å; A106-T108 PolarHBondContact O-N 3.22Å; T108-K110 PolarHBondContact O-N 3.17Å; T108-Q111 PolarHBondContact O-N 3.44Å; T108-Q111 VanDerWaalsContact O-N 3.08Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.44Å; T108-Q111 PolarHBondContact OG1-N 2.74Å; T108-Q111 VanDerWaalsContact OG1-N 3.17Å; T108-Q111 PolarHBondContact OG1-OE1 3.01Å; T108-I112 WeakPolarHBondContact O-CG1 3.47Å; T108-I112 PolarHBondContact O-N 3.38Å | ||
| 109 | I | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.4 | -36.4 | 172 | -67.4 | -178.8 | 0 | 0 | 0 | 110.7 | E12 W16 A26 W41 M62 F64 I112 L113 | E12-I109 HydrophobicContact CB-CD1 3.73Å; E12-I109 HydrophobicContact CB-CG1 4.16Å; E12-I109 HydrophobicContact CG-CD1 4.1Å; E12-I109 HydrophobicContact CG-CG1 4.11Å; E12-I109 PolarHBondContact OE2-N 2.87Å; W16-I109 HydrophobicContact CE3-CG2 4.41Å; A26-I109 HydrophobicContact CB-CG2 4.39Å; W41-I109 HydrophobicContact CD2-CD1 4.19Å; W41-I109 HydrophobicContact CE3-CD1 4.01Å; W41-I109 HydrophobicContact CH2-CD1 3.5Å; W41-I109 VanDerWaalsContact CH2-CD1 3.5Å; W41-I109 HydrophobicContact CZ2-CD1 3.71Å; W41-I109 HydrophobicContact CZ3-CD1 3.67Å; M62-I109 HydrophobicContact CE-CG2 4.15Å; M62-I109 HydrophobicContact SD-CD1 4.31Å; M62-I109 HydrophobicContact SD-CG1 4.06Å; M62-I109 HydrophobicContact SD-CG2 4.12Å; F64-I109 HydrophobicContact CE1-CD1 4.42Å; F64-I109 HydrophobicContact CZ-CD1 3.72Å; F64-I109 HydrophobicContact CZ-CG1 4.17Å; I109-I112 PolarHBondContact O-N 3.29Å; I109-L113 HydrophobicContact CG2-CD1 3.93Å; I109-L113 HydrophobicContact CG2-CG 4.32Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.85Å |
| 110 | K | 98.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.9 | -177.7 | 175.8 | -178.1 | -179.5 | 0 | 112.4 | W16 D19 P21 T108 I112 L113 L114 | W16-K110 HydrophobicContact CE3-CB 4.33Å; W16-K110 HydrophobicContact CZ3-CB 4.17Å; D19-K110 IonicContact OD2-NZ 3.41Å; D19-K110 PolarHBondContact OD2-NZ 3.44Å; P21-K110 HydrophobicContact CG-CG 4.22Å; T108-K110 PolarHBondContact O-N 3.17Å; K110-I112 VanDerWaalsContact C-N 3.35Å; K110-L113 PolarHBondContact O-N 2.91Å; K110-L114 HydrophobicContact CG-CD1 4.01Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.3Å; K110-L114 WeakPolarHBondContact O-CG 3.35Å; K110-L114 PolarHBondContact O-N 3Å |
| 111 | Q | 98.8 | Very high | 98.1 | Very high | 102 Ų | 102 | 47.2 Ų | 47.2 | 48% | 0.477 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 177.5 | -74.8 | 163.7 | -49.8 | 0 | 0 | 111.9 | I107 T108 G115 | I107-Q111 HydrophobicContact CG2-CB 4.03Å; T108-Q111 PolarHBondContact O-N 3.44Å; T108-Q111 VanDerWaalsContact O-N 3.08Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.44Å; T108-Q111 PolarHBondContact OG1-N 2.74Å; T108-Q111 VanDerWaalsContact OG1-N 3.17Å; T108-Q111 PolarHBondContact OG1-OE1 3.01Å; Q111-G115 PolarHBondContact O-N 3.03Å |
| 112 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -52.3 | 176.2 | -65.7 | 168.5 | 0 | 0 | 0 | 110.6 | M62 P73 I96 L97 W103 I107 T108 I109 K110 L114 G115 I116 | M62-I112 HydrophobicContact CE-CB 4.31Å; M62-I112 HydrophobicContact CE-CG2 3.73Å; P73-I112 HydrophobicContact CG-CD1 3.58Å; I96-I112 HydrophobicContact CD1-CG1 4.42Å; L97-I112 HydrophobicContact CD2-CD1 4.46Å; L97-I112 HydrophobicContact CD2-CG1 4.43Å; L97-I112 HydrophobicContact CD2-CG2 3.78Å; W103-I112 HydrophobicContact CH2-CD1 4.49Å; W103-I112 HydrophobicContact CZ3-CD1 4.03Å; I107-I112 HydrophobicContact CG2-CD1 4.34Å; I107-I112 HydrophobicContact CG2-CG1 3.74Å; T108-I112 WeakPolarHBondContact O-CG1 3.47Å; T108-I112 PolarHBondContact O-N 3.38Å; I109-I112 PolarHBondContact O-N 3.29Å; K110-I112 VanDerWaalsContact C-N 3.35Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.23Å; I112-G115 PolarHBondContact O-N 2.73Å; I112-G115 VanDerWaalsContact O-N 3.17Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 HydrophobicContact CG2-CG1 4.46Å; I112-I116 WeakPolarHBondContact O-CG1 3.07Å; I112-I116 PolarHBondContact O-N 3Å |
| 113 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | -177 | -66.7 | 175.1 | 0 | 0 | 0 | 112.3 | W16 F24 A26 C43 I45 L60 M62 I109 K110 I116 Q117 | W16-L113 HydrophobicContact CH2-CD1 3.46Å; W16-L113 VanDerWaalsContact CH2-CD1 3.46Å; W16-L113 HydrophobicContact CZ2-CD1 4.28Å; W16-L113 HydrophobicContact CZ3-CD1 3.67Å; F24-L113 HydrophobicContact CD1-CB 3.9Å; F24-L113 HydrophobicContact CE1-CB 3.96Å; A26-L113 HydrophobicContact CB-CD1 3.92Å; C43-L113 HydrophobicContact CB-CD1 4.43Å; C43-L113 HydrophobicContact CB-CD2 3.95Å; I45-L113 HydrophobicContact CD1-CB 4.49Å; I45-L113 HydrophobicContact CD1-CD2 3.88Å; I45-L113 HydrophobicContact CG1-CB 4.48Å; I45-L113 HydrophobicContact CG1-CD2 3.99Å; L60-L113 HydrophobicContact CD1-CD2 4.4Å; L60-L113 HydrophobicContact CD2-CD2 4.24Å; M62-L113 HydrophobicContact CE-CD2 3.85Å; M62-L113 HydrophobicContact CE-CG 4.15Å; I109-L113 HydrophobicContact CG2-CD1 3.93Å; I109-L113 HydrophobicContact CG2-CG 4.32Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 2.85Å; K110-L113 PolarHBondContact O-N 2.91Å; L113-I116 PolarHBondContact O-N 2.97Å; L113-Q117 PolarHBondContact O-N 3.08Å |
| 114 | L | 98.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 47.8 Ų | 47.8 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 172.4 | -73.3 | 169.9 | 0 | 0 | 0 | 111.9 | P21 F24 K110 I112 I116 Q117 E118 | P21-L114 HydrophobicContact CB-CD2 4.42Å; P21-L114 HydrophobicContact CG-CD1 4.29Å; P21-L114 HydrophobicContact CG-CD2 3.96Å; P21-L114 HydrophobicContact CG-CG 4.23Å; F24-L114 HydrophobicContact CE2-CD2 4.32Å; F24-L114 HydrophobicContact CZ-CD2 3.95Å; K110-L114 HydrophobicContact CG-CD1 4.01Å; K110-L114 WeakPolarHBondContact O-CB 3.38Å; K110-L114 VanDerWaalsContact O-CG 3.3Å; K110-L114 WeakPolarHBondContact O-CG 3.35Å; K110-L114 PolarHBondContact O-N 3Å; I112-L114 VanDerWaalsContact C-N 3.34Å; I112-L114 PolarHBondContact O-N 3.23Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.98Å; L114-Q117 WeakPolarHBondContact O-CB 3.29Å; L114-Q117 PolarHBondContact O-N 3.31Å; L114-E118 PolarHBondContact O-N 2.83Å |
| 115 | G | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q111 I112 E118 L119 | Q111-G115 PolarHBondContact O-N 3.03Å; I112-G115 PolarHBondContact O-N 2.73Å; I112-G115 VanDerWaalsContact O-N 3.17Å; G115-E118 PolarHBondContact O-N 3.47Å; G115-L119 WeakPolarHBondContact O-CB 3.39Å; G115-L119 PolarHBondContact O-N 2.85Å |
| 116 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 174.2 | -63.2 | 169.7 | 0 | 0 | 0 | 110.9 | I45 L60 C75 F77 V92 L94 L97 I112 L113 L114 E118 L119 L120 | I45-I116 HydrophobicContact CD1-CB 3.61Å; I45-I116 HydrophobicContact CD1-CD1 4.37Å; I45-I116 HydrophobicContact CD1-CG2 3.39Å; L60-I116 HydrophobicContact CD1-CD1 3.95Å; C75-I116 HydrophobicContact CB-CD1 3.89Å; F77-I116 HydrophobicContact CE2-CG2 4.23Å; F77-I116 HydrophobicContact CZ-CG2 3.68Å; V92-I116 HydrophobicContact CG1-CG1 4.31Å; L94-I116 HydrophobicContact CD2-CG1 4.11Å; L97-I116 HydrophobicContact CD1-CD1 4.43Å; I112-I116 HydrophobicContact CG2-CD1 3.88Å; I112-I116 HydrophobicContact CG2-CG1 4.46Å; I112-I116 WeakPolarHBondContact O-CG1 3.07Å; I112-I116 PolarHBondContact O-N 3Å; L113-I116 PolarHBondContact O-N 2.97Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.98Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 2.79Å; I116-L119 WeakPolarHBondContact O-CB 3.46Å; I116-L119 PolarHBondContact O-N 2.82Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.86Å; I116-L120 VanDerWaalsContact O-N 3.14Å |
| 117 | Q | 98.8 | Very high | 97.3 | Very high | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 175 | -171.1 | -173.4 | 53.2 | 0 | 0 | 111.8 | F24 I45 P46 K48 L113 L114 L120 | F24-Q117 HydrophobicContact CE1-CB 4.27Å; F24-Q117 HydrophobicContact CZ-CB 3.89Å; F24-Q117 VanDerWaalsContact CZ-CD 3.42Å; F24-Q117 HydrophobicContact CZ-CG 4.13Å; I45-Q117 HydrophobicContact CG2-CB 3.67Å; I45-Q117 HydrophobicContact CG2-CG 3.92Å; P46-Q117 PolarHBondContact O-NE2 2.91Å; K48-Q117 HydrophobicContact CB-CG 4.21Å; L113-Q117 PolarHBondContact O-N 3.08Å; L114-Q117 WeakPolarHBondContact O-CB 3.29Å; L114-Q117 PolarHBondContact O-N 3.31Å; Q117-L120 WeakPolarHBondContact O-CB 3.36Å; Q117-L120 PolarHBondContact O-N 2.84Å |
| 118 | E | 98.4 | Very high | 97.1 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 176.9 | -161.9 | 61.8 | -121.5 | 0 | 0 | 111.2 | K48 L114 G115 I116 L120 N121 E122 | K48-E118 IonicContact NZ-OE1 3.81Å; K48-E118 PolarHBondContact NZ-OE1 3.5Å; K48-E118 IonicContact NZ-OE2 2.81Å; K48-E118 PolarHBondContact NZ-OE2 2.96Å; L114-E118 PolarHBondContact O-N 2.83Å; G115-E118 PolarHBondContact O-N 3.47Å; I116-E118 VanDerWaalsContact C-N 3.33Å; I116-E118 PolarHBondContact O-N 2.79Å; E118-L120 PolarHBondContact O-N 2.95Å; E118-N121 WeakPolarHBondContact O-CA 3.39Å; E118-N121 WeakPolarHBondContact O-CB 3.47Å; E118-N121 PolarHBondContact O-N 2.89Å; E118-N121 PolarHBondContact OE1-ND2 3.44Å; E118-E122 PolarHBondContact O-N 2.85Å |
| 119 | L | 98.3 | Very high | 97 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.1 | -37.4 | 176.7 | -176.6 | 68.3 | 0 | 0 | 0 | 112.4 | H83 N85 V92 C93 L94 G115 I116 N121 E122 N124 | H83-L119 PolarHBondContact CE1-O 2.9Å; H83-L119 VanDerWaalsContact CE1-O 3.3Å; H83-L119 PolarHBondContact NE2-O 2.89Å; N85-L119 HydrophobicContact CB-CD1 4.08Å; N85-L119 HydrophobicContact CB-CD2 3.97Å; N85-L119 HydrophobicContact CB-CG 4.25Å; V92-L119 HydrophobicContact CG1-CD2 3.71Å; C93-L119 WeakPolarHBondContact O-CD2 3.24Å; L94-L119 HydrophobicContact CB-CD2 4.25Å; L94-L119 HydrophobicContact CD1-CD1 4.38Å; L94-L119 HydrophobicContact CD1-CD2 4.32Å; G115-L119 WeakPolarHBondContact O-CB 3.39Å; G115-L119 PolarHBondContact O-N 2.85Å; I116-L119 WeakPolarHBondContact O-CB 3.46Å; I116-L119 PolarHBondContact O-N 2.82Å; L119-N121 VanDerWaalsContact C-N 3.27Å; L119-N121 PolarHBondContact O-N 2.79Å; L119-E122 CarbonylContact O-C 3.47Å; L119-E122 PolarHBondContact O-N 3.26Å; L119-N124 HydrophobicContact CD1-CB 4.39Å |
| 120 | L | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 174.8 | -67 | 177.4 | 0 | 0 | 0 | 111.6 | I45 W53 F58 F77 L81 H83 I116 Q117 E118 | I45-L120 HydrophobicContact CG2-CD1 4.47Å; W53-L120 HydrophobicContact CD2-CB 4.02Å; W53-L120 VanDerWaalsContact CE2-O 3.31Å; W53-L120 HydrophobicContact CE3-CB 4.47Å; W53-L120 HydrophobicContact CE3-CD1 4.27Å; W53-L120 HydrophobicContact CE3-CD2 4.27Å; W53-L120 HydrophobicContact CG-CB 4.3Å; W53-L120 HydrophobicContact CH2-CD2 3.91Å; W53-L120 HydrophobicContact CZ2-CB 4.33Å; W53-L120 HydrophobicContact CZ2-CD2 4.23Å; W53-L120 HydrophobicContact CZ3-CD2 3.91Å; W53-L120 PolarHBondContact NE1-O 3.11Å; F58-L120 HydrophobicContact CD2-CD1 4Å; F58-L120 HydrophobicContact CE2-CD1 4.38Å; F77-L120 HydrophobicContact CE2-CD2 4.5Å; F77-L120 HydrophobicContact CZ-CD2 4.18Å; L81-L120 HydrophobicContact CD1-CD2 4.18Å; H83-L120 WeakPolarHBondContact NE2-CA 3.48Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.86Å; I116-L120 VanDerWaalsContact O-N 3.14Å; Q117-L120 WeakPolarHBondContact O-CB 3.36Å; Q117-L120 PolarHBondContact O-N 2.84Å; E118-L120 PolarHBondContact O-N 2.95Å |
| 121 | N | 95.8 | Very high | 96.9 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.1 | -39.9 | -178.5 | -177.2 | 56.5 | 0 | 0 | 0 | 112.6 | T51 E118 L119 P123 | T51-N121 HydrophobicContact CG2-CB 4.28Å; T51-N121 WeakPolarHBondContact CG2-OD1 3.4Å; E118-N121 WeakPolarHBondContact O-CA 3.39Å; E118-N121 WeakPolarHBondContact O-CB 3.47Å; E118-N121 PolarHBondContact O-N 2.89Å; E118-N121 PolarHBondContact OE1-ND2 3.44Å; L119-N121 VanDerWaalsContact C-N 3.27Å; L119-N121 PolarHBondContact O-N 2.79Å; N121-P123 WeakPolarHBondContact O-CD 3.39Å |
| 122 | E | 96.8 | Very high | 96.9 | Very high | 129 Ų | 129 | 48 Ų | 48 | 60% | 0.603 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -120.1 | 79.4 | -176.3 | -59.6 | -171.2 | 159.6 | 0 | 0 | 110.8 | E118 L119 N124 | E118-E122 PolarHBondContact O-N 2.85Å; L119-E122 CarbonylContact O-C 3.47Å; L119-E122 PolarHBondContact O-N 3.26Å; E122-N124 PolarHBondContact O-N 3.24Å |
| 123 | P | 97.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.078 | 26% | 0.26 | C | S | . | . | trans | -61.4 | 138.1 | -180 | -25.1 | 35.9 | 0 | 0 | 0 | 112.5 | P84 N85 N121 I125 Y137 | P84-P123 HydrophobicContact CB-CB 4.1Å; P84-P123 HydrophobicContact CG-CB 3.8Å; P84-P123 HydrophobicContact CG-CG 4.15Å; N85-P123 WeakPolarHBondContact OD1-CA 3.49Å; N121-P123 WeakPolarHBondContact O-CD 3.39Å; P123-I125 PolarHBondContact O-N 2.75Å; P123-Y137 HydrophobicContact CB-CE2 4.09Å; P123-Y137 HydrophobicContact CG-CD2 4.05Å; P123-Y137 HydrophobicContact CG-CE2 3.49Å; P123-Y137 VanDerWaalsContact CG-CE2 3.49Å | ||
| 124 | N | 94.8 | Very high | 96.8 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | trans | -80.7 | 101.1 | 173.4 | -179.6 | 6.3 | 0 | 0 | 0 | 110.5 | N85 L119 E122 Q126 D127 | N85-N124 PolarHBondContact ND2-O 3.42Å; N85-N124 PolarHBondContact OD1-N 3.4Å; L119-N124 HydrophobicContact CD1-CB 4.39Å; E122-N124 PolarHBondContact O-N 3.24Å; N124-Q126 PolarHBondContact O-N 2.93Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.3Å; N124-Q126 PolarHBondContact OD1-N 3.39Å; N124-D127 PolarHBondContact O-N 3.18Å | ||
| 125 | I | 95 | Very high | 96.8 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13.3 | 179.9 | 62 | 171.5 | 0 | 0 | 0 | 114.3 | P123 Y134 Y137 | P123-I125 PolarHBondContact O-N 2.75Å; I125-Y134 HydrophobicContact CB-CE2 4.23Å; I125-Y137 HydrophobicContact CG2-CD1 3.97Å; I125-Y137 HydrophobicContact CG2-CE1 3.62Å |
| 126 | Q | 93.2 | Very high | 96.8 | Very high | 160 Ų | 160 | 51.5 Ų | 51.5 | 75% | 0.748 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -18.7 | 179.7 | -57.3 | -60.3 | -34.1 | 0 | 0 | 112.8 | N124 | N124-Q126 PolarHBondContact O-N 2.93Å; N124-Q126 WeakPolarHBondContact OD1-CB 3.3Å; N124-Q126 PolarHBondContact OD1-N 3.39Å |
| 127 | D | 90.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -131.5 | 67.7 | -176.8 | -156.1 | -9.5 | 0 | 0 | 0 | 111.5 | N85 C93 K101 N124 A129 | N85-D127 PolarHBondContact ND2-O 3.1Å; C93-D127 PolarHBondContact SG-OD2 2.97Å; K101-D127 IonicContact NZ-OD2 2.82Å; K101-D127 PolarHBondContact NZ-OD2 3.32Å; N124-D127 PolarHBondContact O-N 3.18Å; D127-A129 PolarHBondContact O-N 2.94Å |
| 128 | P | 93.9 | Very high | 96.7 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | trans | -72.9 | 125.6 | -176.8 | 30.2 | -34.3 | 0 | 0 | 0 | 111.7 | Y134 | P128-Y134 HydrophobicContact CB-CD1 4.41Å; P128-Y134 HydrophobicContact CB-CD2 3.66Å; P128-Y134 HydrophobicContact CB-CE2 4.21Å; P128-Y134 HydrophobicContact CB-CG 3.76Å; P128-Y134 HydrophobicContact CG-CD2 4.36Å; P128-Y134 HydrophobicContact CG-CE2 4.45Å | ||
| 129 | A | 96.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 60 Ų | 60 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -100.7 | -21.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P84 Y87 C93 D127 | P84-A129 WeakPolarHBondContact O-CA 3.35Å; P84-A129 PolarHBondContact O-N 3.45Å; Y87-A129 HydrophobicContact CD1-CB 3.85Å; Y87-A129 WeakPolarHBondContact CD1-O 3.4Å; Y87-A129 HydrophobicContact CD2-CB 3.82Å; Y87-A129 HydrophobicContact CE1-CB 3.86Å; Y87-A129 HydrophobicContact CE2-CB 3.84Å; Y87-A129 HydrophobicContact CG-CB 3.83Å; C93-A129 HydrophobicContact CB-CB 4.24Å; D127-A129 PolarHBondContact O-N 2.94Å |
| 130 | Q | 97.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 11% | 0.112 | 33% | 0.333 | C | S | . | . | trans | -132.9 | 109.5 | 178.4 | -178.2 | 172.9 | -70.6 | 0 | 0 | 112 | P84 V86 E132 A133 Y134 | P84-Q130 PolarHBondContact O-N 3.16Å; V86-Q130 VanDerWaalsContact O-CB 3.28Å; V86-Q130 WeakPolarHBondContact O-CB 3.34Å; Q130-E132 PolarHBondContact O-N 3.41Å; Q130-A133 HydrophobicContact CB-CB 4.35Å; Q130-A133 HydrophobicContact CG-CB 4.13Å; Q130-A133 PolarHBondContact O-N 3.41Å; Q130-Y134 VanDerWaalsContact O-CB 3.32Å; Q130-Y134 WeakPolarHBondContact O-CB 3.43Å; Q130-Y134 PolarHBondContact O-N 3.43Å | ||
| 131 | A | 97.5 | Very high | 96.6 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.6 | -39.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T135 | A131-T135 VanDerWaalsContact O-CB 3.3Å; A131-T135 WeakPolarHBondContact O-CB 3.48Å; A131-T135 PolarHBondContact O-N 3.05Å; A131-T135 PolarHBondContact O-OG1 3.37Å |
| 132 | E | 97.8 | Very high | 96.8 | Very high | 105 Ų | 105 | 71.3 Ų | 71.3 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -51.4 | 178.7 | -172.5 | -168.3 | -176.1 | 0 | 0 | 111.1 | F82 Q130 Y134 T135 I136 R147 | F82-E132 HydrophobicContact CE2-CG 4.25Å; Q130-E132 PolarHBondContact O-N 3.41Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.91Å; E132-T135 PolarHBondContact O-N 3.19Å; E132-I136 HydrophobicContact CG-CD1 3.9Å; E132-I136 VanDerWaalsContact O-CG1 3.3Å; E132-I136 WeakPolarHBondContact O-CG1 3.19Å; E132-I136 PolarHBondContact O-N 3.39Å; E132-R147 IonicContact OE1-CZ 3.55Å; E132-R147 IonicContact OE1-NH1 3.63Å; E132-R147 PolarHBondContact OE1-NH1 3.23Å |
| 133 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | F82 H83 P84 Q130 Y137 | F82-A133 HydrophobicContact CD1-CB 4.48Å; F82-A133 HydrophobicContact CD2-CB 4.01Å; F82-A133 HydrophobicContact CE1-CB 4.25Å; F82-A133 HydrophobicContact CE2-CB 3.75Å; F82-A133 HydrophobicContact CG-CB 4.37Å; F82-A133 HydrophobicContact CZ-CB 3.88Å; H83-A133 VanDerWaalsContact C-CB 3.47Å; P84-A133 HydrophobicContact CG-CB 4.27Å; Q130-A133 HydrophobicContact CB-CB 4.35Å; Q130-A133 HydrophobicContact CG-CB 4.13Å; Q130-A133 PolarHBondContact O-N 3.41Å; A133-Y137 WeakPolarHBondContact O-CB 3.44Å; A133-Y137 PolarHBondContact O-N 2.82Å |
| 134 | Y | 98.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 175.3 | 173.5 | -101.8 | 0 | 0 | 0 | 112.2 | I125 P128 Q130 E132 I136 Y137 C138 | I125-Y134 HydrophobicContact CB-CE2 4.23Å; P128-Y134 HydrophobicContact CB-CD1 4.41Å; P128-Y134 HydrophobicContact CB-CD2 3.66Å; P128-Y134 HydrophobicContact CB-CE2 4.21Å; P128-Y134 HydrophobicContact CB-CG 3.76Å; P128-Y134 HydrophobicContact CG-CD2 4.36Å; P128-Y134 HydrophobicContact CG-CE2 4.45Å; Q130-Y134 VanDerWaalsContact O-CB 3.32Å; Q130-Y134 WeakPolarHBondContact O-CB 3.43Å; Q130-Y134 PolarHBondContact O-N 3.43Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.91Å; Y134-I136 PolarHBondContact O-N 2.95Å; Y134-Y137 WeakPolarHBondContact O-CB 3.27Å; Y134-Y137 PolarHBondContact O-N 3Å; Y134-C138 VanDerWaalsContact CE2-SG 3.51Å; Y134-C138 WeakPolarHBondContact O-CB 3.46Å; Y134-C138 PolarHBondContact O-N 2.88Å; Y134-C138 PolarHBondContact O-SG 3.23Å; Y134-C138 VanDerWaalsContact O-SG 3.35Å |
| 135 | T | 98.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | -179.5 | -59 | 0 | 0 | 0 | 0 | 111.1 | A131 E132 Y137 C138 Q139 | A131-T135 VanDerWaalsContact O-CB 3.3Å; A131-T135 WeakPolarHBondContact O-CB 3.48Å; A131-T135 PolarHBondContact O-N 3.05Å; A131-T135 PolarHBondContact O-OG1 3.37Å; E132-T135 PolarHBondContact O-N 3.19Å; T135-Y137 PolarHBondContact O-N 3.06Å; T135-C138 PolarHBondContact O-N 3.43Å; T135-Q139 HydrophobicContact CG2-CG 4.41Å; T135-Q139 VanDerWaalsContact O-CB 3.32Å; T135-Q139 WeakPolarHBondContact O-CB 3.32Å; T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 3.24Å |
| 136 | I | 98.5 | Very high | 97.3 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.1 | -64.3 | 171.8 | 0 | 0 | 0 | 110.7 | F82 E132 Y134 C138 N140 E143 R147 | F82-I136 HydrophobicContact CE2-CD1 4.16Å; F82-I136 HydrophobicContact CZ-CB 4.35Å; F82-I136 HydrophobicContact CZ-CD1 3.93Å; F82-I136 HydrophobicContact CZ-CG2 4.48Å; E132-I136 HydrophobicContact CG-CD1 3.9Å; E132-I136 VanDerWaalsContact O-CG1 3.3Å; E132-I136 WeakPolarHBondContact O-CG1 3.19Å; E132-I136 PolarHBondContact O-N 3.39Å; Y134-I136 PolarHBondContact O-N 2.95Å; I136-C138 VanDerWaalsContact C-N 3.35Å; I136-C138 PolarHBondContact O-N 2.63Å; I136-N140 CarbonylContact O-C 3.57Å; I136-N140 WeakPolarHBondContact O-CA 3.22Å; I136-N140 PolarHBondContact O-N 2.84Å; I136-E143 HydrophobicContact CG2-CB 4.13Å; I136-E143 HydrophobicContact CG2-CG 3.94Å; I136-R147 VanDerWaalsContact CD1-NH1 3.3Å |
| 137 | Y | 98.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 66 Ų | 66 | 18% | 0.18 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.8 | -179 | -86.1 | 0 | 0 | 0 | 112 | P84 P123 I125 A133 Y134 T135 R141 Y144 | P84-Y137 HydrophobicContact CG-CD2 4.18Å; P84-Y137 HydrophobicContact CG-CG 4.16Å; P123-Y137 HydrophobicContact CB-CE2 4.09Å; P123-Y137 HydrophobicContact CG-CD2 4.05Å; P123-Y137 HydrophobicContact CG-CE2 3.49Å; P123-Y137 VanDerWaalsContact CG-CE2 3.49Å; I125-Y137 HydrophobicContact CG2-CD1 3.97Å; I125-Y137 HydrophobicContact CG2-CE1 3.62Å; A133-Y137 WeakPolarHBondContact O-CB 3.44Å; A133-Y137 PolarHBondContact O-N 2.82Å; Y134-Y137 WeakPolarHBondContact O-CB 3.27Å; Y134-Y137 PolarHBondContact O-N 3Å; T135-Y137 PolarHBondContact O-N 3.06Å; Y137-R141 VanDerWaalsContact CD2-NH1 3.25Å; Y137-R141 PolarHBondContact OH-NH2 3.19Å; Y137-Y144 AromaticContact CD2-CD1 3.96Å; Y137-Y144 HydrophobicContact CD2-CD1 3.96Å; Y137-Y144 AromaticContact CD2-CD2 3.94Å; Y137-Y144 HydrophobicContact CD2-CD2 3.94Å; Y137-Y144 AromaticContact CD2-CE1 3.8Å; Y137-Y144 HydrophobicContact CD2-CE1 3.8Å; Y137-Y144 AromaticContact CD2-CE2 3.82Å; Y137-Y144 HydrophobicContact CD2-CE2 3.82Å; Y137-Y144 AromaticContact CD2-CG 4Å; Y137-Y144 HydrophobicContact CD2-CG 4Å; Y137-Y144 AromaticContact CD2-CZ 3.73Å; Y137-Y144 HydrophobicContact CE2-CE1 4.23Å; Y137-Y144 HydrophobicContact CG-CD2 4.39Å; Y137-Y144 HydrophobicContact CG-CE2 4.47Å |
| 138 | C | 97.4 | Very high | 98 | Very high | 67 Ų | 67 | 64 Ų | 64 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -75.3 | -34.8 | -176.6 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | Y134 T135 I136 | Y134-C138 VanDerWaalsContact CE2-SG 3.51Å; Y134-C138 WeakPolarHBondContact O-CB 3.46Å; Y134-C138 PolarHBondContact O-N 2.88Å; Y134-C138 PolarHBondContact O-SG 3.23Å; Y134-C138 VanDerWaalsContact O-SG 3.35Å; T135-C138 PolarHBondContact O-N 3.43Å; I136-C138 VanDerWaalsContact C-N 3.35Å; I136-C138 PolarHBondContact O-N 2.63Å |
| 139 | Q | 98.1 | Very high | 98.2 | Very high | 159 Ų | 159 | 67.3 Ų | 67.3 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -99.1 | -29 | -172.9 | -63.6 | 178.7 | -8.2 | 0 | 0 | 113.7 | T135 | T135-Q139 HydrophobicContact CG2-CG 4.41Å; T135-Q139 VanDerWaalsContact O-CB 3.32Å; T135-Q139 WeakPolarHBondContact O-CB 3.32Å; T135-Q139 WeakPolarHBondContact O-CG 3.45Å; T135-Q139 PolarHBondContact O-N 3.24Å |
| 140 | N | 97.9 | Very high | 98.3 | Very high | 80 Ų | 80 | 69.7 Ų | 69.7 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | trans | -149.2 | 82.3 | -174.5 | -170 | -17.7 | 0 | 0 | 0 | 111.9 | I136 V142 E143 Y144 | I136-N140 CarbonylContact O-C 3.57Å; I136-N140 WeakPolarHBondContact O-CA 3.22Å; I136-N140 PolarHBondContact O-N 2.84Å; N140-V142 PolarHBondContact O-N 3.17Å; N140-V142 PolarHBondContact OD1-N 3.35Å; N140-E143 HydrophobicContact CB-CB 4.18Å; N140-E143 PolarHBondContact O-N 2.94Å; N140-E143 PolarHBondContact OD1-N 3.44Å; N140-Y144 PolarHBondContact O-N 3.25Å | ||
| 141 | R | 97.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 69.5 Ų | 69.5 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.3 | -32.9 | -180 | -164.5 | 61.7 | 162.5 | 135.9 | -4.4 | 113.1 | Y137 Y144 E145 | Y137-R141 VanDerWaalsContact CD2-NH1 3.25Å; Y137-R141 PolarHBondContact OH-NH2 3.19Å; R141-Y144 WeakPolarHBondContact O-CB 3.32Å; R141-Y144 PolarHBondContact O-N 2.81Å; R141-E145 WeakPolarHBondContact O-CG 3.24Å; R141-E145 PolarHBondContact O-N 2.8Å |
| 142 | V | 98.4 | Very high | 98.4 | Very high | 118 Ų | 118 | 66 Ų | 66 | 72% | 0.715 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.4 | -47.2 | 178.5 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | N140 Y144 E145 K146 | N140-V142 PolarHBondContact O-N 3.17Å; N140-V142 PolarHBondContact OD1-N 3.35Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; V142-E145 PolarHBondContact O-N 2.62Å; V142-K146 WeakPolarHBondContact O-CB 3.31Å; V142-K146 PolarHBondContact O-N 2.95Å |
| 143 | E | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 176.2 | 178 | 59.1 | -162.3 | 0 | 0 | 111.5 | I136 N140 K146 R147 | I136-E143 HydrophobicContact CG2-CB 4.13Å; I136-E143 HydrophobicContact CG2-CG 3.94Å; N140-E143 HydrophobicContact CB-CB 4.18Å; N140-E143 PolarHBondContact O-N 2.94Å; N140-E143 PolarHBondContact OD1-N 3.44Å; E143-K146 PolarHBondContact O-N 3.38Å; E143-K146 IonicContact OE2-NZ 3.77Å; E143-R147 WeakPolarHBondContact O-CG 3.11Å; E143-R147 PolarHBondContact O-N 3Å; E143-R147 IonicContact OE1-CZ 2.67Å; E143-R147 IonicContact OE1-NE 2.88Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.96Å |
| 144 | Y | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 76.7 Ų | 76.7 | 1% | 0.012 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.9 | -53.2 | 173.3 | 179.9 | -91.3 | 0 | 0 | 0 | 111.3 | F82 P84 Y137 N140 R141 V142 K146 R147 V148 | F82-Y144 HydrophobicContact CD1-CE2 4.36Å; F82-Y144 AromaticContact CE1-CD2 3.64Å; F82-Y144 HydrophobicContact CE1-CD2 3.64Å; F82-Y144 AromaticContact CE1-CE2 3.79Å; F82-Y144 HydrophobicContact CE1-CE2 3.79Å; F82-Y144 HydrophobicContact CZ-CD2 4.25Å; P84-Y144 WeakPolarHBondContact CD-OH 3.41Å; P84-Y144 HydrophobicContact CG-CE2 4.08Å; Y137-Y144 AromaticContact CD2-CD1 3.96Å; Y137-Y144 HydrophobicContact CD2-CD1 3.96Å; Y137-Y144 AromaticContact CD2-CD2 3.94Å; Y137-Y144 HydrophobicContact CD2-CD2 3.94Å; Y137-Y144 AromaticContact CD2-CE1 3.8Å; Y137-Y144 HydrophobicContact CD2-CE1 3.8Å; Y137-Y144 AromaticContact CD2-CE2 3.82Å; Y137-Y144 HydrophobicContact CD2-CE2 3.82Å; Y137-Y144 AromaticContact CD2-CG 4Å; Y137-Y144 HydrophobicContact CD2-CG 4Å; Y137-Y144 AromaticContact CD2-CZ 3.73Å; Y137-Y144 HydrophobicContact CE2-CE1 4.23Å; Y137-Y144 HydrophobicContact CG-CD2 4.39Å; Y137-Y144 HydrophobicContact CG-CE2 4.47Å; N140-Y144 PolarHBondContact O-N 3.25Å; R141-Y144 WeakPolarHBondContact O-CB 3.32Å; R141-Y144 PolarHBondContact O-N 2.81Å; V142-Y144 VanDerWaalsContact C-N 3.35Å; Y144-K146 VanDerWaalsContact C-N 3.31Å; Y144-K146 PolarHBondContact O-N 2.87Å; Y144-R147 PolarHBondContact O-N 2.9Å; Y144-V148 HydrophobicContact CD1-CG2 3.93Å; Y144-V148 HydrophobicContact CE1-CG2 3.49Å; Y144-V148 VanDerWaalsContact CE1-CG2 3.49Å; Y144-V148 HydrophobicContact CE2-CG2 4.21Å; Y144-V148 WeakPolarHBondContact O-CG2 3.19Å; Y144-V148 PolarHBondContact O-N 2.83Å |
| 145 | E | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 75 Ų | 75 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 180 | -76.3 | -166.2 | -160 | 0 | 0 | 112.4 | P52 R141 V142 R147 V148 R149 | P52-E145 HydrophobicContact CG-CB 4.47Å; P52-E145 HydrophobicContact CG-CG 3.92Å; R141-E145 WeakPolarHBondContact O-CG 3.24Å; R141-E145 PolarHBondContact O-N 2.8Å; V142-E145 PolarHBondContact O-N 2.62Å; E145-R147 VanDerWaalsContact C-N 3.34Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-V148 PolarHBondContact O-N 2.82Å; E145-R149 WeakPolarHBondContact O-CB 3.25Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.26Å; E145-R149 PolarHBondContact O-N 3.4Å; E145-R149 IonicContact OE2-CZ 3.8Å; E145-R149 IonicContact OE2-NE 3.87Å; E145-R149 IonicContact OE2-NH2 2.87Å; E145-R149 PolarHBondContact OE2-NH2 2.68Å |
| 146 | K | 98.7 | Very high | 98.2 | Very high | 136 Ų | 136 | 75.1 Ų | 75.1 | 59% | 0.591 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.1 | -46.2 | 176.2 | -179.5 | -175.2 | 170 | -165.4 | 0 | 111.4 | V142 E143 Y144 A150 | V142-K146 WeakPolarHBondContact O-CB 3.31Å; V142-K146 PolarHBondContact O-N 2.95Å; E143-K146 PolarHBondContact O-N 3.38Å; E143-K146 IonicContact OE2-NZ 3.77Å; Y144-K146 VanDerWaalsContact C-N 3.31Å; Y144-K146 PolarHBondContact O-N 2.87Å; K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 98.7 | Very high | 97.8 | Very high | 85 Ų | 85 | 77.9 Ų | 77.9 | 32% | 0.321 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.2 | -69.6 | -176.9 | -176.9 | -155.1 | 6.1 | 112.1 | F82 E132 I136 E143 Y144 E145 A150 Q151 | F82-R147 HydrophobicContact CD1-CB 4.11Å; F82-R147 HydrophobicContact CE1-CB 3.93Å; E132-R147 IonicContact OE1-CZ 3.55Å; E132-R147 IonicContact OE1-NH1 3.63Å; E132-R147 PolarHBondContact OE1-NH1 3.23Å; I136-R147 VanDerWaalsContact CD1-NH1 3.3Å; E143-R147 WeakPolarHBondContact O-CG 3.11Å; E143-R147 PolarHBondContact O-N 3Å; E143-R147 IonicContact OE1-CZ 2.67Å; E143-R147 IonicContact OE1-NE 2.88Å; E143-R147 PolarHBondContact OE1-NE 2.98Å; E143-R147 IonicContact OE1-NH2 2.96Å; Y144-R147 PolarHBondContact O-N 2.9Å; E145-R147 VanDerWaalsContact C-N 3.34Å; E145-R147 PolarHBondContact O-N 2.83Å; R147-A150 PolarHBondContact O-N 3.41Å; R147-Q151 WeakPolarHBondContact O-CB 3.21Å; R147-Q151 PolarHBondContact O-N 3.47Å |
| 148 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | P52 W53 F82 Y144 E145 A150 Q151 A152 | P52-V148 HydrophobicContact CB-CB 4.13Å; P52-V148 HydrophobicContact CB-CG1 3.66Å; W53-V148 HydrophobicContact CD2-CG1 3.41Å; W53-V148 VanDerWaalsContact CD2-CG1 3.41Å; W53-V148 HydrophobicContact CE3-CG1 3.91Å; W53-V148 HydrophobicContact CG-CG1 3.81Å; W53-V148 HydrophobicContact CH2-CG1 4.12Å; W53-V148 HydrophobicContact CH2-CG2 4.17Å; W53-V148 HydrophobicContact CZ2-CB 4.37Å; W53-V148 HydrophobicContact CZ2-CG1 3.64Å; W53-V148 HydrophobicContact CZ2-CG2 3.71Å; W53-V148 HydrophobicContact CZ3-CG1 4.25Å; F82-V148 HydrophobicContact CD1-CG2 4.48Å; Y144-V148 HydrophobicContact CD1-CG2 3.93Å; Y144-V148 HydrophobicContact CE1-CG2 3.49Å; Y144-V148 VanDerWaalsContact CE1-CG2 3.49Å; Y144-V148 HydrophobicContact CE2-CG2 4.21Å; Y144-V148 WeakPolarHBondContact O-CG2 3.19Å; Y144-V148 PolarHBondContact O-N 2.83Å; E145-V148 PolarHBondContact O-N 2.82Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.34Å; V148-Q151 CarbonylContact O-C 3.46Å; V148-Q151 WeakPolarHBondContact O-CA 3.43Å; V148-Q151 WeakPolarHBondContact O-CB 3.49Å; V148-Q151 PolarHBondContact O-N 3.05Å; V148-Q151 VanDerWaalsContact O-N 3.14Å; V148-A152 PolarHBondContact O-N 2.82Å |
| 149 | R | 98.8 | Very high | 96.5 | Very high | 132 Ų | 132 | 85.9 Ų | 85.9 | 50% | 0.498 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.5 | -69.6 | 175.9 | -160.7 | -84 | -0.2 | 111.8 | P52 E145 Q151 A152 K153 | P52-R149 HydrophobicContact CB-CG 3.96Å; E145-R149 WeakPolarHBondContact O-CB 3.25Å; E145-R149 VanDerWaalsContact O-CG 3.3Å; E145-R149 WeakPolarHBondContact O-CG 3.26Å; E145-R149 PolarHBondContact O-N 3.4Å; E145-R149 IonicContact OE2-CZ 3.8Å; E145-R149 IonicContact OE2-NE 3.87Å; E145-R149 IonicContact OE2-NH2 2.87Å; E145-R149 PolarHBondContact OE2-NH2 2.68Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; R149-A152 PolarHBondContact O-N 3.25Å; R149-K153 PolarHBondContact O-N 3.04Å |
| 150 | A | 98.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 82 Ų | 82 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K146 R147 V148 K153 K154 | K146-A150 PolarHBondContact O-N 3.19Å; K146-A150 VanDerWaalsContact O-N 3.08Å; R147-A150 PolarHBondContact O-N 3.41Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.34Å; A150-K153 PolarHBondContact O-N 3.49Å; A150-K154 WeakPolarHBondContact O-CB 3.48Å; A150-K154 PolarHBondContact O-N 3.4Å |
| 151 | Q | 98.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 82.1 Ų | 82.1 | 10% | 0.098 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175 | -179.5 | 166.2 | -97.8 | 0 | 0 | 112.3 | W53 F58 F82 R147 V148 R149 K153 K154 Y155 | W53-Q151 VanDerWaalsContact CH2-NE2 3.34Å; F58-Q151 HydrophobicContact CE1-CG 4.43Å; F82-Q151 PolarHBondContact O-NE2 3.08Å; R147-Q151 WeakPolarHBondContact O-CB 3.21Å; R147-Q151 PolarHBondContact O-N 3.47Å; V148-Q151 CarbonylContact O-C 3.46Å; V148-Q151 WeakPolarHBondContact O-CA 3.43Å; V148-Q151 WeakPolarHBondContact O-CB 3.49Å; V148-Q151 PolarHBondContact O-N 3.05Å; V148-Q151 VanDerWaalsContact O-N 3.14Å; R149-Q151 VanDerWaalsContact C-N 3.32Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; Q151-K153 PolarHBondContact O-N 3.33Å; Q151-K154 WeakPolarHBondContact O-CB 2.97Å; Q151-K154 PolarHBondContact O-N 3.34Å; Q151-Y155 HydrophobicContact CG-CD2 3.68Å; Q151-Y155 HydrophobicContact CG-CE2 3.65Å; Q151-Y155 WeakPolarHBondContact O-CD2 2.92Å; Q151-Y155 PolarHBondContact O-N 3.38Å |
| 152 | A | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 81.2 Ų | 81.2 | 2% | 0.017 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W53 G56 F58 V148 R149 K154 Y155 S156 | W53-A152 WeakPolarHBondContact O-CB 3.42Å; G56-A152 WeakPolarHBondContact CA-O 3.14Å; F58-A152 HydrophobicContact CZ-CB 4.35Å; V148-A152 PolarHBondContact O-N 2.82Å; R149-A152 PolarHBondContact O-N 3.25Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.4Å; A152-Y155 CarbonylContact O-C 3.35Å; A152-Y155 PolarHBondContact O-N 3.18Å; A152-S156 PolarHBondContact O-N 3.46Å; A152-S156 VanDerWaalsContact O-N 3.07Å |
| 153 | K | 98.2 | Very high | 96.1 | Very high | 177 Ų | 177 | 78.9 Ų | 78.9 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 174.6 | -172.7 | 177.7 | -179 | 178.8 | 0 | 112.3 | R149 A150 Q151 Y155 S156 | R149-K153 PolarHBondContact O-N 3.04Å; A150-K153 PolarHBondContact O-N 3.49Å; Q151-K153 VanDerWaalsContact C-N 3.34Å; Q151-K153 PolarHBondContact O-N 3.33Å; K153-Y155 VanDerWaalsContact C-N 3.31Å; K153-Y155 PolarHBondContact O-N 3.11Å; K153-S156 WeakPolarHBondContact O-CB 3.43Å; K153-S156 PolarHBondContact O-N 3.5Å |
| 154 | K | 98.2 | Very high | 96 | Very high | 151 Ų | 151 | 80.7 Ų | 80.7 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -37.4 | 178.4 | 179.7 | -175.4 | 177.4 | -170.1 | 0 | 112.4 | A150 Q151 A152 | A150-K154 WeakPolarHBondContact O-CB 3.48Å; A150-K154 PolarHBondContact O-N 3.4Å; Q151-K154 WeakPolarHBondContact O-CB 2.97Å; Q151-K154 PolarHBondContact O-N 3.34Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.4Å |
| 155 | Y | 97.8 | Very high | 95.8 | Very high | 47 Ų | 47 | 86.3 Ų | 86.3 | 18% | 0.184 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 21.9 | -179.3 | -60.4 | -60.6 | 0 | 0 | 0 | 112.9 | L57 F58 P79 L81 Q151 A152 K153 | L57-Y155 PolarHBondContact N-O 3.04Å; F58-Y155 HydrophobicContact CD1-CD2 4.01Å; F58-Y155 HydrophobicContact CD1-CG 4.33Å; F58-Y155 AromaticContact CE1-CD2 3.97Å; F58-Y155 HydrophobicContact CE1-CD2 3.97Å; F58-Y155 HydrophobicContact CE1-CG 4.43Å; P79-Y155 HydrophobicContact CG-CE1 3.73Å; P79-Y155 VanDerWaalsContact CG-OH 3.28Å; P79-Y155 WeakPolarHBondContact CG-OH 3.19Å; L81-Y155 HydrophobicContact CD2-CD2 4.13Å; L81-Y155 HydrophobicContact CD2-CE2 3.82Å; Q151-Y155 HydrophobicContact CG-CD2 3.68Å; Q151-Y155 HydrophobicContact CG-CE2 3.65Å; Q151-Y155 WeakPolarHBondContact O-CD2 2.92Å; Q151-Y155 PolarHBondContact O-N 3.38Å; A152-Y155 CarbonylContact O-C 3.35Å; A152-Y155 PolarHBondContact O-N 3.18Å; K153-Y155 VanDerWaalsContact C-N 3.31Å; K153-Y155 PolarHBondContact O-N 3.11Å |
| 156 | S | 95.6 | Very high | 95.6 | Very high | 58 Ų | 58 | 88.2 Ų | 88.2 | 41% | 0.406 | 46% | 0.457 | S | S | . | . | trans | -69.9 | 134.1 | 174.1 | -161.1 | 0 | 0 | 0 | 0 | 109.8 | G55 A152 K153 S158 | G55-S156 WeakPolarHBondContact O-CA 3.32Å; G55-S156 WeakPolarHBondContact O-CB 3.3Å; G55-S156 PolarHBondContact O-OG 2.86Å; A152-S156 PolarHBondContact O-N 3.46Å; A152-S156 VanDerWaalsContact O-N 3.07Å; K153-S156 WeakPolarHBondContact O-CB 3.43Å; K153-S156 PolarHBondContact O-N 3.5Å; S156-S158 PolarHBondContact O-N 2.85Å | ||
| 157 | P | 89.9 | Confident | 95.3 | Very high | 83 Ų | 83 | 84.3 Ų | 84.3 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | trans | -61.9 | 133.5 | 174.3 | 25.8 | -31.1 | 0 | 0 | 0 | 109.6 | G55 L57 | G55-P157 WeakPolarHBondContact O-CD 3.4Å; L57-P157 HydrophobicContact CB-CG 4.38Å; L57-P157 HydrophobicContact CD2-CB 4.36Å | ||
| 158 | S | 72.2 | Confident | 95 | Very high | 194 Ų | 194 | 84.2 Ų | 84.2 | 100% | 1.357 | 46% | 0.457 | S | S | * | . | trans | -68.9 | 0 | 178.3 | -47.9 | 0 | 0 | 0 | 0 | 112.4 | S156 | S156-S158 PolarHBondContact O-N 2.85Š|
Retrieved 158 of 158 residues in 53.4 ms
(Link to these results)