| 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 | 70.2 | Confident | 85.1 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | 0 | 135.7 | 0 | 174.6 | -174.9 | -71 | 0 | 0 | 107.8 | F3 A9 H12 I13 W308 K309 Y310 | M1-F3 HydrophobicContact CB-CE1 4.41Å; M1-F3 HydrophobicContact CG-CD1 4.22Å; M1-F3 HydrophobicContact CG-CE1 4.07Å; M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 HydrophobicContact SD-CD1 4.06Å; M1-F3 HydrophobicContact SD-CE1 3.55Å; M1-F3 VanDerWaalsContact SD-CE1 3.55Å; M1-A9 HydrophobicContact CG-CB 4.06Å; M1-A9 HydrophobicContact SD-CB 3.81Å; M1-H12 HydrophobicContact CE-CB 4.24Å; M1-H12 WeakPolarHBondContact CE-CD2 3.17Å; M1-I13 HydrophobicContact CE-CD1 4.44Å; M1-I13 HydrophobicContact CE-CG1 3.85Å; M1-I13 HydrophobicContact SD-CD1 4.07Å; M1-I13 HydrophobicContact SD-CG1 4.03Å; M1-W308 HydrophobicContact CE-CD2 3.81Å; M1-W308 HydrophobicContact CE-CE3 3.54Å; M1-W308 HydrophobicContact CE-CG 4.33Å; M1-W308 HydrophobicContact CE-CH2 4.4Å; M1-W308 HydrophobicContact CE-CZ3 3.86Å; M1-K309 PolarHBondContact N-O 3.18Å; M1-Y310 PolarHBondContact N-OXT 3.26Å | |||
| 2 | D | 80.9 | Confident | 85.6 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 42% | 0.417 | 35% | 0.348 | S | S | . | . | trans | -89.5 | 95.1 | -176 | -172.8 | 12.7 | 0 | 0 | 0 | 113.2 | K4 K5 | D2-K4 PolarHBondContact O-N 3.41Å; D2-K4 WeakPolarHBondContact OD1-CB 3.25Å; D2-K4 VanDerWaalsContact OD1-CG 3.31Å; D2-K4 WeakPolarHBondContact OD1-CG 3.16Å; D2-K4 PolarHBondContact OD1-N 3.28Å; D2-K5 PolarHBondContact O-N 2.81Å | ||
| 3 | F | 83.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5.9 | 174.7 | -52.4 | -42.2 | 0 | 0 | 0 | 114.2 | M1 K5 G6 A9 I34 T38 V41 Y310 | M1-F3 HydrophobicContact CB-CE1 4.41Å; M1-F3 HydrophobicContact CG-CD1 4.22Å; M1-F3 HydrophobicContact CG-CE1 4.07Å; M1-F3 PolarHBondContact O-N 3.09Å; M1-F3 HydrophobicContact SD-CD1 4.06Å; M1-F3 HydrophobicContact SD-CE1 3.55Å; M1-F3 VanDerWaalsContact SD-CE1 3.55Å; F3-K5 PolarHBondContact O-N 2.65Å; F3-G6 PolarHBondContact O-N 3.03Å; F3-A9 HydrophobicContact CD1-CB 3.83Å; F3-I34 HydrophobicContact CB-CG2 3.56Å; F3-I34 HydrophobicContact CD1-CD1 4.19Å; F3-I34 HydrophobicContact CD1-CG2 3.76Å; F3-I34 HydrophobicContact CE1-CD1 4.33Å; F3-I34 HydrophobicContact CG-CG2 3.83Å; F3-T38 HydrophobicContact CD2-CG2 3.44Å; F3-T38 VanDerWaalsContact CD2-CG2 3.44Å; F3-T38 HydrophobicContact CE2-CG2 3.71Å; F3-T38 HydrophobicContact CG-CG2 4.04Å; F3-T38 HydrophobicContact CZ-CG2 4.45Å; F3-V41 HydrophobicContact CZ-CG2 4.27Å; F3-Y310 HydrophobicContact CB-CE1 4.28Å; F3-Y310 HydrophobicContact CB-CE2 4.47Å; F3-Y310 WeakPolarHBondContact CB-OH 3.47Å; F3-Y310 AromaticContact CD2-CD2 3.94Å; F3-Y310 HydrophobicContact CD2-CD2 3.94Å; F3-Y310 HydrophobicContact CD2-CE1 4.28Å; F3-Y310 AromaticContact CD2-CE2 3.26Å; F3-Y310 HydrophobicContact CD2-CE2 3.26Å; F3-Y310 AromaticContact CD2-CZ 3.51Å; F3-Y310 HydrophobicContact CE2-CD2 4.06Å; F3-Y310 AromaticContact CE2-CE2 3.8Å; F3-Y310 HydrophobicContact CE2-CE2 3.8Å; F3-Y310 HydrophobicContact CG-CE2 4.22Å |
| 4 | K | 83.1 | Confident | 86.2 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -31.8 | 167.2 | -65.2 | 177.7 | 177.2 | -179.9 | 0 | 110.4 | D2 G6 | D2-K4 PolarHBondContact O-N 3.41Å; D2-K4 WeakPolarHBondContact OD1-CB 3.25Å; D2-K4 VanDerWaalsContact OD1-CG 3.31Å; D2-K4 WeakPolarHBondContact OD1-CG 3.16Å; D2-K4 PolarHBondContact OD1-N 3.28Å; K4-G6 PolarHBondContact O-N 2.81Å |
| 5 | K | 86.9 | Confident | 86.6 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -92 | 65.6 | 171.3 | -57.3 | -162.8 | 178.5 | -167.8 | 0 | 111.4 | D2 F3 L7 E8 A9 | D2-K5 PolarHBondContact O-N 2.81Å; F3-K5 PolarHBondContact O-N 2.65Å; K5-L7 VanDerWaalsContact C-N 3.29Å; K5-L7 PolarHBondContact O-N 2.65Å; K5-L7 VanDerWaalsContact O-N 3.13Å; K5-E8 HydrophobicContact CB-CB 4.05Å; K5-E8 HydrophobicContact CB-CG 4.37Å; K5-E8 HydrophobicContact CD-CG 4.28Å; K5-E8 VanDerWaalsContact CD-OE1 3.29Å; K5-E8 WeakPolarHBondContact CD-OE1 3.18Å; K5-E8 WeakPolarHBondContact CD-OE2 3.16Å; K5-E8 IonicContact NZ-OE1 2.83Å; K5-E8 PolarHBondContact NZ-OE1 3.49Å; K5-E8 IonicContact NZ-OE2 2.81Å; K5-E8 PolarHBondContact NZ-OE2 2.95Å; K5-E8 PolarHBondContact O-N 3.3Å; K5-A9 PolarHBondContact O-N 2.89Å |
| 6 | G | 86.5 | Confident | 86.7 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -48.5 | -44.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F3 K4 C10 | F3-G6 PolarHBondContact O-N 3.03Å; K4-G6 PolarHBondContact O-N 2.81Å; G6-C10 WeakPolarHBondContact O-CB 3.36Å; G6-C10 PolarHBondContact O-N 2.84Å |
| 7 | L | 87.1 | Confident | 86.6 | Confident | 124 Ų | 124 | 59.7 Ų | 59.7 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.7 | -44.8 | 177.9 | -69 | 171.3 | 0 | 0 | 0 | 113.4 | K5 C10 K11 Q31 | K5-L7 VanDerWaalsContact C-N 3.29Å; K5-L7 PolarHBondContact O-N 2.65Å; K5-L7 VanDerWaalsContact O-N 3.13Å; L7-C10 PolarHBondContact O-N 3.05Å; L7-K11 WeakPolarHBondContact O-CB 3.4Å; L7-K11 PolarHBondContact O-N 3.41Å; L7-Q31 HydrophobicContact CD2-CB 4.28Å |
| 8 | E | 89.9 | Confident | 86.9 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 177.4 | -70.4 | -178.3 | -152.6 | 0 | 0 | 110.9 | K5 H12 | K5-E8 HydrophobicContact CB-CB 4.05Å; K5-E8 HydrophobicContact CB-CG 4.37Å; K5-E8 HydrophobicContact CD-CG 4.28Å; K5-E8 VanDerWaalsContact CD-OE1 3.29Å; K5-E8 WeakPolarHBondContact CD-OE1 3.18Å; K5-E8 WeakPolarHBondContact CD-OE2 3.16Å; K5-E8 IonicContact NZ-OE1 2.83Å; K5-E8 PolarHBondContact NZ-OE1 3.49Å; K5-E8 IonicContact NZ-OE2 2.81Å; K5-E8 PolarHBondContact NZ-OE2 2.95Å; K5-E8 PolarHBondContact O-N 3.3Å; E8-H12 WeakPolarHBondContact O-CB 3.33Å; E8-H12 PolarHBondContact O-N 3.35Å |
| 9 | A | 88.8 | Confident | 87 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 F3 K5 H12 I13 I34 | M1-A9 HydrophobicContact CG-CB 4.06Å; M1-A9 HydrophobicContact SD-CB 3.81Å; F3-A9 HydrophobicContact CD1-CB 3.83Å; K5-A9 PolarHBondContact O-N 2.89Å; A9-H12 PolarHBondContact O-N 3.42Å; A9-I13 PolarHBondContact O-N 3.42Å; A9-I34 HydrophobicContact CB-CD1 3.99Å; A9-I34 HydrophobicContact CB-CG2 4.4Å |
| 10 | C | 88.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.7 | -49 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | G6 L7 H12 I13 N14 I29 P30 I34 | G6-C10 WeakPolarHBondContact O-CB 3.36Å; G6-C10 PolarHBondContact O-N 2.84Å; L7-C10 PolarHBondContact O-N 3.05Å; C10-H12 PolarHBondContact O-N 2.85Å; C10-I13 PolarHBondContact O-N 3Å; C10-N14 PolarHBondContact O-N 2.83Å; C10-I29 HydrophobicContact CB-CD1 4.2Å; C10-P30 PolarHBondContact SG-O 3.43Å; C10-I34 HydrophobicContact CB-CD1 4.17Å; C10-I34 HydrophobicContact CB-CG1 4.41Å |
| 11 | K | 90.9 | Very high | 86.5 | Confident | 133 Ų | 133 | 65.1 Ų | 65.1 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -56.4 | -47.9 | 173.2 | -174.9 | -178.3 | 176.1 | -174.7 | 0 | 111.6 | L7 I13 N14 D15 | L7-K11 WeakPolarHBondContact O-CB 3.4Å; L7-K11 PolarHBondContact O-N 3.41Å; K11-I13 VanDerWaalsContact C-N 3.3Å; K11-I13 PolarHBondContact O-N 2.82Å; K11-N14 PolarHBondContact O-N 2.79Å; K11-N14 VanDerWaalsContact O-N 3.15Å; K11-D15 VanDerWaalsContact CE-OD2 3.25Å; K11-D15 WeakPolarHBondContact CE-OD2 3.19Å; K11-D15 WeakPolarHBondContact O-CB 3.31Å; K11-D15 VanDerWaalsContact O-CG 3.24Å; K11-D15 PolarHBondContact O-N 3.29Å |
| 12 | H | 91 | Very high | 87.2 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.3 | -41.1 | -179.9 | -171 | 100.4 | 0 | 0 | 0 | 112.6 | M1 E8 A9 C10 W16 W308 | M1-H12 HydrophobicContact CE-CB 4.24Å; M1-H12 WeakPolarHBondContact CE-CD2 3.17Å; E8-H12 WeakPolarHBondContact O-CB 3.33Å; E8-H12 PolarHBondContact O-N 3.35Å; A9-H12 PolarHBondContact O-N 3.42Å; C10-H12 PolarHBondContact O-N 2.85Å; H12-W16 WeakPolarHBondContact O-CB 3.47Å; H12-W16 PolarHBondContact O-N 3.19Å; H12-W16 VanDerWaalsContact O-N 3.07Å; H12-W308 AromaticContact NE2-CH2 3.85Å |
| 13 | I | 87.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 175.9 | -71.2 | 178.4 | 0 | 0 | 0 | 110.8 | M1 A9 C10 K11 W16 V17 I29 I34 I43 | M1-I13 HydrophobicContact CE-CD1 4.44Å; M1-I13 HydrophobicContact CE-CG1 3.85Å; M1-I13 HydrophobicContact SD-CD1 4.07Å; M1-I13 HydrophobicContact SD-CG1 4.03Å; A9-I13 PolarHBondContact O-N 3.42Å; C10-I13 PolarHBondContact O-N 3Å; K11-I13 VanDerWaalsContact C-N 3.3Å; K11-I13 PolarHBondContact O-N 2.82Å; I13-W16 PolarHBondContact O-N 3.33Å; I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.45Å; I13-I29 HydrophobicContact CB-CD1 3.86Å; I13-I29 HydrophobicContact CB-CG1 4.44Å; I13-I29 HydrophobicContact CD1-CD1 4.03Å; I13-I29 HydrophobicContact CG2-CD1 3.76Å; I13-I29 HydrophobicContact CG2-CG1 4.03Å; I13-I34 HydrophobicContact CD1-CD1 3.99Å; I13-I43 HydrophobicContact CG2-CD1 3.87Å; I13-I43 HydrophobicContact CG2-CG2 4.27Å |
| 14 | N | 91.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -48.4 | -179.9 | -74.9 | -19 | 0 | 0 | 0 | 112.2 | C10 K11 W16 V17 E18 L28 I29 | C10-N14 PolarHBondContact O-N 2.83Å; K11-N14 PolarHBondContact O-N 2.79Å; K11-N14 VanDerWaalsContact O-N 3.15Å; N14-W16 VanDerWaalsContact C-N 3.27Å; N14-W16 PolarHBondContact O-N 2.86Å; N14-V17 PolarHBondContact O-N 2.78Å; N14-E18 WeakPolarHBondContact O-CB 3.06Å; N14-E18 PolarHBondContact O-N 3.23Å; N14-L28 PolarHBondContact OD1-N 3.27Å; N14-I29 PolarHBondContact ND2-O 2.93Å; N14-I29 VanDerWaalsContact OD1-CG1 3.26Å; N14-I29 WeakPolarHBondContact OD1-CG1 3.29Å; N14-I29 PolarHBondContact OD1-N 3.2Å |
| 15 | D | 92 | Very high | 87.2 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 43% | 0.428 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 175.3 | -69.2 | -3.8 | 0 | 0 | 0 | 111.1 | K11 K19 | K11-D15 VanDerWaalsContact CE-OD2 3.25Å; K11-D15 WeakPolarHBondContact CE-OD2 3.19Å; K11-D15 WeakPolarHBondContact O-CB 3.31Å; K11-D15 VanDerWaalsContact O-CG 3.24Å; K11-D15 PolarHBondContact O-N 3.29Å; D15-K19 WeakPolarHBondContact O-CB 3.4Å; D15-K19 PolarHBondContact O-N 2.79Å |
| 16 | W | 88.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 19% | 0.189 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 179 | 175.3 | 101.5 | 0 | 0 | 0 | 111.8 | H12 I13 N14 K20 I43 F306 W308 | H12-W16 WeakPolarHBondContact O-CB 3.47Å; H12-W16 PolarHBondContact O-N 3.19Å; H12-W16 VanDerWaalsContact O-N 3.07Å; I13-W16 PolarHBondContact O-N 3.33Å; N14-W16 VanDerWaalsContact C-N 3.27Å; N14-W16 PolarHBondContact O-N 2.86Å; W16-K20 HydrophobicContact CD2-CG 4.26Å; W16-K20 HydrophobicContact CH2-CB 4.28Å; W16-K20 HydrophobicContact CH2-CG 3.67Å; W16-K20 HydrophobicContact CZ2-CD 4.21Å; W16-K20 HydrophobicContact CZ2-CG 3.48Å; W16-K20 VanDerWaalsContact CZ2-CG 3.48Å; W16-K20 HydrophobicContact CZ3-CG 4.28Å; W16-K20 WeakPolarHBondContact O-CG 3.46Å; W16-K20 PolarHBondContact O-N 3.06Å; W16-I43 HydrophobicContact CE3-CD1 4.49Å; W16-I43 HydrophobicContact CZ3-CD1 4.27Å; W16-F306 HydrophobicContact CH2-CB 4.26Å; W16-F306 HydrophobicContact CH2-CD1 4.15Å; W16-F306 AromaticContact CH2-CD2 3.02Å; W16-F306 HydrophobicContact CH2-CD2 3.02Å; W16-F306 HydrophobicContact CH2-CE1 4.32Å; W16-F306 AromaticContact CH2-CE2 3.2Å; W16-F306 HydrophobicContact CH2-CE2 3.2Å; W16-F306 AromaticContact CH2-CG 3.53Å; W16-F306 HydrophobicContact CH2-CG 3.53Å; W16-F306 AromaticContact CH2-CZ 3.9Å; W16-F306 HydrophobicContact CH2-CZ 3.9Å; W16-F306 HydrophobicContact CZ2-CB 4.47Å; W16-F306 AromaticContact CZ2-CD1 3.65Å; W16-F306 HydrophobicContact CZ2-CD1 3.65Å; W16-F306 AromaticContact CZ2-CD2 3.39Å; W16-F306 HydrophobicContact CZ2-CD2 3.39Å; W16-F306 AromaticContact CZ2-CE1 3.64Å; W16-F306 HydrophobicContact CZ2-CE1 3.64Å; W16-F306 AromaticContact CZ2-CE2 3.32Å; W16-F306 HydrophobicContact CZ2-CE2 3.32Å; W16-F306 AromaticContact CZ2-CG 3.54Å; W16-F306 HydrophobicContact CZ2-CG 3.54Å; W16-F306 AromaticContact CZ2-CZ 3.48Å; W16-F306 HydrophobicContact CZ2-CZ 3.48Å; W16-F306 VanDerWaalsContact CZ2-CZ 3.48Å; W16-F306 AromaticContact CZ3-CD2 3.98Å; W16-F306 HydrophobicContact CZ3-CD2 3.98Å; W16-F306 HydrophobicContact CZ3-CE2 4.45Å; W16-F306 HydrophobicContact CZ3-CG 4.35Å; W16-W308 AromaticContact CD1-CH2 3.97Å; W16-W308 AromaticContact CD1-CZ2 3.78Å; W16-W308 AromaticContact CD2-CZ2 3.75Å; W16-W308 HydrophobicContact CD2-CZ2 3.75Å; W16-W308 AromaticContact CE2-CZ2 3.95Å; W16-W308 HydrophobicContact CE3-CZ2 4.29Å; W16-W308 HydrophobicContact CG-CH2 4.32Å; W16-W308 AromaticContact CG-CZ2 3.78Å; W16-W308 HydrophobicContact CG-CZ2 3.78Å; W16-W308 AromaticContact NE1-CZ2 3.83Å |
| 17 | V | 86 | Confident | 87.2 | Confident | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | I13 N14 K19 K20 T21 I25 L28 I43 A45 | I13-V17 HydrophobicContact CG2-CG2 4.34Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.36Å; I13-V17 PolarHBondContact O-N 3.45Å; N14-V17 PolarHBondContact O-N 2.78Å; V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 2.71Å; V17-K20 PolarHBondContact O-N 3.47Å; V17-K20 VanDerWaalsContact O-N 3.15Å; V17-T21 HydrophobicContact CG1-CG2 4.23Å; V17-T21 WeakPolarHBondContact O-CB 3.22Å; V17-T21 WeakPolarHBondContact O-CG2 3.38Å; V17-T21 PolarHBondContact O-N 2.83Å; V17-T21 PolarHBondContact O-OG1 3.28Å; V17-I25 HydrophobicContact CG1-CB 4.12Å; V17-I25 HydrophobicContact CG1-CG2 3.8Å; V17-L28 HydrophobicContact CB-CB 4.43Å; V17-L28 HydrophobicContact CG1-CB 4.15Å; V17-L28 HydrophobicContact CG1-CD2 4.33Å; V17-L28 HydrophobicContact CG2-CB 4.15Å; V17-L28 HydrophobicContact CG2-CD2 3.5Å; V17-L28 HydrophobicContact CG2-CG 4.43Å; V17-I43 HydrophobicContact CG2-CD1 4.4Å; V17-A45 HydrophobicContact CG1-CB 3.45Å; V17-A45 VanDerWaalsContact CG1-CB 3.45Å; V17-A45 HydrophobicContact CG2-CB 4.42Å |
| 18 | E | 90.5 | Very high | 87.1 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 179.8 | -172.9 | 176.7 | 177.4 | 0 | 0 | 110.4 | N14 K20 T21 K22 G23 I25 K26 | N14-E18 WeakPolarHBondContact O-CB 3.06Å; N14-E18 PolarHBondContact O-N 3.23Å; E18-K20 PolarHBondContact O-N 3.32Å; E18-T21 CarbonylContact O-C 3.48Å; E18-T21 PolarHBondContact O-N 3.34Å; E18-T21 PolarHBondContact O-OG1 3.41Å; E18-K22 PolarHBondContact O-N 3.4Å; E18-K22 VanDerWaalsContact O-N 3.08Å; E18-G23 PolarHBondContact O-N 3.1Å; E18-I25 VanDerWaalsContact CA-O 3.31Å; E18-I25 WeakPolarHBondContact CA-O 3.2Å; E18-K26 HydrophobicContact CG-CG 4.16Å; E18-K26 WeakPolarHBondContact OE1-CE 3.45Å; E18-K26 IonicContact OE1-NZ 2.83Å; E18-K26 PolarHBondContact OE1-NZ 3.26Å |
| 19 | K | 90 | Very high | 86.8 | Confident | 175 Ų | 175 | 57.1 Ų | 57.1 | 76% | 0.761 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.1 | -42.4 | 175.1 | -175.4 | 172.5 | -175.8 | 171.3 | 0 | 112.7 | D15 V17 | D15-K19 WeakPolarHBondContact O-CB 3.4Å; D15-K19 PolarHBondContact O-N 2.79Å; V17-K19 VanDerWaalsContact C-N 3.31Å; V17-K19 PolarHBondContact O-N 2.71Å |
| 20 | K | 84.3 | Confident | 86.7 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.3 | -28.8 | 179.1 | -69 | -58.7 | -176.2 | -178.2 | 0 | 113.4 | W16 V17 E18 | W16-K20 HydrophobicContact CD2-CG 4.26Å; W16-K20 HydrophobicContact CH2-CB 4.28Å; W16-K20 HydrophobicContact CH2-CG 3.67Å; W16-K20 HydrophobicContact CZ2-CD 4.21Å; W16-K20 HydrophobicContact CZ2-CG 3.48Å; W16-K20 VanDerWaalsContact CZ2-CG 3.48Å; W16-K20 HydrophobicContact CZ3-CG 4.28Å; W16-K20 WeakPolarHBondContact O-CG 3.46Å; W16-K20 PolarHBondContact O-N 3.06Å; V17-K20 PolarHBondContact O-N 3.47Å; V17-K20 VanDerWaalsContact O-N 3.15Å; E18-K20 PolarHBondContact O-N 3.32Å |
| 21 | T | 79 | Confident | 86.5 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 14 | 179.2 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | V17 E18 G23 K24 I25 A45 | V17-T21 HydrophobicContact CG1-CG2 4.23Å; V17-T21 WeakPolarHBondContact O-CB 3.22Å; V17-T21 WeakPolarHBondContact O-CG2 3.38Å; V17-T21 PolarHBondContact O-N 2.83Å; V17-T21 PolarHBondContact O-OG1 3.28Å; E18-T21 CarbonylContact O-C 3.48Å; E18-T21 PolarHBondContact O-N 3.34Å; E18-T21 PolarHBondContact O-OG1 3.41Å; T21-G23 VanDerWaalsContact C-N 3.26Å; T21-G23 PolarHBondContact O-N 2.99Å; T21-K24 VanDerWaalsContact O-CB 3.28Å; T21-K24 WeakPolarHBondContact O-CB 3.42Å; T21-K24 WeakPolarHBondContact O-CG 3.28Å; T21-K24 PolarHBondContact O-N 3.48Å; T21-I25 HydrophobicContact CG2-CB 3.98Å; T21-I25 HydrophobicContact CG2-CD1 4.1Å; T21-I25 HydrophobicContact CG2-CG1 4.15Å; T21-I25 PolarHBondContact OG1-N 3.15Å; T21-I25 VanDerWaalsContact OG1-N 3.1Å; T21-I25 PolarHBondContact OG1-O 3.43Å; T21-A45 HydrophobicContact CG2-CB 4.18Å |
| 22 | K | 84.5 | Confident | 86.2 | Confident | 178 Ų | 178 | 64.7 Ų | 64.7 | 77% | 0.774 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 39.3 | 178.2 | -56.7 | 178.4 | 179.7 | 176.1 | 0 | 113 | E18 K24 | E18-K22 PolarHBondContact O-N 3.4Å; E18-K22 VanDerWaalsContact O-N 3.08Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 2.88Å |
| 23 | G | 85.7 | Confident | 85.8 | Confident | 29 Ų | 29 | 60.8 Ų | 60.8 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | E18 T21 K26 | E18-G23 PolarHBondContact O-N 3.1Å; T21-G23 VanDerWaalsContact C-N 3.26Å; T21-G23 PolarHBondContact O-N 2.99Å; G23-K26 WeakPolarHBondContact O-CE 3.15Å |
| 24 | K | 82 | Confident | 85.7 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -85.3 | -27.6 | -172.3 | -62.1 | -77.6 | -179.2 | 162.4 | 0 | 114 | T21 K22 Y47 F196 E205 | T21-K24 VanDerWaalsContact O-CB 3.28Å; T21-K24 WeakPolarHBondContact O-CB 3.42Å; T21-K24 WeakPolarHBondContact O-CG 3.28Å; T21-K24 PolarHBondContact O-N 3.48Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 2.88Å; K24-Y47 HydrophobicContact CB-CD1 4.39Å; K24-Y47 HydrophobicContact CB-CD2 3.92Å; K24-Y47 HydrophobicContact CB-CE2 4.1Å; K24-Y47 HydrophobicContact CB-CG 4.07Å; K24-Y47 HydrophobicContact CD-CE2 4.03Å; K24-Y47 HydrophobicContact CG-CD1 4.25Å; K24-Y47 HydrophobicContact CG-CD2 4.12Å; K24-Y47 HydrophobicContact CG-CE1 3.92Å; K24-Y47 HydrophobicContact CG-CE2 3.8Å; K24-Y47 HydrophobicContact CG-CG 4.32Å; K24-F196 HydrophobicContact CD-CE1 4.37Å; K24-F196 HydrophobicContact CD-CZ 4.12Å; K24-F196 WeakPolarHBondContact O-CD2 3.33Å; K24-E205 WeakPolarHBondContact CE-OE2 3.3Å; K24-E205 IonicContact NZ-OE1 3.62Å; K24-E205 PolarHBondContact NZ-OE1 2.82Å; K24-E205 IonicContact NZ-OE2 2.63Å; K24-E205 PolarHBondContact NZ-OE2 3.23Å |
| 25 | I | 80.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -116.2 | 110.7 | 171.7 | -60.5 | -176.4 | 0 | 0 | 0 | 108.2 | V17 E18 T21 A45 I46 K194 F196 | V17-I25 HydrophobicContact CG1-CB 4.12Å; V17-I25 HydrophobicContact CG1-CG2 3.8Å; E18-I25 VanDerWaalsContact CA-O 3.31Å; E18-I25 WeakPolarHBondContact CA-O 3.2Å; T21-I25 HydrophobicContact CG2-CB 3.98Å; T21-I25 HydrophobicContact CG2-CD1 4.1Å; T21-I25 HydrophobicContact CG2-CG1 4.15Å; T21-I25 PolarHBondContact OG1-N 3.15Å; T21-I25 VanDerWaalsContact OG1-N 3.1Å; T21-I25 PolarHBondContact OG1-O 3.43Å; I25-A45 HydrophobicContact CD1-CB 4.02Å; I25-A45 HydrophobicContact CG2-CB 4.29Å; I25-I46 WeakPolarHBondContact CD1-O 3.38Å; I25-K194 HydrophobicContact CG2-CB 4.18Å; I25-K194 HydrophobicContact CG2-CD 3.75Å; I25-K194 HydrophobicContact CG2-CG 3.92Å; I25-F196 HydrophobicContact CD1-CB 4.22Å; I25-F196 HydrophobicContact CG1-CB 4.03Å |
| 26 | K | 86.1 | Confident | 85 | Confident | 102 Ų | 102 | 67.2 Ų | 67.2 | 44% | 0.443 | 33% | 0.329 | S | S | . | . | trans | -108.5 | 157.7 | 173.4 | -52.5 | -169 | -177.4 | -125.9 | 0 | 109.6 | E18 G23 L28 K194 | E18-K26 HydrophobicContact CG-CG 4.16Å; E18-K26 WeakPolarHBondContact OE1-CE 3.45Å; E18-K26 IonicContact OE1-NZ 2.83Å; E18-K26 PolarHBondContact OE1-NZ 3.26Å; G23-K26 WeakPolarHBondContact O-CE 3.15Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-L28 PolarHBondContact O-N 3.14Å; K26-K194 PolarHBondContact O-NZ 3.38Å | ||
| 27 | D | 86.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 70.7 Ų | 70.7 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | trans | 45.2 | 56.1 | 174 | -56.7 | -61 | 0 | 0 | 0 | 112.3 | I29 | D27-I29 PolarHBondContact O-N 3.37Š| ||
| 28 | L | 84.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | trans | -59.7 | -40.1 | 179.6 | 172.9 | 64.6 | 0 | 0 | 0 | 111.3 | N14 V17 K26 I43 A45 K194 | N14-L28 PolarHBondContact OD1-N 3.27Å; V17-L28 HydrophobicContact CB-CB 4.43Å; V17-L28 HydrophobicContact CG1-CB 4.15Å; V17-L28 HydrophobicContact CG1-CD2 4.33Å; V17-L28 HydrophobicContact CG2-CB 4.15Å; V17-L28 HydrophobicContact CG2-CD2 3.5Å; V17-L28 HydrophobicContact CG2-CG 4.43Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-L28 PolarHBondContact O-N 3.14Å; L28-I43 HydrophobicContact CD2-CB 3.74Å; L28-I43 HydrophobicContact CD2-CD1 4.47Å; L28-I43 HydrophobicContact CD2-CG2 3.94Å; L28-A45 HydrophobicContact CD1-CB 4.43Å; L28-A45 HydrophobicContact CD2-CB 4.2Å; L28-K194 HydrophobicContact CD1-CB 3.26Å; L28-K194 HydrophobicContact CD1-CD 4.3Å; L28-K194 HydrophobicContact CD1-CG 4.38Å | ||
| 29 | I | 84.8 | Confident | 84.5 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -117.9 | 133.9 | 179.7 | 56.5 | 164.6 | 0 | 0 | 0 | 109.9 | C10 I13 N14 D27 A33 I34 I43 F192 | C10-I29 HydrophobicContact CB-CD1 4.2Å; I13-I29 HydrophobicContact CB-CD1 3.86Å; I13-I29 HydrophobicContact CB-CG1 4.44Å; I13-I29 HydrophobicContact CD1-CD1 4.03Å; I13-I29 HydrophobicContact CG2-CD1 3.76Å; I13-I29 HydrophobicContact CG2-CG1 4.03Å; N14-I29 PolarHBondContact ND2-O 2.93Å; N14-I29 VanDerWaalsContact OD1-CG1 3.26Å; N14-I29 WeakPolarHBondContact OD1-CG1 3.29Å; N14-I29 PolarHBondContact OD1-N 3.2Å; D27-I29 PolarHBondContact O-N 3.37Å; I29-A33 HydrophobicContact CB-CB 4.34Å; I29-I34 HydrophobicContact CD1-CD1 3.69Å; I29-I34 HydrophobicContact CD1-CG1 4.03Å; I29-I43 HydrophobicContact CG2-CG2 4.21Å; I29-F192 HydrophobicContact CB-CD2 4.36Å; I29-F192 HydrophobicContact CB-CE2 4.38Å; I29-F192 HydrophobicContact CG2-CB 3.94Å; I29-F192 HydrophobicContact CG2-CD1 4.15Å; I29-F192 HydrophobicContact CG2-CD2 3.33Å; I29-F192 HydrophobicContact CG2-CE2 3.79Å; I29-F192 HydrophobicContact CG2-CG 3.54Å; I29-F192 HydrophobicContact CG2-CZ 4.41Å |
| 30 | P | 85.6 | Confident | 84.4 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | trans | -56.2 | 149.1 | 172.8 | -28.4 | 35.9 | 0 | 0 | 0 | 112.8 | C10 D32 A33 | C10-P30 PolarHBondContact SG-O 3.43Å; P30-D32 VanDerWaalsContact CB-OD1 3.24Å; P30-D32 WeakPolarHBondContact CB-OD1 3.37Å; P30-D32 PolarHBondContact O-N 3.37Å; P30-D32 VanDerWaalsContact O-N 3.12Å; P30-A33 HydrophobicContact CB-CB 4.3Å; P30-A33 WeakPolarHBondContact O-CB 3.28Å; P30-A33 PolarHBondContact O-N 3.48Å | ||
| 31 | Q | 84.4 | Confident | 84.4 | Confident | 140 Ų | 140 | 58 Ų | 58 | 65% | 0.654 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.7 | -177.5 | -67.1 | -174.8 | -4.2 | 0 | 0 | 113.5 | L7 | L7-Q31 HydrophobicContact CD2-CB 4.28Š|
| 32 | D | 84.4 | Confident | 84.7 | Confident | 121 Ų | 121 | 58.9 Ų | 58.9 | 65% | 0.647 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.2 | 178.7 | 70.3 | -40.9 | 0 | 0 | 0 | 114.4 | P30 I34 | P30-D32 VanDerWaalsContact CB-OD1 3.24Å; P30-D32 WeakPolarHBondContact CB-OD1 3.37Å; P30-D32 PolarHBondContact O-N 3.37Å; P30-D32 VanDerWaalsContact O-N 3.12Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 2.79Å |
| 33 | A | 83.5 | Confident | 84.5 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.3 | -30.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I29 P30 F192 | I29-A33 HydrophobicContact CB-CB 4.34Å; P30-A33 HydrophobicContact CB-CB 4.3Å; P30-A33 WeakPolarHBondContact O-CB 3.28Å; P30-A33 PolarHBondContact O-N 3.48Å; A33-F192 HydrophobicContact CB-CE1 4.46Å; A33-F192 HydrophobicContact CB-CE2 4.07Å; A33-F192 HydrophobicContact CB-CZ 3.6Å |
| 34 | I | 85 | Confident | 84.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.046 | 25% | 0.251 | C | S | . | . | trans | -100.1 | 119.3 | -178.3 | -57 | -172.9 | 0 | 0 | 0 | 109.5 | F3 A9 C10 I13 I29 D32 T38 | F3-I34 HydrophobicContact CB-CG2 3.56Å; F3-I34 HydrophobicContact CD1-CD1 4.19Å; F3-I34 HydrophobicContact CD1-CG2 3.76Å; F3-I34 HydrophobicContact CE1-CD1 4.33Å; F3-I34 HydrophobicContact CG-CG2 3.83Å; A9-I34 HydrophobicContact CB-CD1 3.99Å; A9-I34 HydrophobicContact CB-CG2 4.4Å; C10-I34 HydrophobicContact CB-CD1 4.17Å; C10-I34 HydrophobicContact CB-CG1 4.41Å; I13-I34 HydrophobicContact CD1-CD1 3.99Å; I29-I34 HydrophobicContact CD1-CD1 3.69Å; I29-I34 HydrophobicContact CD1-CG1 4.03Å; D32-I34 VanDerWaalsContact C-N 3.34Å; D32-I34 PolarHBondContact O-N 2.79Å; I34-T38 HydrophobicContact CG2-CG2 4.49Å | ||
| 35 | K | 85.5 | Confident | 83.8 | Confident | 134 Ų | 134 | 48.4 Ų | 48.4 | 58% | 0.583 | 25% | 0.25 | S | C | * | . | trans | -111.5 | 159.4 | -179.6 | -61.1 | -179 | -179 | -178.5 | 0 | 109.6 | L37 T38 | K35-L37 PolarHBondContact O-N 3.08Å; K35-T38 PolarHBondContact N-OG1 3.06Å; K35-T38 VanDerWaalsContact N-OG1 3.1Å; K35-T38 VanDerWaalsContact O-CB 3.23Å; K35-T38 WeakPolarHBondContact O-CB 3.37Å; K35-T38 PolarHBondContact O-N 2.79Å; K35-T38 PolarHBondContact O-OG1 3.32Å; K35-T38 VanDerWaalsContact O-OG1 3.1Å | ||
| 36 | P | 83.8 | Confident | 83.6 | Confident | 82 Ų | 82 | 49 Ų | 49 | 53% | 0.532 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.4 | 176.7 | -26.3 | 35.7 | 0 | 0 | 0 | 114.9 | R39 | P36-R39 PolarHBondContact O-NH1 2.89Š|
| 37 | L | 85.3 | Confident | 83.1 | Confident | 123 Ų | 123 | 46.3 Ų | 46.3 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 5.9 | 174.5 | -63.2 | -179.2 | 0 | 0 | 0 | 114.4 | K35 Y187 | K35-L37 PolarHBondContact O-N 3.08Å; L37-Y187 PolarHBondContact O-OH 3.3Å |
| 38 | T | 85.3 | Confident | 82.7 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | trans | -58 | 150.1 | 167.3 | -65.7 | 0 | 0 | 0 | 0 | 109.4 | F3 I34 K35 V41 S189 Y310 | F3-T38 HydrophobicContact CD2-CG2 3.44Å; F3-T38 VanDerWaalsContact CD2-CG2 3.44Å; F3-T38 HydrophobicContact CE2-CG2 3.71Å; F3-T38 HydrophobicContact CG-CG2 4.04Å; F3-T38 HydrophobicContact CZ-CG2 4.45Å; I34-T38 HydrophobicContact CG2-CG2 4.49Å; K35-T38 PolarHBondContact N-OG1 3.06Å; K35-T38 VanDerWaalsContact N-OG1 3.1Å; K35-T38 VanDerWaalsContact O-CB 3.23Å; K35-T38 WeakPolarHBondContact O-CB 3.37Å; K35-T38 PolarHBondContact O-N 2.79Å; K35-T38 PolarHBondContact O-OG1 3.32Å; K35-T38 VanDerWaalsContact O-OG1 3.1Å; T38-V41 HydrophobicContact CG2-CG2 3.47Å; T38-V41 VanDerWaalsContact CG2-CG2 3.47Å; T38-S189 WeakPolarHBondContact CA-OG 3.08Å; T38-Y310 VanDerWaalsContact O-CE2 3.22Å; T38-Y310 WeakPolarHBondContact O-CE2 3.48Å; T38-Y310 PolarHBondContact O-OH 3.27Å | ||
| 39 | R | 84.5 | Confident | 82.4 | Confident | 66 Ų | 66 | 47 Ų | 47 | 25% | 0.249 | 24% | 0.239 | C | C | . | . | trans | -128.7 | -44.7 | 179.2 | -69.2 | -59.4 | 176.8 | -100 | -3.8 | 112 | P36 L186 Y187 S189 | P36-R39 PolarHBondContact O-NH1 2.89Å; R39-L186 HydrophobicContact CB-CD1 4.3Å; R39-L186 WeakPolarHBondContact O-CD1 3.12Å; R39-Y187 HydrophobicContact CB-CD1 4.14Å; R39-Y187 HydrophobicContact CB-CE1 3.98Å; R39-Y187 HydrophobicContact CB-CE2 4.44Å; R39-Y187 HydrophobicContact CB-CG 4.47Å; R39-Y187 HydrophobicContact CG-CD1 3.97Å; R39-Y187 HydrophobicContact CG-CE1 3.36Å; R39-Y187 HydrophobicContact CG-CE2 4.37Å; R39-S189 PolarHBondContact N-OG 3.26Å | ||
| 40 | L | 86.5 | Confident | 82.4 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 138.9 | 172.7 | 174.6 | 59.9 | 0 | 0 | 0 | 109.3 | L42 L186 Y187 V188 S189 V307 W308 | L40-L42 HydrophobicContact CD2-CD2 4.39Å; L40-L42 HydrophobicContact CG-CD2 4.46Å; L40-L186 HydrophobicContact CB-CD1 4.08Å; L40-L186 HydrophobicContact CB-CG 4.25Å; L40-L186 HydrophobicContact CD2-CD2 4.11Å; L40-L186 HydrophobicContact CD2-CG 4.45Å; L40-Y187 WeakPolarHBondContact CB-O 3.11Å; L40-Y187 PolarHBondContact N-O 3.21Å; L40-V188 HydrophobicContact CD2-CG2 3.78Å; L40-V188 HydrophobicContact CG-CG2 4.25Å; L40-S189 PolarHBondContact O-N 3.05Å; L40-V307 HydrophobicContact CD1-CG1 3.8Å; L40-W308 WeakPolarHBondContact CD1-O 3.16Å |
| 41 | V | 84.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.8 | 169.6 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | F3 T38 I43 E190 F192 | F3-V41 HydrophobicContact CZ-CG2 4.27Å; T38-V41 HydrophobicContact CG2-CG2 3.47Å; T38-V41 VanDerWaalsContact CG2-CG2 3.47Å; V41-I43 HydrophobicContact CG1-CG2 3.96Å; V41-E190 WeakPolarHBondContact CA-O 3.4Å; V41-F192 HydrophobicContact CG1-CD2 3.91Å; V41-F192 HydrophobicContact CG1-CE2 4.1Å |
| 42 | L | 85.1 | Confident | 82.9 | Confident | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.4 | 169.5 | -63.5 | -178.7 | 0 | 0 | 0 | 109.1 | L40 M169 V188 E190 A191 F192 | L40-L42 HydrophobicContact CD2-CD2 4.39Å; L40-L42 HydrophobicContact CG-CD2 4.46Å; L42-M169 HydrophobicContact CD1-CE 3.72Å; L42-V188 HydrophobicContact CD1-CG1 4.02Å; L42-V188 HydrophobicContact CD1-CG2 3.82Å; L42-V188 HydrophobicContact CG-CG1 3.88Å; L42-V188 HydrophobicContact CG-CG2 3.96Å; L42-E190 PolarHBondContact N-O 3.07Å; L42-A191 HydrophobicContact CB-CB 3.95Å; L42-A191 CarbonylContact O-C 3.6Å; L42-A191 VanDerWaalsContact O-CA 3.31Å; L42-A191 WeakPolarHBondContact O-CA 3.45Å; L42-F192 PolarHBondContact O-N 3.35Å |
| 43 | I | 79.8 | Confident | 83.3 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135 | 178 | 57.9 | 168 | 0 | 0 | 0 | 111.2 | I13 W16 V17 L28 I29 V41 F192 F306 | I13-I43 HydrophobicContact CG2-CD1 3.87Å; I13-I43 HydrophobicContact CG2-CG2 4.27Å; W16-I43 HydrophobicContact CE3-CD1 4.49Å; W16-I43 HydrophobicContact CZ3-CD1 4.27Å; V17-I43 HydrophobicContact CG2-CD1 4.4Å; L28-I43 HydrophobicContact CD2-CB 3.74Å; L28-I43 HydrophobicContact CD2-CD1 4.47Å; L28-I43 HydrophobicContact CD2-CG2 3.94Å; I29-I43 HydrophobicContact CG2-CG2 4.21Å; V41-I43 HydrophobicContact CG1-CG2 3.96Å; I43-F192 WeakPolarHBondContact CA-O 3.49Å; I43-F306 HydrophobicContact CD1-CB 4.49Å; I43-F306 WeakPolarHBondContact CG1-O 3.38Å |
| 44 | N | 80.5 | Confident | 83.7 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.5 | 166.7 | -170.9 | -13.8 | 0 | 0 | 0 | 109 | F192 H193 K194 W305 | N44-F192 PolarHBondContact N-O 2.93Å; N44-H193 HydrophobicContact CB-CB 4.19Å; N44-H193 VanDerWaalsContact CG-ND1 3.3Å; N44-H193 PolarHBondContact ND2-ND1 3.38Å; N44-H193 VanDerWaalsContact ND2-ND1 3.12Å; N44-H193 CarbonylContact O-C 3.59Å; N44-H193 WeakPolarHBondContact O-CA 3.37Å; N44-K194 PolarHBondContact O-N 3.43Å; N44-W305 HydrophobicContact CB-CD2 4.36Å; N44-W305 HydrophobicContact CB-CE3 3.91Å; N44-W305 HydrophobicContact CB-CH2 3.62Å; N44-W305 HydrophobicContact CB-CZ2 4.06Å; N44-W305 HydrophobicContact CB-CZ3 3.54Å; N44-W305 WeakPolarHBondContact ND2-CH2 3.39Å; N44-W305 WeakPolarHBondContact ND2-CZ2 3.36Å |
| 45 | A | 73.6 | Confident | 84.1 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 22% | 0.223 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | V17 T21 I25 L28 K194 | V17-A45 HydrophobicContact CG1-CB 3.45Å; V17-A45 VanDerWaalsContact CG1-CB 3.45Å; V17-A45 HydrophobicContact CG2-CB 4.42Å; T21-A45 HydrophobicContact CG2-CB 4.18Å; I25-A45 HydrophobicContact CD1-CB 4.02Å; I25-A45 HydrophobicContact CG2-CB 4.29Å; L28-A45 HydrophobicContact CD1-CB 4.43Å; L28-A45 HydrophobicContact CD2-CB 4.2Å; A45-K194 WeakPolarHBondContact CA-O 3.2Å |
| 46 | I | 76.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.7 | -173.8 | -164.1 | 178.9 | 0 | 0 | 0 | 110.1 | I25 K194 A195 F196 F249 L303 | I25-I46 WeakPolarHBondContact CD1-O 3.38Å; I46-K194 PolarHBondContact N-O 3.34Å; I46-A195 HydrophobicContact CG2-CB 3.66Å; I46-A195 CarbonylContact O-C 3.53Å; I46-A195 WeakPolarHBondContact O-CA 3.34Å; I46-F196 PolarHBondContact O-N 2.86Å; I46-F249 HydrophobicContact CB-CZ 4.24Å; I46-F249 HydrophobicContact CD1-CD2 4.4Å; I46-F249 HydrophobicContact CD1-CE1 3.93Å; I46-F249 HydrophobicContact CD1-CE2 3.52Å; I46-F249 HydrophobicContact CD1-CZ 3.28Å; I46-F249 HydrophobicContact CG1-CE1 4.27Å; I46-F249 HydrophobicContact CG1-CE2 4.05Å; I46-F249 HydrophobicContact CG1-CZ 3.49Å; I46-F249 VanDerWaalsContact CG1-CZ 3.49Å; I46-F249 HydrophobicContact CG2-CE1 3.77Å; I46-F249 HydrophobicContact CG2-CZ 3.86Å; I46-L303 HydrophobicContact CD1-CD1 4.06Å; I46-L303 HydrophobicContact CD1-CD2 3.37Å; I46-L303 HydrophobicContact CD1-CG 4.38Å; I46-L303 HydrophobicContact CG1-CD2 3.65Å |
| 47 | Y | 75.5 | Confident | 85 | Confident | 45 Ų | 45 | 40 Ų | 40 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 116.8 | 176.2 | 166 | -123.1 | 0 | 0 | 0 | 108 | K24 K49 F196 E205 | K24-Y47 HydrophobicContact CB-CD1 4.39Å; K24-Y47 HydrophobicContact CB-CD2 3.92Å; K24-Y47 HydrophobicContact CB-CE2 4.1Å; K24-Y47 HydrophobicContact CB-CG 4.07Å; K24-Y47 HydrophobicContact CD-CE2 4.03Å; K24-Y47 HydrophobicContact CG-CD1 4.25Å; K24-Y47 HydrophobicContact CG-CD2 4.12Å; K24-Y47 HydrophobicContact CG-CE1 3.92Å; K24-Y47 HydrophobicContact CG-CE2 3.8Å; K24-Y47 HydrophobicContact CG-CG 4.32Å; Y47-K49 HydrophobicContact CD1-CB 4.37Å; Y47-K49 HydrophobicContact CE1-CB 3.69Å; Y47-K49 HydrophobicContact CE1-CD 4.01Å; Y47-K49 HydrophobicContact CE1-CG 4.16Å; Y47-K49 HydrophobicContact CE2-CB 4.43Å; Y47-K49 WeakPolarHBondContact OH-CD 3.15Å; Y47-K49 WeakPolarHBondContact OH-CG 3.4Å; Y47-F196 WeakPolarHBondContact CA-O 3.08Å; Y47-F196 HydrophobicContact CD2-CB 4.12Å; Y47-F196 AromaticContact CD2-CD1 3.45Å; Y47-F196 HydrophobicContact CD2-CD1 3.45Å; Y47-F196 VanDerWaalsContact CD2-CD1 3.45Å; Y47-F196 HydrophobicContact CD2-CE1 4.09Å; Y47-F196 HydrophobicContact CD2-CG 4.02Å; Y47-F196 AromaticContact CE2-CD1 3.6Å; Y47-F196 HydrophobicContact CE2-CD1 3.6Å; Y47-F196 AromaticContact CE2-CE1 3.75Å; Y47-F196 HydrophobicContact CE2-CE1 3.75Å; Y47-E205 PolarHBondContact OH-OE1 3.09Å; Y47-E205 PolarHBondContact OH-OE2 3.5Å |
| 48 | F | 78.3 | Confident | 85.4 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 9% | 0.088 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.5 | 177.2 | -169.6 | -93.6 | 0 | 0 | 0 | 111.2 | A50 Y100 F196 I239 F249 | F48-A50 HydrophobicContact CE1-CB 3.67Å; F48-A50 HydrophobicContact CZ-CB 3.61Å; F48-Y100 HydrophobicContact CE1-CD1 4.44Å; F48-Y100 AromaticContact CE1-CE1 3.76Å; F48-Y100 HydrophobicContact CE1-CE1 3.76Å; F48-Y100 AromaticContact CE1-CE2 3.84Å; F48-Y100 HydrophobicContact CE1-CE2 3.84Å; F48-Y100 AromaticContact CE1-CZ 3.41Å; F48-Y100 VanDerWaalsContact CE1-CZ 3.41Å; F48-Y100 WeakPolarHBondContact CE1-OH 3.38Å; F48-Y100 HydrophobicContact CZ-CD2 4.19Å; F48-Y100 HydrophobicContact CZ-CE1 4.31Å; F48-Y100 AromaticContact CZ-CE2 3.8Å; F48-Y100 HydrophobicContact CZ-CE2 3.8Å; F48-Y100 AromaticContact CZ-CZ 3.87Å; F48-F196 PolarHBondContact N-O 2.97Å; F48-I239 HydrophobicContact CB-CD1 4.33Å; F48-I239 HydrophobicContact CD1-CD1 3.49Å; F48-I239 VanDerWaalsContact CD1-CD1 3.49Å; F48-I239 HydrophobicContact CD2-CD1 3.9Å; F48-I239 HydrophobicContact CE1-CD1 3.68Å; F48-I239 HydrophobicContact CE2-CD1 4.06Å; F48-I239 HydrophobicContact CE2-CG2 3.94Å; F48-I239 HydrophobicContact CG-CD1 3.6Å; F48-I239 HydrophobicContact CZ-CD1 3.95Å; F48-I239 HydrophobicContact CZ-CG2 3.94Å; F48-F249 HydrophobicContact CB-CE2 3.71Å; F48-F249 HydrophobicContact CB-CZ 3.8Å; F48-F249 HydrophobicContact CD2-CD2 4.35Å; F48-F249 AromaticContact CD2-CE2 3.83Å; F48-F249 HydrophobicContact CD2-CE2 3.83Å; F48-F249 HydrophobicContact CG-CE2 4.06Å |
| 49 | K | 78 | Confident | 85.8 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | trans | -143.7 | 113 | -178.9 | -162.6 | -169.5 | 177.7 | 127.8 | 0 | 109.4 | Y47 S204 E205 | Y47-K49 HydrophobicContact CD1-CB 4.37Å; Y47-K49 HydrophobicContact CE1-CB 3.69Å; Y47-K49 HydrophobicContact CE1-CD 4.01Å; Y47-K49 HydrophobicContact CE1-CG 4.16Å; Y47-K49 HydrophobicContact CE2-CB 4.43Å; Y47-K49 WeakPolarHBondContact OH-CD 3.15Å; Y47-K49 WeakPolarHBondContact OH-CG 3.4Å; K49-S204 VanDerWaalsContact CA-O 3.3Å; K49-S204 WeakPolarHBondContact CA-O 3.4Å; K49-S204 WeakPolarHBondContact CG-O 3.22Å; K49-E205 HydrophobicContact CD-CB 4.29Å; K49-E205 WeakPolarHBondContact CE-O 3.35Å; K49-E205 HydrophobicContact CG-CB 4.09Å; K49-E205 VanDerWaalsContact NZ-CB 3.32Å; K49-E205 IonicContact NZ-OE1 2.64Å; K49-E205 PolarHBondContact NZ-OE1 3.05Å | ||
| 50 | A | 83.7 | Confident | 86.3 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | trans | -160.9 | 134.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F48 Y100 G203 S204 | F48-A50 HydrophobicContact CE1-CB 3.67Å; F48-A50 HydrophobicContact CZ-CB 3.61Å; A50-Y100 HydrophobicContact CB-CD1 3.54Å; A50-Y100 HydrophobicContact CB-CE1 4Å; A50-Y100 HydrophobicContact CB-CG 3.92Å; A50-Y100 WeakPolarHBondContact O-CD1 3.15Å; A50-Y100 WeakPolarHBondContact O-CE1 3.25Å; A50-G203 CarbonylContact O-C 3.58Å; A50-G203 WeakPolarHBondContact O-CA 3.23Å; A50-S204 PolarHBondContact N-O 2.88Å; A50-S204 PolarHBondContact O-N 3.37Å | ||
| 51 | D | 88.9 | Confident | 86.8 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -76.7 | 145.1 | 176.9 | -66.4 | -52.8 | 0 | 0 | 0 | 111.4 | Y100 V101 K202 | D51-Y100 CarbonylContact O-C 3.19Å; D51-Y100 VanDerWaalsContact O-CA 3.27Å; D51-Y100 WeakPolarHBondContact O-CA 3.41Å; D51-Y100 WeakPolarHBondContact O-CB 3.37Å; D51-Y100 WeakPolarHBondContact O-CD1 3.48Å; D51-V101 HydrophobicContact CB-CG2 3.96Å; D51-V101 PolarHBondContact O-N 2.95Å; D51-K202 CarbonylContact C-O 3.4Å; D51-K202 WeakPolarHBondContact CA-O 3.38Å |
| 52 | W | 92.4 | Very high | 87.4 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -63.4 | 141.4 | 170.8 | -61 | 130.7 | 0 | 0 | 0 | 110.2 | A54 F56 I98 Y100 M107 I199 N200 K202 G203 | W52-A54 WeakPolarHBondContact CB-O 3.42Å; W52-A54 PolarHBondContact O-N 2.87Å; W52-F56 AromaticContact CD1-CD2 3.82Å; W52-F56 AromaticContact NE1-CD2 3.72Å; W52-F56 AromaticContact NE1-CE2 3.64Å; W52-I98 HydrophobicContact CD2-CG2 3.94Å; W52-I98 HydrophobicContact CE3-CB 4.16Å; W52-I98 HydrophobicContact CE3-CG2 3.49Å; W52-I98 VanDerWaalsContact CE3-CG2 3.49Å; W52-I98 HydrophobicContact CH2-CB 4.48Å; W52-I98 HydrophobicContact CH2-CG2 4.48Å; W52-I98 HydrophobicContact CZ3-CB 3.93Å; W52-I98 HydrophobicContact CZ3-CG2 3.79Å; W52-Y100 HydrophobicContact CD2-CD1 4.49Å; W52-Y100 HydrophobicContact CD2-CE1 4.26Å; W52-Y100 AromaticContact CE3-CD1 3.68Å; W52-Y100 HydrophobicContact CE3-CD1 3.68Å; W52-Y100 AromaticContact CE3-CE1 3.49Å; W52-Y100 HydrophobicContact CE3-CE1 3.49Å; W52-Y100 VanDerWaalsContact CE3-CE1 3.49Å; W52-Y100 HydrophobicContact CE3-CG 4.36Å; W52-Y100 AromaticContact CH2-CE1 3.91Å; W52-Y100 HydrophobicContact CH2-CE1 3.91Å; W52-Y100 AromaticContact CH2-CZ 3.87Å; W52-Y100 AromaticContact CZ3-CD1 3.89Å; W52-Y100 HydrophobicContact CZ3-CD1 3.89Å; W52-Y100 AromaticContact CZ3-CE1 3.3Å; W52-Y100 HydrophobicContact CZ3-CE1 3.3Å; W52-Y100 HydrophobicContact CZ3-CE2 4.01Å; W52-Y100 HydrophobicContact CZ3-CG 4.47Å; W52-Y100 AromaticContact CZ3-CZ 3.37Å; W52-M107 HydrophobicContact CH2-CB 3.8Å; W52-M107 HydrophobicContact CH2-CG 4.3Å; W52-M107 HydrophobicContact CH2-SD 3.69Å; W52-M107 HydrophobicContact CZ3-CB 3.74Å; W52-I199 HydrophobicContact CH2-CD1 4.34Å; W52-I199 HydrophobicContact CZ2-CD1 4.31Å; W52-I199 HydrophobicContact CZ2-CG2 4.24Å; W52-N200 PolarHBondContact NE1-O 3.33Å; W52-K202 PolarHBondContact N-O 2.79Å; W52-G203 VanDerWaalsContact NE1-CA 3.32Å |
| 53 | K | 92.8 | Very high | 88 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -60 | -26.3 | 168.9 | -176.3 | 170.2 | 174.8 | 175.4 | 0 | 111.6 | P99 E103 | K53-P99 HydrophobicContact CB-CB 4.27Å; K53-P99 HydrophobicContact CB-CG 4.16Å; K53-P99 WeakPolarHBondContact CB-O 3.4Å; K53-P99 HydrophobicContact CD-CB 4.46Å; K53-P99 HydrophobicContact CD-CG 4.37Å; K53-P99 PolarHBondContact N-O 3.13Å; K53-E103 IonicContact NZ-OE1 2.62Å; K53-E103 PolarHBondContact NZ-OE1 2.91Å |
| 54 | A | 92.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 57 Ų | 57 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -131.9 | 107.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | W52 M81 K83 F85 | W52-A54 WeakPolarHBondContact CB-O 3.42Å; W52-A54 PolarHBondContact O-N 2.87Å; A54-M81 WeakPolarHBondContact O-CE 2.97Å; A54-K83 HydrophobicContact CB-CD 3.62Å; A54-K83 VanDerWaalsContact CB-NZ 3.33Å; A54-F85 HydrophobicContact CB-CZ 4.42Å |
| 55 | P | 93.1 | Very high | 89.5 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 148.6 | 177.9 | 29.8 | -35 | 0 | 0 | 0 | 111.8 | E201 | P55-E201 CarbonylContact C-O 3.59Å; P55-E201 WeakPolarHBondContact CA-O 3.44Å; P55-E201 WeakPolarHBondContact CB-O 3.08Å |
| 56 | F | 93.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 4% | 0.044 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 147.8 | 166.4 | -63.3 | -100.4 | 0 | 0 | 0 | 110.1 | W52 M79 M81 I98 V144 E201 | W52-F56 AromaticContact CD1-CD2 3.82Å; W52-F56 AromaticContact NE1-CD2 3.72Å; W52-F56 AromaticContact NE1-CE2 3.64Å; F56-M79 HydrophobicContact CB-CB 4.32Å; F56-M79 HydrophobicContact CD1-CB 3.61Å; F56-M79 HydrophobicContact CD2-CB 4.42Å; F56-M79 HydrophobicContact CD2-CE 4.29Å; F56-M79 HydrophobicContact CD2-SD 4.4Å; F56-M79 HydrophobicContact CE1-CB 3.94Å; F56-M79 HydrophobicContact CE2-CE 4.09Å; F56-M79 HydrophobicContact CG-CB 3.88Å; F56-M79 HydrophobicContact CZ-CB 4.49Å; F56-M79 HydrophobicContact CZ-CE 4.42Å; F56-M81 HydrophobicContact CB-CE 4.12Å; F56-M81 HydrophobicContact CD1-CB 3.97Å; F56-M81 HydrophobicContact CD1-CE 3.46Å; F56-M81 VanDerWaalsContact CD1-CE 3.46Å; F56-M81 HydrophobicContact CD1-CG 4Å; F56-M81 HydrophobicContact CD2-CE 3.4Å; F56-M81 VanDerWaalsContact CD2-CE 3.4Å; F56-M81 HydrophobicContact CE1-CB 4.27Å; F56-M81 HydrophobicContact CE1-CE 3.61Å; F56-M81 HydrophobicContact CE1-CG 3.86Å; F56-M81 HydrophobicContact CE2-CE 3.54Å; F56-M81 HydrophobicContact CG-CE 3.36Å; F56-M81 HydrophobicContact CZ-CE 3.64Å; F56-I98 HydrophobicContact CE2-CD1 4.42Å; F56-I98 HydrophobicContact CZ-CD1 4.05Å; F56-V144 HydrophobicContact CE1-CG1 4.2Å; F56-V144 HydrophobicContact CZ-CG1 4.2Å; F56-E201 HydrophobicContact CB-CB 3.93Å; F56-E201 HydrophobicContact CB-CG 4.16Å; F56-E201 PolarHBondContact N-O 2.88Å |
| 57 | K | 93 | Very high | 91.5 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 118.6 | 171.6 | -68.5 | -179.8 | 174.5 | -176.4 | 0 | 108.2 | A59 L60 I212 | K57-A59 PolarHBondContact O-N 3Å; K57-A59 VanDerWaalsContact O-N 3.14Å; K57-L60 HydrophobicContact CB-CD1 4.05Å; K57-L60 HydrophobicContact CB-CG 4.01Å; K57-L60 HydrophobicContact CD-CD1 4.4Å; K57-L60 WeakPolarHBondContact O-CA 3.28Å; K57-L60 WeakPolarHBondContact O-CB 3.26Å; K57-L60 PolarHBondContact O-N 3.02Å; K57-I212 PolarHBondContact NZ-O 2.65Å |
| 58 | T | 94.3 | Very high | 92.3 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -55.9 | -31.2 | 179.4 | 51 | 0 | 0 | 0 | 0 | 113.6 | L60 T61 E201 | T58-L60 PolarHBondContact O-N 3.1Å; T58-T61 WeakPolarHBondContact O-CB 3.49Å; T58-T61 PolarHBondContact O-N 3.43Å; T58-T61 VanDerWaalsContact O-N 3.07Å; T58-T61 PolarHBondContact O-OG1 3.1Å; T58-E201 HydrophobicContact CG2-CB 3.9Å; T58-E201 HydrophobicContact CG2-CG 3.83Å |
| 59 | A | 95.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 74% | 0.744 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -66.2 | -12 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K57 | K57-A59 PolarHBondContact O-N 3Å; K57-A59 VanDerWaalsContact O-N 3.14Å |
| 60 | L | 94.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -99.7 | -8.4 | 173 | -56.4 | -179.8 | 0 | 0 | 0 | 112.5 | K57 T58 K62 Q80 | K57-L60 HydrophobicContact CB-CD1 4.05Å; K57-L60 HydrophobicContact CB-CG 4.01Å; K57-L60 HydrophobicContact CD-CD1 4.4Å; K57-L60 WeakPolarHBondContact O-CA 3.28Å; K57-L60 WeakPolarHBondContact O-CB 3.26Å; K57-L60 PolarHBondContact O-N 3.02Å; T58-L60 PolarHBondContact O-N 3.1Å; L60-K62 PolarHBondContact O-N 3.35Å; L60-Q80 HydrophobicContact CB-CB 4.17Å; L60-Q80 WeakPolarHBondContact O-CG 3.13Å; L60-Q80 PolarHBondContact O-OE1 3.05Å |
| 61 | T | 97.1 | Very high | 93.5 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | trans | -67.9 | 126 | 171.8 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | T58 E77 M78 M79 E201 | T58-T61 WeakPolarHBondContact O-CB 3.49Å; T58-T61 PolarHBondContact O-N 3.43Å; T58-T61 VanDerWaalsContact O-N 3.07Å; T58-T61 PolarHBondContact O-OG1 3.1Å; T61-E77 HydrophobicContact CG2-CB 3.92Å; T61-M78 VanDerWaalsContact CA-O 3.29Å; T61-M78 WeakPolarHBondContact CA-O 3.4Å; T61-M79 HydrophobicContact CG2-CG 4.36Å; T61-E201 VanDerWaalsContact OG1-CG 3.3Å; T61-E201 WeakPolarHBondContact OG1-CG 3.47Å; T61-E201 PolarHBondContact OG1-OE1 2.94Å | ||
| 62 | K | 96.8 | Very high | 93.7 | Very high | 116 Ų | 116 | 69.5 Ų | 69.5 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.1 | -177.2 | -69.3 | 175.4 | -175 | 168 | 0 | 111.2 | L60 T64 M78 | L60-K62 PolarHBondContact O-N 3.35Å; K62-T64 PolarHBondContact O-N 3.31Å; K62-M78 PolarHBondContact N-O 2.98Å; K62-M78 PolarHBondContact O-N 2.99Å |
| 63 | K | 97.5 | Very high | 93.7 | Very high | 163 Ų | 163 | 74.7 Ų | 74.7 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.7 | 169.5 | -72.4 | -175.7 | 179.6 | -179 | 0 | 109.7 | T75 V76 | K63-T75 HydrophobicContact CB-CG2 3.79Å; K63-T75 HydrophobicContact CD-CG2 4.28Å; K63-T75 HydrophobicContact CG-CG2 4.23Å; K63-V76 CarbonylContact C-O 3.51Å; K63-V76 VanDerWaalsContact CA-O 3.3Å; K63-V76 WeakPolarHBondContact CA-O 3.35Å |
| 64 | T | 96 | Very high | 93.8 | Very high | 42 Ų | 42 | 72 Ų | 72 | 26% | 0.258 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 164.6 | 176.2 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | K62 T75 V76 M78 | K62-T64 PolarHBondContact O-N 3.31Å; T64-T75 CarbonylContact O-C 3.58Å; T64-T75 WeakPolarHBondContact O-CA 3.4Å; T64-V76 PolarHBondContact N-O 2.68Å; T64-V76 PolarHBondContact O-N 2.79Å; T64-M78 HydrophobicContact CG2-CB 3.69Å; T64-M78 HydrophobicContact CG2-CG 4.25Å; T64-M78 WeakPolarHBondContact OG1-CB 3.46Å; T64-M78 WeakPolarHBondContact OG1-CE 3.18Å |
| 65 | T | 96.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 76.7 Ų | 76.7 | 33% | 0.331 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 145.2 | 168.3 | -56.7 | 0 | 0 | 0 | 0 | 111 | Y67 E73 K74 | T65-Y67 HydrophobicContact CG2-CD1 4.31Å; T65-Y67 HydrophobicContact CG2-CD2 4.46Å; T65-Y67 HydrophobicContact CG2-CE1 3.92Å; T65-Y67 HydrophobicContact CG2-CE2 4.04Å; T65-E73 HydrophobicContact CG2-CB 4.02Å; T65-E73 HydrophobicContact CG2-CG 3.94Å; T65-E73 WeakPolarHBondContact CG2-OE2 3.37Å; T65-K74 CarbonylContact C-O 3.49Å; T65-K74 WeakPolarHBondContact CA-O 3.45Å |
| 66 | F | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.3 | 165.8 | -173.7 | -82.6 | 0 | 0 | 0 | 109.1 | V68 E73 K74 V76 P147 A231 D232 H233 P234 F235 Y253 Y254 E255 | F66-V68 HydrophobicContact CD1-CG2 4.06Å; F66-V68 HydrophobicContact CE1-CG2 4.48Å; F66-V68 PolarHBondContact O-N 2.85Å; F66-E73 CarbonylContact O-C 3.48Å; F66-E73 WeakPolarHBondContact O-CA 3.28Å; F66-K74 PolarHBondContact N-O 3.5Å; F66-K74 PolarHBondContact O-N 2.86Å; F66-V76 HydrophobicContact CB-CB 4.39Å; F66-V76 HydrophobicContact CB-CG1 3.56Å; F66-V76 HydrophobicContact CB-CG2 3.89Å; F66-V76 HydrophobicContact CG-CG1 4.17Å; F66-P147 HydrophobicContact CE2-CG 4.39Å; F66-A231 WeakPolarHBondContact CE2-O 3.19Å; F66-D232 CarbonylContact C-O 3.44Å; F66-D232 WeakPolarHBondContact CA-O 3.44Å; F66-D232 VanDerWaalsContact CD2-C 3.44Å; F66-H233 WeakPolarHBondContact CE2-O 3.25Å; F66-H233 WeakPolarHBondContact CZ-O 3.38Å; F66-P234 HydrophobicContact CE1-CG 4.37Å; F66-P234 HydrophobicContact CZ-CG 4.49Å; F66-F235 HydrophobicContact CE2-CE1 4.27Å; F66-Y253 HydrophobicContact CD2-CE1 4.41Å; F66-Y253 HydrophobicContact CE1-CD1 4.43Å; F66-Y253 HydrophobicContact CE1-CE1 4.49Å; F66-Y253 AromaticContact CE2-CD1 3.75Å; F66-Y253 HydrophobicContact CE2-CD1 3.75Å; F66-Y253 AromaticContact CE2-CE1 3.9Å; F66-Y253 HydrophobicContact CE2-CE1 3.9Å; F66-Y253 AromaticContact CZ-CD1 3.6Å; F66-Y253 HydrophobicContact CZ-CD1 3.6Å; F66-Y253 AromaticContact CZ-CE1 3.94Å; F66-Y253 HydrophobicContact CZ-CE1 3.94Å; F66-Y254 WeakPolarHBondContact CE1-O 3.14Å; F66-E255 HydrophobicContact CD1-CB 3.75Å; F66-E255 HydrophobicContact CE1-CB 3.89Å; F66-E255 HydrophobicContact CG-CB 4.44Å |
| 67 | Y | 95.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 77 Ų | 77 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 90.5 | -175.2 | -58.3 | -85.2 | 0 | 0 | 0 | 110.1 | T65 E73 K115 D232 P234 | T65-Y67 HydrophobicContact CG2-CD1 4.31Å; T65-Y67 HydrophobicContact CG2-CD2 4.46Å; T65-Y67 HydrophobicContact CG2-CE1 3.92Å; T65-Y67 HydrophobicContact CG2-CE2 4.04Å; Y67-E73 HydrophobicContact CD1-CG 3.68Å; Y67-E73 WeakPolarHBondContact CD1-OE1 3.41Å; Y67-E73 HydrophobicContact CE1-CG 4.03Å; Y67-E73 WeakPolarHBondContact CE1-OE1 3.34Å; Y67-K115 HydrophobicContact CD2-CD 4.12Å; Y67-K115 VanDerWaalsContact CD2-NZ 3.3Å; Y67-K115 HydrophobicContact CG-CD 4.19Å; Y67-D232 HydrophobicContact CD2-CB 4.25Å; Y67-D232 WeakPolarHBondContact CD2-O 3.27Å; Y67-D232 WeakPolarHBondContact CD2-OD2 3.32Å; Y67-D232 HydrophobicContact CE2-CB 4.4Å; Y67-D232 WeakPolarHBondContact CE2-OD2 3.15Å; Y67-D232 PolarHBondContact N-O 3.34Å; Y67-P234 WeakPolarHBondContact O-CD 3.29Å |
| 68 | V | 91.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 72.9 Ų | 72.9 | 9% | 0.085 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -48.5 | -174.2 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | F66 E72 K74 P234 Y254 E255 | F66-V68 HydrophobicContact CD1-CG2 4.06Å; F66-V68 HydrophobicContact CE1-CG2 4.48Å; F66-V68 PolarHBondContact O-N 2.85Å; V68-E72 HydrophobicContact CB-CB 4.19Å; V68-E72 HydrophobicContact CB-CG 3.96Å; V68-E72 HydrophobicContact CG1-CG 4.31Å; V68-E72 HydrophobicContact CG2-CG 4.32Å; V68-E72 PolarHBondContact N-O 3Å; V68-K74 HydrophobicContact CG2-CB 4.34Å; V68-K74 HydrophobicContact CG2-CG 3.64Å; V68-P234 WeakPolarHBondContact O-CG 3.5Å; V68-Y254 WeakPolarHBondContact CG1-O 3.18Å; V68-E255 HydrophobicContact CG2-CB 4.12Å |
| 69 | K | 89 | Confident | 94.5 | Very high | 116 Ų | 116 | 68.5 Ų | 68.5 | 50% | 0.504 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 177.6 | 174 | 60 | 163.8 | -171.3 | -81.3 | 0 | 108.7 | D71 E72 F116 | K69-D71 PolarHBondContact O-N 3.11Å; K69-E72 HydrophobicContact CG-CB 3.65Å; K69-E72 PolarHBondContact N-O 2.84Å; K69-E72 IonicContact NZ-OE2 2.63Å; K69-E72 PolarHBondContact NZ-OE2 3.42Å; K69-E72 PolarHBondContact O-N 3.03Å; K69-F116 VanDerWaalsContact CA-CE1 3.44Å; K69-F116 WeakPolarHBondContact O-CZ 3.49Å |
| 70 | Q | 87.7 | Confident | 94.6 | Very high | 136 Ų | 136 | 65.9 Ų | 65.9 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130 | 168.9 | -171.7 | 176.2 | -16.5 | 0 | 0 | 109.6 | E72 F116 | Q70-E72 PolarHBondContact O-N 3.24Å; Q70-F116 HydrophobicContact CB-CD2 4.39Å; Q70-F116 HydrophobicContact CB-CE2 4.1Å |
| 71 | D | 89.1 | Confident | 94.6 | Very high | 160 Ų | 160 | 63.9 Ų | 63.9 | 86% | 0.856 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 18.7 | -177 | -43.4 | -43.6 | 0 | 0 | 0 | 115.7 | K69 | K69-D71 PolarHBondContact O-N 3.11Š|
| 72 | E | 92 | Very high | 94.4 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.8 | 170.6 | -171.5 | 175.7 | -167.3 | 0 | 0 | 113.2 | V68 K69 Q70 K74 S257 | V68-E72 HydrophobicContact CB-CB 4.19Å; V68-E72 HydrophobicContact CB-CG 3.96Å; V68-E72 HydrophobicContact CG1-CG 4.31Å; V68-E72 HydrophobicContact CG2-CG 4.32Å; V68-E72 PolarHBondContact N-O 3Å; K69-E72 HydrophobicContact CG-CB 3.65Å; K69-E72 PolarHBondContact N-O 2.84Å; K69-E72 IonicContact NZ-OE2 2.63Å; K69-E72 PolarHBondContact NZ-OE2 3.42Å; K69-E72 PolarHBondContact O-N 3.03Å; Q70-E72 PolarHBondContact O-N 3.24Å; E72-K74 WeakPolarHBondContact OE1-CE 3.4Å; E72-K74 IonicContact OE1-NZ 2.65Å; E72-S257 WeakPolarHBondContact OE1-CB 3.48Å; E72-S257 PolarHBondContact OE1-OG 3.49Å |
| 73 | E | 93.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.5 | 177.2 | -69.1 | 179.3 | -160.4 | 0 | 0 | 111.6 | T65 F66 Y67 | T65-E73 HydrophobicContact CG2-CB 4.02Å; T65-E73 HydrophobicContact CG2-CG 3.94Å; T65-E73 WeakPolarHBondContact CG2-OE2 3.37Å; F66-E73 CarbonylContact O-C 3.48Å; F66-E73 WeakPolarHBondContact O-CA 3.28Å; Y67-E73 HydrophobicContact CD1-CG 3.68Å; Y67-E73 WeakPolarHBondContact CD1-OE1 3.41Å; Y67-E73 HydrophobicContact CE1-CG 4.03Å; Y67-E73 WeakPolarHBondContact CE1-OE1 3.34Å |
| 74 | K | 93.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 64.9 Ų | 64.9 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.6 | 173.8 | -62.6 | -64.9 | 174.9 | -171.9 | 0 | 110.7 | T65 F66 V68 E72 E255 S257 | T65-K74 CarbonylContact C-O 3.49Å; T65-K74 WeakPolarHBondContact CA-O 3.45Å; F66-K74 PolarHBondContact N-O 3.5Å; F66-K74 PolarHBondContact O-N 2.86Å; V68-K74 HydrophobicContact CG2-CB 4.34Å; V68-K74 HydrophobicContact CG2-CG 3.64Å; E72-K74 WeakPolarHBondContact OE1-CE 3.4Å; E72-K74 IonicContact OE1-NZ 2.65Å; K74-E255 HydrophobicContact CB-CG 3.89Å; K74-E255 HydrophobicContact CG-CG 3.95Å; K74-S257 PolarHBondContact NZ-OG 2.84Å |
| 75 | T | 95.4 | Very high | 94 | Very high | 106 Ų | 106 | 63 Ų | 63 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.4 | 171.1 | -51.7 | 0 | 0 | 0 | 0 | 109.9 | K63 T64 | K63-T75 HydrophobicContact CB-CG2 3.79Å; K63-T75 HydrophobicContact CD-CG2 4.28Å; K63-T75 HydrophobicContact CG-CG2 4.23Å; T64-T75 CarbonylContact O-C 3.58Å; T64-T75 WeakPolarHBondContact O-CA 3.4Å |
| 76 | V | 95.7 | Very high | 94 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.036 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 157.1 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | K63 T64 F66 M78 P147 E255 | K63-V76 CarbonylContact C-O 3.51Å; K63-V76 VanDerWaalsContact CA-O 3.3Å; K63-V76 WeakPolarHBondContact CA-O 3.35Å; T64-V76 PolarHBondContact N-O 2.68Å; T64-V76 PolarHBondContact O-N 2.79Å; F66-V76 HydrophobicContact CB-CB 4.39Å; F66-V76 HydrophobicContact CB-CG1 3.56Å; F66-V76 HydrophobicContact CB-CG2 3.89Å; F66-V76 HydrophobicContact CG-CG1 4.17Å; V76-M78 HydrophobicContact CG2-CE 4.02Å; V76-M78 PolarHBondContact O-N 3.44Å; V76-P147 HydrophobicContact CB-CB 4.41Å; V76-P147 HydrophobicContact CG2-CB 4.15Å; V76-E255 HydrophobicContact CG1-CG 4.12Å; V76-E255 WeakPolarHBondContact CG1-OE2 3.41Å |
| 77 | E | 96.4 | Very high | 94 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 105.6 | 168.2 | -66.8 | -165.3 | 139.7 | 0 | 0 | 109.3 | T61 P147 K148 | T61-E77 HydrophobicContact CG2-CB 3.92Å; E77-P147 WeakPolarHBondContact O-CA 3.49Å; E77-K148 HydrophobicContact CB-CB 4.17Å; E77-K148 HydrophobicContact CB-CD 4.39Å; E77-K148 WeakPolarHBondContact O-CB 2.83Å; E77-K148 PolarHBondContact O-N 3.45Å; E77-K148 WeakPolarHBondContact OE2-CD 3.27Å; E77-K148 IonicContact OE2-NZ 3.29Å |
| 78 | M | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.2 | -179 | -169.2 | 66.4 | 69.7 | 0 | 0 | 110.4 | T61 K62 T64 V76 H145 I146 P147 | T61-M78 VanDerWaalsContact CA-O 3.29Å; T61-M78 WeakPolarHBondContact CA-O 3.4Å; K62-M78 PolarHBondContact N-O 2.98Å; K62-M78 PolarHBondContact O-N 2.99Å; T64-M78 HydrophobicContact CG2-CB 3.69Å; T64-M78 HydrophobicContact CG2-CG 4.25Å; T64-M78 WeakPolarHBondContact OG1-CB 3.46Å; T64-M78 WeakPolarHBondContact OG1-CE 3.18Å; V76-M78 HydrophobicContact CG2-CE 4.02Å; V76-M78 PolarHBondContact O-N 3.44Å; M78-H145 HydrophobicContact CG-CB 3.83Å; M78-H145 HydrophobicContact SD-CB 3.89Å; M78-I146 PolarHBondContact SD-N 3.06Å; M78-I146 VanDerWaalsContact SD-N 3.4Å; M78-P147 VanDerWaalsContact SD-N 3.39Å |
| 79 | M | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.7 | 176.5 | -50.4 | -177.4 | -63.2 | 0 | 0 | 109.4 | F56 T61 H145 I146 K148 I199 N200 E201 | F56-M79 HydrophobicContact CB-CB 4.32Å; F56-M79 HydrophobicContact CD1-CB 3.61Å; F56-M79 HydrophobicContact CD2-CB 4.42Å; F56-M79 HydrophobicContact CD2-CE 4.29Å; F56-M79 HydrophobicContact CD2-SD 4.4Å; F56-M79 HydrophobicContact CE1-CB 3.94Å; F56-M79 HydrophobicContact CE2-CE 4.09Å; F56-M79 HydrophobicContact CG-CB 3.88Å; F56-M79 HydrophobicContact CZ-CB 4.49Å; F56-M79 HydrophobicContact CZ-CE 4.42Å; T61-M79 HydrophobicContact CG2-CG 4.36Å; M79-H145 WeakPolarHBondContact O-CA 3.24Å; M79-I146 WeakPolarHBondContact CB-O 3.35Å; M79-I146 HydrophobicContact CE-CG2 4.3Å; M79-I146 PolarHBondContact N-O 3.38Å; M79-I146 PolarHBondContact O-N 3.25Å; M79-K148 HydrophobicContact CG-CB 3.93Å; M79-K148 HydrophobicContact SD-CB 3.98Å; M79-K148 HydrophobicContact SD-CG 4.39Å; M79-I199 HydrophobicContact CE-CG2 3.82Å; M79-N200 VanDerWaalsContact SD-CA 3.6Å; M79-E201 HydrophobicContact CG-CG 4.09Å; M79-E201 HydrophobicContact SD-CB 4.36Å; M79-E201 HydrophobicContact SD-CG 3.84Å; M79-E201 PolarHBondContact SD-N 2.84Å |
| 80 | Q | 96.7 | Very high | 94.2 | Very high | 35 Ų | 35 | 59.2 Ų | 59.2 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134 | -172.5 | -56.3 | -176 | -27.2 | 0 | 0 | 111.9 | L60 V144 H145 | L60-Q80 HydrophobicContact CB-CB 4.17Å; L60-Q80 WeakPolarHBondContact O-CG 3.13Å; L60-Q80 PolarHBondContact O-OE1 3.05Å; Q80-V144 WeakPolarHBondContact CA-O 3.26Å; Q80-H145 PolarHBondContact NE2-CE1 3.44Å; Q80-H145 PolarHBondContact NE2-ND1 3.15Å |
| 81 | M | 94.7 | Very high | 94.3 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 160.4 | 165.5 | 78.7 | 165 | 85 | 0 | 0 | 112.8 | A54 F56 K83 F85 V144 | A54-M81 WeakPolarHBondContact O-CE 2.97Å; F56-M81 HydrophobicContact CB-CE 4.12Å; F56-M81 HydrophobicContact CD1-CB 3.97Å; F56-M81 HydrophobicContact CD1-CE 3.46Å; F56-M81 VanDerWaalsContact CD1-CE 3.46Å; F56-M81 HydrophobicContact CD1-CG 4Å; F56-M81 HydrophobicContact CD2-CE 3.4Å; F56-M81 VanDerWaalsContact CD2-CE 3.4Å; F56-M81 HydrophobicContact CE1-CB 4.27Å; F56-M81 HydrophobicContact CE1-CE 3.61Å; F56-M81 HydrophobicContact CE1-CG 3.86Å; F56-M81 HydrophobicContact CE2-CE 3.54Å; F56-M81 HydrophobicContact CG-CE 3.36Å; F56-M81 HydrophobicContact CZ-CE 3.64Å; M81-K83 HydrophobicContact SD-CB 4.09Å; M81-F85 HydrophobicContact CE-CZ 4.27Å; M81-F85 HydrophobicContact CG-CE2 4.15Å; M81-F85 HydrophobicContact SD-CE2 3.58Å; M81-F85 VanDerWaalsContact SD-CE2 3.58Å; M81-F85 HydrophobicContact SD-CZ 3.51Å; M81-F85 VanDerWaalsContact SD-CZ 3.51Å; M81-V144 HydrophobicContact CG-CB 4.33Å; M81-V144 PolarHBondContact N-O 3.41Å; M81-V144 PolarHBondContact O-N 2.86Å |
| 82 | N | 93.7 | Very high | 94.4 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113.6 | 171.9 | -62.9 | -18.7 | 0 | 0 | 0 | 108.7 | V142 E143 | N82-V142 WeakPolarHBondContact CA-O 3.49Å; N82-E143 WeakPolarHBondContact OD1-CA 3.13Å; N82-E143 VanDerWaalsContact OD1-CB 3.32Å; N82-E143 WeakPolarHBondContact OD1-CB 3.47Å; N82-E143 VanDerWaalsContact OD1-CG 3.29Å; N82-E143 WeakPolarHBondContact OD1-CG 3.31Å |
| 83 | K | 92.9 | Very high | 94.4 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 163.3 | -177.4 | -166.1 | 161.5 | -178.7 | 165.4 | 0 | 112.1 | A54 M81 F85 V142 | A54-K83 HydrophobicContact CB-CD 3.62Å; A54-K83 VanDerWaalsContact CB-NZ 3.33Å; M81-K83 HydrophobicContact SD-CB 4.09Å; K83-F85 HydrophobicContact CB-CD2 4.33Å; K83-F85 HydrophobicContact CB-CE2 3.83Å; K83-F85 HydrophobicContact CB-CZ 4.11Å; K83-F85 HydrophobicContact CD-CZ 4.35Å; K83-F85 HydrophobicContact CG-CZ 4.43Å; K83-V142 PolarHBondContact N-O 3.03Å; K83-V142 VanDerWaalsContact N-O 3.11Å; K83-V142 PolarHBondContact O-N 3.4Å |
| 84 | E | 94.3 | Very high | 94.5 | Very high | 127 Ų | 127 | 52.2 Ų | 52.2 | 59% | 0.593 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.7 | 168.2 | -60.3 | -174 | 146 | 0 | 0 | 111.4 | R140 Q141 | E84-R140 VanDerWaalsContact CA-O 3.27Å; E84-R140 WeakPolarHBondContact CA-O 3.44Å; E84-Q141 HydrophobicContact CG-CB 4.35Å |
| 85 | F | 94.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 157.3 | 175.9 | -69.9 | -56.3 | 0 | 0 | 0 | 110.8 | A54 M81 K83 Y87 L96 I98 P99 E139 R140 V144 | A54-F85 HydrophobicContact CB-CZ 4.42Å; M81-F85 HydrophobicContact CE-CZ 4.27Å; M81-F85 HydrophobicContact CG-CE2 4.15Å; M81-F85 HydrophobicContact SD-CE2 3.58Å; M81-F85 VanDerWaalsContact SD-CE2 3.58Å; M81-F85 HydrophobicContact SD-CZ 3.51Å; M81-F85 VanDerWaalsContact SD-CZ 3.51Å; K83-F85 HydrophobicContact CB-CD2 4.33Å; K83-F85 HydrophobicContact CB-CE2 3.83Å; K83-F85 HydrophobicContact CB-CZ 4.11Å; K83-F85 HydrophobicContact CD-CZ 4.35Å; K83-F85 HydrophobicContact CG-CZ 4.43Å; F85-Y87 PolarHBondContact O-N 2.89Å; F85-Y87 VanDerWaalsContact O-N 3.11Å; F85-L96 HydrophobicContact CB-CD1 3.62Å; F85-L96 HydrophobicContact CD2-CD1 4.18Å; F85-L96 HydrophobicContact CG-CD1 4.22Å; F85-I98 HydrophobicContact CE1-CG2 3.96Å; F85-I98 HydrophobicContact CZ-CG2 4.1Å; F85-P99 HydrophobicContact CD1-CG 4.4Å; F85-P99 HydrophobicContact CE1-CG 4.42Å; F85-E139 WeakPolarHBondContact CA-OE2 3.02Å; F85-E139 PolarHBondContact N-OE2 2.85Å; F85-E139 WeakPolarHBondContact O-CA 3.32Å; F85-R140 PolarHBondContact N-O 3.4Å; F85-R140 PolarHBondContact O-N 3.01Å; F85-V144 HydrophobicContact CD2-CG2 3.96Å; F85-V144 HydrophobicContact CE2-CG2 4.16Å |
| 86 | P | 95.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 115.2 | 165.9 | -27.5 | 35.4 | 0 | 0 | 0 | 111.5 | L96 G97 L106 A137 I138 E139 | P86-L96 CarbonylContact O-C 3.6Å; P86-L96 WeakPolarHBondContact O-CA 3.33Å; P86-G97 WeakPolarHBondContact CD-O 3.43Å; P86-G97 PolarHBondContact O-N 2.96Å; P86-L106 HydrophobicContact CG-CD2 3.99Å; P86-A137 HydrophobicContact CB-CB 3.89Å; P86-I138 WeakPolarHBondContact CA-O 3.4Å; P86-E139 WeakPolarHBondContact CD-OE1 3.45Å; P86-E139 WeakPolarHBondContact CD-OE2 2.93Å; P86-E139 VanDerWaalsContact CG-OE1 3.31Å; P86-E139 WeakPolarHBondContact CG-OE1 3.38Å |
| 87 | Y | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 143.2 | 179.6 | 177.5 | -86.6 | 0 | 0 | 0 | 111.8 | F85 E89 Q94 I95 I138 V142 P227 | F85-Y87 PolarHBondContact O-N 2.89Å; F85-Y87 VanDerWaalsContact O-N 3.11Å; Y87-E89 HydrophobicContact CE1-CB 4.16Å; Y87-E89 HydrophobicContact CE1-CG 4.19Å; Y87-E89 PolarHBondContact OH-OE2 3.08Å; Y87-Q94 HydrophobicContact CE2-CB 4.34Å; Y87-Q94 PolarHBondContact OH-NE2 3.3Å; Y87-I95 VanDerWaalsContact CA-O 3.27Å; Y87-I95 WeakPolarHBondContact CA-O 3.47Å; Y87-I95 VanDerWaalsContact CD2-O 3.29Å; Y87-I95 WeakPolarHBondContact CD2-O 3.37Å; Y87-I138 PolarHBondContact N-O 2.84Å; Y87-I138 PolarHBondContact O-N 3.09Å; Y87-I138 VanDerWaalsContact O-N 3.09Å; Y87-V142 HydrophobicContact CD2-CG1 4.16Å; Y87-V142 HydrophobicContact CD2-CG2 3.77Å; Y87-V142 HydrophobicContact CE2-CG1 4.44Å; Y87-V142 HydrophobicContact CG-CG2 3.74Å; Y87-P227 HydrophobicContact CD1-CG 4.22Å; Y87-P227 HydrophobicContact CE1-CB 3.92Å; Y87-P227 HydrophobicContact CE1-CG 3.95Å; Y87-P227 HydrophobicContact CE2-CB 4.39Å |
| 88 | S | 95.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 166.6 | 164.3 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | I95 S136 | S88-I95 PolarHBondContact N-O 2.99Å; S88-I95 PolarHBondContact O-N 3.15Å; S88-S136 PolarHBondContact OG-OG 3.04Å |
| 89 | E | 93.7 | Very high | 94.6 | Very high | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 147.8 | 176.5 | 60.9 | -169.4 | -167.2 | 0 | 0 | 110.3 | Y87 Y93 Q94 | Y87-E89 HydrophobicContact CE1-CB 4.16Å; Y87-E89 HydrophobicContact CE1-CG 4.19Å; Y87-E89 PolarHBondContact OH-OE2 3.08Å; E89-Y93 CarbonylContact C-O 3.57Å; E89-Y93 WeakPolarHBondContact CA-O 3.36Å; E89-Q94 HydrophobicContact CB-CG 4.46Å |
| 90 | T | 90.6 | Very high | 94.4 | Very high | 52 Ų | 52 | 41 Ų | 41 | 32% | 0.319 | 21% | 0.205 | S | C | . | . | trans | -116.6 | 179.2 | 169.2 | 70.8 | 0 | 0 | 0 | 0 | 108.6 | E92 Y93 K113 L133 | T90-E92 PolarHBondContact O-N 2.86Å; T90-E92 PolarHBondContact OG1-N 2.88Å; T90-Y93 PolarHBondContact N-O 3.33Å; T90-Y93 PolarHBondContact OG1-N 3.17Å; T90-K113 VanDerWaalsContact O-CE 3.23Å; T90-K113 WeakPolarHBondContact O-CE 3.24Å; T90-K113 PolarHBondContact O-NZ 2.92Å; T90-L133 HydrophobicContact CG2-CD2 4.1Å | ||
| 91 | D | 90.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 43.7 Ų | 43.7 | 88% | 0.877 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -61.7 | -24 | 173 | -60.2 | -35.1 | 0 | 0 | 0 | 112.8 | K113 | D91-K113 WeakPolarHBondContact O-CD 3.47Š|
| 92 | E | 90.7 | Very high | 93.5 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -103.3 | -31.4 | -176.6 | -56.5 | -166.2 | 55.3 | 0 | 0 | 114.4 | T90 K113 K124 | T90-E92 PolarHBondContact O-N 2.86Å; T90-E92 PolarHBondContact OG1-N 2.88Å; E92-K113 WeakPolarHBondContact O-CB 3.42Å; E92-K113 PolarHBondContact O-N 2.75Å; E92-K124 IonicContact OE1-NZ 2.92Å; E92-K124 PolarHBondContact OE1-NZ 3.08Å; E92-K124 IonicContact OE2-NZ 2.82Å; E92-K124 PolarHBondContact OE2-NZ 2.65Å |
| 93 | Y | 92.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.6 | -165.6 | -38.9 | -53.6 | 0 | 0 | 0 | 112.9 | E89 T90 L111 M121 K124 | E89-Y93 CarbonylContact C-O 3.57Å; E89-Y93 WeakPolarHBondContact CA-O 3.36Å; T90-Y93 PolarHBondContact N-O 3.33Å; T90-Y93 PolarHBondContact OG1-N 3.17Å; Y93-L111 CarbonylContact C-O 3.6Å; Y93-L111 WeakPolarHBondContact CA-O 3.31Å; Y93-M121 HydrophobicContact CD1-CB 4.12Å; Y93-M121 HydrophobicContact CD1-CG 3.69Å; Y93-M121 HydrophobicContact CD1-SD 3.5Å; Y93-M121 WeakPolarHBondContact CD1-SD 3.02Å; Y93-M121 HydrophobicContact CD2-CG 4.46Å; Y93-M121 HydrophobicContact CE1-CB 3.47Å; Y93-M121 VanDerWaalsContact CE1-CB 3.47Å; Y93-M121 HydrophobicContact CE1-CG 3.36Å; Y93-M121 HydrophobicContact CE1-SD 3.84Å; Y93-M121 HydrophobicContact CE2-CG 4.14Å; Y93-M121 HydrophobicContact CG-CG 4.28Å; Y93-M121 HydrophobicContact CG-SD 3.98Å; Y93-K124 WeakPolarHBondContact OH-CD 3.42Å |
| 94 | Q | 96.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 48.9 Ų | 48.9 | 13% | 0.131 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.9 | 163.4 | -61.7 | 178.5 | -85.1 | 0 | 0 | 109.6 | Y87 E89 V110 L111 K113 K228 L229 | Y87-Q94 HydrophobicContact CE2-CB 4.34Å; Y87-Q94 PolarHBondContact OH-NE2 3.3Å; E89-Q94 HydrophobicContact CB-CG 4.46Å; Q94-V110 WeakPolarHBondContact O-CA 3.33Å; Q94-L111 HydrophobicContact CB-CB 4.48Å; Q94-L111 PolarHBondContact N-O 2.68Å; Q94-L111 PolarHBondContact O-N 3.34Å; Q94-K113 HydrophobicContact CG-CG 4.36Å; Q94-K228 PolarHBondContact NE2-O 2.82Å; Q94-L229 HydrophobicContact CB-CD1 4.08Å; Q94-L229 HydrophobicContact CB-CG 4.5Å |
| 95 | I | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.3 | -178 | -56.4 | 91 | 0 | 0 | 0 | 108.5 | Y87 S88 Y108 F109 V110 L133 F134 | Y87-I95 VanDerWaalsContact CA-O 3.27Å; Y87-I95 WeakPolarHBondContact CA-O 3.47Å; Y87-I95 VanDerWaalsContact CD2-O 3.29Å; Y87-I95 WeakPolarHBondContact CD2-O 3.37Å; S88-I95 PolarHBondContact N-O 2.99Å; S88-I95 PolarHBondContact O-N 3.15Å; I95-Y108 HydrophobicContact CG2-CD1 4.15Å; I95-F109 WeakPolarHBondContact CA-O 3.14Å; I95-V110 HydrophobicContact CG1-CG1 4.31Å; I95-V110 HydrophobicContact CG1-CG2 4.47Å; I95-L133 HydrophobicContact CD1-CD2 3.94Å; I95-L133 HydrophobicContact CG1-CB 4.38Å; I95-L133 HydrophobicContact CG1-CD2 4.41Å; I95-F134 HydrophobicContact CG2-CD1 4.32Å |
| 96 | L | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 127.3 | 178.3 | 173.4 | 72.6 | 0 | 0 | 0 | 109.9 | F85 P86 I98 Y108 F109 V142 V144 L229 | F85-L96 HydrophobicContact CB-CD1 3.62Å; F85-L96 HydrophobicContact CD2-CD1 4.18Å; F85-L96 HydrophobicContact CG-CD1 4.22Å; P86-L96 CarbonylContact O-C 3.6Å; P86-L96 WeakPolarHBondContact O-CA 3.33Å; L96-I98 HydrophobicContact CD2-CD1 4.12Å; L96-I98 HydrophobicContact CD2-CG1 4.08Å; L96-I98 HydrophobicContact CG-CG1 4.14Å; L96-Y108 CarbonylContact O-C 3.53Å; L96-Y108 VanDerWaalsContact O-CA 3.26Å; L96-Y108 WeakPolarHBondContact O-CA 3.14Å; L96-F109 PolarHBondContact N-O 3.36Å; L96-F109 PolarHBondContact O-N 2.97Å; L96-V142 HydrophobicContact CD1-CG1 4.44Å; L96-V142 HydrophobicContact CD1-CG2 4.38Å; L96-V144 HydrophobicContact CD1-CG2 4.18Å; L96-V144 HydrophobicContact CD2-CB 4.3Å; L96-V144 HydrophobicContact CD2-CG1 3.64Å; L96-V144 HydrophobicContact CD2-CG2 3.68Å; L96-L229 HydrophobicContact CB-CD1 3.51Å; L96-L229 HydrophobicContact CD2-CD1 4.18Å; L96-L229 HydrophobicContact CG-CD1 4.48Å |
| 97 | G | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | P86 M107 | P86-G97 WeakPolarHBondContact CD-O 3.43Å; P86-G97 PolarHBondContact O-N 2.96Å; G97-M107 CarbonylContact C-O 3.59Å; G97-M107 WeakPolarHBondContact CA-O 3.16Å |
| 98 | I | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.4 | 171.6 | -54 | -175.7 | 0 | 0 | 0 | 108.4 | W52 F56 F85 L96 L106 M107 F109 V144 | W52-I98 HydrophobicContact CD2-CG2 3.94Å; W52-I98 HydrophobicContact CE3-CB 4.16Å; W52-I98 HydrophobicContact CE3-CG2 3.49Å; W52-I98 VanDerWaalsContact CE3-CG2 3.49Å; W52-I98 HydrophobicContact CH2-CB 4.48Å; W52-I98 HydrophobicContact CH2-CG2 4.48Å; W52-I98 HydrophobicContact CZ3-CB 3.93Å; W52-I98 HydrophobicContact CZ3-CG2 3.79Å; F56-I98 HydrophobicContact CE2-CD1 4.42Å; F56-I98 HydrophobicContact CZ-CD1 4.05Å; F85-I98 HydrophobicContact CE1-CG2 3.96Å; F85-I98 HydrophobicContact CZ-CG2 4.1Å; L96-I98 HydrophobicContact CD2-CD1 4.12Å; L96-I98 HydrophobicContact CD2-CG1 4.08Å; L96-I98 HydrophobicContact CG-CG1 4.14Å; I98-L106 WeakPolarHBondContact O-CA 3.5Å; I98-M107 PolarHBondContact N-O 2.87Å; I98-M107 PolarHBondContact O-N 2.84Å; I98-F109 HydrophobicContact CD1-CD2 4.38Å; I98-F109 HydrophobicContact CD1-CE2 3.78Å; I98-F109 HydrophobicContact CG1-CD2 4.41Å; I98-F109 HydrophobicContact CG1-CE2 4.05Å; I98-V144 HydrophobicContact CD1-CG1 4.16Å |
| 99 | P | 94.4 | Very high | 92 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 140.9 | 179.6 | 27.6 | -32.4 | 0 | 0 | 0 | 112.6 | K53 F85 L106 | K53-P99 HydrophobicContact CB-CB 4.27Å; K53-P99 HydrophobicContact CB-CG 4.16Å; K53-P99 WeakPolarHBondContact CB-O 3.4Å; K53-P99 HydrophobicContact CD-CB 4.46Å; K53-P99 HydrophobicContact CD-CG 4.37Å; K53-P99 PolarHBondContact N-O 3.13Å; F85-P99 HydrophobicContact CD1-CG 4.4Å; F85-P99 HydrophobicContact CE1-CG 4.42Å; P99-L106 HydrophobicContact CB-CD1 4.48Å; P99-L106 HydrophobicContact CB-CG 4.2Å |
| 100 | Y | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 166.2 | 164.5 | -64.9 | -76.4 | 0 | 0 | 0 | 110.8 | F48 A50 D51 W52 T102 L105 M107 I239 | F48-Y100 HydrophobicContact CE1-CD1 4.44Å; F48-Y100 AromaticContact CE1-CE1 3.76Å; F48-Y100 HydrophobicContact CE1-CE1 3.76Å; F48-Y100 AromaticContact CE1-CE2 3.84Å; F48-Y100 HydrophobicContact CE1-CE2 3.84Å; F48-Y100 AromaticContact CE1-CZ 3.41Å; F48-Y100 VanDerWaalsContact CE1-CZ 3.41Å; F48-Y100 WeakPolarHBondContact CE1-OH 3.38Å; F48-Y100 HydrophobicContact CZ-CD2 4.19Å; F48-Y100 HydrophobicContact CZ-CE1 4.31Å; F48-Y100 AromaticContact CZ-CE2 3.8Å; F48-Y100 HydrophobicContact CZ-CE2 3.8Å; F48-Y100 AromaticContact CZ-CZ 3.87Å; A50-Y100 HydrophobicContact CB-CD1 3.54Å; A50-Y100 HydrophobicContact CB-CE1 4Å; A50-Y100 HydrophobicContact CB-CG 3.92Å; A50-Y100 WeakPolarHBondContact O-CD1 3.15Å; A50-Y100 WeakPolarHBondContact O-CE1 3.25Å; D51-Y100 CarbonylContact O-C 3.19Å; D51-Y100 VanDerWaalsContact O-CA 3.27Å; D51-Y100 WeakPolarHBondContact O-CA 3.41Å; D51-Y100 WeakPolarHBondContact O-CB 3.37Å; D51-Y100 WeakPolarHBondContact O-CD1 3.48Å; W52-Y100 HydrophobicContact CD2-CD1 4.49Å; W52-Y100 HydrophobicContact CD2-CE1 4.26Å; W52-Y100 AromaticContact CE3-CD1 3.68Å; W52-Y100 HydrophobicContact CE3-CD1 3.68Å; W52-Y100 AromaticContact CE3-CE1 3.49Å; W52-Y100 HydrophobicContact CE3-CE1 3.49Å; W52-Y100 VanDerWaalsContact CE3-CE1 3.49Å; W52-Y100 HydrophobicContact CE3-CG 4.36Å; W52-Y100 AromaticContact CH2-CE1 3.91Å; W52-Y100 HydrophobicContact CH2-CE1 3.91Å; W52-Y100 AromaticContact CH2-CZ 3.87Å; W52-Y100 AromaticContact CZ3-CD1 3.89Å; W52-Y100 HydrophobicContact CZ3-CD1 3.89Å; W52-Y100 AromaticContact CZ3-CE1 3.3Å; W52-Y100 HydrophobicContact CZ3-CE1 3.3Å; W52-Y100 HydrophobicContact CZ3-CE2 4.01Å; W52-Y100 HydrophobicContact CZ3-CG 4.47Å; W52-Y100 AromaticContact CZ3-CZ 3.37Å; Y100-T102 CarbonylContact O-C 3.5Å; Y100-T102 PolarHBondContact O-N 3.2Å; Y100-L105 HydrophobicContact CD2-CB 3.87Å; Y100-L105 WeakPolarHBondContact CD2-O 3.43Å; Y100-L105 PolarHBondContact N-O 3.12Å; Y100-M107 HydrophobicContact CE2-CB 3.81Å; Y100-I239 HydrophobicContact CE2-CG1 4.44Å; Y100-I239 HydrophobicContact CE2-CG2 4.19Å |
| 101 | V | 88.9 | Confident | 92.4 | Very high | 93 Ų | 93 | 36.7 Ų | 36.7 | 56% | 0.564 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -53.9 | -36.1 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | D51 E103 | D51-V101 HydrophobicContact CB-CG2 3.96Å; D51-V101 PolarHBondContact O-N 2.95Å; V101-E103 PolarHBondContact O-N 3.01Å; V101-E103 VanDerWaalsContact O-N 3.09Å |
| 102 | T | 82.9 | Confident | 92.7 | Very high | 82 Ų | 82 | 29 Ų | 29 | 50% | 0.503 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -70.7 | 96.9 | 164.9 | -54.1 | 0 | 0 | 0 | 0 | 109 | Y100 K104 L105 | Y100-T102 CarbonylContact O-C 3.5Å; Y100-T102 PolarHBondContact O-N 3.2Å; T102-K104 PolarHBondContact O-N 3.41Å; T102-L105 HydrophobicContact CG2-CD1 4.16Å; T102-L105 HydrophobicContact CG2-CG 4.02Å; T102-L105 PolarHBondContact O-N 2.99Å |
| 103 | E | 72.6 | Confident | 92.9 | Very high | 132 Ų | 132 | 29.8 Ų | 29.8 | 62% | 0.617 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.6 | -168.1 | -54.9 | -162.6 | 127 | 0 | 0 | 115.9 | K53 V101 L105 | K53-E103 IonicContact NZ-OE1 2.62Å; K53-E103 PolarHBondContact NZ-OE1 2.91Å; V101-E103 PolarHBondContact O-N 3.01Å; V101-E103 VanDerWaalsContact O-N 3.09Å; E103-L105 VanDerWaalsContact C-N 3.34Å |
| 104 | K | 86.3 | Confident | 93 | Very high | 112 Ų | 112 | 35.1 Ų | 35.1 | 49% | 0.487 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -24.4 | 175.2 | -55.4 | -170.2 | 175.1 | -177.1 | 0 | 113.3 | T102 D241 R242 S243 | T102-K104 PolarHBondContact O-N 3.41Å; K104-D241 CarbonylContact O-C 3.51Å; K104-D241 WeakPolarHBondContact O-CA 3.43Å; K104-R242 PolarHBondContact O-N 3Å; K104-S243 WeakPolarHBondContact CG-OG 3.42Å |
| 105 | L | 91.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122.1 | -175.1 | -60.2 | -176.3 | 0 | 0 | 0 | 110.6 | Y100 T102 E103 M240 D241 L248 | Y100-L105 HydrophobicContact CD2-CB 3.87Å; Y100-L105 WeakPolarHBondContact CD2-O 3.43Å; Y100-L105 PolarHBondContact N-O 3.12Å; T102-L105 HydrophobicContact CG2-CD1 4.16Å; T102-L105 HydrophobicContact CG2-CG 4.02Å; T102-L105 PolarHBondContact O-N 2.99Å; E103-L105 VanDerWaalsContact C-N 3.34Å; L105-M240 WeakPolarHBondContact CA-O 3.28Å; L105-D241 HydrophobicContact CD2-CB 3.95Å; L105-L248 HydrophobicContact CD2-CD1 3.72Å |
| 106 | L | 94.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.6 | 171.9 | -76.2 | 72.6 | 0 | 0 | 0 | 109.5 | P86 I98 P99 Y108 I239 M240 R242 | P86-L106 HydrophobicContact CG-CD2 3.99Å; I98-L106 WeakPolarHBondContact O-CA 3.5Å; P99-L106 HydrophobicContact CB-CD1 4.48Å; P99-L106 HydrophobicContact CB-CG 4.2Å; L106-Y108 HydrophobicContact CB-CD2 4.08Å; L106-Y108 HydrophobicContact CB-CE2 3.74Å; L106-Y108 HydrophobicContact CD2-CE2 4.08Å; L106-I239 WeakPolarHBondContact O-CA 3.47Å; L106-M240 PolarHBondContact N-O 2.94Å; L106-M240 PolarHBondContact O-N 3.01Å; L106-R242 HydrophobicContact CD1-CB 4.12Å |
| 107 | M | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.4 | 160.3 | -172.2 | 165.7 | 179.4 | 0 | 0 | 109.2 | W52 G97 I98 Y100 F109 F149 I197 I199 F237 A238 I239 | W52-M107 HydrophobicContact CH2-CB 3.8Å; W52-M107 HydrophobicContact CH2-CG 4.3Å; W52-M107 HydrophobicContact CH2-SD 3.69Å; W52-M107 HydrophobicContact CZ3-CB 3.74Å; G97-M107 CarbonylContact C-O 3.59Å; G97-M107 WeakPolarHBondContact CA-O 3.16Å; I98-M107 PolarHBondContact N-O 2.87Å; I98-M107 PolarHBondContact O-N 2.84Å; Y100-M107 HydrophobicContact CE2-CB 3.81Å; M107-F109 HydrophobicContact CB-CE2 4.27Å; M107-F109 HydrophobicContact CE-CE1 3.74Å; M107-F109 HydrophobicContact CE-CZ 3.69Å; M107-F109 HydrophobicContact CG-CE2 3.83Å; M107-F109 HydrophobicContact CG-CZ 3.9Å; M107-F109 HydrophobicContact SD-CE1 4.36Å; M107-F109 HydrophobicContact SD-CE2 4.19Å; M107-F109 HydrophobicContact SD-CZ 3.69Å; M107-F149 HydrophobicContact CE-CZ 4.1Å; M107-I197 HydrophobicContact CE-CD1 4.44Å; M107-I199 HydrophobicContact CE-CD1 3.88Å; M107-I199 HydrophobicContact CE-CG1 4.06Å; M107-I199 HydrophobicContact SD-CD1 3.38Å; M107-I199 WeakPolarHBondContact SD-CD1 3.21Å; M107-I199 HydrophobicContact SD-CG1 4.18Å; M107-F237 HydrophobicContact CE-CB 3.54Å; M107-F237 HydrophobicContact CE-CD2 3.58Å; M107-F237 HydrophobicContact CE-CE2 4.47Å; M107-F237 HydrophobicContact CE-CG 3.67Å; M107-A238 CarbonylContact C-O 3.56Å; M107-A238 VanDerWaalsContact CA-O 3.3Å; M107-A238 WeakPolarHBondContact CA-O 3.45Å; M107-I239 HydrophobicContact CB-CG1 4.48Å; M107-I239 HydrophobicContact CG-CG1 4.32Å |
| 108 | Y | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 139.5 | 172.4 | -74.2 | -89.1 | 0 | 0 | 0 | 111.1 | I95 L96 L106 F134 A137 F237 A238 M240 | I95-Y108 HydrophobicContact CG2-CD1 4.15Å; L96-Y108 CarbonylContact O-C 3.53Å; L96-Y108 VanDerWaalsContact O-CA 3.26Å; L96-Y108 WeakPolarHBondContact O-CA 3.14Å; L106-Y108 HydrophobicContact CB-CD2 4.08Å; L106-Y108 HydrophobicContact CB-CE2 3.74Å; L106-Y108 HydrophobicContact CD2-CE2 4.08Å; Y108-F134 HydrophobicContact CD1-CB 4.17Å; Y108-F134 AromaticContact CD1-CD1 3.45Å; Y108-F134 HydrophobicContact CD1-CD1 3.45Å; Y108-F134 VanDerWaalsContact CD1-CD1 3.45Å; Y108-F134 HydrophobicContact CD1-CE1 4.03Å; Y108-F134 AromaticContact CD1-CG 3.94Å; Y108-F134 HydrophobicContact CD1-CG 3.94Å; Y108-F134 HydrophobicContact CD2-CB 4.41Å; Y108-F134 HydrophobicContact CD2-CD1 4.09Å; Y108-F134 HydrophobicContact CD2-CD2 4.2Å; Y108-F134 HydrophobicContact CD2-CE1 4.39Å; Y108-F134 HydrophobicContact CD2-CE2 4.46Å; Y108-F134 AromaticContact CD2-CG 3.99Å; Y108-F134 HydrophobicContact CD2-CG 3.99Å; Y108-F134 HydrophobicContact CE1-CB 3.79Å; Y108-F134 AromaticContact CE1-CD1 3.98Å; Y108-F134 HydrophobicContact CE1-CD1 3.98Å; Y108-F134 HydrophobicContact CE1-CG 4.08Å; Y108-F134 HydrophobicContact CE2-CB 4.07Å; Y108-F134 HydrophobicContact CE2-CD2 4.47Å; Y108-F134 HydrophobicContact CE2-CG 4.14Å; Y108-F134 HydrophobicContact CG-CB 4.45Å; Y108-F134 AromaticContact CG-CD1 3.49Å; Y108-F134 HydrophobicContact CG-CD1 3.49Å; Y108-F134 VanDerWaalsContact CG-CD1 3.49Å; Y108-F134 HydrophobicContact CG-CD2 4.39Å; Y108-F134 AromaticContact CG-CE1 3.7Å; Y108-F134 HydrophobicContact CG-CE1 3.7Å; Y108-F134 AromaticContact CG-CG 3.87Å; Y108-F134 HydrophobicContact CG-CG 3.87Å; Y108-F134 HydrophobicContact CG-CZ 4.22Å; Y108-F134 PolarHBondContact OH-O 2.89Å; Y108-A137 HydrophobicContact CE1-CB 4.31Å; Y108-F237 CarbonylContact O-C 3.58Å; Y108-F237 WeakPolarHBondContact O-CA 3.37Å; Y108-A238 PolarHBondContact N-O 2.92Å; Y108-A238 PolarHBondContact O-N 3.35Å; Y108-M240 HydrophobicContact CD2-CB 4.11Å; Y108-M240 HydrophobicContact CD2-SD 4.36Å; Y108-M240 HydrophobicContact CE2-CB 4.17Å; Y108-M240 HydrophobicContact CE2-SD 3.88Å |
| 109 | F | 96.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.9 | 169.1 | -60.3 | -94.6 | 0 | 0 | 0 | 107.7 | I95 L96 I98 M107 I146 F235 F237 | I95-F109 WeakPolarHBondContact CA-O 3.14Å; L96-F109 PolarHBondContact N-O 3.36Å; L96-F109 PolarHBondContact O-N 2.97Å; I98-F109 HydrophobicContact CD1-CD2 4.38Å; I98-F109 HydrophobicContact CD1-CE2 3.78Å; I98-F109 HydrophobicContact CG1-CD2 4.41Å; I98-F109 HydrophobicContact CG1-CE2 4.05Å; M107-F109 HydrophobicContact CB-CE2 4.27Å; M107-F109 HydrophobicContact CE-CE1 3.74Å; M107-F109 HydrophobicContact CE-CZ 3.69Å; M107-F109 HydrophobicContact CG-CE2 3.83Å; M107-F109 HydrophobicContact CG-CZ 3.9Å; M107-F109 HydrophobicContact SD-CE1 4.36Å; M107-F109 HydrophobicContact SD-CE2 4.19Å; M107-F109 HydrophobicContact SD-CZ 3.69Å; F109-I146 HydrophobicContact CD1-CD1 3.78Å; F109-I146 HydrophobicContact CD1-CG2 4.39Å; F109-I146 HydrophobicContact CD2-CD1 4.32Å; F109-I146 HydrophobicContact CE1-CD1 4Å; F109-I146 HydrophobicContact CE1-CG1 4.38Å; F109-I146 HydrophobicContact CE1-CG2 3.59Å; F109-I146 HydrophobicContact CG-CD1 3.95Å; F109-I146 HydrophobicContact CZ-CD1 4.37Å; F109-I146 HydrophobicContact CZ-CG1 4.36Å; F109-I146 HydrophobicContact CZ-CG2 3.81Å; F109-F235 AromaticContact CD1-CD2 3.97Å; F109-F235 HydrophobicContact CD1-CD2 3.97Å; F109-F235 AromaticContact CD1-CE2 3.75Å; F109-F235 HydrophobicContact CD1-CE2 3.75Å; F109-F235 HydrophobicContact CD1-CZ 4.48Å; F109-F235 HydrophobicContact CE1-CE2 4Å; F109-F237 HydrophobicContact CD1-CB 4.38Å |
| 110 | V | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 105.4 | 172.9 | -171.8 | 0 | 0 | 0 | 0 | 107.3 | Q94 I95 M121 L130 F134 L236 | Q94-V110 WeakPolarHBondContact O-CA 3.33Å; I95-V110 HydrophobicContact CG1-CG1 4.31Å; I95-V110 HydrophobicContact CG1-CG2 4.47Å; V110-M121 HydrophobicContact CB-CE 3.98Å; V110-M121 HydrophobicContact CG1-CE 3.67Å; V110-M121 HydrophobicContact CG1-SD 3.63Å; V110-L130 HydrophobicContact CG2-CD1 4.29Å; V110-F134 HydrophobicContact CG2-CE1 3.73Å; V110-L236 HydrophobicContact CB-CB 4.33Å; V110-L236 HydrophobicContact CB-CD2 4.16Å; V110-L236 HydrophobicContact CG2-CD2 3.92Å; V110-L236 PolarHBondContact N-O 2.83Å; V110-L236 PolarHBondContact O-N 2.91Å |
| 111 | L | 97 | Very high | 91 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.2 | -174 | -176.3 | 70.6 | 0 | 0 | 0 | 109.4 | Y93 Q94 L229 I230 A231 H233 F235 | Y93-L111 CarbonylContact C-O 3.6Å; Y93-L111 WeakPolarHBondContact CA-O 3.31Å; Q94-L111 HydrophobicContact CB-CB 4.48Å; Q94-L111 PolarHBondContact N-O 2.68Å; Q94-L111 PolarHBondContact O-N 3.34Å; L111-L229 HydrophobicContact CB-CD1 4.45Å; L111-L229 HydrophobicContact CB-CG 4.46Å; L111-L229 HydrophobicContact CD2-CD2 3.82Å; L111-L229 HydrophobicContact CD2-CG 3.82Å; L111-I230 VanDerWaalsContact CD2-O 3.31Å; L111-I230 WeakPolarHBondContact CD2-O 3.38Å; L111-A231 HydrophobicContact CD1-CB 4.24Å; L111-H233 VanDerWaalsContact CD1-CE1 3.48Å; L111-H233 WeakPolarHBondContact CD1-CE1 3.19Å; L111-H233 WeakPolarHBondContact CD1-NE2 3.41Å; L111-F235 HydrophobicContact CD1-CB 3.83Å |
| 112 | P | 95.9 | Very high | 91 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 145.3 | 168.1 | -22.8 | 34.1 | 0 | 0 | 0 | 112.4 | E114 L118 M121 H233 P234 | P112-E114 VanDerWaalsContact C-N 3.34Å; P112-E114 WeakPolarHBondContact CB-O 3.28Å; P112-L118 HydrophobicContact CG-CB 3.98Å; P112-L118 HydrophobicContact CG-CD1 4.21Å; P112-M121 HydrophobicContact CG-SD 3.95Å; P112-H233 PolarHBondContact O-CE1 2.72Å; P112-H233 VanDerWaalsContact O-CE1 3.27Å; P112-H233 PolarHBondContact O-NE2 3.07Å; P112-P234 WeakPolarHBondContact CD-O 3.31Å |
| 113 | K | 95.2 | Very high | 91.2 | Very high | 96 Ų | 96 | 51.3 Ų | 51.3 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.5 | -27.8 | 168.6 | -73.6 | 179.2 | 168.1 | 179.6 | 0 | 111.8 | T90 D91 E92 Q94 | T90-K113 VanDerWaalsContact O-CE 3.23Å; T90-K113 WeakPolarHBondContact O-CE 3.24Å; T90-K113 PolarHBondContact O-NZ 2.92Å; D91-K113 WeakPolarHBondContact O-CD 3.47Å; E92-K113 WeakPolarHBondContact O-CB 3.42Å; E92-K113 PolarHBondContact O-N 2.75Å; Q94-K113 HydrophobicContact CG-CG 4.36Å |
| 114 | E | 93.8 | Very high | 91.8 | Very high | 132 Ų | 132 | 49.5 Ų | 49.5 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -85.1 | 122.6 | 169.5 | -65.8 | -179.1 | 170.8 | 0 | 0 | 110.8 | P112 F116 G117 | P112-E114 VanDerWaalsContact C-N 3.34Å; P112-E114 WeakPolarHBondContact CB-O 3.28Å; E114-F116 PolarHBondContact O-N 2.88Å; E114-G117 PolarHBondContact O-N 2.93Å |
| 115 | K | 91.2 | Very high | 91.7 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -31.5 | -176.1 | -69.9 | -167.9 | 172.3 | -164.7 | 0 | 115.7 | Y67 D232 H233 | Y67-K115 HydrophobicContact CD2-CD 4.12Å; Y67-K115 VanDerWaalsContact CD2-NZ 3.3Å; Y67-K115 HydrophobicContact CG-CD 4.19Å; K115-D232 IonicContact NZ-OD2 3.68Å; K115-H233 HydrophobicContact CB-CB 4.27Å; K115-H233 WeakPolarHBondContact O-CB 3.41Å; K115-H233 PolarHBondContact O-CD2 3.07Å |
| 116 | F | 90.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 13 | -179.8 | -50.3 | -52.1 | 0 | 0 | 0 | 113.1 | K69 Q70 E114 L118 | K69-F116 VanDerWaalsContact CA-CE1 3.44Å; K69-F116 WeakPolarHBondContact O-CZ 3.49Å; Q70-F116 HydrophobicContact CB-CD2 4.39Å; Q70-F116 HydrophobicContact CB-CE2 4.1Å; E114-F116 PolarHBondContact O-N 2.88Å; F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 PolarHBondContact O-N 3.5Å |
| 117 | G | 91.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E114 K119 N120 M121 | E114-G117 PolarHBondContact O-N 2.93Å; G117-K119 PolarHBondContact O-N 3.46Å; G117-K119 VanDerWaalsContact O-N 3.12Å; G117-N120 WeakPolarHBondContact O-CA 3.38Å; G117-N120 WeakPolarHBondContact O-CB 3.37Å; G117-N120 PolarHBondContact O-N 3.36Å; G117-M121 PolarHBondContact O-N 3.05Å |
| 118 | L | 90.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -38.8 | -173.7 | -177.1 | 60.9 | 0 | 0 | 0 | 113.2 | P112 F116 N120 M121 M122 P234 L236 V252 Y254 | P112-L118 HydrophobicContact CG-CB 3.98Å; P112-L118 HydrophobicContact CG-CD1 4.21Å; F116-L118 VanDerWaalsContact C-N 3.28Å; F116-L118 PolarHBondContact O-N 3.5Å; L118-N120 PolarHBondContact O-N 3.27Å; L118-M121 HydrophobicContact CD1-CE 3.44Å; L118-M121 VanDerWaalsContact CD1-CE 3.44Å; L118-M121 HydrophobicContact CD1-SD 4.36Å; L118-M121 PolarHBondContact O-N 3.47Å; L118-M122 HydrophobicContact CD1-CG 4.33Å; L118-M122 HydrophobicContact CG-CE 4.11Å; L118-M122 HydrophobicContact CG-SD 4.43Å; L118-M122 WeakPolarHBondContact O-CB 3.22Å; L118-M122 VanDerWaalsContact O-CG 3.27Å; L118-M122 WeakPolarHBondContact O-CG 3.4Å; L118-M122 PolarHBondContact O-N 3.05Å; L118-P234 HydrophobicContact CB-CB 4.12Å; L118-P234 HydrophobicContact CD2-CB 3.53Å; L118-P234 HydrophobicContact CG-CB 4.44Å; L118-L236 HydrophobicContact CD1-CB 4.21Å; L118-V252 HydrophobicContact CD2-CB 4.15Å; L118-V252 HydrophobicContact CD2-CG1 4.05Å; L118-Y254 HydrophobicContact CD2-CD2 4.49Å; L118-Y254 HydrophobicContact CD2-CE1 4.34Å; L118-Y254 HydrophobicContact CD2-CE2 3.73Å |
| 119 | K | 88.7 | Confident | 90 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 177.2 | -170.9 | -176.2 | 175.8 | -169.3 | 0 | 112.2 | G117 M122 T123 | G117-K119 PolarHBondContact O-N 3.46Å; G117-K119 VanDerWaalsContact O-N 3.12Å; K119-M122 PolarHBondContact O-N 3.37Å; K119-T123 PolarHBondContact O-N 3.31Å |
| 120 | N | 88.9 | Confident | 89.6 | Confident | 91 Ų | 91 | 59.8 Ų | 59.8 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -74.9 | -33.8 | 179 | -65.6 | -11.9 | 0 | 0 | 0 | 111.7 | G117 L118 T123 K124 | G117-N120 WeakPolarHBondContact O-CA 3.38Å; G117-N120 WeakPolarHBondContact O-CB 3.37Å; G117-N120 PolarHBondContact O-N 3.36Å; L118-N120 PolarHBondContact O-N 3.27Å; N120-T123 PolarHBondContact O-OG1 3.43Å; N120-K124 WeakPolarHBondContact O-CG 3.33Å |
| 121 | M | 89.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 169.1 | -179.3 | 178.4 | 102.1 | 0 | 0 | 110.8 | Y93 V110 P112 G117 L118 T123 K124 L125 L236 | Y93-M121 HydrophobicContact CD1-CB 4.12Å; Y93-M121 HydrophobicContact CD1-CG 3.69Å; Y93-M121 HydrophobicContact CD1-SD 3.5Å; Y93-M121 WeakPolarHBondContact CD1-SD 3.02Å; Y93-M121 HydrophobicContact CD2-CG 4.46Å; Y93-M121 HydrophobicContact CE1-CB 3.47Å; Y93-M121 VanDerWaalsContact CE1-CB 3.47Å; Y93-M121 HydrophobicContact CE1-CG 3.36Å; Y93-M121 HydrophobicContact CE1-SD 3.84Å; Y93-M121 HydrophobicContact CE2-CG 4.14Å; Y93-M121 HydrophobicContact CG-CG 4.28Å; Y93-M121 HydrophobicContact CG-SD 3.98Å; V110-M121 HydrophobicContact CB-CE 3.98Å; V110-M121 HydrophobicContact CG1-CE 3.67Å; V110-M121 HydrophobicContact CG1-SD 3.63Å; P112-M121 HydrophobicContact CG-SD 3.95Å; G117-M121 PolarHBondContact O-N 3.05Å; L118-M121 HydrophobicContact CD1-CE 3.44Å; L118-M121 VanDerWaalsContact CD1-CE 3.44Å; L118-M121 HydrophobicContact CD1-SD 4.36Å; L118-M121 PolarHBondContact O-N 3.47Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.41Å; M121-K124 PolarHBondContact O-N 3.39Å; M121-L125 HydrophobicContact CE-CD1 3.84Å; M121-L125 HydrophobicContact CG-CD1 3.75Å; M121-L125 HydrophobicContact CG-CG 4.17Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.98Å; M121-L125 VanDerWaalsContact O-N 3.07Å; M121-L125 HydrophobicContact SD-CD1 4.43Å; M121-L236 HydrophobicContact CE-CB 3.53Å; M121-L236 HydrophobicContact CE-CD1 4.37Å |
| 122 | M | 87.5 | Confident | 89 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 15% | 0.148 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -31.8 | -177.6 | -80 | -170 | -58 | 0 | 0 | 114.2 | L118 K119 K124 V252 L267 | L118-M122 HydrophobicContact CD1-CG 4.33Å; L118-M122 HydrophobicContact CG-CE 4.11Å; L118-M122 HydrophobicContact CG-SD 4.43Å; L118-M122 WeakPolarHBondContact O-CB 3.22Å; L118-M122 VanDerWaalsContact O-CG 3.27Å; L118-M122 WeakPolarHBondContact O-CG 3.4Å; L118-M122 PolarHBondContact O-N 3.05Å; K119-M122 PolarHBondContact O-N 3.37Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-V252 HydrophobicContact SD-CG1 3.68Å; M122-L267 HydrophobicContact CB-CD1 3.64Å; M122-L267 HydrophobicContact CG-CD1 3.81Å; M122-L267 HydrophobicContact SD-CB 4.32Å; M122-L267 HydrophobicContact SD-CD1 3.6Å |
| 123 | T | 87.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 64.4 Ų | 64.4 | 70% | 0.699 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.2 | -20.3 | 175.2 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | K119 N120 M121 | K119-T123 PolarHBondContact O-N 3.31Å; N120-T123 PolarHBondContact O-OG1 3.43Å; M121-T123 VanDerWaalsContact C-N 3.3Å; M121-T123 PolarHBondContact O-N 3.41Å |
| 124 | K | 85.5 | Confident | 88.6 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 41% | 0.409 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -90.4 | -23.3 | 178 | -68.8 | 173.1 | 174.3 | -171.1 | 0 | 113.2 | E92 Y93 N120 M121 M122 K129 | E92-K124 IonicContact OE1-NZ 2.92Å; E92-K124 PolarHBondContact OE1-NZ 3.08Å; E92-K124 IonicContact OE2-NZ 2.82Å; E92-K124 PolarHBondContact OE2-NZ 2.65Å; Y93-K124 WeakPolarHBondContact OH-CD 3.42Å; N120-K124 WeakPolarHBondContact O-CG 3.33Å; M121-K124 PolarHBondContact O-N 3.39Å; M122-K124 VanDerWaalsContact C-N 3.33Å; K124-K129 WeakPolarHBondContact O-CD 3.5Å; K124-K129 PolarHBondContact O-NZ 3.25Å |
| 125 | L | 84.1 | Confident | 88.5 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | trans | -78.5 | 150.9 | -179 | -73.5 | 175.5 | 0 | 0 | 0 | 112.9 | M121 K129 L133 L236 | M121-L125 HydrophobicContact CE-CD1 3.84Å; M121-L125 HydrophobicContact CG-CD1 3.75Å; M121-L125 HydrophobicContact CG-CG 4.17Å; M121-L125 WeakPolarHBondContact O-CG 3.34Å; M121-L125 PolarHBondContact O-N 2.98Å; M121-L125 VanDerWaalsContact O-N 3.07Å; M121-L125 HydrophobicContact SD-CD1 4.43Å; L125-K129 HydrophobicContact CD2-CB 4.44Å; L125-L133 HydrophobicContact CD2-CD1 3.65Å; L125-L236 HydrophobicContact CD1-CD1 4.22Å | ||
| 126 | N | 83.8 | Confident | 88.5 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | trans | -148.2 | 171.9 | 165.3 | 66.3 | 40.8 | 0 | 0 | 0 | 108.6 | K128 K129 L130 | N126-K128 VanDerWaalsContact C-N 3.28Å; N126-K128 PolarHBondContact O-N 3.48Å; N126-K128 PolarHBondContact OD1-N 3.48Å; N126-K128 VanDerWaalsContact OD1-N 3.08Å; N126-K129 PolarHBondContact O-N 2.64Å; N126-K129 PolarHBondContact OD1-N 3.05Å; N126-L130 WeakPolarHBondContact O-CB 3.31Å; N126-L130 PolarHBondContact O-N 3.31Å | ||
| 127 | A | 82.5 | Confident | 88.6 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.2 | -39.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L131 | A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 3.42Å; A127-L131 VanDerWaalsContact O-N 3.16Å |
| 128 | K | 87 | Confident | 88.7 | Confident | 136 Ų | 136 | 55.4 Ų | 55.4 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.3 | -53.2 | 176.9 | -168.3 | -156.2 | 176.9 | -60.1 | 0 | 110.9 | N126 L130 L131 D132 | N126-K128 VanDerWaalsContact C-N 3.28Å; N126-K128 PolarHBondContact O-N 3.48Å; N126-K128 PolarHBondContact OD1-N 3.48Å; N126-K128 VanDerWaalsContact OD1-N 3.08Å; K128-L130 PolarHBondContact O-N 2.91Å; K128-L131 PolarHBondContact O-N 2.82Å; K128-L131 VanDerWaalsContact O-N 3.14Å; K128-D132 IonicContact NZ-OD1 2.84Å; K128-D132 PolarHBondContact NZ-OD1 2.97Å; K128-D132 IonicContact NZ-OD2 3.68Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 PolarHBondContact O-N 3.2Å |
| 129 | K | 87.4 | Confident | 88.9 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 179.3 | -72.8 | -176.8 | 178.1 | -174.6 | 0 | 112.2 | K124 L125 N126 D132 L133 | K124-K129 WeakPolarHBondContact O-CD 3.5Å; K124-K129 PolarHBondContact O-NZ 3.25Å; L125-K129 HydrophobicContact CD2-CB 4.44Å; N126-K129 PolarHBondContact O-N 2.64Å; N126-K129 PolarHBondContact OD1-N 3.05Å; K129-D132 PolarHBondContact O-N 3.03Å; K129-L133 WeakPolarHBondContact O-CB 3.45Å; K129-L133 VanDerWaalsContact O-CG 3.28Å; K129-L133 WeakPolarHBondContact O-CG 3.42Å; K129-L133 PolarHBondContact O-N 2.79Å |
| 130 | L | 88.3 | Confident | 89.1 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 178.2 | -172.9 | 66.2 | 0 | 0 | 0 | 111.5 | V110 N126 K128 L133 F134 L236 M271 | V110-L130 HydrophobicContact CG2-CD1 4.29Å; N126-L130 WeakPolarHBondContact O-CB 3.31Å; N126-L130 PolarHBondContact O-N 3.31Å; K128-L130 PolarHBondContact O-N 2.91Å; L130-L133 PolarHBondContact O-N 3.1Å; L130-F134 HydrophobicContact CD1-CE1 3.79Å; L130-F134 HydrophobicContact CD1-CE2 4.1Å; L130-F134 HydrophobicContact CD1-CZ 3.47Å; L130-F134 VanDerWaalsContact CD1-CZ 3.47Å; L130-F134 HydrophobicContact CD2-CE2 4.07Å; L130-F134 HydrophobicContact CD2-CZ 4.05Å; L130-F134 HydrophobicContact CG-CD2 4.36Å; L130-F134 HydrophobicContact CG-CE1 4.23Å; L130-F134 HydrophobicContact CG-CE2 3.63Å; L130-F134 HydrophobicContact CG-CZ 3.55Å; L130-F134 WeakPolarHBondContact O-CD2 3.18Å; L130-F134 VanDerWaalsContact O-CG 3.25Å; L130-F134 WeakPolarHBondContact O-CG 3.23Å; L130-F134 PolarHBondContact O-N 3.25Å; L130-F134 VanDerWaalsContact O-N 3.09Å; L130-L236 HydrophobicContact CD1-CD2 4.06Å; L130-M271 HydrophobicContact CD2-CE 3.76Å; L130-M271 HydrophobicContact CD2-SD 4.02Å |
| 131 | L | 90.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 172.9 | -68 | 171.3 | 0 | 0 | 0 | 111.8 | A127 K128 L133 F134 D135 M240 V247 | A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 3.42Å; A127-L131 VanDerWaalsContact O-N 3.16Å; K128-L131 PolarHBondContact O-N 2.82Å; K128-L131 VanDerWaalsContact O-N 3.14Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 PolarHBondContact O-N 3.12Å; L131-F134 PolarHBondContact O-N 3.09Å; L131-F134 VanDerWaalsContact O-N 3.12Å; L131-D135 WeakPolarHBondContact O-CB 3.47Å; L131-D135 PolarHBondContact O-N 2.63Å; L131-M240 HydrophobicContact CD2-CE 3.52Å; L131-M240 HydrophobicContact CD2-SD 4.27Å; L131-V247 HydrophobicContact CD2-CG2 4.25Å |
| 132 | D | 90.5 | Very high | 89.7 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 175.7 | -58.5 | -32.2 | 0 | 0 | 0 | 111.3 | K128 K129 S136 | K128-D132 IonicContact NZ-OD1 2.84Å; K128-D132 PolarHBondContact NZ-OD1 2.97Å; K128-D132 IonicContact NZ-OD2 3.68Å; K128-D132 PolarHBondContact NZ-OD2 2.89Å; K128-D132 PolarHBondContact O-N 3.2Å; K129-D132 PolarHBondContact O-N 3.03Å; D132-S136 WeakPolarHBondContact O-CB 3.17Å; D132-S136 PolarHBondContact O-N 2.86Å |
| 133 | L | 90.8 | Very high | 90.1 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.2 | -75 | 175.4 | 0 | 0 | 0 | 112 | T90 I95 L125 K129 L130 L131 S136 | T90-L133 HydrophobicContact CG2-CD2 4.1Å; I95-L133 HydrophobicContact CD1-CD2 3.94Å; I95-L133 HydrophobicContact CG1-CB 4.38Å; I95-L133 HydrophobicContact CG1-CD2 4.41Å; L125-L133 HydrophobicContact CD2-CD1 3.65Å; K129-L133 WeakPolarHBondContact O-CB 3.45Å; K129-L133 VanDerWaalsContact O-CG 3.28Å; K129-L133 WeakPolarHBondContact O-CG 3.42Å; K129-L133 PolarHBondContact O-N 2.79Å; L130-L133 PolarHBondContact O-N 3.1Å; L131-L133 VanDerWaalsContact C-N 3.26Å; L131-L133 PolarHBondContact O-N 3.12Å; L133-S136 PolarHBondContact O-N 2.9Å; L133-S136 PolarHBondContact O-OG 2.88Å |
| 134 | F | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 178.1 | -62 | -21.6 | 0 | 0 | 0 | 113.2 | I95 Y108 V110 L130 L131 S136 A238 M240 | I95-F134 HydrophobicContact CG2-CD1 4.32Å; Y108-F134 HydrophobicContact CD1-CB 4.17Å; Y108-F134 AromaticContact CD1-CD1 3.45Å; Y108-F134 HydrophobicContact CD1-CD1 3.45Å; Y108-F134 VanDerWaalsContact CD1-CD1 3.45Å; Y108-F134 HydrophobicContact CD1-CE1 4.03Å; Y108-F134 AromaticContact CD1-CG 3.94Å; Y108-F134 HydrophobicContact CD1-CG 3.94Å; Y108-F134 HydrophobicContact CD2-CB 4.41Å; Y108-F134 HydrophobicContact CD2-CD1 4.09Å; Y108-F134 HydrophobicContact CD2-CD2 4.2Å; Y108-F134 HydrophobicContact CD2-CE1 4.39Å; Y108-F134 HydrophobicContact CD2-CE2 4.46Å; Y108-F134 AromaticContact CD2-CG 3.99Å; Y108-F134 HydrophobicContact CD2-CG 3.99Å; Y108-F134 HydrophobicContact CE1-CB 3.79Å; Y108-F134 AromaticContact CE1-CD1 3.98Å; Y108-F134 HydrophobicContact CE1-CD1 3.98Å; Y108-F134 HydrophobicContact CE1-CG 4.08Å; Y108-F134 HydrophobicContact CE2-CB 4.07Å; Y108-F134 HydrophobicContact CE2-CD2 4.47Å; Y108-F134 HydrophobicContact CE2-CG 4.14Å; Y108-F134 HydrophobicContact CG-CB 4.45Å; Y108-F134 AromaticContact CG-CD1 3.49Å; Y108-F134 HydrophobicContact CG-CD1 3.49Å; Y108-F134 VanDerWaalsContact CG-CD1 3.49Å; Y108-F134 HydrophobicContact CG-CD2 4.39Å; Y108-F134 AromaticContact CG-CE1 3.7Å; Y108-F134 HydrophobicContact CG-CE1 3.7Å; Y108-F134 AromaticContact CG-CG 3.87Å; Y108-F134 HydrophobicContact CG-CG 3.87Å; Y108-F134 HydrophobicContact CG-CZ 4.22Å; Y108-F134 PolarHBondContact OH-O 2.89Å; V110-F134 HydrophobicContact CG2-CE1 3.73Å; L130-F134 HydrophobicContact CD1-CE1 3.79Å; L130-F134 HydrophobicContact CD1-CE2 4.1Å; L130-F134 HydrophobicContact CD1-CZ 3.47Å; L130-F134 VanDerWaalsContact CD1-CZ 3.47Å; L130-F134 HydrophobicContact CD2-CE2 4.07Å; L130-F134 HydrophobicContact CD2-CZ 4.05Å; L130-F134 HydrophobicContact CG-CD2 4.36Å; L130-F134 HydrophobicContact CG-CE1 4.23Å; L130-F134 HydrophobicContact CG-CE2 3.63Å; L130-F134 HydrophobicContact CG-CZ 3.55Å; L130-F134 WeakPolarHBondContact O-CD2 3.18Å; L130-F134 VanDerWaalsContact O-CG 3.25Å; L130-F134 WeakPolarHBondContact O-CG 3.23Å; L130-F134 PolarHBondContact O-N 3.25Å; L130-F134 VanDerWaalsContact O-N 3.09Å; L131-F134 PolarHBondContact O-N 3.09Å; L131-F134 VanDerWaalsContact O-N 3.12Å; F134-S136 VanDerWaalsContact C-N 3.33Å; F134-A238 HydrophobicContact CE2-CB 4Å; F134-A238 HydrophobicContact CZ-CB 3.67Å; F134-M240 HydrophobicContact CB-SD 4.08Å; F134-M240 HydrophobicContact CD2-SD 3.48Å; F134-M240 WeakPolarHBondContact CD2-SD 3.39Å; F134-M240 HydrophobicContact CE2-SD 4.28Å; F134-M240 HydrophobicContact CG-SD 4.17Å |
| 135 | D | 91 | Very high | 91.2 | Very high | 68 Ų | 68 | 50 Ų | 50 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.1 | -22 | 176.3 | -68.3 | -32.3 | 0 | 0 | 0 | 112.4 | L131 A137 R245 | L131-D135 WeakPolarHBondContact O-CB 3.47Å; L131-D135 PolarHBondContact O-N 2.63Å; D135-A137 VanDerWaalsContact C-N 3.29Å; D135-A137 PolarHBondContact O-N 2.84Å; D135-R245 IonicContact OD2-CZ 3.89Å; D135-R245 IonicContact OD2-NE 2.68Å; D135-R245 PolarHBondContact OD2-NE 3.43Å; D135-R245 IonicContact OD2-NH2 3.98Å; D135-R245 PolarHBondContact OD2-NH2 3.07Å |
| 136 | S | 91.7 | Very high | 91.8 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.3 | 174.7 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | S88 D132 L133 F134 I138 | S88-S136 PolarHBondContact OG-OG 3.04Å; D132-S136 WeakPolarHBondContact O-CB 3.17Å; D132-S136 PolarHBondContact O-N 2.86Å; L133-S136 PolarHBondContact O-N 2.9Å; L133-S136 PolarHBondContact O-OG 2.88Å; F134-S136 VanDerWaalsContact C-N 3.33Å; S136-I138 PolarHBondContact O-N 3.05Å |
| 137 | A | 93.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | trans | -77.3 | 122.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P86 Y108 D135 | P86-A137 HydrophobicContact CB-CB 3.89Å; Y108-A137 HydrophobicContact CE1-CB 4.31Å; D135-A137 VanDerWaalsContact C-N 3.29Å; D135-A137 PolarHBondContact O-N 2.84Å | ||
| 138 | I | 93.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 151.2 | 179.3 | 62.8 | 172.4 | 0 | 0 | 0 | 110.6 | P86 Y87 S136 R140 | P86-I138 WeakPolarHBondContact CA-O 3.4Å; Y87-I138 PolarHBondContact N-O 2.84Å; Y87-I138 PolarHBondContact O-N 3.09Å; Y87-I138 VanDerWaalsContact O-N 3.09Å; S136-I138 PolarHBondContact O-N 3.05Å; I138-R140 HydrophobicContact CG1-CG 4.25Å; I138-R140 PolarHBondContact O-N 3.35Å |
| 139 | E | 94.2 | Very high | 93 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 53% | 0.533 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 121.9 | 179.2 | -62.1 | -64.3 | 165 | 0 | 0 | 110.9 | F85 P86 | F85-E139 WeakPolarHBondContact CA-OE2 3.02Å; F85-E139 PolarHBondContact N-OE2 2.85Å; F85-E139 WeakPolarHBondContact O-CA 3.32Å; P86-E139 WeakPolarHBondContact CD-OE1 3.45Å; P86-E139 WeakPolarHBondContact CD-OE2 2.93Å; P86-E139 VanDerWaalsContact CG-OE1 3.31Å; P86-E139 WeakPolarHBondContact CG-OE1 3.38Å |
| 140 | R | 93.3 | Very high | 93 | Very high | 108 Ų | 108 | 42 Ų | 42 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150 | 173.8 | -64.6 | -173.4 | -179.1 | -174.9 | 0.2 | 109.7 | E84 F85 I138 V142 | E84-R140 VanDerWaalsContact CA-O 3.27Å; E84-R140 WeakPolarHBondContact CA-O 3.44Å; F85-R140 PolarHBondContact N-O 3.4Å; F85-R140 PolarHBondContact O-N 3.01Å; I138-R140 HydrophobicContact CG1-CG 4.25Å; I138-R140 PolarHBondContact O-N 3.35Å; R140-V142 HydrophobicContact CB-CG2 4.49Å; R140-V142 WeakPolarHBondContact O-CG2 3.3Å; R140-V142 PolarHBondContact O-N 3.24Å |
| 141 | Q | 94.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 42.6 Ų | 42.6 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 118.4 | 167.4 | -176.8 | 68.8 | 7.1 | 0 | 0 | 109.8 | E84 P226 P227 | E84-Q141 HydrophobicContact CG-CB 4.35Å; Q141-P226 HydrophobicContact CG-CB 4.11Å; Q141-P226 VanDerWaalsContact O-CB 3.23Å; Q141-P226 WeakPolarHBondContact O-CB 3.5Å; Q141-P227 WeakPolarHBondContact O-CD 3.38Å |
| 142 | V | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.3 | -178.9 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | N82 K83 Y87 L96 R140 V144 P227 L229 | N82-V142 WeakPolarHBondContact CA-O 3.49Å; K83-V142 PolarHBondContact N-O 3.03Å; K83-V142 VanDerWaalsContact N-O 3.11Å; K83-V142 PolarHBondContact O-N 3.4Å; Y87-V142 HydrophobicContact CD2-CG1 4.16Å; Y87-V142 HydrophobicContact CD2-CG2 3.77Å; Y87-V142 HydrophobicContact CE2-CG1 4.44Å; Y87-V142 HydrophobicContact CG-CG2 3.74Å; L96-V142 HydrophobicContact CD1-CG1 4.44Å; L96-V142 HydrophobicContact CD1-CG2 4.38Å; R140-V142 HydrophobicContact CB-CG2 4.49Å; R140-V142 WeakPolarHBondContact O-CG2 3.3Å; R140-V142 PolarHBondContact O-N 3.24Å; V142-V144 HydrophobicContact CB-CG2 3.98Å; V142-V144 HydrophobicContact CG1-CG2 3.72Å; V142-P227 WeakPolarHBondContact CA-O 3.39Å; V142-P227 WeakPolarHBondContact CG1-O 3.35Å; V142-P227 HydrophobicContact CG2-CG 4.23Å; V142-L229 HydrophobicContact CG1-CB 4.41Å |
| 143 | E | 96.7 | Very high | 91.6 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.4 | 162.7 | 169.3 | 173.2 | 160.5 | 0 | 0 | 109.1 | N82 H145 P227 K228 L229 | N82-E143 WeakPolarHBondContact OD1-CA 3.13Å; N82-E143 VanDerWaalsContact OD1-CB 3.32Å; N82-E143 WeakPolarHBondContact OD1-CB 3.47Å; N82-E143 VanDerWaalsContact OD1-CG 3.29Å; N82-E143 WeakPolarHBondContact OD1-CG 3.31Å; E143-H145 WeakPolarHBondContact CG-NE2 3.3Å; E143-H145 IonicContact OE1-CD2 2.65Å; E143-H145 IonicContact OE1-CE1 2.71Å; E143-H145 IonicContact OE1-NE2 2.82Å; E143-H145 PolarHBondContact OE1-NE2 2.99Å; E143-P227 PolarHBondContact N-O 3.43Å; E143-K228 HydrophobicContact CB-CB 4.48Å; E143-K228 HydrophobicContact CB-CG 4.13Å; E143-K228 HydrophobicContact CG-CD 4.43Å; E143-K228 HydrophobicContact CG-CG 4.29Å; E143-K228 CarbonylContact O-C 3.57Å; E143-K228 WeakPolarHBondContact O-CA 3.06Å; E143-K228 IonicContact OE1-NZ 2.89Å; E143-K228 PolarHBondContact OE1-NZ 2.8Å; E143-K228 WeakPolarHBondContact OE2-CE 2.94Å; E143-K228 IonicContact OE2-NZ 2.69Å; E143-K228 PolarHBondContact OE2-NZ 3.35Å; E143-L229 PolarHBondContact O-N 3.32Å |
| 144 | V | 97.5 | Very high | 91 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.1 | -168.2 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | F56 Q80 M81 F85 L96 I98 V142 I146 | F56-V144 HydrophobicContact CE1-CG1 4.2Å; F56-V144 HydrophobicContact CZ-CG1 4.2Å; Q80-V144 WeakPolarHBondContact CA-O 3.26Å; M81-V144 HydrophobicContact CG-CB 4.33Å; M81-V144 PolarHBondContact N-O 3.41Å; M81-V144 PolarHBondContact O-N 2.86Å; F85-V144 HydrophobicContact CD2-CG2 3.96Å; F85-V144 HydrophobicContact CE2-CG2 4.16Å; L96-V144 HydrophobicContact CD1-CG2 4.18Å; L96-V144 HydrophobicContact CD2-CB 4.3Å; L96-V144 HydrophobicContact CD2-CG1 3.64Å; L96-V144 HydrophobicContact CD2-CG2 3.68Å; I98-V144 HydrophobicContact CD1-CG1 4.16Å; V142-V144 HydrophobicContact CB-CG2 3.98Å; V142-V144 HydrophobicContact CG1-CG2 3.72Å; V144-I146 HydrophobicContact CG1-CD1 4.48Å; V144-I146 HydrophobicContact CG1-CG1 3.68Å |
| 145 | H | 97.8 | Very high | 90.1 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 11% | 0.106 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 110.5 | 171.8 | -59.9 | -125.3 | 0 | 0 | 0 | 108.7 | M78 M79 Q80 E143 L229 I230 A231 | M78-H145 HydrophobicContact CG-CB 3.83Å; M78-H145 HydrophobicContact SD-CB 3.89Å; M79-H145 WeakPolarHBondContact O-CA 3.24Å; Q80-H145 PolarHBondContact NE2-CE1 3.44Å; Q80-H145 PolarHBondContact NE2-ND1 3.15Å; E143-H145 WeakPolarHBondContact CG-NE2 3.3Å; E143-H145 IonicContact OE1-CD2 2.65Å; E143-H145 IonicContact OE1-CE1 2.71Å; E143-H145 IonicContact OE1-NE2 2.82Å; E143-H145 PolarHBondContact OE1-NE2 2.99Å; H145-L229 PolarHBondContact N-O 3.23Å; H145-I230 HydrophobicContact CB-CB 4.4Å; H145-I230 HydrophobicContact CB-CG1 4.36Å; H145-I230 HydrophobicContact CB-CG2 4.09Å; H145-A231 PolarHBondContact O-N 3.4Å |
| 146 | I | 96.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.4 | -178 | -62.4 | -63.5 | 0 | 0 | 0 | 109.4 | M78 M79 F109 V144 L229 A231 | M78-I146 PolarHBondContact SD-N 3.06Å; M78-I146 VanDerWaalsContact SD-N 3.4Å; M79-I146 WeakPolarHBondContact CB-O 3.35Å; M79-I146 HydrophobicContact CE-CG2 4.3Å; M79-I146 PolarHBondContact N-O 3.38Å; M79-I146 PolarHBondContact O-N 3.25Å; F109-I146 HydrophobicContact CD1-CD1 3.78Å; F109-I146 HydrophobicContact CD1-CG2 4.39Å; F109-I146 HydrophobicContact CD2-CD1 4.32Å; F109-I146 HydrophobicContact CE1-CD1 4Å; F109-I146 HydrophobicContact CE1-CG1 4.38Å; F109-I146 HydrophobicContact CE1-CG2 3.59Å; F109-I146 HydrophobicContact CG-CD1 3.95Å; F109-I146 HydrophobicContact CZ-CD1 4.37Å; F109-I146 HydrophobicContact CZ-CG1 4.36Å; F109-I146 HydrophobicContact CZ-CG2 3.81Å; V144-I146 HydrophobicContact CG1-CD1 4.48Å; V144-I146 HydrophobicContact CG1-CG1 3.68Å; I146-L229 HydrophobicContact CD1-CD2 3.76Å; I146-A231 HydrophobicContact CD1-CB 3.76Å |
| 147 | P | 96.1 | Very high | 89 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 141.5 | 176 | 25.4 | -32.5 | 0 | 0 | 0 | 111 | F66 V76 E77 M78 F149 A231 F235 Y253 | F66-P147 HydrophobicContact CE2-CG 4.39Å; V76-P147 HydrophobicContact CB-CB 4.41Å; V76-P147 HydrophobicContact CG2-CB 4.15Å; E77-P147 WeakPolarHBondContact O-CA 3.49Å; M78-P147 VanDerWaalsContact SD-N 3.39Å; P147-F149 HydrophobicContact CG-CD1 4.3Å; P147-F149 WeakPolarHBondContact O-CD1 3.36Å; P147-A231 WeakPolarHBondContact CD-O 3.4Å; P147-F235 HydrophobicContact CG-CE1 3.68Å; P147-F235 HydrophobicContact CG-CZ 3.91Å; P147-Y253 HydrophobicContact CB-CE1 4.3Å; P147-Y253 HydrophobicContact CG-CD1 4.14Å; P147-Y253 HydrophobicContact CG-CE1 3.93Å |
| 148 | K | 92.1 | Very high | 88.6 | Confident | 66 Ų | 66 | 50.7 Ų | 50.7 | 29% | 0.287 | 23% | 0.229 | S | C | . | . | trans | -76.4 | 125 | 165.9 | 179.5 | 173.2 | -177.1 | 170.5 | 0 | 108.3 | E77 M79 I199 N200 E201 | E77-K148 HydrophobicContact CB-CB 4.17Å; E77-K148 HydrophobicContact CB-CD 4.39Å; E77-K148 WeakPolarHBondContact O-CB 2.83Å; E77-K148 PolarHBondContact O-N 3.45Å; E77-K148 WeakPolarHBondContact OE2-CD 3.27Å; E77-K148 IonicContact OE2-NZ 3.29Å; M79-K148 HydrophobicContact CG-CB 3.93Å; M79-K148 HydrophobicContact SD-CB 3.98Å; M79-K148 HydrophobicContact SD-CG 4.39Å; K148-I199 WeakPolarHBondContact CA-O 3.26Å; K148-I199 WeakPolarHBondContact CG-O 3.45Å; K148-N200 HydrophobicContact CD-CB 4.45Å; K148-N200 HydrophobicContact CG-CB 4.26Å; K148-E201 VanDerWaalsContact CE-OE2 3.25Å; K148-E201 WeakPolarHBondContact CE-OE2 3.47Å; K148-E201 VanDerWaalsContact NZ-CD 3.29Å; K148-E201 IonicContact NZ-OE1 2.65Å; K148-E201 PolarHBondContact NZ-OE1 2.78Å; K148-E201 IonicContact NZ-OE2 3.89Å; K148-E201 PolarHBondContact NZ-OE2 3.47Å | ||
| 149 | F | 90.7 | Very high | 88.3 | Confident | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 161.7 | -175.5 | 64.4 | -103.3 | 0 | 0 | 0 | 113.9 | M107 P147 L151 I199 F235 F237 Y253 | M107-F149 HydrophobicContact CE-CZ 4.1Å; P147-F149 HydrophobicContact CG-CD1 4.3Å; P147-F149 WeakPolarHBondContact O-CD1 3.36Å; F149-L151 HydrophobicContact CD2-CD1 3.99Å; F149-L151 HydrophobicContact CD2-CG 3.84Å; F149-L151 HydrophobicContact CE2-CD1 3.74Å; F149-L151 HydrophobicContact CE2-CG 4.1Å; F149-I199 HydrophobicContact CD1-CB 4.23Å; F149-I199 HydrophobicContact CD1-CG2 4.4Å; F149-I199 HydrophobicContact CD2-CB 4.19Å; F149-I199 HydrophobicContact CD2-CG1 4.13Å; F149-I199 HydrophobicContact CE1-CB 4.06Å; F149-I199 HydrophobicContact CE1-CG1 4.08Å; F149-I199 HydrophobicContact CE1-CG2 4.1Å; F149-I199 HydrophobicContact CE2-CB 4.07Å; F149-I199 HydrophobicContact CE2-CG1 3.55Å; F149-I199 HydrophobicContact CG-CB 4.29Å; F149-I199 HydrophobicContact CZ-CB 4.02Å; F149-I199 HydrophobicContact CZ-CG1 3.54Å; F149-I199 HydrophobicContact CZ-CG2 4.41Å; F149-I199 PolarHBondContact N-O 3.14Å; F149-I199 PolarHBondContact O-N 2.87Å; F149-F235 HydrophobicContact CD1-CZ 4.39Å; F149-F235 HydrophobicContact CE1-CE2 4.11Å; F149-F235 AromaticContact CE1-CZ 3.74Å; F149-F235 HydrophobicContact CE1-CZ 3.74Å; F149-F235 HydrophobicContact CZ-CE2 4.42Å; F149-F235 HydrophobicContact CZ-CZ 4.45Å; F149-F237 HydrophobicContact CE2-CE1 4.45Å; F149-F237 HydrophobicContact CZ-CD1 4.31Å; F149-F237 HydrophobicContact CZ-CE1 4.39Å; F149-Y253 HydrophobicContact CB-CD2 4.21Å; F149-Y253 HydrophobicContact CB-CE2 3.33Å; F149-Y253 WeakPolarHBondContact CB-OH 3.44Å; F149-Y253 AromaticContact CD1-CD2 3.94Å; F149-Y253 HydrophobicContact CD1-CD2 3.94Å; F149-Y253 AromaticContact CD1-CE2 3.82Å; F149-Y253 HydrophobicContact CD1-CE2 3.82Å; F149-Y253 HydrophobicContact CD1-CG 4.39Å; F149-Y253 HydrophobicContact CD2-CD2 4.08Å; F149-Y253 AromaticContact CD2-CE2 3.98Å; F149-Y253 HydrophobicContact CD2-CE2 3.98Å; F149-Y253 HydrophobicContact CE1-CD2 4.28Å; F149-Y253 HydrophobicContact CE2-CD2 4.37Å; F149-Y253 AromaticContact CG-CD2 3.83Å; F149-Y253 HydrophobicContact CG-CD2 3.83Å; F149-Y253 AromaticContact CG-CE2 3.46Å; F149-Y253 HydrophobicContact CG-CE2 3.46Å; F149-Y253 VanDerWaalsContact CG-CE2 3.46Å; F149-Y253 HydrophobicContact CZ-CD2 4.46Å |
| 150 | K | 87.4 | Confident | 87.7 | Confident | 113 Ų | 113 | 47.3 Ų | 47.3 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 121.3 | 174.6 | 172.5 | 173.5 | 157.2 | 168.3 | 0 | 109.4 | F196 I197 E198 | K150-F196 HydrophobicContact CD-CE2 4.25Å; K150-F196 HydrophobicContact CD-CZ 3.76Å; K150-F196 HydrophobicContact CG-CE1 4.48Å; K150-F196 HydrophobicContact CG-CE2 4.49Å; K150-F196 HydrophobicContact CG-CZ 4.08Å; K150-I197 WeakPolarHBondContact CA-O 3.46Å; K150-E198 HydrophobicContact CB-CG 4.3Å |
| 151 | L | 82.1 | Confident | 87.3 | Confident | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 119.6 | 177.7 | -61.1 | 171.4 | 0 | 0 | 0 | 109.1 | F149 F196 I197 F237 Y253 L263 | F149-L151 HydrophobicContact CD2-CD1 3.99Å; F149-L151 HydrophobicContact CD2-CG 3.84Å; F149-L151 HydrophobicContact CE2-CD1 3.74Å; F149-L151 HydrophobicContact CE2-CG 4.1Å; L151-F196 WeakPolarHBondContact O-CA 3.31Å; L151-I197 HydrophobicContact CB-CG2 3.77Å; L151-I197 HydrophobicContact CD1-CG2 4.28Å; L151-I197 HydrophobicContact CG-CG2 4.46Å; L151-I197 PolarHBondContact N-O 3.18Å; L151-I197 PolarHBondContact O-N 3.16Å; L151-F237 HydrophobicContact CD1-CE1 3.62Å; L151-F237 HydrophobicContact CD1-CZ 3.51Å; L151-Y253 HydrophobicContact CD1-CD2 4.35Å; L151-Y253 HydrophobicContact CD2-CD2 4.31Å; L151-Y253 HydrophobicContact CD2-CE2 4.31Å; L151-L263 HydrophobicContact CD2-CD1 3.96Å |
| 152 | E | 81 | Confident | 87 | Confident | 87 Ų | 87 | 42.4 Ų | 42.4 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.6 | 163.1 | -174.5 | 177.8 | 160.9 | 0 | 0 | 106.7 | K194 A195 F196 | E152-K194 WeakPolarHBondContact OE1-CE 3.21Å; E152-K194 IonicContact OE1-NZ 3.33Å; E152-K194 PolarHBondContact OE1-NZ 3.1Å; E152-A195 WeakPolarHBondContact CA-O 3.34Å; E152-F196 HydrophobicContact CB-CD2 4.45Å |
| 153 | Y | 76.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.5 | -176 | -175.6 | -112.5 | 0 | 0 | 0 | 110.6 | L155 K194 A195 L263 M265 | Y153-L155 HydrophobicContact CE1-CB 3.83Å; Y153-L155 HydrophobicContact CE1-CD1 4.21Å; Y153-L155 HydrophobicContact CE1-CG 4.48Å; Y153-L155 WeakPolarHBondContact OH-CD1 3.39Å; Y153-K194 CarbonylContact O-C 3.54Å; Y153-K194 VanDerWaalsContact O-CA 3.22Å; Y153-K194 WeakPolarHBondContact O-CA 3.45Å; Y153-K194 WeakPolarHBondContact O-CG 3.14Å; Y153-A195 PolarHBondContact N-O 3.06Å; Y153-A195 PolarHBondContact O-N 3.17Å; Y153-L263 WeakPolarHBondContact CE2-O 3.38Å; Y153-M265 HydrophobicContact CD2-CB 4.22Å; Y153-M265 HydrophobicContact CE1-CB 4.18Å; Y153-M265 HydrophobicContact CE2-CB 3.84Å |
| 154 | E | 77.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.1 | 175.9 | -173.1 | -164.7 | 128.8 | 0 | 0 | 109.4 | K194 | E154-K194 HydrophobicContact CB-CD 4.47Å; E154-K194 HydrophobicContact CB-CG 4.47Å |
| 155 | L | 74 | Confident | 85.3 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.9 | 179.3 | -173.9 | 72.6 | 0 | 0 | 0 | 110.9 | Y153 L157 T160 H193 I269 | Y153-L155 HydrophobicContact CE1-CB 3.83Å; Y153-L155 HydrophobicContact CE1-CD1 4.21Å; Y153-L155 HydrophobicContact CE1-CG 4.48Å; Y153-L155 WeakPolarHBondContact OH-CD1 3.39Å; L155-L157 HydrophobicContact CD2-CD1 4.02Å; L155-L157 PolarHBondContact O-N 3.34Å; L155-T160 HydrophobicContact CD2-CG2 4.42Å; L155-H193 HydrophobicContact CB-CB 4.36Å; L155-H193 PolarHBondContact N-O 3.39Å; L155-H193 PolarHBondContact O-N 2.8Å; L155-I269 HydrophobicContact CD2-CD1 3.51Å; L155-I269 HydrophobicContact CD2-CG1 4.47Å |
| 156 | K | 76.3 | Confident | 84.8 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 44% | 0.443 | 28% | 0.281 | S | S | . | . | trans | -74.6 | 73.8 | 165.2 | -64.2 | -168.5 | 178.2 | -169.7 | 0 | 109.7 | K158 Q159 | K156-K158 PolarHBondContact O-N 3Å; K156-Q159 PolarHBondContact O-N 3.24Å; K156-Q159 VanDerWaalsContact O-N 3.09Å | ||
| 157 | L | 83.7 | Confident | 84.6 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.8 | -32.8 | -169.8 | -179.3 | 61.2 | 0 | 0 | 0 | 113.2 | L155 Q159 T160 L161 A191 H193 I269 W305 | L155-L157 HydrophobicContact CD2-CD1 4.02Å; L155-L157 PolarHBondContact O-N 3.34Å; L157-Q159 PolarHBondContact O-N 3.24Å; L157-T160 WeakPolarHBondContact O-CB 3.04Å; L157-T160 PolarHBondContact O-N 3.39Å; L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CD2 4.14Å; L157-L161 HydrophobicContact CD1-CG 3.8Å; L157-L161 HydrophobicContact CD2-CD1 4.13Å; L157-L161 HydrophobicContact CG-CD1 3.65Å; L157-L161 HydrophobicContact CG-CG 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 WeakPolarHBondContact O-CG 3.43Å; L157-L161 PolarHBondContact O-N 3.29Å; L157-A191 HydrophobicContact CB-CB 3.99Å; L157-A191 WeakPolarHBondContact CB-O 3.49Å; L157-A191 HydrophobicContact CD2-CB 4.31Å; L157-A191 HydrophobicContact CG-CB 4.23Å; L157-A191 PolarHBondContact N-O 3.08Å; L157-H193 HydrophobicContact CB-CB 4.44Å; L157-H193 HydrophobicContact CD2-CB 4.39Å; L157-I269 HydrophobicContact CD1-CD1 3.45Å; L157-I269 VanDerWaalsContact CD1-CD1 3.45Å; L157-W305 HydrophobicContact CD2-CH2 4.47Å |
| 158 | K | 85.2 | Confident | 84.4 | Confident | 44 Ų | 44 | 65.6 Ų | 65.6 | 19% | 0.191 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -51.3 | -52 | 175.4 | 169.5 | 172.5 | 174 | -175.9 | 0 | 113.1 | K156 T160 L161 Q162 F170 S189 E190 A191 | K156-K158 PolarHBondContact O-N 3Å; K158-T160 VanDerWaalsContact C-N 3.3Å; K158-T160 PolarHBondContact O-N 3.15Å; K158-L161 PolarHBondContact O-N 3.05Å; K158-Q162 VanDerWaalsContact O-CG 3.31Å; K158-Q162 WeakPolarHBondContact O-CG 3.35Å; K158-Q162 PolarHBondContact O-N 2.87Å; K158-F170 HydrophobicContact CB-CD1 4.2Å; K158-F170 HydrophobicContact CB-CE1 3.71Å; K158-F170 HydrophobicContact CB-CZ 4.1Å; K158-F170 HydrophobicContact CD-CD1 3.88Å; K158-F170 HydrophobicContact CD-CE1 4.22Å; K158-F170 HydrophobicContact CG-CD1 3.61Å; K158-F170 HydrophobicContact CG-CE1 3.65Å; K158-F170 HydrophobicContact CG-CG 4.08Å; K158-F170 HydrophobicContact CG-CZ 4.15Å; K158-S189 WeakPolarHBondContact CD-O 3.22Å; K158-S189 WeakPolarHBondContact CE-O 3.42Å; K158-S189 PolarHBondContact NZ-O 2.65Å; K158-E190 WeakPolarHBondContact CD-OE2 3.49Å; K158-E190 IonicContact NZ-OE1 3.73Å; K158-E190 PolarHBondContact NZ-OE1 2.91Å; K158-E190 IonicContact NZ-OE2 2.96Å; K158-A191 HydrophobicContact CB-CB 4.21Å; K158-A191 PolarHBondContact N-O 2.7Å |
| 159 | Q | 86.2 | Confident | 84.4 | Confident | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.9 | -35.5 | -176.5 | -64.8 | 168.2 | -9.7 | 0 | 0 | 111.2 | K156 L157 R163 | K156-Q159 PolarHBondContact O-N 3.24Å; K156-Q159 VanDerWaalsContact O-N 3.09Å; L157-Q159 PolarHBondContact O-N 3.24Å; Q159-R163 WeakPolarHBondContact O-CG 3.41Å; Q159-R163 PolarHBondContact O-N 3.17Å |
| 160 | T | 81.5 | Confident | 84.4 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -48.7 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | L155 L157 K158 Q162 R163 F164 | L155-T160 HydrophobicContact CD2-CG2 4.42Å; L157-T160 WeakPolarHBondContact O-CB 3.04Å; L157-T160 PolarHBondContact O-N 3.39Å; K158-T160 VanDerWaalsContact C-N 3.3Å; K158-T160 PolarHBondContact O-N 3.15Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 2.82Å; T160-R163 WeakPolarHBondContact O-CB 3.46Å; T160-R163 PolarHBondContact O-N 2.65Å; T160-R163 VanDerWaalsContact O-N 3.15Å; T160-F164 HydrophobicContact CG2-CD2 4.04Å; T160-F164 HydrophobicContact CG2-CE2 3.6Å; T160-F164 WeakPolarHBondContact O-CD2 3.43Å; T160-F164 PolarHBondContact O-N 3.19Å |
| 161 | L | 85.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 179.1 | -68.2 | 175.8 | 0 | 0 | 0 | 112.1 | L157 K158 R163 F164 G165 L166 M169 F170 I273 | L157-L161 HydrophobicContact CD1-CD1 4.05Å; L157-L161 HydrophobicContact CD1-CD2 4.14Å; L157-L161 HydrophobicContact CD1-CG 3.8Å; L157-L161 HydrophobicContact CD2-CD1 4.13Å; L157-L161 HydrophobicContact CG-CD1 3.65Å; L157-L161 HydrophobicContact CG-CG 3.91Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 WeakPolarHBondContact O-CG 3.43Å; L157-L161 PolarHBondContact O-N 3.29Å; K158-L161 PolarHBondContact O-N 3.05Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.65Å; L161-F164 CarbonylContact O-C 3.53Å; L161-F164 WeakPolarHBondContact O-CA 3.42Å; L161-F164 PolarHBondContact O-N 3.29Å; L161-G165 PolarHBondContact O-N 2.67Å; L161-L166 HydrophobicContact CB-CB 4.2Å; L161-L166 HydrophobicContact CB-CD1 4.33Å; L161-L166 HydrophobicContact CD2-CD1 3.75Å; L161-L166 WeakPolarHBondContact O-CB 3.46Å; L161-L166 PolarHBondContact O-N 2.84Å; L161-M169 HydrophobicContact CD1-CE 4.48Å; L161-F170 HydrophobicContact CB-CE2 3.84Å; L161-F170 HydrophobicContact CB-CZ 3.98Å; L161-F170 HydrophobicContact CD1-CZ 3.93Å; L161-I273 HydrophobicContact CD2-CD1 3.7Å |
| 162 | Q | 88.2 | Confident | 84.9 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 173.4 | -73.8 | 177.1 | -49.2 | 0 | 0 | 112.5 | K158 T160 F164 G165 F170 | K158-Q162 VanDerWaalsContact O-CG 3.31Å; K158-Q162 WeakPolarHBondContact O-CG 3.35Å; K158-Q162 PolarHBondContact O-N 2.87Å; T160-Q162 VanDerWaalsContact C-N 3.34Å; T160-Q162 PolarHBondContact O-N 2.82Å; Q162-F164 VanDerWaalsContact C-N 3.25Å; Q162-F164 PolarHBondContact O-N 2.61Å; Q162-G165 PolarHBondContact O-N 2.92Å; Q162-F170 HydrophobicContact CG-CD2 3.58Å; Q162-F170 HydrophobicContact CG-CE2 3.97Å; Q162-F170 HydrophobicContact CG-CG 4.36Å |
| 163 | R | 85.5 | Confident | 85.4 | Confident | 216 Ų | 216 | 73.1 Ų | 73.1 | 82% | 0.815 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.9 | -24.8 | 174.2 | -70.1 | 173.6 | -176.8 | -178.2 | 1.7 | 113.3 | Q159 T160 L161 G165 | Q159-R163 WeakPolarHBondContact O-CG 3.41Å; Q159-R163 PolarHBondContact O-N 3.17Å; T160-R163 WeakPolarHBondContact O-CB 3.46Å; T160-R163 PolarHBondContact O-N 2.65Å; T160-R163 VanDerWaalsContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.65Å; R163-G165 VanDerWaalsContact C-N 3.25Å; R163-G165 PolarHBondContact O-N 2.82Å |
| 164 | F | 80.5 | Confident | 86.2 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 37% | 0.368 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 11.3 | 170.8 | -67.6 | -59.1 | 0 | 0 | 0 | 113.9 | T160 L161 Q162 L166 D268 | T160-F164 HydrophobicContact CG2-CD2 4.04Å; T160-F164 HydrophobicContact CG2-CE2 3.6Å; T160-F164 WeakPolarHBondContact O-CD2 3.43Å; T160-F164 PolarHBondContact O-N 3.19Å; L161-F164 CarbonylContact O-C 3.53Å; L161-F164 WeakPolarHBondContact O-CA 3.42Å; L161-F164 PolarHBondContact O-N 3.29Å; Q162-F164 VanDerWaalsContact C-N 3.25Å; Q162-F164 PolarHBondContact O-N 2.61Å; F164-L166 VanDerWaalsContact C-N 3.31Å; F164-L166 PolarHBondContact O-N 2.86Å; F164-D268 VanDerWaalsContact CZ-OD1 3.23Å; F164-D268 WeakPolarHBondContact CZ-OD1 3.47Å; F164-D268 WeakPolarHBondContact CZ-OD2 3.4Å |
| 165 | G | 87.7 | Confident | 86.8 | Confident | 53 Ų | 53 | 71.7 Ų | 71.7 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 4.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L161 Q162 R163 T167 | L161-G165 PolarHBondContact O-N 2.67Å; Q162-G165 PolarHBondContact O-N 2.92Å; R163-G165 VanDerWaalsContact C-N 3.25Å; R163-G165 PolarHBondContact O-N 2.82Å; G165-T167 PolarHBondContact O-N 2.79Å |
| 166 | L | 87.8 | Confident | 87.5 | Confident | 65 Ų | 65 | 74.6 Ų | 74.6 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | trans | -81.9 | 65.3 | 172 | -66.8 | 166.5 | 0 | 0 | 0 | 109.6 | L161 F164 M169 F170 | L161-L166 HydrophobicContact CB-CB 4.2Å; L161-L166 HydrophobicContact CB-CD1 4.33Å; L161-L166 HydrophobicContact CD2-CD1 3.75Å; L161-L166 WeakPolarHBondContact O-CB 3.46Å; L161-L166 PolarHBondContact O-N 2.84Å; F164-L166 VanDerWaalsContact C-N 3.31Å; F164-L166 PolarHBondContact O-N 2.86Å; L166-M169 HydrophobicContact CB-SD 3.96Å; L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 WeakPolarHBondContact O-CE2 3.13Å | ||
| 167 | T | 91.4 | Very high | 88 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 43% | 0.429 | 35% | 0.345 | S | S | . | . | trans | -83.6 | -44.6 | -176.9 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | G165 M169 F170 | G165-T167 PolarHBondContact O-N 2.79Å; T167-M169 VanDerWaalsContact C-N 3.29Å; T167-M169 PolarHBondContact O-N 2.65Å; T167-F170 PolarHBondContact O-N 2.96Å | ||
| 168 | D | 92.8 | Very high | 88.2 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -64.1 | -35 | -165 | -64.1 | 4 | 0 | 0 | 0 | 112.4 | F170 S171 L174 A175 | D168-F170 PolarHBondContact O-N 2.9Å; D168-F170 VanDerWaalsContact O-N 3.11Å; D168-S171 PolarHBondContact O-N 2.85Å; D168-L174 HydrophobicContact CB-CB 3.92Å; D168-A175 VanDerWaalsContact O-CA 3.28Å; D168-A175 WeakPolarHBondContact O-CA 3.21Å; D168-A175 WeakPolarHBondContact O-CB 3.3Å; D168-A175 PolarHBondContact O-N 2.62Å; D168-A175 VanDerWaalsContact O-N 3.14Å |
| 169 | M | 90.8 | Very high | 88.4 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -60.3 | -20.8 | 177.3 | 66.1 | -177.8 | -71.3 | 0 | 0 | 114.2 | L42 L161 L166 T167 F177 V188 | L42-M169 HydrophobicContact CD1-CE 3.72Å; L161-M169 HydrophobicContact CD1-CE 4.48Å; L166-M169 HydrophobicContact CB-SD 3.96Å; T167-M169 VanDerWaalsContact C-N 3.29Å; T167-M169 PolarHBondContact O-N 2.65Å; M169-F177 HydrophobicContact CB-CE2 3.97Å; M169-F177 HydrophobicContact CB-CZ 3.84Å; M169-V188 HydrophobicContact CE-CB 4.35Å; M169-V188 HydrophobicContact CE-CG2 3.81Å; M169-V188 WeakPolarHBondContact O-CB 3.42Å; M169-V188 PolarHBondContact O-N 2.71Å |
| 170 | F | 91.2 | Very high | 88.3 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -99.9 | 1.7 | 177.7 | -56 | -75.7 | 0 | 0 | 0 | 113.6 | K158 L161 Q162 L166 T167 D168 V188 A191 | K158-F170 HydrophobicContact CB-CD1 4.2Å; K158-F170 HydrophobicContact CB-CE1 3.71Å; K158-F170 HydrophobicContact CB-CZ 4.1Å; K158-F170 HydrophobicContact CD-CD1 3.88Å; K158-F170 HydrophobicContact CD-CE1 4.22Å; K158-F170 HydrophobicContact CG-CD1 3.61Å; K158-F170 HydrophobicContact CG-CE1 3.65Å; K158-F170 HydrophobicContact CG-CG 4.08Å; K158-F170 HydrophobicContact CG-CZ 4.15Å; L161-F170 HydrophobicContact CB-CE2 3.84Å; L161-F170 HydrophobicContact CB-CZ 3.98Å; L161-F170 HydrophobicContact CD1-CZ 3.93Å; Q162-F170 HydrophobicContact CG-CD2 3.58Å; Q162-F170 HydrophobicContact CG-CE2 3.97Å; Q162-F170 HydrophobicContact CG-CG 4.36Å; L166-F170 WeakPolarHBondContact O-CD2 3.35Å; L166-F170 WeakPolarHBondContact O-CE2 3.13Å; T167-F170 PolarHBondContact O-N 2.96Å; D168-F170 PolarHBondContact O-N 2.9Å; D168-F170 VanDerWaalsContact O-N 3.11Å; F170-V188 WeakPolarHBondContact CA-O 3.32Å; F170-V188 HydrophobicContact CD1-CB 3.83Å; F170-V188 HydrophobicContact CD1-CG1 3.78Å; F170-V188 WeakPolarHBondContact CD1-O 3.39Å; F170-V188 HydrophobicContact CE1-CB 3.92Å; F170-V188 HydrophobicContact CE1-CG1 3.49Å; F170-V188 VanDerWaalsContact CE1-CG1 3.49Å; F170-A191 HydrophobicContact CE1-CB 4.16Å |
| 171 | S | 90.4 | Very high | 88.2 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | trans | -103.6 | 123.1 | -178.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | D168 R173 L174 A175 | D168-S171 PolarHBondContact O-N 2.85Å; S171-R173 PolarHBondContact O-N 2.93Å; S171-R173 VanDerWaalsContact O-N 3.15Å; S171-R173 PolarHBondContact OG-N 2.77Å; S171-L174 PolarHBondContact O-N 2.93Å; S171-L174 PolarHBondContact OG-N 3.21Å; S171-A175 WeakPolarHBondContact O-CB 3.15Å; S171-A175 PolarHBondContact O-N 2.92Å | ||
| 172 | E | 90.1 | Very high | 88.2 | Confident | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.8 | 175 | -178.5 | 168.6 | -151.1 | 0 | 0 | 113.1 | Y187 | E172-Y187 HydrophobicContact CB-CD1 3.69Å; E172-Y187 HydrophobicContact CB-CE1 3.61Å; E172-Y187 HydrophobicContact CB-CG 4.26Å; E172-Y187 HydrophobicContact CG-CD1 3.85Å; E172-Y187 HydrophobicContact CG-CE1 3.55Å |
| 173 | R | 90.9 | Very high | 88 | Confident | 231 Ų | 231 | 81 Ų | 81 | 87% | 0.872 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -29.5 | -179.5 | -176.4 | 176.2 | 175.6 | -173.6 | -0.7 | 114.1 | S171 | S171-R173 PolarHBondContact O-N 2.93Å; S171-R173 VanDerWaalsContact O-N 3.15Å; S171-R173 PolarHBondContact OG-N 2.77Å |
| 174 | L | 92.5 | Very high | 87.8 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -22.8 | -170.5 | -55.8 | 176 | 0 | 0 | 0 | 113.3 | D168 S171 N176 | D168-L174 HydrophobicContact CB-CB 3.92Å; S171-L174 PolarHBondContact O-N 2.93Å; S171-L174 PolarHBondContact OG-N 3.21Å; L174-N176 PolarHBondContact O-N 3.46Å |
| 175 | A | 90.8 | Very high | 88 | Confident | 5 Ų | 5 | 79.8 Ų | 79.8 | 4% | 0.041 | 41% | 0.413 | C | S | . | . | trans | -61.9 | 131.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | D168 S171 F177 | D168-A175 VanDerWaalsContact O-CA 3.28Å; D168-A175 WeakPolarHBondContact O-CA 3.21Å; D168-A175 WeakPolarHBondContact O-CB 3.3Å; D168-A175 PolarHBondContact O-N 2.62Å; D168-A175 VanDerWaalsContact O-N 3.14Å; S171-A175 WeakPolarHBondContact O-CB 3.15Å; S171-A175 PolarHBondContact O-N 2.92Å; A175-F177 HydrophobicContact CB-CD2 4.07Å; A175-F177 HydrophobicContact CB-CE2 4.16Å | ||
| 176 | N | 89.3 | Confident | 88 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | trans | -124.1 | 72.2 | 179.2 | -173.5 | 9.1 | 0 | 0 | 0 | 111.1 | L174 S178 R184 | L174-N176 PolarHBondContact O-N 3.46Å; N176-S178 PolarHBondContact O-N 2.88Å; N176-S178 WeakPolarHBondContact OD1-CB 3.25Å; N176-S178 PolarHBondContact OD1-OG 2.84Å; N176-R184 PolarHBondContact OD1-NE 2.88Å | ||
| 177 | F | 87.4 | Confident | 88.1 | Confident | 21 Ų | 21 | 76 Ų | 76 | 9% | 0.092 | 38% | 0.379 | C | S | . | . | trans | -89.8 | 26.6 | 171.9 | -67.9 | -78.3 | 0 | 0 | 0 | 113.2 | M169 A175 K179 I180 L186 V188 L290 | M169-F177 HydrophobicContact CB-CE2 3.97Å; M169-F177 HydrophobicContact CB-CZ 3.84Å; A175-F177 HydrophobicContact CB-CD2 4.07Å; A175-F177 HydrophobicContact CB-CE2 4.16Å; F177-K179 PolarHBondContact O-N 3.12Å; F177-I180 HydrophobicContact CB-CD1 4.22Å; F177-I180 HydrophobicContact CB-CG1 4.47Å; F177-I180 HydrophobicContact CD1-CD1 3.66Å; F177-I180 HydrophobicContact CD1-CG1 4.5Å; F177-I180 HydrophobicContact CE1-CD1 4.48Å; F177-I180 HydrophobicContact CG-CD1 4.33Å; F177-I180 WeakPolarHBondContact O-CB 3.41Å; F177-I180 PolarHBondContact O-N 3.16Å; F177-L186 HydrophobicContact CB-CB 4.15Å; F177-L186 HydrophobicContact CB-CD2 3.92Å; F177-L186 HydrophobicContact CB-CG 4.36Å; F177-L186 WeakPolarHBondContact CD2-O 3.37Å; F177-V188 HydrophobicContact CE2-CG2 3.86Å; F177-V188 HydrophobicContact CZ-CG2 3.7Å; F177-L290 HydrophobicContact CE1-CD1 3.89Å | ||
| 178 | S | 88 | Confident | 88 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 26% | 0.259 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.4 | -23.1 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | N176 I180 G182 K183 | N176-S178 PolarHBondContact O-N 2.88Å; N176-S178 WeakPolarHBondContact OD1-CB 3.25Å; N176-S178 PolarHBondContact OD1-OG 2.84Å; S178-I180 PolarHBondContact O-N 3.4Å; S178-G182 WeakPolarHBondContact O-CA 3.29Å; S178-G182 PolarHBondContact O-N 3.28Å; S178-K183 WeakPolarHBondContact CA-O 3.48Å; S178-K183 PolarHBondContact N-O 3.05Å |
| 179 | K | 88.1 | Confident | 87.8 | Confident | 142 Ų | 142 | 70.5 Ų | 70.5 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -74.1 | -2 | 172.3 | -67.2 | -177.6 | 170.2 | 172.8 | 0 | 114.5 | F177 G287 | F177-K179 PolarHBondContact O-N 3.12Å; K179-G287 PolarHBondContact NZ-O 3.33Å |
| 180 | I | 83.6 | Confident | 87.6 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.415 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -107.2 | -35 | 174.4 | -56 | -177.2 | 0 | 0 | 0 | 111.5 | F177 S178 L186 | F177-I180 HydrophobicContact CB-CD1 4.22Å; F177-I180 HydrophobicContact CB-CG1 4.47Å; F177-I180 HydrophobicContact CD1-CD1 3.66Å; F177-I180 HydrophobicContact CD1-CG1 4.5Å; F177-I180 HydrophobicContact CE1-CD1 4.48Å; F177-I180 HydrophobicContact CG-CD1 4.33Å; F177-I180 WeakPolarHBondContact O-CB 3.41Å; F177-I180 PolarHBondContact O-N 3.16Å; S178-I180 PolarHBondContact O-N 3.4Å; I180-L186 HydrophobicContact CB-CD2 4.43Å; I180-L186 HydrophobicContact CG2-CD2 4.28Å |
| 181 | T | 80.8 | Confident | 87.3 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 23% | 0.233 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -123.8 | -8 | -171.9 | 60.4 | 0 | 0 | 0 | 0 | 115.3 | K183 L186 | T181-K183 PolarHBondContact O-N 3.14Å; T181-K183 PolarHBondContact OG1-N 3.09Å; T181-K183 PolarHBondContact OG1-O 3.39Å; T181-K183 VanDerWaalsContact OG1-O 3.09Å; T181-L186 HydrophobicContact CG2-CB 4.36Å; T181-L186 HydrophobicContact CG2-CD2 3.87Å |
| 182 | G | 84.2 | Confident | 87 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 68% | 0.68 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 75.8 | -3.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S178 | S178-G182 WeakPolarHBondContact O-CA 3.29Å; S178-G182 PolarHBondContact O-N 3.28Å |
| 183 | K | 84.1 | Confident | 86.7 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -132.3 | 159.3 | -170.7 | -66.2 | -178.1 | -178.1 | -177.6 | 0 | 112.4 | S178 T181 D185 | S178-K183 WeakPolarHBondContact CA-O 3.48Å; S178-K183 PolarHBondContact N-O 3.05Å; T181-K183 PolarHBondContact O-N 3.14Å; T181-K183 PolarHBondContact OG1-N 3.09Å; T181-K183 PolarHBondContact OG1-O 3.39Å; T181-K183 VanDerWaalsContact OG1-O 3.09Å; K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 WeakPolarHBondContact CB-OD1 3.46Å; K183-D185 VanDerWaalsContact CD-OD2 3.25Å; K183-D185 WeakPolarHBondContact CD-OD2 3.46Å |
| 184 | R | 82.3 | Confident | 86.3 | Confident | 183 Ų | 183 | 54 Ų | 54 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -98.5 | 31.3 | 176 | -64.9 | -170.8 | -179.9 | 177.7 | 3.8 | 112.8 | N176 | N176-R184 PolarHBondContact OD1-NE 2.88Š|
| 185 | D | 83.9 | Confident | 85.7 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -98.7 | 0.6 | -179.1 | 56.3 | -2.1 | 0 | 0 | 0 | 113.4 | K183 | K183-D185 VanDerWaalsContact C-N 3.34Å; K183-D185 WeakPolarHBondContact CB-OD1 3.46Å; K183-D185 VanDerWaalsContact CD-OD2 3.25Å; K183-D185 WeakPolarHBondContact CD-OD2 3.46Å | ||
| 186 | L | 87.9 | Confident | 85.3 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | trans | -110 | 128.9 | -177.6 | -166.4 | 76.6 | 0 | 0 | 0 | 110.7 | R39 L40 F177 I180 T181 | R39-L186 HydrophobicContact CB-CD1 4.3Å; R39-L186 WeakPolarHBondContact O-CD1 3.12Å; L40-L186 HydrophobicContact CB-CD1 4.08Å; L40-L186 HydrophobicContact CB-CG 4.25Å; L40-L186 HydrophobicContact CD2-CD2 4.11Å; L40-L186 HydrophobicContact CD2-CG 4.45Å; F177-L186 HydrophobicContact CB-CB 4.15Å; F177-L186 HydrophobicContact CB-CD2 3.92Å; F177-L186 HydrophobicContact CB-CG 4.36Å; F177-L186 WeakPolarHBondContact CD2-O 3.37Å; I180-L186 HydrophobicContact CB-CD2 4.43Å; I180-L186 HydrophobicContact CG2-CD2 4.28Å; T181-L186 HydrophobicContact CG2-CB 4.36Å; T181-L186 HydrophobicContact CG2-CD2 3.87Å | ||
| 187 | Y | 89.4 | Confident | 85 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | trans | -137.4 | 153.1 | 171.1 | 61.1 | -88.4 | 0 | 0 | 0 | 109.7 | L37 R39 L40 E172 S189 | L37-Y187 PolarHBondContact O-OH 3.3Å; R39-Y187 HydrophobicContact CB-CD1 4.14Å; R39-Y187 HydrophobicContact CB-CE1 3.98Å; R39-Y187 HydrophobicContact CB-CE2 4.44Å; R39-Y187 HydrophobicContact CB-CG 4.47Å; R39-Y187 HydrophobicContact CG-CD1 3.97Å; R39-Y187 HydrophobicContact CG-CE1 3.36Å; R39-Y187 HydrophobicContact CG-CE2 4.37Å; L40-Y187 WeakPolarHBondContact CB-O 3.11Å; L40-Y187 PolarHBondContact N-O 3.21Å; E172-Y187 HydrophobicContact CB-CD1 3.69Å; E172-Y187 HydrophobicContact CB-CE1 3.61Å; E172-Y187 HydrophobicContact CB-CG 4.26Å; E172-Y187 HydrophobicContact CG-CD1 3.85Å; E172-Y187 HydrophobicContact CG-CE1 3.55Å; Y187-S189 WeakPolarHBondContact CE2-OG 3.38Å; Y187-S189 PolarHBondContact O-N 3.19Å | ||
| 188 | V | 88.8 | Confident | 85 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 113.2 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | L40 L42 M169 F170 F177 E190 A191 | L40-V188 HydrophobicContact CD2-CG2 3.78Å; L40-V188 HydrophobicContact CG-CG2 4.25Å; L42-V188 HydrophobicContact CD1-CG1 4.02Å; L42-V188 HydrophobicContact CD1-CG2 3.82Å; L42-V188 HydrophobicContact CG-CG1 3.88Å; L42-V188 HydrophobicContact CG-CG2 3.96Å; M169-V188 HydrophobicContact CE-CB 4.35Å; M169-V188 HydrophobicContact CE-CG2 3.81Å; M169-V188 WeakPolarHBondContact O-CB 3.42Å; M169-V188 PolarHBondContact O-N 2.71Å; F170-V188 WeakPolarHBondContact CA-O 3.32Å; F170-V188 HydrophobicContact CD1-CB 3.83Å; F170-V188 HydrophobicContact CD1-CG1 3.78Å; F170-V188 WeakPolarHBondContact CD1-O 3.39Å; F170-V188 HydrophobicContact CE1-CB 3.92Å; F170-V188 HydrophobicContact CE1-CG1 3.49Å; F170-V188 VanDerWaalsContact CE1-CG1 3.49Å; F177-V188 HydrophobicContact CE2-CG2 3.86Å; F177-V188 HydrophobicContact CZ-CG2 3.7Å; V188-E190 VanDerWaalsContact CG1-O 3.26Å; V188-E190 WeakPolarHBondContact CG1-O 3.43Å; V188-A191 HydrophobicContact CG1-CB 4.34Å |
| 189 | S | 89.5 | Confident | 85.1 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -45.7 | 177.5 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | T38 R39 L40 K158 Y187 | T38-S189 WeakPolarHBondContact CA-OG 3.08Å; R39-S189 PolarHBondContact N-OG 3.26Å; L40-S189 PolarHBondContact O-N 3.05Å; K158-S189 WeakPolarHBondContact CD-O 3.22Å; K158-S189 WeakPolarHBondContact CE-O 3.42Å; K158-S189 PolarHBondContact NZ-O 2.65Å; Y187-S189 WeakPolarHBondContact CE2-OG 3.38Å; Y187-S189 PolarHBondContact O-N 3.19Å |
| 190 | E | 86.5 | Confident | 85.2 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 156.3 | 177.6 | -72.4 | -56.3 | 143.9 | 0 | 0 | 111.5 | V41 L42 K158 V188 F192 | V41-E190 WeakPolarHBondContact CA-O 3.4Å; L42-E190 PolarHBondContact N-O 3.07Å; K158-E190 WeakPolarHBondContact CD-OE2 3.49Å; K158-E190 IonicContact NZ-OE1 3.73Å; K158-E190 PolarHBondContact NZ-OE1 2.91Å; K158-E190 IonicContact NZ-OE2 2.96Å; V188-E190 VanDerWaalsContact CG1-O 3.26Å; V188-E190 WeakPolarHBondContact CG1-O 3.43Å; E190-F192 HydrophobicContact CB-CD2 4.3Å; E190-F192 HydrophobicContact CB-CE2 3.49Å; E190-F192 VanDerWaalsContact CB-CE2 3.49Å; E190-F192 HydrophobicContact CB-CZ 3.99Å; E190-F192 HydrophobicContact CG-CE2 4.27Å; E190-F192 HydrophobicContact CG-CZ 4.33Å |
| 191 | A | 85.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 126.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L42 L157 K158 F170 V188 | L42-A191 HydrophobicContact CB-CB 3.95Å; L42-A191 CarbonylContact O-C 3.6Å; L42-A191 VanDerWaalsContact O-CA 3.31Å; L42-A191 WeakPolarHBondContact O-CA 3.45Å; L157-A191 HydrophobicContact CB-CB 3.99Å; L157-A191 WeakPolarHBondContact CB-O 3.49Å; L157-A191 HydrophobicContact CD2-CB 4.31Å; L157-A191 HydrophobicContact CG-CB 4.23Å; L157-A191 PolarHBondContact N-O 3.08Å; K158-A191 HydrophobicContact CB-CB 4.21Å; K158-A191 PolarHBondContact N-O 2.7Å; F170-A191 HydrophobicContact CE1-CB 4.16Å; V188-A191 HydrophobicContact CG1-CB 4.34Å |
| 192 | F | 83.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138.6 | -175.7 | -61.5 | -85.6 | 0 | 0 | 0 | 110.7 | I29 A33 V41 L42 I43 N44 E190 | I29-F192 HydrophobicContact CB-CD2 4.36Å; I29-F192 HydrophobicContact CB-CE2 4.38Å; I29-F192 HydrophobicContact CG2-CB 3.94Å; I29-F192 HydrophobicContact CG2-CD1 4.15Å; I29-F192 HydrophobicContact CG2-CD2 3.33Å; I29-F192 HydrophobicContact CG2-CE2 3.79Å; I29-F192 HydrophobicContact CG2-CG 3.54Å; I29-F192 HydrophobicContact CG2-CZ 4.41Å; A33-F192 HydrophobicContact CB-CE1 4.46Å; A33-F192 HydrophobicContact CB-CE2 4.07Å; A33-F192 HydrophobicContact CB-CZ 3.6Å; V41-F192 HydrophobicContact CG1-CD2 3.91Å; V41-F192 HydrophobicContact CG1-CE2 4.1Å; L42-F192 PolarHBondContact O-N 3.35Å; I43-F192 WeakPolarHBondContact CA-O 3.49Å; N44-F192 PolarHBondContact N-O 2.93Å; E190-F192 HydrophobicContact CB-CD2 4.3Å; E190-F192 HydrophobicContact CB-CE2 3.49Å; E190-F192 VanDerWaalsContact CB-CE2 3.49Å; E190-F192 HydrophobicContact CB-CZ 3.99Å; E190-F192 HydrophobicContact CG-CE2 4.27Å; E190-F192 HydrophobicContact CG-CZ 4.33Å |
| 193 | H | 82.6 | Confident | 85 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 13% | 0.13 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129.4 | 171.1 | 168.7 | 85.8 | 0 | 0 | 0 | 109 | N44 L155 L157 | N44-H193 HydrophobicContact CB-CB 4.19Å; N44-H193 VanDerWaalsContact CG-ND1 3.3Å; N44-H193 PolarHBondContact ND2-ND1 3.38Å; N44-H193 VanDerWaalsContact ND2-ND1 3.12Å; N44-H193 CarbonylContact O-C 3.59Å; N44-H193 WeakPolarHBondContact O-CA 3.37Å; L155-H193 HydrophobicContact CB-CB 4.36Å; L155-H193 PolarHBondContact N-O 3.39Å; L155-H193 PolarHBondContact O-N 2.8Å; L157-H193 HydrophobicContact CB-CB 4.44Å; L157-H193 HydrophobicContact CD2-CB 4.39Å |
| 194 | K | 82.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.3 | 172.5 | -168.4 | 162.1 | 174.9 | 174.5 | 0 | 110.1 | I25 K26 L28 N44 A45 I46 E152 Y153 E154 | I25-K194 HydrophobicContact CG2-CB 4.18Å; I25-K194 HydrophobicContact CG2-CD 3.75Å; I25-K194 HydrophobicContact CG2-CG 3.92Å; K26-K194 PolarHBondContact O-NZ 3.38Å; L28-K194 HydrophobicContact CD1-CB 3.26Å; L28-K194 HydrophobicContact CD1-CD 4.3Å; L28-K194 HydrophobicContact CD1-CG 4.38Å; N44-K194 PolarHBondContact O-N 3.43Å; A45-K194 WeakPolarHBondContact CA-O 3.2Å; I46-K194 PolarHBondContact N-O 3.34Å; E152-K194 WeakPolarHBondContact OE1-CE 3.21Å; E152-K194 IonicContact OE1-NZ 3.33Å; E152-K194 PolarHBondContact OE1-NZ 3.1Å; Y153-K194 CarbonylContact O-C 3.54Å; Y153-K194 VanDerWaalsContact O-CA 3.22Å; Y153-K194 WeakPolarHBondContact O-CA 3.45Å; Y153-K194 WeakPolarHBondContact O-CG 3.14Å; E154-K194 HydrophobicContact CB-CD 4.47Å; E154-K194 HydrophobicContact CB-CG 4.47Å |
| 195 | A | 80.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 11% | 0.107 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I46 E152 Y153 F249 | I46-A195 HydrophobicContact CG2-CB 3.66Å; I46-A195 CarbonylContact O-C 3.53Å; I46-A195 WeakPolarHBondContact O-CA 3.34Å; E152-A195 WeakPolarHBondContact CA-O 3.34Å; Y153-A195 PolarHBondContact N-O 3.06Å; Y153-A195 PolarHBondContact O-N 3.17Å; A195-F249 HydrophobicContact CB-CE1 4.27Å |
| 196 | F | 81.9 | Confident | 79.1 | Confident | 3 Ų | 3 | 17.9 Ų | 17.9 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 123.7 | 171.2 | -172.9 | -67.9 | 0 | 0 | 0 | 108.9 | K24 I25 I46 Y47 F48 K150 L151 E152 E198 | K24-F196 HydrophobicContact CD-CE1 4.37Å; K24-F196 HydrophobicContact CD-CZ 4.12Å; K24-F196 WeakPolarHBondContact O-CD2 3.33Å; I25-F196 HydrophobicContact CD1-CB 4.22Å; I25-F196 HydrophobicContact CG1-CB 4.03Å; I46-F196 PolarHBondContact O-N 2.86Å; Y47-F196 WeakPolarHBondContact CA-O 3.08Å; Y47-F196 HydrophobicContact CD2-CB 4.12Å; Y47-F196 AromaticContact CD2-CD1 3.45Å; Y47-F196 HydrophobicContact CD2-CD1 3.45Å; Y47-F196 VanDerWaalsContact CD2-CD1 3.45Å; Y47-F196 HydrophobicContact CD2-CE1 4.09Å; Y47-F196 HydrophobicContact CD2-CG 4.02Å; Y47-F196 AromaticContact CE2-CD1 3.6Å; Y47-F196 HydrophobicContact CE2-CD1 3.6Å; Y47-F196 AromaticContact CE2-CE1 3.75Å; Y47-F196 HydrophobicContact CE2-CE1 3.75Å; F48-F196 PolarHBondContact N-O 2.97Å; K150-F196 HydrophobicContact CD-CE2 4.25Å; K150-F196 HydrophobicContact CD-CZ 3.76Å; K150-F196 HydrophobicContact CG-CE1 4.48Å; K150-F196 HydrophobicContact CG-CE2 4.49Å; K150-F196 HydrophobicContact CG-CZ 4.08Å; L151-F196 WeakPolarHBondContact O-CA 3.31Å; E152-F196 HydrophobicContact CB-CD2 4.45Å; F196-E198 HydrophobicContact CE1-CB 3.87Å |
| 197 | I | 83.4 | Confident | 76.1 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.036 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.2 | 170.3 | -174.5 | 174.6 | 0 | 0 | 0 | 108.7 | M107 K150 L151 I199 F237 I239 | M107-I197 HydrophobicContact CE-CD1 4.44Å; K150-I197 WeakPolarHBondContact CA-O 3.46Å; L151-I197 HydrophobicContact CB-CG2 3.77Å; L151-I197 HydrophobicContact CD1-CG2 4.28Å; L151-I197 HydrophobicContact CG-CG2 4.46Å; L151-I197 PolarHBondContact N-O 3.18Å; L151-I197 PolarHBondContact O-N 3.16Å; I197-I199 HydrophobicContact CD1-CD1 4.04Å; I197-I199 HydrophobicContact CD1-CG1 4.33Å; I197-I199 HydrophobicContact CG1-CD1 4.07Å; I197-I199 HydrophobicContact CG1-CG1 4.22Å; I197-F237 HydrophobicContact CD1-CE2 4.07Å; I197-I239 HydrophobicContact CD1-CD1 3.68Å |
| 198 | E | 86.4 | Confident | 73.1 | Confident | 40 Ų | 40 | 24.1 Ų | 24.1 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135 | 172.3 | -176.8 | 176.2 | 137.6 | 0 | 0 | 107.7 | K150 F196 N200 S204 | K150-E198 HydrophobicContact CB-CG 4.3Å; F196-E198 HydrophobicContact CE1-CB 3.87Å; E198-N200 PolarHBondContact OE1-ND2 2.98Å; E198-N200 VanDerWaalsContact OE1-ND2 3.16Å; E198-S204 WeakPolarHBondContact O-CA 3.48Å; E198-S204 WeakPolarHBondContact O-CB 3.28Å; E198-S204 PolarHBondContact O-OG 2.82Å |
| 199 | I | 90.3 | Very high | 70 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 112 | -177.5 | -65.4 | -57.5 | 0 | 0 | 0 | 106.9 | W52 M79 M107 K148 F149 I197 | W52-I199 HydrophobicContact CH2-CD1 4.34Å; W52-I199 HydrophobicContact CZ2-CD1 4.31Å; W52-I199 HydrophobicContact CZ2-CG2 4.24Å; M79-I199 HydrophobicContact CE-CG2 3.82Å; M107-I199 HydrophobicContact CE-CD1 3.88Å; M107-I199 HydrophobicContact CE-CG1 4.06Å; M107-I199 HydrophobicContact SD-CD1 3.38Å; M107-I199 WeakPolarHBondContact SD-CD1 3.21Å; M107-I199 HydrophobicContact SD-CG1 4.18Å; K148-I199 WeakPolarHBondContact CA-O 3.26Å; K148-I199 WeakPolarHBondContact CG-O 3.45Å; F149-I199 HydrophobicContact CD1-CB 4.23Å; F149-I199 HydrophobicContact CD1-CG2 4.4Å; F149-I199 HydrophobicContact CD2-CB 4.19Å; F149-I199 HydrophobicContact CD2-CG1 4.13Å; F149-I199 HydrophobicContact CE1-CB 4.06Å; F149-I199 HydrophobicContact CE1-CG1 4.08Å; F149-I199 HydrophobicContact CE1-CG2 4.1Å; F149-I199 HydrophobicContact CE2-CB 4.07Å; F149-I199 HydrophobicContact CE2-CG1 3.55Å; F149-I199 HydrophobicContact CG-CB 4.29Å; F149-I199 HydrophobicContact CZ-CB 4.02Å; F149-I199 HydrophobicContact CZ-CG1 3.54Å; F149-I199 HydrophobicContact CZ-CG2 4.41Å; F149-I199 PolarHBondContact N-O 3.14Å; F149-I199 PolarHBondContact O-N 2.87Å; I197-I199 HydrophobicContact CD1-CD1 4.04Å; I197-I199 HydrophobicContact CD1-CG1 4.33Å; I197-I199 HydrophobicContact CG1-CD1 4.07Å; I197-I199 HydrophobicContact CG1-CG1 4.22Å |
| 200 | N | 91.3 | Very high | 67.1 | Low | 14 Ų | 14 | 34.7 Ų | 34.7 | 8% | 0.075 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -139.3 | -176.9 | -179.7 | 70.4 | 52.7 | 0 | 0 | 0 | 111.5 | W52 M79 K148 E198 K202 G203 E205 | W52-N200 PolarHBondContact NE1-O 3.33Å; M79-N200 VanDerWaalsContact SD-CA 3.6Å; K148-N200 HydrophobicContact CD-CB 4.45Å; K148-N200 HydrophobicContact CG-CB 4.26Å; E198-N200 PolarHBondContact OE1-ND2 2.98Å; E198-N200 VanDerWaalsContact OE1-ND2 3.16Å; N200-K202 PolarHBondContact O-N 2.81Å; N200-K202 VanDerWaalsContact O-N 3.17Å; N200-K202 PolarHBondContact OD1-N 2.82Å; N200-K202 VanDerWaalsContact OD1-N 3.1Å; N200-G203 CarbonylContact C-O 3.49Å; N200-G203 VanDerWaalsContact CG-O 3.23Å; N200-G203 PolarHBondContact N-O 2.9Å; N200-G203 PolarHBondContact O-N 2.86Å; N200-G203 VanDerWaalsContact O-N 3.14Å; N200-G203 VanDerWaalsContact O-O 3.12Å; N200-G203 PolarHBondContact OD1-O 2.78Å; N200-G203 VanDerWaalsContact OD1-O 3.06Å; N200-E205 PolarHBondContact ND2-N 3.25Å |
| 201 | E | 91.7 | Very high | 64 | Low | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27 | -168.4 | -64.9 | 90.8 | 155.7 | 0 | 0 | 113.2 | P55 F56 T58 T61 M79 K148 | P55-E201 CarbonylContact C-O 3.59Å; P55-E201 WeakPolarHBondContact CA-O 3.44Å; P55-E201 WeakPolarHBondContact CB-O 3.08Å; F56-E201 HydrophobicContact CB-CB 3.93Å; F56-E201 HydrophobicContact CB-CG 4.16Å; F56-E201 PolarHBondContact N-O 2.88Å; T58-E201 HydrophobicContact CG2-CB 3.9Å; T58-E201 HydrophobicContact CG2-CG 3.83Å; T61-E201 VanDerWaalsContact OG1-CG 3.3Å; T61-E201 WeakPolarHBondContact OG1-CG 3.47Å; T61-E201 PolarHBondContact OG1-OE1 2.94Å; M79-E201 HydrophobicContact CG-CG 4.09Å; M79-E201 HydrophobicContact SD-CB 4.36Å; M79-E201 HydrophobicContact SD-CG 3.84Å; M79-E201 PolarHBondContact SD-N 2.84Å; K148-E201 VanDerWaalsContact CE-OE2 3.25Å; K148-E201 WeakPolarHBondContact CE-OE2 3.47Å; K148-E201 VanDerWaalsContact NZ-CD 3.29Å; K148-E201 IonicContact NZ-OE1 2.65Å; K148-E201 PolarHBondContact NZ-OE1 2.78Å; K148-E201 IonicContact NZ-OE2 3.89Å; K148-E201 PolarHBondContact NZ-OE2 3.47Å |
| 202 | K | 81.4 | Confident | 61.3 | Low | 60 Ų | 60 | 43.1 Ų | 43.1 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -22.9 | -179.4 | -61.4 | -174.8 | -176.3 | -172.9 | 0 | 112.6 | D51 W52 N200 A208 | D51-K202 CarbonylContact C-O 3.4Å; D51-K202 WeakPolarHBondContact CA-O 3.38Å; W52-K202 PolarHBondContact N-O 2.79Å; N200-K202 PolarHBondContact O-N 2.81Å; N200-K202 VanDerWaalsContact O-N 3.17Å; N200-K202 PolarHBondContact OD1-N 2.82Å; N200-K202 VanDerWaalsContact OD1-N 3.1Å; K202-A208 VanDerWaalsContact CE-O 3.32Å; K202-A208 WeakPolarHBondContact CE-O 3.25Å; K202-A208 PolarHBondContact NZ-O 3.27Å |
| 203 | G | 70.2 | Confident | 58.5 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | 141.7 | -146 | -168.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A50 W52 N200 E205 | A50-G203 CarbonylContact O-C 3.58Å; A50-G203 WeakPolarHBondContact O-CA 3.23Å; W52-G203 VanDerWaalsContact NE1-CA 3.32Å; N200-G203 CarbonylContact C-O 3.49Å; N200-G203 VanDerWaalsContact CG-O 3.23Å; N200-G203 PolarHBondContact N-O 2.9Å; N200-G203 PolarHBondContact O-N 2.86Å; N200-G203 VanDerWaalsContact O-N 3.14Å; N200-G203 VanDerWaalsContact O-O 3.12Å; N200-G203 PolarHBondContact OD1-O 2.78Å; N200-G203 VanDerWaalsContact OD1-O 3.06Å; G203-E205 PolarHBondContact O-N 3.19Å |
| 204 | S | 57.8 | Low | 55.8 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -88.4 | 79 | 158.7 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | K49 A50 E198 | K49-S204 VanDerWaalsContact CA-O 3.3Å; K49-S204 WeakPolarHBondContact CA-O 3.4Å; K49-S204 WeakPolarHBondContact CG-O 3.22Å; A50-S204 PolarHBondContact N-O 2.88Å; A50-S204 PolarHBondContact O-N 3.37Å; E198-S204 WeakPolarHBondContact O-CA 3.48Å; E198-S204 WeakPolarHBondContact O-CB 3.28Å; E198-S204 PolarHBondContact O-OG 2.82Å |
| 205 | E | 40.3 | Very low | 53.4 | Low | 18 Ų | 18 | 64.1 Ų | 64.1 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 60.1 | 143 | 177.5 | -69.6 | 177.2 | 53.7 | 0 | 0 | 118.3 | K24 Y47 K49 N200 G203 | K24-E205 WeakPolarHBondContact CE-OE2 3.3Å; K24-E205 IonicContact NZ-OE1 3.62Å; K24-E205 PolarHBondContact NZ-OE1 2.82Å; K24-E205 IonicContact NZ-OE2 2.63Å; K24-E205 PolarHBondContact NZ-OE2 3.23Å; Y47-E205 PolarHBondContact OH-OE1 3.09Å; Y47-E205 PolarHBondContact OH-OE2 3.5Å; K49-E205 HydrophobicContact CD-CB 4.29Å; K49-E205 WeakPolarHBondContact CE-O 3.35Å; K49-E205 HydrophobicContact CG-CB 4.09Å; K49-E205 VanDerWaalsContact NZ-CB 3.32Å; K49-E205 IonicContact NZ-OE1 2.64Å; K49-E205 PolarHBondContact NZ-OE1 3.05Å; N200-E205 PolarHBondContact ND2-N 3.25Å; G203-E205 PolarHBondContact O-N 3.19Å |
| 206 | A | 29.7 | Very low | 50.9 | Low | 49 Ų | 49 | 72.8 Ų | 72.8 | 41% | 0.405 | 43% | 0.426 | S | S | . | . | cis | -172.9 | 172.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 207 | A | 24.1 | Very low | 48.9 | Very low | 89 Ų | 89 | 77 Ų | 77 | 74% | 0.736 | 46% | 0.462 | S | S | * | . | trans | 36.8 | 84.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 208 | A | 26.3 | Very low | 46.4 | Very low | 82 Ų | 82 | 83.2 Ų | 83.2 | 68% | 0.678 | 50% | 0.5 | S | S | * | . | -152 | 178.9 | 101.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K202 | K202-A208 VanDerWaalsContact CE-O 3.32Å; K202-A208 WeakPolarHBondContact CE-O 3.25Å; K202-A208 PolarHBondContact NZ-O 3.27Å | |||
| 209 | A | 24.2 | Very low | 44.2 | Very low | 96 Ų | 96 | 85.5 Ų | 85.5 | 79% | 0.793 | 52% | 0.52 | S | S | * | . | trans | -119 | 136.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 210 | T | 27.3 | Very low | 41.5 | Very low | 139 Ų | 139 | 92.7 Ų | 92.7 | 85% | 0.853 | 56% | 0.564 | S | S | * | * | trans | -146.6 | 129.8 | 165.8 | -28.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 211 | A | 23.1 | Very low | 39.2 | Very low | 98 Ų | 98 | 94.4 Ų | 94.4 | 81% | 0.81 | 59% | 0.585 | S | S | * | * | trans | -91 | 133.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 212 | I | 27.3 | Very low | 36.8 | Very low | 132 Ų | 132 | 100.7 Ų | 100.7 | 68% | 0.677 | 62% | 0.624 | S | S | * | * | trans | -132.2 | 134.9 | 165.7 | -59.7 | -176.4 | 0 | 0 | 0 | 110.6 | K57 | K57-I212 PolarHBondContact NZ-O 2.65Š| ||
| 213 | I | 25.8 | Very low | 34.9 | Very low | 148 Ų | 148 | 107 Ų | 107 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.2 | -172 | -65.1 | 153.2 | 0 | 0 | 0 | 111.2 | ||
| 214 | F | 26.6 | Very low | 34.4 | Very low | 165 Ų | 165 | 115.1 Ų | 115.1 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 125.7 | 163.4 | -81.9 | -82.4 | 0 | 0 | 0 | 108.8 | ||
| 215 | M | 31.2 | Very low | 35.4 | Very low | 178 Ų | 178 | 119.6 Ų | 119.6 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 124.9 | 159.7 | -75.6 | -177.8 | 171.7 | 0 | 0 | 108 | ||
| 216 | E | 28.4 | Very low | 37.5 | Very low | 195 Ų | 195 | 121 Ų | 121 | 91% | 0.911 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -75 | 123.8 | 170.4 | -63.1 | -176 | 144.5 | 0 | 0 | 108.8 | ||
| 217 | A | 39.7 | Very low | 40.5 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -115 | 121.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 218 | T | 31.6 | Very low | 44 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -85.9 | 120.9 | -175.5 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 219 | S | 39.8 | Very low | 47.3 | Very low | 87 Ų | 87 | 117.4 Ų | 117.4 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -156.9 | 137 | 155.9 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | R223 | S219-R223 PolarHBondContact O-NH2 2.8Š| ||
| 220 | V | 34.4 | Very low | 50.8 | Low | 151 Ų | 151 | 116 Ų | 116 | 92% | 0.915 | 65% | 0.654 | S | S | * | * | trans | -106.9 | 78.7 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 221 | G | 43.6 | Very low | 54.2 | Low | 51 Ų | 51 | 109.4 Ų | 109.4 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -102.2 | 156.8 | 154 | 0 | 0 | 0 | 0 | 0 | 108.3 | R223 | G221-R223 WeakPolarHBondContact O-CG 3.3Å; G221-R223 PolarHBondContact O-N 2.91Å |
| 222 | V | 39.8 | Very low | 57.7 | Low | 146 Ų | 146 | 106.3 Ų | 106.3 | 89% | 0.885 | 58% | 0.584 | S | S | * | * | trans | -46.4 | 100.1 | -175.6 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | M224 | V222-M224 VanDerWaalsContact C-N 3.29Å; V222-M224 PolarHBondContact O-N 2.8Å | ||
| 223 | R | 43 | Very low | 61 | Low | 194 Ų | 194 | 100.4 Ų | 100.4 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | trans | -77.6 | 81.6 | -174 | -73.6 | -172.3 | 175.5 | -171.5 | -4.7 | 109.5 | S219 G221 S225 | S219-R223 PolarHBondContact O-NH2 2.8Å; G221-R223 WeakPolarHBondContact O-CG 3.3Å; G221-R223 PolarHBondContact O-N 2.91Å; R223-S225 PolarHBondContact O-N 2.76Å; R223-S225 VanDerWaalsContact O-N 3.09Å | ||
| 224 | M | 59.2 | Low | 64.3 | Low | 170 Ų | 170 | 93.5 Ų | 93.5 | 84% | 0.837 | 52% | 0.518 | S | S | * | . | trans | -55.2 | 115.2 | 153.6 | -66 | -167.1 | -63.5 | 0 | 0 | 106.6 | V222 | V222-M224 VanDerWaalsContact C-N 3.29Å; V222-M224 PolarHBondContact O-N 2.8Å | ||
| 225 | S | 78 | Confident | 67.5 | Low | 95 Ų | 95 | 85.6 Ų | 85.6 | 66% | 0.664 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 134.4 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 108.4 | R223 | R223-S225 PolarHBondContact O-N 2.76Å; R223-S225 VanDerWaalsContact O-N 3.09Å |
| 226 | P | 85.7 | Confident | 70.5 | Confident | 48 Ų | 48 | 77.2 Ų | 77.2 | 31% | 0.312 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 143 | 178.9 | 24.4 | -33.9 | 0 | 0 | 0 | 109.6 | Q141 K228 | Q141-P226 HydrophobicContact CG-CB 4.11Å; Q141-P226 VanDerWaalsContact O-CB 3.23Å; Q141-P226 WeakPolarHBondContact O-CB 3.5Å; P226-K228 PolarHBondContact O-N 2.81Å |
| 227 | P | 92.7 | Very high | 73.6 | Confident | 41 Ų | 41 | 68.2 Ų | 68.2 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 142.1 | 173.9 | 23.5 | -34.8 | 0 | 0 | 0 | 110 | Y87 Q141 V142 E143 | Y87-P227 HydrophobicContact CD1-CG 4.22Å; Y87-P227 HydrophobicContact CE1-CB 3.92Å; Y87-P227 HydrophobicContact CE1-CG 3.95Å; Y87-P227 HydrophobicContact CE2-CB 4.39Å; Q141-P227 WeakPolarHBondContact O-CD 3.38Å; V142-P227 WeakPolarHBondContact CA-O 3.39Å; V142-P227 WeakPolarHBondContact CG1-O 3.35Å; V142-P227 HydrophobicContact CG2-CG 4.23Å; E143-P227 PolarHBondContact N-O 3.43Å |
| 228 | K | 95.7 | Very high | 76.1 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 127.2 | 175.5 | -51.4 | -164.3 | 177.4 | -134.5 | 0 | 108.7 | Q94 E143 P226 I230 | Q94-K228 PolarHBondContact NE2-O 2.82Å; E143-K228 HydrophobicContact CB-CB 4.48Å; E143-K228 HydrophobicContact CB-CG 4.13Å; E143-K228 HydrophobicContact CG-CD 4.43Å; E143-K228 HydrophobicContact CG-CG 4.29Å; E143-K228 CarbonylContact O-C 3.57Å; E143-K228 WeakPolarHBondContact O-CA 3.06Å; E143-K228 IonicContact OE1-NZ 2.89Å; E143-K228 PolarHBondContact OE1-NZ 2.8Å; E143-K228 WeakPolarHBondContact OE2-CE 2.94Å; E143-K228 IonicContact OE2-NZ 2.69Å; E143-K228 PolarHBondContact OE2-NZ 3.35Å; P226-K228 PolarHBondContact O-N 2.81Å; K228-I230 HydrophobicContact CB-CD1 4.42Å; K228-I230 HydrophobicContact CB-CG1 4.24Å |
| 229 | L | 97.4 | Very high | 79 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 113.2 | 163.6 | -170.2 | 158.7 | 0 | 0 | 0 | 107.6 | Q94 L96 L111 V142 E143 H145 I146 A231 | Q94-L229 HydrophobicContact CB-CD1 4.08Å; Q94-L229 HydrophobicContact CB-CG 4.5Å; L96-L229 HydrophobicContact CB-CD1 3.51Å; L96-L229 HydrophobicContact CD2-CD1 4.18Å; L96-L229 HydrophobicContact CG-CD1 4.48Å; L111-L229 HydrophobicContact CB-CD1 4.45Å; L111-L229 HydrophobicContact CB-CG 4.46Å; L111-L229 HydrophobicContact CD2-CD2 3.82Å; L111-L229 HydrophobicContact CD2-CG 3.82Å; V142-L229 HydrophobicContact CG1-CB 4.41Å; E143-L229 PolarHBondContact O-N 3.32Å; H145-L229 PolarHBondContact N-O 3.23Å; I146-L229 HydrophobicContact CD1-CD2 3.76Å; L229-A231 HydrophobicContact CD2-CB 4.18Å |
| 230 | I | 97.5 | Very high | 81.3 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 34% | 0.338 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 100.1 | 180 | -51.7 | 179.5 | 0 | 0 | 0 | 108.4 | L111 H145 K228 D232 | L111-I230 VanDerWaalsContact CD2-O 3.31Å; L111-I230 WeakPolarHBondContact CD2-O 3.38Å; H145-I230 HydrophobicContact CB-CB 4.4Å; H145-I230 HydrophobicContact CB-CG1 4.36Å; H145-I230 HydrophobicContact CB-CG2 4.09Å; K228-I230 HydrophobicContact CB-CD1 4.42Å; K228-I230 HydrophobicContact CB-CG1 4.24Å; I230-D232 HydrophobicContact CG2-CB 4.04Å; I230-D232 PolarHBondContact O-N 3.02Å |
| 231 | A | 97.4 | Very high | 83.9 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | trans | -79.8 | 57 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F66 L111 H145 I146 P147 L229 H233 F235 | F66-A231 WeakPolarHBondContact CE2-O 3.19Å; L111-A231 HydrophobicContact CD1-CB 4.24Å; H145-A231 PolarHBondContact O-N 3.4Å; I146-A231 HydrophobicContact CD1-CB 3.76Å; P147-A231 WeakPolarHBondContact CD-O 3.4Å; L229-A231 HydrophobicContact CD2-CB 4.18Å; A231-H233 VanDerWaalsContact C-N 3.25Å; A231-H233 PolarHBondContact O-N 2.96Å; A231-F235 HydrophobicContact CB-CD1 3.73Å; A231-F235 HydrophobicContact CB-CE1 3.81Å | ||
| 232 | D | 97 | Very high | 85.9 | Confident | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | trans | -82.8 | 5.7 | 178.3 | 73.6 | -17.9 | 0 | 0 | 0 | 113.6 | F66 Y67 K115 I230 | F66-D232 CarbonylContact C-O 3.44Å; F66-D232 WeakPolarHBondContact CA-O 3.44Å; F66-D232 VanDerWaalsContact CD2-C 3.44Å; Y67-D232 HydrophobicContact CD2-CB 4.25Å; Y67-D232 WeakPolarHBondContact CD2-O 3.27Å; Y67-D232 WeakPolarHBondContact CD2-OD2 3.32Å; Y67-D232 HydrophobicContact CE2-CB 4.4Å; Y67-D232 WeakPolarHBondContact CE2-OD2 3.15Å; Y67-D232 PolarHBondContact N-O 3.34Å; K115-D232 IonicContact NZ-OD2 3.68Å; I230-D232 HydrophobicContact CG2-CB 4.04Å; I230-D232 PolarHBondContact O-N 3.02Å | ||
| 233 | H | 95.9 | Very high | 88.1 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -154.9 | 172.8 | -176.6 | 67.6 | -94.2 | 0 | 0 | 0 | 110.2 | F66 L111 P112 K115 A231 F235 | F66-H233 WeakPolarHBondContact CE2-O 3.25Å; F66-H233 WeakPolarHBondContact CZ-O 3.38Å; L111-H233 VanDerWaalsContact CD1-CE1 3.48Å; L111-H233 WeakPolarHBondContact CD1-CE1 3.19Å; L111-H233 WeakPolarHBondContact CD1-NE2 3.41Å; P112-H233 PolarHBondContact O-CE1 2.72Å; P112-H233 VanDerWaalsContact O-CE1 3.27Å; P112-H233 PolarHBondContact O-NE2 3.07Å; K115-H233 HydrophobicContact CB-CB 4.27Å; K115-H233 WeakPolarHBondContact O-CB 3.41Å; K115-H233 PolarHBondContact O-CD2 3.07Å; A231-H233 VanDerWaalsContact C-N 3.25Å; A231-H233 PolarHBondContact O-N 2.96Å; H233-F235 WeakPolarHBondContact O-CD1 3.27Å; H233-F235 PolarHBondContact O-N 2.98Å |
| 234 | P | 95.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | trans | -57.1 | 127.1 | -170.6 | -29.6 | 35.2 | 0 | 0 | 0 | 115.3 | F66 Y67 V68 P112 L118 Y253 Y254 | F66-P234 HydrophobicContact CE1-CG 4.37Å; F66-P234 HydrophobicContact CZ-CG 4.49Å; Y67-P234 WeakPolarHBondContact O-CD 3.29Å; V68-P234 WeakPolarHBondContact O-CG 3.5Å; P112-P234 WeakPolarHBondContact CD-O 3.31Å; L118-P234 HydrophobicContact CB-CB 4.12Å; L118-P234 HydrophobicContact CD2-CB 3.53Å; L118-P234 HydrophobicContact CG-CB 4.44Å; P234-Y253 WeakPolarHBondContact CA-O 3.37Å; P234-Y253 WeakPolarHBondContact CB-O 3.49Å; P234-Y254 HydrophobicContact CB-CD1 3.63Å; P234-Y254 HydrophobicContact CB-CE1 3.64Å; P234-Y254 HydrophobicContact CB-CG 4.14Å; P234-Y254 HydrophobicContact CG-CD1 3.43Å; P234-Y254 VanDerWaalsContact CG-CD1 3.43Å; P234-Y254 HydrophobicContact CG-CE1 3.73Å; P234-Y254 HydrophobicContact CG-CG 4.2Å | ||
| 235 | F | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 159.6 | 178.7 | 57 | -92.9 | 0 | 0 | 0 | 112.5 | F66 F109 L111 P147 F149 A231 H233 F237 V252 Y253 | F66-F235 HydrophobicContact CE2-CE1 4.27Å; F109-F235 AromaticContact CD1-CD2 3.97Å; F109-F235 HydrophobicContact CD1-CD2 3.97Å; F109-F235 AromaticContact CD1-CE2 3.75Å; F109-F235 HydrophobicContact CD1-CE2 3.75Å; F109-F235 HydrophobicContact CD1-CZ 4.48Å; F109-F235 HydrophobicContact CE1-CE2 4Å; L111-F235 HydrophobicContact CD1-CB 3.83Å; P147-F235 HydrophobicContact CG-CE1 3.68Å; P147-F235 HydrophobicContact CG-CZ 3.91Å; F149-F235 HydrophobicContact CD1-CZ 4.39Å; F149-F235 HydrophobicContact CE1-CE2 4.11Å; F149-F235 AromaticContact CE1-CZ 3.74Å; F149-F235 HydrophobicContact CE1-CZ 3.74Å; F149-F235 HydrophobicContact CZ-CE2 4.42Å; F149-F235 HydrophobicContact CZ-CZ 4.45Å; A231-F235 HydrophobicContact CB-CD1 3.73Å; A231-F235 HydrophobicContact CB-CE1 3.81Å; H233-F235 WeakPolarHBondContact O-CD1 3.27Å; H233-F235 PolarHBondContact O-N 2.98Å; F235-F237 HydrophobicContact CD2-CB 4.32Å; F235-F237 HydrophobicContact CD2-CD1 4.42Å; F235-F237 HydrophobicContact CE2-CB 4.25Å; F235-F237 HydrophobicContact CE2-CD1 4.07Å; F235-V252 WeakPolarHBondContact O-CA 3.34Å; F235-Y253 HydrophobicContact CD1-CD1 4.47Å; F235-Y253 AromaticContact CE1-CD1 3.59Å; F235-Y253 HydrophobicContact CE1-CD1 3.59Å; F235-Y253 AromaticContact CE1-CG 3.91Å; F235-Y253 HydrophobicContact CE1-CG 3.91Å; F235-Y253 HydrophobicContact CE2-CG 4.33Å; F235-Y253 AromaticContact CZ-CD1 3.79Å; F235-Y253 HydrophobicContact CZ-CD1 3.79Å; F235-Y253 AromaticContact CZ-CG 3.67Å; F235-Y253 HydrophobicContact CZ-CG 3.67Å; F235-Y253 PolarHBondContact N-O 3.07Å; F235-Y253 PolarHBondContact O-N 2.88Å |
| 236 | L | 94.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 142.8 | 164.3 | 177.1 | 150.8 | 0 | 0 | 0 | 109 | V110 L118 M121 L125 L130 V250 G251 V252 | V110-L236 HydrophobicContact CB-CB 4.33Å; V110-L236 HydrophobicContact CB-CD2 4.16Å; V110-L236 HydrophobicContact CG2-CD2 3.92Å; V110-L236 PolarHBondContact N-O 2.83Å; V110-L236 PolarHBondContact O-N 2.91Å; L118-L236 HydrophobicContact CD1-CB 4.21Å; M121-L236 HydrophobicContact CE-CB 3.53Å; M121-L236 HydrophobicContact CE-CD1 4.37Å; L125-L236 HydrophobicContact CD1-CD1 4.22Å; L130-L236 HydrophobicContact CD1-CD2 4.06Å; L236-V250 HydrophobicContact CD1-CG2 4.08Å; L236-V250 HydrophobicContact CD2-CG2 4.19Å; L236-V250 HydrophobicContact CG-CG2 4.13Å; L236-G251 WeakPolarHBondContact CA-O 3.44Å; L236-V252 HydrophobicContact CB-CG1 4.41Å |
| 237 | F | 93.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.022 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.3 | 169.2 | 65.5 | -93.1 | 0 | 0 | 0 | 111 | M107 Y108 F109 F149 L151 I197 F235 V250 G251 | M107-F237 HydrophobicContact CE-CB 3.54Å; M107-F237 HydrophobicContact CE-CD2 3.58Å; M107-F237 HydrophobicContact CE-CE2 4.47Å; M107-F237 HydrophobicContact CE-CG 3.67Å; Y108-F237 CarbonylContact O-C 3.58Å; Y108-F237 WeakPolarHBondContact O-CA 3.37Å; F109-F237 HydrophobicContact CD1-CB 4.38Å; F149-F237 HydrophobicContact CE2-CE1 4.45Å; F149-F237 HydrophobicContact CZ-CD1 4.31Å; F149-F237 HydrophobicContact CZ-CE1 4.39Å; L151-F237 HydrophobicContact CD1-CE1 3.62Å; L151-F237 HydrophobicContact CD1-CZ 3.51Å; I197-F237 HydrophobicContact CD1-CE2 4.07Å; F235-F237 HydrophobicContact CD2-CB 4.32Å; F235-F237 HydrophobicContact CD2-CD1 4.42Å; F235-F237 HydrophobicContact CE2-CB 4.25Å; F235-F237 HydrophobicContact CE2-CD1 4.07Å; F237-V250 CarbonylContact O-C 3.59Å; F237-V250 WeakPolarHBondContact O-CA 3.29Å; F237-G251 VanDerWaalsContact CE1-C 3.49Å; F237-G251 PolarHBondContact N-O 3.23Å; F237-G251 PolarHBondContact O-N 3Å |
| 238 | A | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | M107 Y108 F134 V247 F249 V250 | M107-A238 CarbonylContact C-O 3.56Å; M107-A238 VanDerWaalsContact CA-O 3.3Å; M107-A238 WeakPolarHBondContact CA-O 3.45Å; Y108-A238 PolarHBondContact N-O 2.92Å; Y108-A238 PolarHBondContact O-N 3.35Å; F134-A238 HydrophobicContact CE2-CB 4Å; F134-A238 HydrophobicContact CZ-CB 3.67Å; A238-V247 HydrophobicContact CB-CG1 4.4Å; A238-F249 CarbonylContact C-O 3.53Å; A238-F249 WeakPolarHBondContact CA-O 3.39Å; A238-F249 WeakPolarHBondContact CB-O 3.49Å; A238-V250 HydrophobicContact CB-CG2 4.46Å |
| 239 | I | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.2 | 165.9 | -60.7 | 163.7 | 0 | 0 | 0 | 107 | F48 Y100 L106 M107 I197 L248 F249 | F48-I239 HydrophobicContact CB-CD1 4.33Å; F48-I239 HydrophobicContact CD1-CD1 3.49Å; F48-I239 VanDerWaalsContact CD1-CD1 3.49Å; F48-I239 HydrophobicContact CD2-CD1 3.9Å; F48-I239 HydrophobicContact CE1-CD1 3.68Å; F48-I239 HydrophobicContact CE2-CD1 4.06Å; F48-I239 HydrophobicContact CE2-CG2 3.94Å; F48-I239 HydrophobicContact CG-CD1 3.6Å; F48-I239 HydrophobicContact CZ-CD1 3.95Å; F48-I239 HydrophobicContact CZ-CG2 3.94Å; Y100-I239 HydrophobicContact CE2-CG1 4.44Å; Y100-I239 HydrophobicContact CE2-CG2 4.19Å; L106-I239 WeakPolarHBondContact O-CA 3.47Å; M107-I239 HydrophobicContact CB-CG1 4.48Å; M107-I239 HydrophobicContact CG-CG1 4.32Å; I197-I239 HydrophobicContact CD1-CD1 3.68Å; I239-L248 HydrophobicContact CB-CB 4.46Å; I239-L248 HydrophobicContact CG2-CB 4.34Å; I239-L248 HydrophobicContact CG2-CD1 4.1Å; I239-L248 PolarHBondContact O-N 3.28Å; I239-F249 HydrophobicContact CB-CB 4.13Å; I239-F249 HydrophobicContact CB-CD2 4.31Å; I239-F249 HydrophobicContact CD1-CB 4.22Å; I239-F249 HydrophobicContact CD1-CD2 3.83Å; I239-F249 HydrophobicContact CD1-CE2 4.43Å; I239-F249 HydrophobicContact CD1-CG 4.21Å; I239-F249 HydrophobicContact CG1-CB 4.34Å; I239-F249 PolarHBondContact N-O 3.48Å; I239-F249 PolarHBondContact O-N 3.32Å |
| 240 | M | 90 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.9 | -173.4 | -177.3 | -178.9 | 178.8 | 0 | 0 | 110.9 | L105 L106 Y108 L131 F134 R242 R245 I246 | L105-M240 WeakPolarHBondContact CA-O 3.28Å; L106-M240 PolarHBondContact N-O 2.94Å; L106-M240 PolarHBondContact O-N 3.01Å; Y108-M240 HydrophobicContact CD2-CB 4.11Å; Y108-M240 HydrophobicContact CD2-SD 4.36Å; Y108-M240 HydrophobicContact CE2-CB 4.17Å; Y108-M240 HydrophobicContact CE2-SD 3.88Å; L131-M240 HydrophobicContact CD2-CE 3.52Å; L131-M240 HydrophobicContact CD2-SD 4.27Å; F134-M240 HydrophobicContact CB-SD 4.08Å; F134-M240 HydrophobicContact CD2-SD 3.48Å; F134-M240 WeakPolarHBondContact CD2-SD 3.39Å; F134-M240 HydrophobicContact CE2-SD 4.28Å; F134-M240 HydrophobicContact CG-SD 4.17Å; M240-R242 PolarHBondContact O-N 2.82Å; M240-R245 HydrophobicContact CE-CB 4.06Å; M240-R245 HydrophobicContact CE-CG 4.25Å; M240-I246 CarbonylContact C-O 3.48Å; M240-I246 WeakPolarHBondContact CA-O 3.27Å |
| 241 | D | 88.5 | Confident | 89.8 | Confident | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 104.4 | 155.3 | -177.2 | -29.9 | 0 | 0 | 0 | 107.8 | K104 L105 S243 N244 R245 I246 | K104-D241 CarbonylContact O-C 3.51Å; K104-D241 WeakPolarHBondContact O-CA 3.43Å; L105-D241 HydrophobicContact CD2-CB 3.95Å; D241-S243 VanDerWaalsContact C-N 3.33Å; D241-S243 WeakPolarHBondContact OD1-CA 3.35Å; D241-S243 WeakPolarHBondContact OD1-CB 3.5Å; D241-S243 PolarHBondContact OD1-N 3.01Å; D241-N244 HydrophobicContact CB-CB 4.45Å; D241-N244 PolarHBondContact OD1-N 3.02Å; D241-N244 PolarHBondContact OD2-ND2 3.49Å; D241-R245 CarbonylContact O-C 3.51Å; D241-R245 VanDerWaalsContact O-CA 3.29Å; D241-R245 WeakPolarHBondContact O-CA 3.34Å; D241-R245 PolarHBondContact O-N 2.94Å; D241-I246 HydrophobicContact CB-CB 4.44Å; D241-I246 PolarHBondContact N-O 3.11Å; D241-I246 PolarHBondContact O-N 3.02Å |
| 242 | R | 86.2 | Confident | 89.5 | Confident | 95 Ų | 95 | 27.7 Ų | 27.7 | 36% | 0.358 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -30.8 | -178.7 | -170 | 179.7 | -176.5 | -170.6 | 6.1 | 112 | K104 L106 M240 | K104-R242 PolarHBondContact O-N 3Å; L106-R242 HydrophobicContact CD1-CB 4.12Å; M240-R242 PolarHBondContact O-N 2.82Å |
| 243 | S | 85.1 | Confident | 89.3 | Confident | 76 Ų | 76 | 26.5 Ų | 26.5 | 53% | 0.531 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -40.6 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | K104 D241 | K104-S243 WeakPolarHBondContact CG-OG 3.42Å; D241-S243 VanDerWaalsContact C-N 3.33Å; D241-S243 WeakPolarHBondContact OD1-CA 3.35Å; D241-S243 WeakPolarHBondContact OD1-CB 3.5Å; D241-S243 PolarHBondContact OD1-N 3.01Å |
| 244 | N | 85.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 29.3 Ų | 29.3 | 50% | 0.503 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -4.6 | -178.8 | -66.4 | -56.6 | 0 | 0 | 0 | 113.4 | D241 I246 | D241-N244 HydrophobicContact CB-CB 4.45Å; D241-N244 PolarHBondContact OD1-N 3.02Å; D241-N244 PolarHBondContact OD2-ND2 3.49Å; N244-I246 HydrophobicContact CB-CD1 3.74Å; N244-I246 HydrophobicContact CB-CG1 3.81Å; N244-I246 PolarHBondContact O-N 2.89Å |
| 245 | R | 87.3 | Confident | 88.4 | Confident | 124 Ų | 124 | 31.3 Ų | 31.3 | 47% | 0.468 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 35.2 | -171.3 | -58.5 | 179.4 | 79.8 | -149.3 | 4.2 | 113.5 | D135 M240 D241 | D135-R245 IonicContact OD2-CZ 3.89Å; D135-R245 IonicContact OD2-NE 2.68Å; D135-R245 PolarHBondContact OD2-NE 3.43Å; D135-R245 IonicContact OD2-NH2 3.98Å; D135-R245 PolarHBondContact OD2-NH2 3.07Å; M240-R245 HydrophobicContact CE-CB 4.06Å; M240-R245 HydrophobicContact CE-CG 4.25Å; D241-R245 CarbonylContact O-C 3.51Å; D241-R245 VanDerWaalsContact O-CA 3.29Å; D241-R245 WeakPolarHBondContact O-CA 3.34Å; D241-R245 PolarHBondContact O-N 2.94Å |
| 246 | I | 84.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 10% | 0.097 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.9 | -179.1 | -58.2 | 175.4 | 0 | 0 | 0 | 109.8 | M240 D241 N244 L248 A300 | M240-I246 CarbonylContact C-O 3.48Å; M240-I246 WeakPolarHBondContact CA-O 3.27Å; D241-I246 HydrophobicContact CB-CB 4.44Å; D241-I246 PolarHBondContact N-O 3.11Å; D241-I246 PolarHBondContact O-N 3.02Å; N244-I246 HydrophobicContact CB-CD1 3.74Å; N244-I246 HydrophobicContact CB-CG1 3.81Å; N244-I246 PolarHBondContact O-N 2.89Å; I246-L248 HydrophobicContact CG2-CD2 4.05Å; I246-L248 PolarHBondContact O-N 2.89Å; I246-A300 HydrophobicContact CD1-CB 3.72Å |
| 247 | V | 85.7 | Confident | 85.2 | Confident | 31 Ų | 31 | 36 Ų | 36 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 110.4 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | L131 A238 F249 V250 | L131-V247 HydrophobicContact CD2-CG2 4.25Å; A238-V247 HydrophobicContact CB-CG1 4.4Å; V247-F249 WeakPolarHBondContact CG1-O 3.4Å; V247-V250 HydrophobicContact CG1-CB 4.35Å |
| 248 | L | 82.7 | Confident | 82.6 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -39.6 | 177.5 | -56.8 | -174.5 | 0 | 0 | 0 | 111.5 | L105 I239 I246 N301 | L105-L248 HydrophobicContact CD2-CD1 3.72Å; I239-L248 HydrophobicContact CB-CB 4.46Å; I239-L248 HydrophobicContact CG2-CB 4.34Å; I239-L248 HydrophobicContact CG2-CD1 4.1Å; I239-L248 PolarHBondContact O-N 3.28Å; I246-L248 HydrophobicContact CG2-CD2 4.05Å; I246-L248 PolarHBondContact O-N 2.89Å; L248-N301 HydrophobicContact CD2-CB 4.05Å; L248-N301 WeakPolarHBondContact CD2-OD1 3.44Å |
| 249 | F | 84 | Confident | 80 | Confident | 27 Ų | 27 | 46 Ų | 46 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 147.8 | 179.4 | -75.4 | -95.4 | 0 | 0 | 0 | 110.4 | I46 F48 A195 A238 I239 V247 | I46-F249 HydrophobicContact CB-CZ 4.24Å; I46-F249 HydrophobicContact CD1-CD2 4.4Å; I46-F249 HydrophobicContact CD1-CE1 3.93Å; I46-F249 HydrophobicContact CD1-CE2 3.52Å; I46-F249 HydrophobicContact CD1-CZ 3.28Å; I46-F249 HydrophobicContact CG1-CE1 4.27Å; I46-F249 HydrophobicContact CG1-CE2 4.05Å; I46-F249 HydrophobicContact CG1-CZ 3.49Å; I46-F249 VanDerWaalsContact CG1-CZ 3.49Å; I46-F249 HydrophobicContact CG2-CE1 3.77Å; I46-F249 HydrophobicContact CG2-CZ 3.86Å; F48-F249 HydrophobicContact CB-CE2 3.71Å; F48-F249 HydrophobicContact CB-CZ 3.8Å; F48-F249 HydrophobicContact CD2-CD2 4.35Å; F48-F249 AromaticContact CD2-CE2 3.83Å; F48-F249 HydrophobicContact CD2-CE2 3.83Å; F48-F249 HydrophobicContact CG-CE2 4.06Å; A195-F249 HydrophobicContact CB-CE1 4.27Å; A238-F249 CarbonylContact C-O 3.53Å; A238-F249 WeakPolarHBondContact CA-O 3.39Å; A238-F249 WeakPolarHBondContact CB-O 3.49Å; I239-F249 HydrophobicContact CB-CB 4.13Å; I239-F249 HydrophobicContact CB-CD2 4.31Å; I239-F249 HydrophobicContact CD1-CB 4.22Å; I239-F249 HydrophobicContact CD1-CD2 3.83Å; I239-F249 HydrophobicContact CD1-CE2 4.43Å; I239-F249 HydrophobicContact CD1-CG 4.21Å; I239-F249 HydrophobicContact CG1-CB 4.34Å; I239-F249 PolarHBondContact N-O 3.48Å; I239-F249 PolarHBondContact O-N 3.32Å; V247-F249 WeakPolarHBondContact CG1-O 3.4Å |
| 250 | V | 87.4 | Confident | 77.6 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.9 | 160.6 | 65.4 | 0 | 0 | 0 | 0 | 108.3 | L236 F237 A238 V247 M265 M271 | L236-V250 HydrophobicContact CD1-CG2 4.08Å; L236-V250 HydrophobicContact CD2-CG2 4.19Å; L236-V250 HydrophobicContact CG-CG2 4.13Å; F237-V250 CarbonylContact O-C 3.59Å; F237-V250 WeakPolarHBondContact O-CA 3.29Å; A238-V250 HydrophobicContact CB-CG2 4.46Å; V247-V250 HydrophobicContact CG1-CB 4.35Å; V250-M265 WeakPolarHBondContact O-CE 3.36Å; V250-M271 HydrophobicContact CB-CE 4.39Å; V250-M271 HydrophobicContact CG1-CE 4.1Å; V250-M271 HydrophobicContact CG2-CE 3.73Å |
| 251 | G | 87.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 177.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L236 F237 M265 | L236-G251 WeakPolarHBondContact CA-O 3.44Å; F237-G251 VanDerWaalsContact CE1-C 3.49Å; F237-G251 PolarHBondContact N-O 3.23Å; F237-G251 PolarHBondContact O-N 3Å; G251-M265 VanDerWaalsContact CA-SD 3.56Å |
| 252 | V | 91.1 | Very high | 72 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.024 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.5 | 177.9 | -72.4 | 0 | 0 | 0 | 0 | 110 | L118 M122 F235 L236 Y254 M265 | L118-V252 HydrophobicContact CD2-CB 4.15Å; L118-V252 HydrophobicContact CD2-CG1 4.05Å; M122-V252 HydrophobicContact SD-CG1 3.68Å; F235-V252 WeakPolarHBondContact O-CA 3.34Å; L236-V252 HydrophobicContact CB-CG1 4.41Å; V252-Y254 HydrophobicContact CB-CD2 4.25Å; V252-Y254 HydrophobicContact CB-CE2 3.99Å; V252-Y254 HydrophobicContact CG2-CD2 4.1Å; V252-Y254 HydrophobicContact CG2-CE2 3.87Å; V252-M265 HydrophobicContact CG2-CG 4.1Å |
| 253 | Y | 91.7 | Very high | 69.5 | Low | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 130.9 | 174.3 | -164.7 | -107.1 | 0 | 0 | 0 | 109.8 | F66 P147 F149 L151 P234 F235 E255 | F66-Y253 HydrophobicContact CD2-CE1 4.41Å; F66-Y253 HydrophobicContact CE1-CD1 4.43Å; F66-Y253 HydrophobicContact CE1-CE1 4.49Å; F66-Y253 AromaticContact CE2-CD1 3.75Å; F66-Y253 HydrophobicContact CE2-CD1 3.75Å; F66-Y253 AromaticContact CE2-CE1 3.9Å; F66-Y253 HydrophobicContact CE2-CE1 3.9Å; F66-Y253 AromaticContact CZ-CD1 3.6Å; F66-Y253 HydrophobicContact CZ-CD1 3.6Å; F66-Y253 AromaticContact CZ-CE1 3.94Å; F66-Y253 HydrophobicContact CZ-CE1 3.94Å; P147-Y253 HydrophobicContact CB-CE1 4.3Å; P147-Y253 HydrophobicContact CG-CD1 4.14Å; P147-Y253 HydrophobicContact CG-CE1 3.93Å; F149-Y253 HydrophobicContact CB-CD2 4.21Å; F149-Y253 HydrophobicContact CB-CE2 3.33Å; F149-Y253 WeakPolarHBondContact CB-OH 3.44Å; F149-Y253 AromaticContact CD1-CD2 3.94Å; F149-Y253 HydrophobicContact CD1-CD2 3.94Å; F149-Y253 AromaticContact CD1-CE2 3.82Å; F149-Y253 HydrophobicContact CD1-CE2 3.82Å; F149-Y253 HydrophobicContact CD1-CG 4.39Å; F149-Y253 HydrophobicContact CD2-CD2 4.08Å; F149-Y253 AromaticContact CD2-CE2 3.98Å; F149-Y253 HydrophobicContact CD2-CE2 3.98Å; F149-Y253 HydrophobicContact CE1-CD2 4.28Å; F149-Y253 HydrophobicContact CE2-CD2 4.37Å; F149-Y253 AromaticContact CG-CD2 3.83Å; F149-Y253 HydrophobicContact CG-CD2 3.83Å; F149-Y253 AromaticContact CG-CE2 3.46Å; F149-Y253 HydrophobicContact CG-CE2 3.46Å; F149-Y253 VanDerWaalsContact CG-CE2 3.46Å; F149-Y253 HydrophobicContact CZ-CD2 4.46Å; L151-Y253 HydrophobicContact CD1-CD2 4.35Å; L151-Y253 HydrophobicContact CD2-CD2 4.31Å; L151-Y253 HydrophobicContact CD2-CE2 4.31Å; P234-Y253 WeakPolarHBondContact CA-O 3.37Å; P234-Y253 WeakPolarHBondContact CB-O 3.49Å; F235-Y253 HydrophobicContact CD1-CD1 4.47Å; F235-Y253 AromaticContact CE1-CD1 3.59Å; F235-Y253 HydrophobicContact CE1-CD1 3.59Å; F235-Y253 AromaticContact CE1-CG 3.91Å; F235-Y253 HydrophobicContact CE1-CG 3.91Å; F235-Y253 HydrophobicContact CE2-CG 4.33Å; F235-Y253 AromaticContact CZ-CD1 3.79Å; F235-Y253 HydrophobicContact CZ-CD1 3.79Å; F235-Y253 AromaticContact CZ-CG 3.67Å; F235-Y253 HydrophobicContact CZ-CG 3.67Å; F235-Y253 PolarHBondContact N-O 3.07Å; F235-Y253 PolarHBondContact O-N 2.88Å; Y253-E255 HydrophobicContact CE1-CB 4.03Å; Y253-E255 VanDerWaalsContact OH-CD 3.29Å; Y253-E255 PolarHBondContact OH-OE2 3.14Å |
| 254 | Y | 88 | Confident | 67.1 | Low | 68 Ų | 68 | 66 Ų | 66 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -127.4 | -4.6 | 176.1 | -83.9 | -86.9 | 0 | 0 | 0 | 112.8 | F66 V68 L118 P234 V252 | F66-Y254 WeakPolarHBondContact CE1-O 3.14Å; V68-Y254 WeakPolarHBondContact CG1-O 3.18Å; L118-Y254 HydrophobicContact CD2-CD2 4.49Å; L118-Y254 HydrophobicContact CD2-CE1 4.34Å; L118-Y254 HydrophobicContact CD2-CE2 3.73Å; P234-Y254 HydrophobicContact CB-CD1 3.63Å; P234-Y254 HydrophobicContact CB-CE1 3.64Å; P234-Y254 HydrophobicContact CB-CG 4.14Å; P234-Y254 HydrophobicContact CG-CD1 3.43Å; P234-Y254 VanDerWaalsContact CG-CD1 3.43Å; P234-Y254 HydrophobicContact CG-CE1 3.73Å; P234-Y254 HydrophobicContact CG-CG 4.2Å; V252-Y254 HydrophobicContact CB-CD2 4.25Å; V252-Y254 HydrophobicContact CB-CE2 3.99Å; V252-Y254 HydrophobicContact CG2-CD2 4.1Å; V252-Y254 HydrophobicContact CG2-CE2 3.87Å | ||
| 255 | E | 85.2 | Confident | 64.7 | Low | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | trans | 55.9 | 149.4 | -156.3 | -171.9 | 55.5 | -96.5 | 0 | 0 | 112.9 | F66 V68 K74 V76 Y253 | F66-E255 HydrophobicContact CD1-CB 3.75Å; F66-E255 HydrophobicContact CE1-CB 3.89Å; F66-E255 HydrophobicContact CG-CB 4.44Å; V68-E255 HydrophobicContact CG2-CB 4.12Å; K74-E255 HydrophobicContact CB-CG 3.89Å; K74-E255 HydrophobicContact CG-CG 3.95Å; V76-E255 HydrophobicContact CG1-CG 4.12Å; V76-E255 WeakPolarHBondContact CG1-OE2 3.41Å; Y253-E255 HydrophobicContact CE1-CB 4.03Å; Y253-E255 VanDerWaalsContact OH-CD 3.29Å; Y253-E255 PolarHBondContact OH-OE2 3.14Å | ||
| 256 | K | 72.3 | Confident | 62.1 | Low | 81 Ų | 81 | 62.9 Ų | 62.9 | 35% | 0.352 | 35% | 0.346 | S | S | . | . | trans | -88.2 | 119.6 | 178.6 | -72.9 | -177.8 | -179.8 | -179.3 | 0 | 109.8 | L263 | K256-L263 HydrophobicContact CG-CD1 3.96Š| ||
| 257 | S | 49.9 | Very low | 59.6 | Low | 18 Ų | 18 | 63.8 Ų | 63.8 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | trans | -66.5 | 141.7 | 158.5 | -152.7 | 0 | 0 | 0 | 0 | 110 | E72 K74 S259 D260 | E72-S257 WeakPolarHBondContact OE1-CB 3.48Å; E72-S257 PolarHBondContact OE1-OG 3.49Å; K74-S257 PolarHBondContact NZ-OG 2.84Å; S257-S259 PolarHBondContact O-N 2.82Å; S257-D260 PolarHBondContact O-N 3.21Å | ||
| 258 | S | 39.4 | Very low | 57.5 | Low | 123 Ų | 123 | 64.3 Ų | 64.3 | 86% | 0.86 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -13.9 | -178.1 | -47.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 259 | S | 36.8 | Very low | 55.2 | Low | 94 Ų | 94 | 65.1 Ų | 65.1 | 66% | 0.657 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -19.3 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | S257 | S257-S259 PolarHBondContact O-N 2.82Š|
| 260 | D | 40.3 | Very low | 52.7 | Low | 107 Ų | 107 | 64.3 Ų | 64.3 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | trans | -121.7 | 67.6 | -167.3 | -87.1 | -56.5 | 0 | 0 | 0 | 112.8 | S257 K262 | S257-D260 PolarHBondContact O-N 3.21Å; D260-K262 PolarHBondContact O-N 2.85Å | ||
| 261 | A | 31.1 | Very low | 49.9 | Very low | 86 Ų | 86 | 64.4 Ų | 64.4 | 71% | 0.711 | 35% | 0.353 | S | S | * | . | trans | -65.4 | -7.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 262 | K | 30.2 | Very low | 47.6 | Very low | 191 Ų | 191 | 66.3 Ų | 66.3 | 83% | 0.83 | 36% | 0.364 | S | S | * | . | trans | -102.5 | 75.4 | 179.8 | -73.2 | -179.6 | 179.7 | 170.2 | 0 | 111.7 | D260 K264 | D260-K262 PolarHBondContact O-N 2.85Å; K262-K264 PolarHBondContact O-N 2.78Å | ||
| 263 | L | 34.5 | Very low | 45 | Very low | 35 Ų | 35 | 68.1 Ų | 68.1 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | trans | -56.5 | 111.9 | 171.5 | -130.3 | 150.7 | 0 | 0 | 0 | 109.7 | L151 Y153 K256 M265 | L151-L263 HydrophobicContact CD2-CD1 3.96Å; Y153-L263 WeakPolarHBondContact CE2-O 3.38Å; K256-L263 HydrophobicContact CG-CD1 3.96Å; L263-M265 VanDerWaalsContact C-N 3.29Å; L263-M265 PolarHBondContact O-N 3.05Å | ||
| 264 | K | 33.8 | Very low | 42.2 | Very low | 184 Ų | 184 | 72.6 Ų | 72.6 | 80% | 0.8 | 40% | 0.398 | S | S | * | . | trans | -73 | 83.4 | 171.5 | -83.2 | 179.9 | 175.1 | 171.2 | 0 | 109.2 | K262 S266 | K262-K264 PolarHBondContact O-N 2.78Å; K264-S266 PolarHBondContact O-N 2.99Å | ||
| 265 | M | 36.5 | Very low | 39.8 | Very low | 52 Ų | 52 | 74.2 Ų | 74.2 | 26% | 0.256 | 41% | 0.407 | S | S | . | . | trans | -73.5 | 71.9 | 163.5 | -144.3 | 178.4 | 89.9 | 0 | 0 | 109.4 | Y153 V250 G251 V252 L263 L267 | Y153-M265 HydrophobicContact CD2-CB 4.22Å; Y153-M265 HydrophobicContact CE1-CB 4.18Å; Y153-M265 HydrophobicContact CE2-CB 3.84Å; V250-M265 WeakPolarHBondContact O-CE 3.36Å; G251-M265 VanDerWaalsContact CA-SD 3.56Å; V252-M265 HydrophobicContact CG2-CG 4.1Å; L263-M265 VanDerWaalsContact C-N 3.29Å; L263-M265 PolarHBondContact O-N 3.05Å; M265-L267 PolarHBondContact O-N 2.58Å | ||
| 266 | S | 30.7 | Very low | 37.7 | Very low | 100 Ų | 100 | 75.4 Ų | 75.4 | 70% | 0.699 | 41% | 0.41 | S | S | * | . | trans | -89.2 | 39.6 | -178.8 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | K264 | K264-S266 PolarHBondContact O-N 2.99Š| ||
| 267 | L | 32.5 | Very low | 36 | Very low | 38 Ų | 38 | 72.9 Ų | 72.9 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -166.8 | 128.6 | 171.1 | -121.6 | 145 | 0 | 0 | 0 | 111.4 | M122 M265 M271 | M122-L267 HydrophobicContact CB-CD1 3.64Å; M122-L267 HydrophobicContact CG-CD1 3.81Å; M122-L267 HydrophobicContact SD-CB 4.32Å; M122-L267 HydrophobicContact SD-CD1 3.6Å; M265-L267 PolarHBondContact O-N 2.58Å; L267-M271 HydrophobicContact CD2-CE 3.88Å; L267-M271 HydrophobicContact CD2-CG 4.43Å; L267-M271 HydrophobicContact CD2-SD 4.36Å |
| 268 | D | 41.7 | Very low | 35.3 | Very low | 42 Ų | 42 | 76 Ų | 76 | 23% | 0.225 | 42% | 0.424 | C | S | . | . | cis | -146.6 | 137.1 | -46.4 | -153.1 | -26.3 | 0 | 0 | 0 | 108.2 | F164 S270 M271 | F164-D268 VanDerWaalsContact CZ-OD1 3.23Å; F164-D268 WeakPolarHBondContact CZ-OD1 3.47Å; F164-D268 WeakPolarHBondContact CZ-OD2 3.4Å; D268-S270 VanDerWaalsContact CB-OG 3.29Å; D268-S270 WeakPolarHBondContact CB-OG 3.42Å; D268-S270 VanDerWaalsContact CG-N 3.3Å; D268-S270 PolarHBondContact O-N 3.11Å; D268-S270 WeakPolarHBondContact OD1-CB 3.48Å; D268-S270 PolarHBondContact OD1-N 3.02Å; D268-S270 WeakPolarHBondContact OD2-CB 3.42Å; D268-S270 PolarHBondContact OD2-OG 2.94Å; D268-M271 PolarHBondContact O-N 2.83Å | ||
| 269 | I | 35.4 | Very low | 35.3 | Very low | 47 Ų | 47 | 73 Ų | 73 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -22.6 | 162 | -76.4 | 178.9 | 0 | 0 | 0 | 109.2 | L155 L157 M271 V272 I273 | L155-I269 HydrophobicContact CD2-CD1 3.51Å; L155-I269 HydrophobicContact CD2-CG1 4.47Å; L157-I269 HydrophobicContact CD1-CD1 3.45Å; L157-I269 VanDerWaalsContact CD1-CD1 3.45Å; I269-M271 VanDerWaalsContact C-N 3.3Å; I269-M271 PolarHBondContact O-N 3.4Å; I269-V272 PolarHBondContact O-N 2.9Å; I269-I273 HydrophobicContact CG2-CB 4.5Å; I269-I273 HydrophobicContact CG2-CD1 3.39Å; I269-I273 HydrophobicContact CG2-CG1 3.68Å; I269-I273 VanDerWaalsContact O-CB 3.28Å; I269-I273 WeakPolarHBondContact O-CB 3.43Å; I269-I273 WeakPolarHBondContact O-CG1 3.23Å; I269-I273 PolarHBondContact O-N 2.9Å |
| 270 | S | 31.2 | Very low | 35.5 | Very low | 10 Ų | 10 | 71.1 Ų | 71.1 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61 | -22.6 | 167.5 | 94.8 | 0 | 0 | 0 | 0 | 115 | D268 L274 | D268-S270 VanDerWaalsContact CB-OG 3.29Å; D268-S270 WeakPolarHBondContact CB-OG 3.42Å; D268-S270 VanDerWaalsContact CG-N 3.3Å; D268-S270 PolarHBondContact O-N 3.11Å; D268-S270 WeakPolarHBondContact OD1-CB 3.48Å; D268-S270 PolarHBondContact OD1-N 3.02Å; D268-S270 WeakPolarHBondContact OD2-CB 3.42Å; D268-S270 PolarHBondContact OD2-OG 2.94Å; S270-L274 VanDerWaalsContact O-CA 3.3Å; S270-L274 WeakPolarHBondContact O-CA 3.49Å; S270-L274 WeakPolarHBondContact O-CB 3.37Å; S270-L274 WeakPolarHBondContact O-CD1 3.48Å; S270-L274 WeakPolarHBondContact O-CG 3.38Å; S270-L274 PolarHBondContact O-N 3.31Å; S270-L274 WeakPolarHBondContact OG-CD1 3.41Å |
| 271 | M | 29.6 | Very low | 35.3 | Very low | 20 Ų | 20 | 72.8 Ų | 72.8 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -73.1 | -36.8 | 176.1 | -77.5 | -151.9 | -70.8 | 0 | 0 | 112.2 | L130 V250 L267 D268 I269 H275 | L130-M271 HydrophobicContact CD2-CE 3.76Å; L130-M271 HydrophobicContact CD2-SD 4.02Å; V250-M271 HydrophobicContact CB-CE 4.39Å; V250-M271 HydrophobicContact CG1-CE 4.1Å; V250-M271 HydrophobicContact CG2-CE 3.73Å; L267-M271 HydrophobicContact CD2-CE 3.88Å; L267-M271 HydrophobicContact CD2-CG 4.43Å; L267-M271 HydrophobicContact CD2-SD 4.36Å; D268-M271 PolarHBondContact O-N 2.83Å; I269-M271 VanDerWaalsContact C-N 3.3Å; I269-M271 PolarHBondContact O-N 3.4Å; M271-H275 PolarHBondContact O-N 2.95Å |
| 272 | V | 39 | Very low | 35.5 | Very low | 40 Ų | 40 | 74.3 Ų | 74.3 | 24% | 0.242 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.5 | -48.6 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | I269 L274 H275 Y276 | I269-V272 PolarHBondContact O-N 2.9Å; V272-L274 PolarHBondContact O-N 3.46Å; V272-H275 PolarHBondContact O-N 2.95Å; V272-Y276 HydrophobicContact CG1-CD2 4.23Å; V272-Y276 HydrophobicContact CG1-CE2 4.36Å; V272-Y276 VanDerWaalsContact O-CD2 3.25Å; V272-Y276 WeakPolarHBondContact O-CD2 3.21Å; V272-Y276 PolarHBondContact O-N 3.31Å |
| 273 | I | 36.1 | Very low | 35.7 | Very low | 42 Ų | 42 | 67.3 Ų | 67.3 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | -178.9 | -70.4 | -169.9 | 0 | 0 | 0 | 112.3 | L161 I269 Y276 A277 | L161-I273 HydrophobicContact CD2-CD1 3.7Å; I269-I273 HydrophobicContact CG2-CB 4.5Å; I269-I273 HydrophobicContact CG2-CD1 3.39Å; I269-I273 HydrophobicContact CG2-CG1 3.68Å; I269-I273 VanDerWaalsContact O-CB 3.28Å; I269-I273 WeakPolarHBondContact O-CB 3.43Å; I269-I273 WeakPolarHBondContact O-CG1 3.23Å; I269-I273 PolarHBondContact O-N 2.9Å; I273-Y276 CarbonylContact O-C 3.49Å; I273-Y276 PolarHBondContact O-N 2.61Å; I273-A277 WeakPolarHBondContact O-CA 3.41Å; I273-A277 WeakPolarHBondContact O-CB 3.43Å; I273-A277 PolarHBondContact O-N 2.84Å |
| 274 | L | 31.3 | Very low | 35.7 | Very low | 102 Ų | 102 | 73.7 Ų | 73.7 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.5 | -36.2 | 179.5 | -69.6 | 167 | 0 | 0 | 0 | 112.6 | S270 V272 Y276 A277 P278 | S270-L274 VanDerWaalsContact O-CA 3.3Å; S270-L274 WeakPolarHBondContact O-CA 3.49Å; S270-L274 WeakPolarHBondContact O-CB 3.37Å; S270-L274 WeakPolarHBondContact O-CD1 3.48Å; S270-L274 WeakPolarHBondContact O-CG 3.38Å; S270-L274 PolarHBondContact O-N 3.31Å; S270-L274 WeakPolarHBondContact OG-CD1 3.41Å; V272-L274 PolarHBondContact O-N 3.46Å; L274-Y276 PolarHBondContact O-N 2.85Å; L274-A277 HydrophobicContact CD2-CB 4.28Å; L274-A277 PolarHBondContact O-N 2.94Å; L274-A277 VanDerWaalsContact O-N 3.08Å; L274-P278 VanDerWaalsContact O-CD 3.31Å; L274-P278 WeakPolarHBondContact O-CD 3.38Å |
| 275 | H | 38.5 | Very low | 35.9 | Very low | 101 Ų | 101 | 71.6 Ų | 71.6 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 171.4 | -173.6 | 82.3 | 0 | 0 | 0 | 110.5 | M271 V272 | M271-H275 PolarHBondContact O-N 2.95Å; V272-H275 PolarHBondContact O-N 2.95Å |
| 276 | Y | 41.1 | Very low | 35.9 | Very low | 71 Ų | 71 | 75.1 Ų | 75.1 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 1.8 | 173.5 | -64.2 | -68.5 | 0 | 0 | 0 | 114.3 | V272 I273 L274 T279 I280 | V272-Y276 HydrophobicContact CG1-CD2 4.23Å; V272-Y276 HydrophobicContact CG1-CE2 4.36Å; V272-Y276 VanDerWaalsContact O-CD2 3.25Å; V272-Y276 WeakPolarHBondContact O-CD2 3.21Å; V272-Y276 PolarHBondContact O-N 3.31Å; I273-Y276 CarbonylContact O-C 3.49Å; I273-Y276 PolarHBondContact O-N 2.61Å; L274-Y276 PolarHBondContact O-N 2.85Å; Y276-T279 CarbonylContact O-C 3.57Å; Y276-T279 WeakPolarHBondContact O-CB 3.34Å; Y276-T279 PolarHBondContact O-N 3.27Å; Y276-I280 VanDerWaalsContact O-CB 3.28Å; Y276-I280 WeakPolarHBondContact O-CB 3.34Å; Y276-I280 WeakPolarHBondContact O-CG1 3.23Å; Y276-I280 PolarHBondContact O-N 3.29Å |
| 277 | A | 36.5 | Very low | 35.9 | Very low | 28 Ų | 28 | 71.6 Ų | 71.6 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73.7 | -41 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I273 L274 T279 I280 K281 | I273-A277 WeakPolarHBondContact O-CA 3.41Å; I273-A277 WeakPolarHBondContact O-CB 3.43Å; I273-A277 PolarHBondContact O-N 2.84Å; L274-A277 HydrophobicContact CD2-CB 4.28Å; L274-A277 PolarHBondContact O-N 2.94Å; L274-A277 VanDerWaalsContact O-N 3.08Å; A277-T279 VanDerWaalsContact C-N 3.25Å; A277-T279 PolarHBondContact O-N 2.8Å; A277-I280 PolarHBondContact O-N 3.12Å; A277-K281 WeakPolarHBondContact O-CB 3.45Å; A277-K281 PolarHBondContact O-N 2.72Å |
| 278 | P | 34.6 | Very low | 36.1 | Very low | 83 Ų | 83 | 72.3 Ų | 72.3 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 170.2 | -22.7 | 34.2 | 0 | 0 | 0 | 110.6 | L274 K281 Q282 | L274-P278 VanDerWaalsContact O-CD 3.31Å; L274-P278 WeakPolarHBondContact O-CD 3.38Å; P278-K281 PolarHBondContact O-N 2.85Å; P278-Q282 WeakPolarHBondContact O-CB 3.49Å; P278-Q282 WeakPolarHBondContact O-CG 3.3Å; P278-Q282 PolarHBondContact O-N 2.83Å |
| 279 | T | 40.7 | Very low | 36 | Very low | 61 Ų | 61 | 71.7 Ų | 71.7 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | -179.6 | -28.1 | 0 | 0 | 0 | 0 | 111.7 | Y276 A277 L283 | Y276-T279 CarbonylContact O-C 3.57Å; Y276-T279 WeakPolarHBondContact O-CB 3.34Å; Y276-T279 PolarHBondContact O-N 3.27Å; A277-T279 VanDerWaalsContact C-N 3.25Å; A277-T279 PolarHBondContact O-N 2.8Å; T279-L283 HydrophobicContact CG2-CD1 3.84Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 WeakPolarHBondContact O-CD1 3.42Å; T279-L283 WeakPolarHBondContact O-CG 3.38Å; T279-L283 PolarHBondContact O-N 3.03Å |
| 280 | I | 40.1 | Very low | 36.2 | Very low | 53 Ų | 53 | 73 Ų | 73 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 177.2 | -71.2 | 163.8 | 0 | 0 | 0 | 110.1 | Y276 A277 L283 W284 L293 | Y276-I280 VanDerWaalsContact O-CB 3.28Å; Y276-I280 WeakPolarHBondContact O-CB 3.34Å; Y276-I280 WeakPolarHBondContact O-CG1 3.23Å; Y276-I280 PolarHBondContact O-N 3.29Å; A277-I280 PolarHBondContact O-N 3.12Å; I280-L283 PolarHBondContact O-N 2.91Å; I280-W284 WeakPolarHBondContact O-CB 3.35Å; I280-W284 PolarHBondContact O-N 3.22Å; I280-L293 HydrophobicContact CG1-CD1 4.26Å; I280-L293 HydrophobicContact CG1-CD2 4.12Å |
| 281 | K | 37 | Very low | 36.4 | Very low | 143 Ų | 143 | 79.8 Ų | 79.8 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.4 | -43.8 | 179.1 | -168.2 | 175.6 | -175.8 | -179.7 | 0 | 111.6 | A277 P278 Q285 | A277-K281 WeakPolarHBondContact O-CB 3.45Å; A277-K281 PolarHBondContact O-N 2.72Å; P278-K281 PolarHBondContact O-N 2.85Å; K281-Q285 WeakPolarHBondContact O-CG 3.45Å; K281-Q285 PolarHBondContact O-N 2.62Å |
| 282 | Q | 35.3 | Very low | 36.6 | Very low | 118 Ų | 118 | 83.9 Ų | 83.9 | 55% | 0.551 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | 171.2 | -76.8 | -179.3 | -19.1 | 0 | 0 | 111.1 | P278 W284 Q285 I286 | P278-Q282 WeakPolarHBondContact O-CB 3.49Å; P278-Q282 WeakPolarHBondContact O-CG 3.3Å; P278-Q282 PolarHBondContact O-N 2.83Å; Q282-W284 VanDerWaalsContact C-N 3.29Å; Q282-W284 PolarHBondContact O-N 2.83Å; Q282-Q285 CarbonylContact O-C 3.57Å; Q282-Q285 WeakPolarHBondContact O-CA 3.5Å; Q282-Q285 WeakPolarHBondContact O-CB 3.48Å; Q282-Q285 PolarHBondContact O-N 2.97Å; Q282-Q285 VanDerWaalsContact O-N 3.08Å; Q282-I286 HydrophobicContact CB-CD1 4.25Å; Q282-I286 WeakPolarHBondContact O-CD1 3.09Å; Q282-I286 WeakPolarHBondContact O-CG1 3.37Å; Q282-I286 PolarHBondContact O-N 3.42Å |
| 283 | L | 34.7 | Very low | 36.5 | Very low | 44 Ų | 44 | 83.7 Ų | 83.7 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -30.7 | -178.8 | -71.4 | 169 | 0 | 0 | 0 | 112.8 | T279 I280 G287 V288 L293 | T279-L283 HydrophobicContact CG2-CD1 3.84Å; T279-L283 WeakPolarHBondContact O-CB 3.49Å; T279-L283 WeakPolarHBondContact O-CD1 3.42Å; T279-L283 WeakPolarHBondContact O-CG 3.38Å; T279-L283 PolarHBondContact O-N 3.03Å; I280-L283 PolarHBondContact O-N 2.91Å; L283-G287 PolarHBondContact O-N 3.36Å; L283-V288 HydrophobicContact CB-CB 4.12Å; L283-V288 HydrophobicContact CD2-CB 3.91Å; L283-V288 HydrophobicContact CD2-CG1 4.29Å; L283-V288 HydrophobicContact CD2-CG2 3.61Å; L283-V288 PolarHBondContact O-N 2.78Å; L283-L293 HydrophobicContact CB-CD1 4Å; L283-L293 HydrophobicContact CD1-CD1 4.2Å; L283-L293 HydrophobicContact CD1-CD2 3.62Å; L283-L293 HydrophobicContact CD1-CG 3.95Å |
| 284 | W | 34.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 84.5 Ų | 84.5 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.5 | -41.9 | 171 | -168.2 | 83.2 | 0 | 0 | 0 | 111.5 | I280 Q282 G287 | I280-W284 WeakPolarHBondContact O-CB 3.35Å; I280-W284 PolarHBondContact O-N 3.22Å; Q282-W284 VanDerWaalsContact C-N 3.29Å; Q282-W284 PolarHBondContact O-N 2.83Å; W284-G287 PolarHBondContact O-N 2.95Å |
| 285 | Q | 37.2 | Very low | 36.5 | Very low | 140 Ų | 140 | 82.8 Ų | 82.8 | 65% | 0.654 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.8 | -37.1 | 173.2 | -74.3 | 177.6 | -35.6 | 0 | 0 | 113 | K281 Q282 G287 | K281-Q285 WeakPolarHBondContact O-CG 3.45Å; K281-Q285 PolarHBondContact O-N 2.62Å; Q282-Q285 CarbonylContact O-C 3.57Å; Q282-Q285 WeakPolarHBondContact O-CA 3.5Å; Q282-Q285 WeakPolarHBondContact O-CB 3.48Å; Q282-Q285 PolarHBondContact O-N 2.97Å; Q282-Q285 VanDerWaalsContact O-N 3.08Å; Q285-G287 PolarHBondContact O-N 3.22Å |
| 286 | I | 36.4 | Very low | 36.2 | Very low | 125 Ų | 125 | 87.3 Ų | 87.3 | 64% | 0.641 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.9 | 176.5 | -53 | 154.6 | 0 | 0 | 0 | 110.9 | Q282 V288 | Q282-I286 HydrophobicContact CB-CD1 4.25Å; Q282-I286 WeakPolarHBondContact O-CD1 3.09Å; Q282-I286 WeakPolarHBondContact O-CG1 3.37Å; Q282-I286 PolarHBondContact O-N 3.42Å; I286-V288 VanDerWaalsContact C-N 3.34Å; I286-V288 PolarHBondContact O-N 3.47Å |
| 287 | G | 31.3 | Very low | 35.8 | Very low | 26 Ų | 26 | 86.7 Ų | 86.7 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K179 L283 W284 Q285 S289 | K179-G287 PolarHBondContact NZ-O 3.33Å; L283-G287 PolarHBondContact O-N 3.36Å; W284-G287 PolarHBondContact O-N 2.95Å; Q285-G287 PolarHBondContact O-N 3.22Å; G287-S289 PolarHBondContact O-N 3.44Å |
| 288 | V | 35.2 | Very low | 35.6 | Very low | 53 Ų | 53 | 87 Ų | 87 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | trans | -65.2 | 127 | 168.1 | 175.3 | 0 | 0 | 0 | 0 | 108 | L283 I286 H292 | L283-V288 HydrophobicContact CB-CB 4.12Å; L283-V288 HydrophobicContact CD2-CB 3.91Å; L283-V288 HydrophobicContact CD2-CG1 4.29Å; L283-V288 HydrophobicContact CD2-CG2 3.61Å; L283-V288 PolarHBondContact O-N 2.78Å; I286-V288 VanDerWaalsContact C-N 3.34Å; I286-V288 PolarHBondContact O-N 3.47Å; V288-H292 HydrophobicContact CG1-CB 3.88Å | ||
| 289 | S | 40.3 | Very low | 35.4 | Very low | 29 Ų | 29 | 90 Ų | 90 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | trans | -64.4 | 142.9 | -176.3 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | G287 Y291 H292 L293 | G287-S289 PolarHBondContact O-N 3.44Å; S289-Y291 PolarHBondContact O-N 2.88Å; S289-H292 PolarHBondContact O-N 3.3Å; S289-H292 PolarHBondContact OG-ND1 2.53Å; S289-L293 PolarHBondContact O-N 2.84Å | ||
| 290 | L | 39.4 | Very low | 35 | Very low | 76 Ų | 76 | 89 Ų | 89 | 40% | 0.398 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -47.5 | -31.4 | 168.5 | -96.4 | 154.5 | 0 | 0 | 0 | 111.8 | F177 L293 F294 | F177-L290 HydrophobicContact CE1-CD1 3.89Å; L290-L293 PolarHBondContact O-N 2.96Å; L290-F294 HydrophobicContact CD2-CD2 3.99Å; L290-F294 HydrophobicContact CD2-CE2 3.63Å; L290-F294 VanDerWaalsContact O-CB 3.3Å; L290-F294 WeakPolarHBondContact O-CB 3.32Å; L290-F294 WeakPolarHBondContact O-CD2 3.29Å; L290-F294 PolarHBondContact O-N 2.89Å |
| 291 | Y | 36.7 | Very low | 34.7 | Very low | 151 Ų | 151 | 87.5 Ų | 87.5 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -55.3 | -48.5 | 172.1 | -175.4 | -96.3 | 0 | 0 | 0 | 113.8 | S289 F294 Q295 | S289-Y291 PolarHBondContact O-N 2.88Å; Y291-F294 CarbonylContact O-C 3.54Å; Y291-F294 PolarHBondContact O-N 2.76Å; Y291-Q295 HydrophobicContact CD1-CG 4.08Å; Y291-Q295 HydrophobicContact CE1-CG 3.81Å; Y291-Q295 VanDerWaalsContact O-CG 3.28Å; Y291-Q295 WeakPolarHBondContact O-CG 3.36Å; Y291-Q295 PolarHBondContact O-N 2.63Å; Y291-Q295 PolarHBondContact OH-NE2 2.75Å |
| 292 | H | 32.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 86.8 Ų | 86.8 | 50% | 0.495 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.4 | -38.4 | -179.4 | -75.2 | 87.2 | 0 | 0 | 0 | 112.6 | V288 S289 F294 Q295 Y296 | V288-H292 HydrophobicContact CG1-CB 3.88Å; S289-H292 PolarHBondContact O-N 3.3Å; S289-H292 PolarHBondContact OG-ND1 2.53Å; H292-F294 VanDerWaalsContact C-N 3.3Å; H292-F294 PolarHBondContact O-N 2.9Å; H292-Q295 PolarHBondContact O-N 3.37Å; H292-Y296 PolarHBondContact O-N 2.79Å; H292-Y296 VanDerWaalsContact O-N 3.1Å |
| 293 | L | 36.9 | Very low | 34.2 | Very low | 36 Ų | 36 | 82.6 Ų | 82.6 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 170.6 | -95 | 164.2 | 0 | 0 | 0 | 111.6 | I280 L283 S289 L290 W297 | I280-L293 HydrophobicContact CG1-CD1 4.26Å; I280-L293 HydrophobicContact CG1-CD2 4.12Å; L283-L293 HydrophobicContact CB-CD1 4Å; L283-L293 HydrophobicContact CD1-CD1 4.2Å; L283-L293 HydrophobicContact CD1-CD2 3.62Å; L283-L293 HydrophobicContact CD1-CG 3.95Å; S289-L293 PolarHBondContact O-N 2.84Å; L290-L293 PolarHBondContact O-N 2.96Å; L293-W297 PolarHBondContact O-N 2.88Å |
| 294 | F | 37 | Very low | 33.9 | Very low | 59 Ų | 59 | 87.8 Ų | 87.8 | 26% | 0.259 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 174.1 | -89 | -120.6 | 0 | 0 | 0 | 111.6 | L290 Y291 H292 Y296 W297 L298 W305 | L290-F294 HydrophobicContact CD2-CD2 3.99Å; L290-F294 HydrophobicContact CD2-CE2 3.63Å; L290-F294 VanDerWaalsContact O-CB 3.3Å; L290-F294 WeakPolarHBondContact O-CB 3.32Å; L290-F294 WeakPolarHBondContact O-CD2 3.29Å; L290-F294 PolarHBondContact O-N 2.89Å; Y291-F294 CarbonylContact O-C 3.54Å; Y291-F294 PolarHBondContact O-N 2.76Å; H292-F294 VanDerWaalsContact C-N 3.3Å; H292-F294 PolarHBondContact O-N 2.9Å; F294-Y296 PolarHBondContact O-N 3.09Å; F294-W297 CarbonylContact O-C 3.56Å; F294-W297 PolarHBondContact O-N 3.39Å; F294-L298 HydrophobicContact CB-CD1 4.19Å; F294-L298 VanDerWaalsContact O-CB 3.28Å; F294-L298 WeakPolarHBondContact O-CB 3.37Å; F294-L298 WeakPolarHBondContact O-CD1 3.21Å; F294-L298 WeakPolarHBondContact O-CG 3.34Å; F294-L298 PolarHBondContact O-N 2.88Å; F294-W305 HydrophobicContact CD1-CB 4.08Å; F294-W305 AromaticContact CD1-CD1 3.88Å; F294-W305 HydrophobicContact CD1-CD2 4.25Å; F294-W305 AromaticContact CD1-CG 3.85Å; F294-W305 HydrophobicContact CD1-CG 3.85Å; F294-W305 HydrophobicContact CE1-CB 4.11Å; F294-W305 AromaticContact CE1-CD1 3.83Å; F294-W305 AromaticContact CE1-CD2 3.5Å; F294-W305 HydrophobicContact CE1-CD2 3.5Å; F294-W305 AromaticContact CE1-CE2 3.66Å; F294-W305 AromaticContact CE1-CE3 3.91Å; F294-W305 HydrophobicContact CE1-CE3 3.91Å; F294-W305 AromaticContact CE1-CG 3.6Å; F294-W305 HydrophobicContact CE1-CG 3.6Å; F294-W305 HydrophobicContact CE1-CZ2 4.19Å; F294-W305 HydrophobicContact CE1-CZ3 4.38Å; F294-W305 AromaticContact CE1-NE1 3.86Å; F294-W305 HydrophobicContact CZ-CD2 4.43Å; F294-W305 HydrophobicContact CZ-CZ2 4.43Å |
| 295 | Q | 31.8 | Very low | 33.7 | Very low | 65 Ų | 65 | 82.1 Ų | 82.1 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 180 | -73.7 | -64.3 | -13.4 | 0 | 0 | 112.7 | Y291 H292 W297 L298 L299 | Y291-Q295 HydrophobicContact CD1-CG 4.08Å; Y291-Q295 HydrophobicContact CE1-CG 3.81Å; Y291-Q295 VanDerWaalsContact O-CG 3.28Å; Y291-Q295 WeakPolarHBondContact O-CG 3.36Å; Y291-Q295 PolarHBondContact O-N 2.63Å; Y291-Q295 PolarHBondContact OH-NE2 2.75Å; H292-Q295 PolarHBondContact O-N 3.37Å; Q295-W297 VanDerWaalsContact C-N 3.3Å; Q295-W297 PolarHBondContact O-N 2.69Å; Q295-L298 PolarHBondContact O-N 2.9Å; Q295-L299 WeakPolarHBondContact O-CB 3.14Å; Q295-L299 WeakPolarHBondContact O-CG 3.22Å; Q295-L299 PolarHBondContact O-N 2.84Å |
| 296 | Y | 30.8 | Very low | 33.5 | Very low | 197 Ų | 197 | 78.5 Ų | 78.5 | 77% | 0.773 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.8 | -37.1 | 173.1 | -96.3 | -87 | 0 | 0 | 0 | 112.8 | H292 F294 | H292-Y296 PolarHBondContact O-N 2.79Å; H292-Y296 VanDerWaalsContact O-N 3.1Å; F294-Y296 PolarHBondContact O-N 3.09Å |
| 297 | W | 32.9 | Very low | 33.3 | Very low | 57 Ų | 57 | 76.5 Ų | 76.5 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -79.1 | -27.2 | 178.3 | -169.9 | 94.6 | 0 | 0 | 0 | 113.5 | L293 F294 Q295 N301 L303 W305 | L293-W297 PolarHBondContact O-N 2.88Å; F294-W297 CarbonylContact O-C 3.56Å; F294-W297 PolarHBondContact O-N 3.39Å; Q295-W297 VanDerWaalsContact C-N 3.3Å; Q295-W297 PolarHBondContact O-N 2.69Å; W297-N301 PolarHBondContact O-ND2 3.46Å; W297-L303 HydrophobicContact CE3-CB 4.45Å; W297-L303 HydrophobicContact CE3-CD1 4.4Å; W297-L303 HydrophobicContact CH2-CB 4.19Å; W297-L303 HydrophobicContact CH2-CD1 3.21Å; W297-L303 HydrophobicContact CH2-CG 4.3Å; W297-L303 HydrophobicContact CZ2-CD1 3.87Å; W297-L303 HydrophobicContact CZ3-CB 3.61Å; W297-L303 HydrophobicContact CZ3-CD1 3.47Å; W297-L303 VanDerWaalsContact CZ3-CD1 3.47Å; W297-L303 HydrophobicContact CZ3-CG 4.15Å; W297-W305 AromaticContact CE3-NE1 3.62Å; W297-W305 AromaticContact CH2-NE1 3.4Å; W297-W305 AromaticContact CZ3-CD1 3.49Å; W297-W305 VanDerWaalsContact CZ3-CD1 3.49Å; W297-W305 AromaticContact CZ3-NE1 2.91Å |
| 298 | L | 32.3 | Very low | 33.6 | Very low | 34 Ų | 34 | 77.8 Ų | 77.8 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -73.8 | -45.7 | 176.1 | -73.1 | 164.1 | 0 | 0 | 0 | 110.6 | F294 Q295 A300 N301 D302 L303 W305 | F294-L298 HydrophobicContact CB-CD1 4.19Å; F294-L298 VanDerWaalsContact O-CB 3.28Å; F294-L298 WeakPolarHBondContact O-CB 3.37Å; F294-L298 WeakPolarHBondContact O-CD1 3.21Å; F294-L298 WeakPolarHBondContact O-CG 3.34Å; F294-L298 PolarHBondContact O-N 2.88Å; Q295-L298 PolarHBondContact O-N 2.9Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 3.06Å; L298-N301 PolarHBondContact O-N 2.92Å; L298-D302 PolarHBondContact O-N 3.4Å; L298-L303 WeakPolarHBondContact CD2-O 3.31Å; L298-W305 HydrophobicContact CD2-CB 4.26Å; L298-W305 HydrophobicContact CD2-CG 4.46Å |
| 299 | L | 30.2 | Very low | 33.8 | Very low | 148 Ų | 148 | 80.3 Ų | 80.3 | 78% | 0.775 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.5 | -27.7 | -179.8 | -77.7 | 167.2 | 0 | 0 | 0 | 113.5 | Q295 | Q295-L299 WeakPolarHBondContact O-CB 3.14Å; Q295-L299 WeakPolarHBondContact O-CG 3.22Å; Q295-L299 PolarHBondContact O-N 2.84Å |
| 300 | A | 31.8 | Very low | 33.9 | Very low | 39 Ų | 39 | 84.3 Ų | 84.3 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -79.7 | -24.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I246 L298 | I246-A300 HydrophobicContact CD1-CB 3.72Å; L298-A300 VanDerWaalsContact C-N 3.25Å; L298-A300 PolarHBondContact O-N 3.06Å |
| 301 | N | 34.5 | Very low | 33.6 | Very low | 22 Ų | 22 | 84.8 Ų | 84.8 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -128.1 | -3 | -158.1 | -58.6 | -45.8 | 0 | 0 | 0 | 115.8 | L248 W297 L298 L303 | L248-N301 HydrophobicContact CD2-CB 4.05Å; L248-N301 WeakPolarHBondContact CD2-OD1 3.44Å; W297-N301 PolarHBondContact O-ND2 3.46Å; L298-N301 PolarHBondContact O-N 2.92Å; N301-L303 HydrophobicContact CB-CB 4.27Å; N301-L303 HydrophobicContact CB-CD1 3.63Å; N301-L303 HydrophobicContact CB-CG 3.63Å; N301-L303 PolarHBondContact O-N 3.03Å |
| 302 | D | 30.8 | Very low | 33.5 | Very low | 127 Ų | 127 | 81.3 Ų | 81.3 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | trans | 49.7 | 23.5 | -169.3 | -160.2 | 12.5 | 0 | 0 | 0 | 113.9 | L298 R304 | L298-D302 PolarHBondContact O-N 3.4Å; D302-R304 IonicContact OD1-NE 3.9Å; D302-R304 IonicContact OD1-NH2 2.79Å | ||
| 303 | L | 31.4 | Very low | 33.5 | Very low | 30 Ų | 30 | 79.8 Ų | 79.8 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | trans | -80.2 | 142.5 | 173.9 | -62.6 | 177.5 | 0 | 0 | 0 | 108.4 | I46 W297 L298 N301 | I46-L303 HydrophobicContact CD1-CD1 4.06Å; I46-L303 HydrophobicContact CD1-CD2 3.37Å; I46-L303 HydrophobicContact CD1-CG 4.38Å; I46-L303 HydrophobicContact CG1-CD2 3.65Å; W297-L303 HydrophobicContact CE3-CB 4.45Å; W297-L303 HydrophobicContact CE3-CD1 4.4Å; W297-L303 HydrophobicContact CH2-CB 4.19Å; W297-L303 HydrophobicContact CH2-CD1 3.21Å; W297-L303 HydrophobicContact CH2-CG 4.3Å; W297-L303 HydrophobicContact CZ2-CD1 3.87Å; W297-L303 HydrophobicContact CZ3-CB 3.61Å; W297-L303 HydrophobicContact CZ3-CD1 3.47Å; W297-L303 VanDerWaalsContact CZ3-CD1 3.47Å; W297-L303 HydrophobicContact CZ3-CG 4.15Å; L298-L303 WeakPolarHBondContact CD2-O 3.31Å; N301-L303 HydrophobicContact CB-CB 4.27Å; N301-L303 HydrophobicContact CB-CD1 3.63Å; N301-L303 HydrophobicContact CB-CG 3.63Å; N301-L303 PolarHBondContact O-N 3.03Å | ||
| 304 | R | 28.4 | Very low | 33.3 | Very low | 154 Ų | 154 | 82.4 Ų | 82.4 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | trans | -124.2 | 99.5 | -175.5 | -51.6 | -173 | -172.8 | -163 | 4.1 | 111 | D302 F306 | D302-R304 IonicContact OD1-NE 3.9Å; D302-R304 IonicContact OD1-NH2 2.79Å; R304-F306 HydrophobicContact CB-CD2 4.36Å; R304-F306 HydrophobicContact CB-CE2 3.39Å; R304-F306 HydrophobicContact CB-CZ 3.95Å; R304-F306 WeakPolarHBondContact O-CD2 3.47Å; R304-F306 WeakPolarHBondContact O-CE2 3.18Å | ||
| 305 | W | 30.5 | Very low | 33.1 | Very low | 50 Ų | 50 | 83.9 Ų | 83.9 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | trans | -85.1 | 143.1 | 169.7 | -71.8 | 91.5 | 0 | 0 | 0 | 110.9 | N44 L157 F294 W297 L298 | N44-W305 HydrophobicContact CB-CD2 4.36Å; N44-W305 HydrophobicContact CB-CE3 3.91Å; N44-W305 HydrophobicContact CB-CH2 3.62Å; N44-W305 HydrophobicContact CB-CZ2 4.06Å; N44-W305 HydrophobicContact CB-CZ3 3.54Å; N44-W305 WeakPolarHBondContact ND2-CH2 3.39Å; N44-W305 WeakPolarHBondContact ND2-CZ2 3.36Å; L157-W305 HydrophobicContact CD2-CH2 4.47Å; F294-W305 HydrophobicContact CD1-CB 4.08Å; F294-W305 AromaticContact CD1-CD1 3.88Å; F294-W305 HydrophobicContact CD1-CD2 4.25Å; F294-W305 AromaticContact CD1-CG 3.85Å; F294-W305 HydrophobicContact CD1-CG 3.85Å; F294-W305 HydrophobicContact CE1-CB 4.11Å; F294-W305 AromaticContact CE1-CD1 3.83Å; F294-W305 AromaticContact CE1-CD2 3.5Å; F294-W305 HydrophobicContact CE1-CD2 3.5Å; F294-W305 AromaticContact CE1-CE2 3.66Å; F294-W305 AromaticContact CE1-CE3 3.91Å; F294-W305 HydrophobicContact CE1-CE3 3.91Å; F294-W305 AromaticContact CE1-CG 3.6Å; F294-W305 HydrophobicContact CE1-CG 3.6Å; F294-W305 HydrophobicContact CE1-CZ2 4.19Å; F294-W305 HydrophobicContact CE1-CZ3 4.38Å; F294-W305 AromaticContact CE1-NE1 3.86Å; F294-W305 HydrophobicContact CZ-CD2 4.43Å; F294-W305 HydrophobicContact CZ-CZ2 4.43Å; W297-W305 AromaticContact CE3-NE1 3.62Å; W297-W305 AromaticContact CH2-NE1 3.4Å; W297-W305 AromaticContact CZ3-CD1 3.49Å; W297-W305 VanDerWaalsContact CZ3-CD1 3.49Å; W297-W305 AromaticContact CZ3-NE1 2.91Å; L298-W305 HydrophobicContact CD2-CB 4.26Å; L298-W305 HydrophobicContact CD2-CG 4.46Å | ||
| 306 | F | 31.9 | Very low | 33.2 | Very low | 63 Ų | 63 | 85.1 Ų | 85.1 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.7 | 177.5 | -67.8 | -94.2 | 0 | 0 | 0 | 110.5 | W16 I43 R304 | W16-F306 HydrophobicContact CH2-CB 4.26Å; W16-F306 HydrophobicContact CH2-CD1 4.15Å; W16-F306 AromaticContact CH2-CD2 3.02Å; W16-F306 HydrophobicContact CH2-CD2 3.02Å; W16-F306 HydrophobicContact CH2-CE1 4.32Å; W16-F306 AromaticContact CH2-CE2 3.2Å; W16-F306 HydrophobicContact CH2-CE2 3.2Å; W16-F306 AromaticContact CH2-CG 3.53Å; W16-F306 HydrophobicContact CH2-CG 3.53Å; W16-F306 AromaticContact CH2-CZ 3.9Å; W16-F306 HydrophobicContact CH2-CZ 3.9Å; W16-F306 HydrophobicContact CZ2-CB 4.47Å; W16-F306 AromaticContact CZ2-CD1 3.65Å; W16-F306 HydrophobicContact CZ2-CD1 3.65Å; W16-F306 AromaticContact CZ2-CD2 3.39Å; W16-F306 HydrophobicContact CZ2-CD2 3.39Å; W16-F306 AromaticContact CZ2-CE1 3.64Å; W16-F306 HydrophobicContact CZ2-CE1 3.64Å; W16-F306 AromaticContact CZ2-CE2 3.32Å; W16-F306 HydrophobicContact CZ2-CE2 3.32Å; W16-F306 AromaticContact CZ2-CG 3.54Å; W16-F306 HydrophobicContact CZ2-CG 3.54Å; W16-F306 AromaticContact CZ2-CZ 3.48Å; W16-F306 HydrophobicContact CZ2-CZ 3.48Å; W16-F306 VanDerWaalsContact CZ2-CZ 3.48Å; W16-F306 AromaticContact CZ3-CD2 3.98Å; W16-F306 HydrophobicContact CZ3-CD2 3.98Å; W16-F306 HydrophobicContact CZ3-CE2 4.45Å; W16-F306 HydrophobicContact CZ3-CG 4.35Å; I43-F306 HydrophobicContact CD1-CB 4.49Å; I43-F306 WeakPolarHBondContact CG1-O 3.38Å; R304-F306 HydrophobicContact CB-CD2 4.36Å; R304-F306 HydrophobicContact CB-CE2 3.39Å; R304-F306 HydrophobicContact CB-CZ 3.95Å; R304-F306 WeakPolarHBondContact O-CD2 3.47Å; R304-F306 WeakPolarHBondContact O-CE2 3.18Å |
| 307 | V | 32.9 | Very low | 33.3 | Very low | 84 Ų | 84 | 77.1 Ų | 77.1 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 100.4 | 176 | 180 | 0 | 0 | 0 | 0 | 107 | L40 | L40-V307 HydrophobicContact CD1-CG1 3.8Å |
| 308 | W | 37 | Very low | 33.4 | Very low | 52 Ų | 52 | 78.7 Ų | 78.7 | 20% | 0.197 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.1 | 177 | -67.1 | 98.6 | 0 | 0 | 0 | 110.2 | M1 H12 W16 L40 | M1-W308 HydrophobicContact CE-CD2 3.81Å; M1-W308 HydrophobicContact CE-CE3 3.54Å; M1-W308 HydrophobicContact CE-CG 4.33Å; M1-W308 HydrophobicContact CE-CH2 4.4Å; M1-W308 HydrophobicContact CE-CZ3 3.86Å; H12-W308 AromaticContact NE2-CH2 3.85Å; W16-W308 AromaticContact CD1-CH2 3.97Å; W16-W308 AromaticContact CD1-CZ2 3.78Å; W16-W308 AromaticContact CD2-CZ2 3.75Å; W16-W308 HydrophobicContact CD2-CZ2 3.75Å; W16-W308 AromaticContact CE2-CZ2 3.95Å; W16-W308 HydrophobicContact CE3-CZ2 4.29Å; W16-W308 HydrophobicContact CG-CH2 4.32Å; W16-W308 AromaticContact CG-CZ2 3.78Å; W16-W308 HydrophobicContact CG-CZ2 3.78Å; W16-W308 AromaticContact NE1-CZ2 3.83Å; L40-W308 WeakPolarHBondContact CD1-O 3.16Å |
| 309 | K | 40.3 | Very low | 33.4 | Very low | 107 Ų | 107 | 82.4 Ų | 82.4 | 47% | 0.465 | 39% | 0.393 | S | S | . | . | trans | -101.8 | 156.5 | 178.4 | -160.7 | -167.2 | 159.4 | 179.4 | 0 | 110.6 | M1 | M1-K309 PolarHBondContact N-O 3.18Š| ||
| 310 | Y | 41.8 | Very low | 33.7 | Very low | 113 Ų | 113 | 76.5 Ų | 76.5 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | trans | -55.6 | 0 | 152 | -82 | -84.2 | 0 | 0 | 0 | 110.3 | M1 F3 T38 | M1-Y310 PolarHBondContact N-OXT 3.26Å; F3-Y310 HydrophobicContact CB-CE1 4.28Å; F3-Y310 HydrophobicContact CB-CE2 4.47Å; F3-Y310 WeakPolarHBondContact CB-OH 3.47Å; F3-Y310 AromaticContact CD2-CD2 3.94Å; F3-Y310 HydrophobicContact CD2-CD2 3.94Å; F3-Y310 HydrophobicContact CD2-CE1 4.28Å; F3-Y310 AromaticContact CD2-CE2 3.26Å; F3-Y310 HydrophobicContact CD2-CE2 3.26Å; F3-Y310 AromaticContact CD2-CZ 3.51Å; F3-Y310 HydrophobicContact CE2-CD2 4.06Å; F3-Y310 AromaticContact CE2-CE2 3.8Å; F3-Y310 HydrophobicContact CE2-CE2 3.8Å; F3-Y310 HydrophobicContact CG-CE2 4.22Å; T38-Y310 VanDerWaalsContact O-CE2 3.22Å; T38-Y310 WeakPolarHBondContact O-CE2 3.48Å; T38-Y310 PolarHBondContact O-OH 3.27Å |
Retrieved 310 of 310 residues in 2377.9 ms
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