| 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 | 43.5 | Very low | 81.1 | Confident | 241 Ų | 241 | 97.7 Ų | 97.7 | 100% | 1.187 | 48% | 0.484 | S | S | * | . | 0 | 130.2 | 0 | -69.5 | 178.8 | -165.2 | 0 | 0 | 106.2 | W3 | M1-W3 PolarHBondContact O-N 2.91Š| |||
| 2 | S | 66.7 | Low | 81.9 | Confident | 86 Ų | 86 | 100.3 Ų | 100.3 | 60% | 0.601 | 49% | 0.493 | S | S | * | . | trans | -61.1 | 130.8 | 168.8 | 48 | 0 | 0 | 0 | 0 | 108 | F4 | S2-F4 VanDerWaalsContact O-CD2 3.29Å; S2-F4 WeakPolarHBondContact O-CD2 3.41Å; S2-F4 PolarHBondContact O-N 3.33Å; S2-F4 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 3 | W | 80.6 | Confident | 82.7 | Confident | 58 Ų | 58 | 93.1 Ų | 93.1 | 22% | 0.22 | 46% | 0.458 | C | S | . | . | trans | -59.9 | 133.8 | 173.7 | 177.2 | 88.7 | 0 | 0 | 0 | 108.8 | M1 P5 K46 Y47 F50 Y88 | M1-W3 PolarHBondContact O-N 2.91Å; W3-P5 HydrophobicContact CH2-CB 3.54Å; W3-P5 HydrophobicContact CH2-CG 4.37Å; W3-P5 HydrophobicContact CZ2-CB 4.11Å; W3-P5 HydrophobicContact CZ3-CB 3.91Å; W3-P5 HydrophobicContact CZ3-CG 4.25Å; W3-K46 HydrophobicContact CB-CD 4.38Å; W3-K46 HydrophobicContact CD2-CB 4.17Å; W3-K46 HydrophobicContact CD2-CD 3.64Å; W3-K46 HydrophobicContact CE3-CB 4.26Å; W3-K46 HydrophobicContact CE3-CD 4.32Å; W3-K46 HydrophobicContact CG-CD 3.66Å; W3-K46 HydrophobicContact CH2-CB 3.66Å; W3-K46 HydrophobicContact CZ2-CB 3.56Å; W3-K46 HydrophobicContact CZ2-CD 4.25Å; W3-K46 HydrophobicContact CZ3-CB 4.03Å; W3-Y47 AromaticContact CH2-CD1 3.98Å; W3-Y47 HydrophobicContact CH2-CD1 3.98Å; W3-Y47 AromaticContact CH2-CE1 4Å; W3-Y47 HydrophobicContact CH2-CE1 4Å; W3-Y47 HydrophobicContact CH2-CG 4.48Å; W3-Y47 HydrophobicContact CZ2-CD1 4.01Å; W3-Y47 HydrophobicContact CZ2-CD2 4.46Å; W3-Y47 AromaticContact CZ2-CE1 3.71Å; W3-Y47 HydrophobicContact CZ2-CE1 3.71Å; W3-Y47 HydrophobicContact CZ2-CE2 4.22Å; W3-Y47 HydrophobicContact CZ2-CG 4.35Å; W3-Y47 AromaticContact CZ2-CZ 3.81Å; W3-F50 HydrophobicContact CH2-CB 4.27Å; W3-F50 HydrophobicContact CZ3-CB 4.23Å; W3-Y88 HydrophobicContact CE3-CE1 4.41Å; W3-Y88 HydrophobicContact CE3-CE2 4.11Å; W3-Y88 AromaticContact CE3-CZ 3.89Å; W3-Y88 HydrophobicContact CZ3-CE1 4.16Å; W3-Y88 HydrophobicContact CZ3-CE2 4.42Å; W3-Y88 AromaticContact CZ3-CZ 3.75Å; W3-Y88 WeakPolarHBondContact CZ3-OH 3.43Å | ||
| 4 | F | 82.5 | Confident | 83.4 | Confident | 159 Ų | 159 | 87.9 Ų | 87.9 | 70% | 0.697 | 43% | 0.433 | S | S | * | . | trans | -120.8 | 132.4 | 171.5 | -78.4 | -82.8 | 0 | 0 | 0 | 107.2 | S2 | S2-F4 VanDerWaalsContact O-CD2 3.29Å; S2-F4 WeakPolarHBondContact O-CD2 3.41Å; S2-F4 PolarHBondContact O-N 3.33Å; S2-F4 WeakPolarHBondContact OG-CE2 3.35Å | ||
| 5 | P | 83.7 | Confident | 84 | Confident | 34 Ų | 34 | 87.7 Ų | 87.7 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | trans | -65.2 | 141 | 177.3 | 29 | -35.4 | 0 | 0 | 0 | 110.1 | W3 I10 Y47 F50 | W3-P5 HydrophobicContact CH2-CB 3.54Å; W3-P5 HydrophobicContact CH2-CG 4.37Å; W3-P5 HydrophobicContact CZ2-CB 4.11Å; W3-P5 HydrophobicContact CZ3-CB 3.91Å; W3-P5 HydrophobicContact CZ3-CG 4.25Å; P5-I10 HydrophobicContact CB-CD1 3.71Å; P5-I10 HydrophobicContact CB-CG1 3.91Å; P5-I10 HydrophobicContact CG-CD1 3.98Å; P5-Y47 HydrophobicContact CB-CD1 4.31Å; P5-Y47 HydrophobicContact CB-CE1 3.83Å; P5-F50 HydrophobicContact CB-CD1 4.4Å; P5-F50 HydrophobicContact CB-CD2 4.47Å; P5-F50 HydrophobicContact CB-CG 4.36Å; P5-F50 HydrophobicContact CG-CD1 4.27Å; P5-F50 HydrophobicContact CG-CD2 3.8Å; P5-F50 HydrophobicContact CG-CE1 4.09Å; P5-F50 HydrophobicContact CG-CE2 3.59Å; P5-F50 HydrophobicContact CG-CG 4.14Å; P5-F50 HydrophobicContact CG-CZ 3.74Å | ||
| 6 | D | 90 | Very high | 84.5 | Confident | 84 Ų | 84 | 82.9 Ų | 82.9 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -87.1 | 148.3 | 166.3 | 73.7 | 65.8 | 0 | 0 | 0 | 110.8 | D8 G9 I10 Y47 | D6-D8 PolarHBondContact O-N 2.81Å; D6-D8 PolarHBondContact OD1-N 3.19Å; D6-G9 PolarHBondContact O-N 3.11Å; D6-G9 PolarHBondContact OD1-N 3.25Å; D6-I10 WeakPolarHBondContact O-CG1 3.22Å; D6-I10 PolarHBondContact O-N 3.27Å; D6-I10 VanDerWaalsContact O-N 3.17Å; D6-Y47 PolarHBondContact N-OH 2.91Å; D6-Y47 PolarHBondContact OD2-OH 3.36Å | ||
| 7 | E | 88.6 | Confident | 85 | Confident | 154 Ų | 154 | 78.1 Ų | 78.1 | 72% | 0.72 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.8 | -29.6 | -175.6 | -71.3 | -174.8 | 174.5 | 0 | 0 | 112.8 | R11 | E7-R11 WeakPolarHBondContact O-CB 3.44Å; E7-R11 PolarHBondContact O-N 3.2Å |
| 8 | D | 88.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -75 | -38.3 | -178.6 | -76 | -25.1 | 0 | 0 | 0 | 111.4 | D6 R11 Q12 | D6-D8 PolarHBondContact O-N 2.81Å; D6-D8 PolarHBondContact OD1-N 3.19Å; D8-R11 PolarHBondContact O-N 2.82Å; D8-R11 IonicContact OD1-CZ 2.7Å; D8-R11 IonicContact OD1-NH1 2.76Å; D8-R11 PolarHBondContact OD1-NH1 3.48Å; D8-R11 IonicContact OD1-NH2 3.75Å; D8-Q12 WeakPolarHBondContact O-CB 3.39Å; D8-Q12 VanDerWaalsContact O-CG 3.29Å; D8-Q12 WeakPolarHBondContact O-CG 3.43Å; D8-Q12 PolarHBondContact O-N 3.27Å |
| 9 | G | 87.7 | Confident | 85.6 | Confident | 9 Ų | 9 | 78.3 Ų | 78.3 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D6 T13 | D6-G9 PolarHBondContact O-N 3.11Å; D6-G9 PolarHBondContact OD1-N 3.25Å; G9-T13 WeakPolarHBondContact O-CB 3.47Å; G9-T13 PolarHBondContact O-N 3.21Å; G9-T13 VanDerWaalsContact O-N 3.08Å; G9-T13 PolarHBondContact O-OG1 2.88Å |
| 10 | I | 89.7 | Confident | 85.7 | Confident | 34 Ų | 34 | 75.3 Ų | 75.3 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 169.3 | -65.8 | 166.8 | 0 | 0 | 0 | 109.5 | P5 D6 Q12 T13 L14 Y47 F50 | P5-I10 HydrophobicContact CB-CD1 3.71Å; P5-I10 HydrophobicContact CB-CG1 3.91Å; P5-I10 HydrophobicContact CG-CD1 3.98Å; D6-I10 WeakPolarHBondContact O-CG1 3.22Å; D6-I10 PolarHBondContact O-N 3.27Å; D6-I10 VanDerWaalsContact O-N 3.17Å; I10-Q12 PolarHBondContact O-N 3.17Å; I10-T13 PolarHBondContact O-N 3.39Å; I10-L14 HydrophobicContact CG2-CD1 3.69Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.94Å; I10-Y47 HydrophobicContact CG1-CD1 4.1Å; I10-Y47 HydrophobicContact CG1-CE1 4.22Å; I10-F50 HydrophobicContact CD1-CD1 4.03Å; I10-F50 HydrophobicContact CD1-CE1 3.52Å; I10-F50 HydrophobicContact CD1-CZ 4.23Å; I10-F50 HydrophobicContact CG1-CD1 4.11Å; I10-F50 HydrophobicContact CG1-CE1 4.1Å |
| 11 | R | 91.2 | Very high | 85.7 | Confident | 126 Ų | 126 | 75.4 Ų | 75.4 | 48% | 0.475 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | -177.6 | -166.1 | -174.2 | -54.4 | 124.7 | 9.9 | 112.1 | E7 D8 T13 L14 D15 | E7-R11 WeakPolarHBondContact O-CB 3.44Å; E7-R11 PolarHBondContact O-N 3.2Å; D8-R11 PolarHBondContact O-N 2.82Å; D8-R11 IonicContact OD1-CZ 2.7Å; D8-R11 IonicContact OD1-NH1 2.76Å; D8-R11 PolarHBondContact OD1-NH1 3.48Å; D8-R11 IonicContact OD1-NH2 3.75Å; R11-T13 VanDerWaalsContact C-N 3.3Å; R11-T13 PolarHBondContact O-N 2.95Å; R11-L14 PolarHBondContact O-N 3.4Å; R11-D15 WeakPolarHBondContact O-CB 3.37Å; R11-D15 VanDerWaalsContact O-CG 3.23Å; R11-D15 PolarHBondContact O-N 3.03Å |
| 12 | Q | 90.6 | Very high | 87.7 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 60% | 0.603 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.9 | -38.2 | 178.1 | -73.5 | 175.9 | 27.7 | 0 | 0 | 112.6 | D8 I10 L16 | D8-Q12 WeakPolarHBondContact O-CB 3.39Å; D8-Q12 VanDerWaalsContact O-CG 3.29Å; D8-Q12 WeakPolarHBondContact O-CG 3.43Å; D8-Q12 PolarHBondContact O-N 3.27Å; I10-Q12 PolarHBondContact O-N 3.17Å; Q12-L16 PolarHBondContact O-N 3.02Å; Q12-L16 VanDerWaalsContact O-N 3.14Å |
| 13 | T | 91.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 111 | G9 I10 R11 L16 L17 F44 L48 I51 | G9-T13 WeakPolarHBondContact O-CB 3.47Å; G9-T13 PolarHBondContact O-N 3.21Å; G9-T13 VanDerWaalsContact O-N 3.08Å; G9-T13 PolarHBondContact O-OG1 2.88Å; I10-T13 PolarHBondContact O-N 3.39Å; R11-T13 VanDerWaalsContact C-N 3.3Å; R11-T13 PolarHBondContact O-N 2.95Å; T13-L16 WeakPolarHBondContact O-CB 3.45Å; T13-L16 PolarHBondContact O-N 3.01Å; T13-L17 HydrophobicContact CG2-CD1 4.25Å; T13-L17 VanDerWaalsContact O-CG 3.26Å; T13-L17 WeakPolarHBondContact O-CG 3.26Å; T13-L17 PolarHBondContact O-N 2.97Å; T13-F44 HydrophobicContact CG2-CE2 3.99Å; T13-L48 HydrophobicContact CG2-CD2 3.89Å; T13-I51 HydrophobicContact CG2-CD1 3.43Å; T13-I51 VanDerWaalsContact CG2-CD1 3.43Å |
| 14 | L | 93.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 174.5 | -71.6 | 173.3 | 0 | 0 | 0 | 112.1 | I10 R11 L16 L17 H18 I51 E58 T62 | I10-L14 HydrophobicContact CG2-CD1 3.69Å; I10-L14 HydrophobicContact CG2-CG 4.19Å; I10-L14 WeakPolarHBondContact O-CG 3.34Å; I10-L14 PolarHBondContact O-N 2.94Å; R11-L14 PolarHBondContact O-N 3.4Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 2.78Å; L14-L17 HydrophobicContact CD2-CD1 4.45Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-L17 VanDerWaalsContact O-N 3.13Å; L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CG 3.3Å; L14-H18 PolarHBondContact O-N 2.92Å; L14-I51 HydrophobicContact CD2-CD1 3.9Å; L14-I51 HydrophobicContact CD2-CG1 4.19Å; L14-I51 HydrophobicContact CD2-CG2 4.04Å; L14-I51 HydrophobicContact CG-CD1 4.06Å; L14-E58 HydrophobicContact CD1-CG 4.34Å; L14-E58 HydrophobicContact CD2-CG 3.75Å; L14-T62 HydrophobicContact CD2-CG2 4.02Å |
| 15 | D | 91.7 | Very high | 88.6 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.3 | -41.5 | 175.4 | -71.6 | -22 | 0 | 0 | 0 | 111 | R11 N19 | R11-D15 WeakPolarHBondContact O-CB 3.37Å; R11-D15 VanDerWaalsContact O-CG 3.23Å; R11-D15 PolarHBondContact O-N 3.03Å; D15-N19 WeakPolarHBondContact O-CB 3.4Å; D15-N19 PolarHBondContact O-N 3.23Å; D15-N19 VanDerWaalsContact O-N 3.08Å; D15-N19 PolarHBondContact O-ND2 3.37Å |
| 16 | L | 91.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 173.9 | -178.3 | 71.1 | 0 | 0 | 0 | 111.7 | Q12 T13 L14 H18 N19 S20 V31 K34 L35 L38 F44 | Q12-L16 PolarHBondContact O-N 3.02Å; Q12-L16 VanDerWaalsContact O-N 3.14Å; T13-L16 WeakPolarHBondContact O-CB 3.45Å; T13-L16 PolarHBondContact O-N 3.01Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 2.78Å; L16-H18 VanDerWaalsContact C-N 3.34Å; L16-H18 PolarHBondContact O-N 3.28Å; L16-N19 WeakPolarHBondContact O-CB 3.42Å; L16-N19 PolarHBondContact O-N 3.14Å; L16-N19 VanDerWaalsContact O-N 3.15Å; L16-S20 PolarHBondContact O-N 2.98Å; L16-S20 PolarHBondContact O-OG 3.18Å; L16-V31 HydrophobicContact CD1-CB 4.42Å; L16-V31 HydrophobicContact CD1-CG1 4.25Å; L16-V31 HydrophobicContact CD1-CG2 4.26Å; L16-K34 HydrophobicContact CD1-CB 3.88Å; L16-K34 HydrophobicContact CD1-CG 3.93Å; L16-L35 HydrophobicContact CD2-CD2 3.61Å; L16-L35 HydrophobicContact CD2-CG 4.15Å; L16-L35 HydrophobicContact CG-CD2 4.47Å; L16-L38 HydrophobicContact CD2-CD1 3.54Å; L16-F44 HydrophobicContact CD2-CE2 4.1Å; L16-F44 HydrophobicContact CD2-CZ 3.92Å |
| 17 | L | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | -178.2 | -67.5 | 168.5 | 0 | 0 | 0 | 112.6 | T13 L14 S20 Q21 L48 I51 T62 L65 I69 | T13-L17 HydrophobicContact CG2-CD1 4.25Å; T13-L17 VanDerWaalsContact O-CG 3.26Å; T13-L17 WeakPolarHBondContact O-CG 3.26Å; T13-L17 PolarHBondContact O-N 2.97Å; L14-L17 HydrophobicContact CD2-CD1 4.45Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-L17 VanDerWaalsContact O-N 3.13Å; L17-S20 WeakPolarHBondContact O-CB 3.46Å; L17-S20 PolarHBondContact O-N 3.23Å; L17-Q21 PolarHBondContact O-N 3.08Å; L17-L48 HydrophobicContact CD2-CD2 4.36Å; L17-I51 HydrophobicContact CD1-CD1 3.88Å; L17-I51 HydrophobicContact CD1-CG2 4.01Å; L17-T62 HydrophobicContact CB-CG2 3.9Å; L17-T62 HydrophobicContact CD1-CG2 4.01Å; L17-L65 HydrophobicContact CB-CD2 4.37Å; L17-L65 HydrophobicContact CD2-CB 4.44Å; L17-L65 HydrophobicContact CD2-CD2 3.94Å; L17-L65 HydrophobicContact CD2-CG 3.89Å; L17-L65 WeakPolarHBondContact O-CD2 3.38Å; L17-I69 HydrophobicContact CD2-CD1 3.56Å |
| 18 | H | 92.2 | Very high | 88.2 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 37% | 0.366 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 174.6 | -66.4 | -40 | 0 | 0 | 0 | 111.6 | L14 L16 S20 Q21 E58 | L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CG 3.3Å; L14-H18 PolarHBondContact O-N 2.92Å; L16-H18 VanDerWaalsContact C-N 3.34Å; L16-H18 PolarHBondContact O-N 3.28Å; H18-S20 VanDerWaalsContact C-N 3.33Å; H18-Q21 PolarHBondContact O-N 3.17Å; H18-E58 IonicContact CE1-OE2 2.93Å; H18-E58 IonicContact NE2-OE2 3.19Å |
| 19 | N | 89.6 | Confident | 87.9 | Confident | 81 Ų | 81 | 67 Ų | 67 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 174.2 | -74.5 | -36.3 | 0 | 0 | 0 | 112 | D15 L16 Q21 S22 V27 V31 | D15-N19 WeakPolarHBondContact O-CB 3.4Å; D15-N19 PolarHBondContact O-N 3.23Å; D15-N19 VanDerWaalsContact O-N 3.08Å; D15-N19 PolarHBondContact O-ND2 3.37Å; L16-N19 WeakPolarHBondContact O-CB 3.42Å; L16-N19 PolarHBondContact O-N 3.14Å; L16-N19 VanDerWaalsContact O-N 3.15Å; N19-Q21 PolarHBondContact O-N 2.85Å; N19-S22 WeakPolarHBondContact O-CB 3.47Å; N19-S22 PolarHBondContact O-N 3.3Å; N19-V27 HydrophobicContact CB-CG1 3.71Å; N19-V27 WeakPolarHBondContact O-CG1 3.15Å; N19-V31 HydrophobicContact CB-CG2 3.62Å |
| 20 | S | 87.6 | Confident | 87.8 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.3 | -17.4 | 175 | -55.9 | 0 | 0 | 0 | 0 | 114 | L16 L17 H18 Q28 V31 | L16-S20 PolarHBondContact O-N 2.98Å; L16-S20 PolarHBondContact O-OG 3.18Å; L17-S20 WeakPolarHBondContact O-CB 3.46Å; L17-S20 PolarHBondContact O-N 3.23Å; H18-S20 VanDerWaalsContact C-N 3.33Å; S20-Q28 PolarHBondContact O-NE2 3.15Å; S20-V31 WeakPolarHBondContact OG-CG1 3.35Å |
| 21 | Q | 85.8 | Confident | 87.6 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.1 | 175.3 | -66.8 | 169.6 | -2.8 | 0 | 0 | 112.5 | L17 H18 N19 S61 T62 L65 | L17-Q21 PolarHBondContact O-N 3.08Å; H18-Q21 PolarHBondContact O-N 3.17Å; N19-Q21 PolarHBondContact O-N 2.85Å; Q21-S61 PolarHBondContact NE2-OG 2.83Å; Q21-T62 PolarHBondContact NE2-OG1 2.73Å; Q21-T62 VanDerWaalsContact NE2-OG1 3.16Å; Q21-L65 HydrophobicContact CG-CD2 4.04Å |
| 22 | S | 85.7 | Confident | 87.2 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -71.3 | 141.5 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | N19 D24 Q28 | N19-S22 WeakPolarHBondContact O-CB 3.47Å; N19-S22 PolarHBondContact O-N 3.3Å; S22-D24 PolarHBondContact O-N 3.28Å; S22-D24 WeakPolarHBondContact OG-CB 3.47Å; S22-D24 PolarHBondContact OG-N 2.81Å; S22-D24 VanDerWaalsContact OG-N 3.14Å; S22-Q28 PolarHBondContact O-NE2 2.89Å | ||
| 23 | T | 81.5 | Confident | 87 | Confident | 148 Ų | 148 | 67.8 Ų | 67.8 | 91% | 0.908 | 36% | 0.356 | S | S | * | . | trans | -81 | -1.7 | 170.8 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | T25 | T23-T25 PolarHBondContact O-N 2.89Š| ||
| 24 | D | 84.5 | Confident | 86.8 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | trans | -79 | 117.9 | 178.9 | -173.5 | -38.6 | 0 | 0 | 0 | 111.6 | S22 N26 V27 Q28 | S22-D24 PolarHBondContact O-N 3.28Å; S22-D24 WeakPolarHBondContact OG-CB 3.47Å; S22-D24 PolarHBondContact OG-N 2.81Å; S22-D24 VanDerWaalsContact OG-N 3.14Å; D24-N26 VanDerWaalsContact C-N 3.28Å; D24-N26 PolarHBondContact O-N 2.99Å; D24-N26 WeakPolarHBondContact OD1-CA 3.31Å; D24-N26 WeakPolarHBondContact OD1-CB 3.47Å; D24-N26 PolarHBondContact OD1-N 2.81Å; D24-V27 HydrophobicContact CB-CB 4.06Å; D24-V27 HydrophobicContact CB-CG2 3.76Å; D24-V27 WeakPolarHBondContact O-CB 3.38Å; D24-V27 PolarHBondContact O-N 2.86Å; D24-V27 PolarHBondContact OD1-N 3.42Å; D24-Q28 PolarHBondContact O-N 3.49Å | ||
| 25 | T | 83.4 | Confident | 86.5 | Confident | 115 Ų | 115 | 72.2 Ų | 72.2 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.8 | -35.9 | 179.6 | -44.9 | 0 | 0 | 0 | 0 | 113.7 | T23 Q28 R29 | T23-T25 PolarHBondContact O-N 2.89Å; T25-Q28 PolarHBondContact O-N 3.15Å; T25-R29 PolarHBondContact O-N 3.44Å |
| 26 | N | 85 | Confident | 86 | Confident | 92 Ų | 92 | 72 Ų | 72 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.3 | -38.1 | 177.6 | -68 | -62.6 | 0 | 0 | 0 | 111.1 | D24 R29 V30 | D24-N26 VanDerWaalsContact C-N 3.28Å; D24-N26 PolarHBondContact O-N 2.99Å; D24-N26 WeakPolarHBondContact OD1-CA 3.31Å; D24-N26 WeakPolarHBondContact OD1-CB 3.47Å; D24-N26 PolarHBondContact OD1-N 2.81Å; N26-R29 PolarHBondContact O-N 3.14Å; N26-R29 PolarHBondContact OD1-NH2 3.25Å; N26-V30 WeakPolarHBondContact O-CG2 3.41Å; N26-V30 PolarHBondContact O-N 3.07Å; N26-V30 VanDerWaalsContact O-N 3.11Å |
| 27 | V | 85.1 | Confident | 85.7 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 25% | 0.248 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | N19 D24 R29 V30 V31 | N19-V27 HydrophobicContact CB-CG1 3.71Å; N19-V27 WeakPolarHBondContact O-CG1 3.15Å; D24-V27 HydrophobicContact CB-CB 4.06Å; D24-V27 HydrophobicContact CB-CG2 3.76Å; D24-V27 WeakPolarHBondContact O-CB 3.38Å; D24-V27 PolarHBondContact O-N 2.86Å; D24-V27 PolarHBondContact OD1-N 3.42Å; V27-R29 PolarHBondContact O-N 2.91Å; V27-V30 PolarHBondContact O-N 3.2Å; V27-V31 HydrophobicContact CG1-CG2 4.24Å; V27-V31 WeakPolarHBondContact O-CB 3.36Å; V27-V31 VanDerWaalsContact O-CG2 3.23Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.33Å |
| 28 | Q | 82.8 | Confident | 85.4 | Confident | 75 Ų | 75 | 78.2 Ų | 78.2 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.4 | -70.8 | -64.6 | -19.7 | 0 | 0 | 113 | S20 S22 D24 T25 V31 H32 | S20-Q28 PolarHBondContact O-NE2 3.15Å; S22-Q28 PolarHBondContact O-NE2 2.89Å; D24-Q28 PolarHBondContact O-N 3.49Å; T25-Q28 PolarHBondContact O-N 3.15Å; Q28-V31 WeakPolarHBondContact O-CB 3.15Å; Q28-V31 PolarHBondContact O-N 2.88Å; Q28-H32 WeakPolarHBondContact O-CB 3.48Å; Q28-H32 PolarHBondContact O-N 3.24Å |
| 29 | R | 81.8 | Confident | 84.9 | Confident | 145 Ų | 145 | 76.3 Ų | 76.3 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.3 | -173.7 | 178.8 | 63.7 | -151.8 | -11.1 | 111.9 | T25 N26 V27 V31 H32 E33 | T25-R29 PolarHBondContact O-N 3.44Å; N26-R29 PolarHBondContact O-N 3.14Å; N26-R29 PolarHBondContact OD1-NH2 3.25Å; V27-R29 PolarHBondContact O-N 2.91Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 3.49Å; R29-H32 PolarHBondContact O-N 2.88Å; R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.28Å |
| 30 | V | 85.8 | Confident | 84.4 | Confident | 84 Ų | 84 | 78.9 Ų | 78.9 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 178.1 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | N26 V27 K34 | N26-V30 WeakPolarHBondContact O-CG2 3.41Å; N26-V30 PolarHBondContact O-N 3.07Å; N26-V30 VanDerWaalsContact O-N 3.11Å; V27-V30 PolarHBondContact O-N 3.2Å; V30-K34 VanDerWaalsContact O-CB 3.26Å; V30-K34 WeakPolarHBondContact O-CB 3.42Å; V30-K34 PolarHBondContact O-N 3.31Å |
| 31 | V | 86.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 81.3 Ų | 81.3 | 4% | 0.036 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 173.8 | 162.7 | 0 | 0 | 0 | 0 | 110.8 | L16 N19 S20 V27 Q28 R29 K34 L35 | L16-V31 HydrophobicContact CD1-CB 4.42Å; L16-V31 HydrophobicContact CD1-CG1 4.25Å; L16-V31 HydrophobicContact CD1-CG2 4.26Å; N19-V31 HydrophobicContact CB-CG2 3.62Å; S20-V31 WeakPolarHBondContact OG-CG1 3.35Å; V27-V31 HydrophobicContact CG1-CG2 4.24Å; V27-V31 WeakPolarHBondContact O-CB 3.36Å; V27-V31 VanDerWaalsContact O-CG2 3.23Å; V27-V31 WeakPolarHBondContact O-CG2 3.43Å; V27-V31 PolarHBondContact O-N 3.33Å; Q28-V31 WeakPolarHBondContact O-CB 3.15Å; Q28-V31 PolarHBondContact O-N 2.88Å; R29-V31 VanDerWaalsContact C-N 3.33Å; R29-V31 PolarHBondContact O-N 3.49Å; V31-K34 PolarHBondContact O-N 3.03Å; V31-L35 HydrophobicContact CG1-CD1 3.82Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.96Å |
| 32 | H | 83.1 | Confident | 83.7 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 53% | 0.532 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 179.9 | -174.9 | 84.5 | 0 | 0 | 0 | 112 | Q28 R29 K34 L35 N36 | Q28-H32 WeakPolarHBondContact O-CB 3.48Å; Q28-H32 PolarHBondContact O-N 3.24Å; R29-H32 PolarHBondContact O-N 2.88Å; H32-K34 VanDerWaalsContact C-N 3.27Å; H32-K34 PolarHBondContact O-N 3.2Å; H32-L35 PolarHBondContact O-N 2.91Å; H32-N36 PolarHBondContact CD2-ND2 3.1Å; H32-N36 PolarHBondContact NE2-ND2 3.44Å; H32-N36 VanDerWaalsContact NE2-ND2 3.17Å; H32-N36 PolarHBondContact O-N 3.5Å; H32-N36 VanDerWaalsContact O-N 3.11Å; H32-N36 PolarHBondContact O-ND2 3.35Å |
| 33 | E | 85.7 | Confident | 83.7 | Confident | 109 Ų | 109 | 83.1 Ų | 83.1 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 173.2 | -72.5 | 173 | -175.9 | 0 | 0 | 111.1 | R29 N36 E37 | R29-E33 WeakPolarHBondContact O-CG 3.49Å; R29-E33 PolarHBondContact O-N 3.28Å; E33-N36 PolarHBondContact O-N 3.38Å; E33-E37 PolarHBondContact O-N 3.14Å; E33-E37 VanDerWaalsContact O-N 3.1Å |
| 34 | K | 87.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 76.3 Ų | 76.3 | 39% | 0.391 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.6 | -35.8 | -178.2 | -164.7 | 65.2 | -173 | 169.6 | 0 | 113.4 | L16 V30 V31 H32 E37 L38 | L16-K34 HydrophobicContact CD1-CB 3.88Å; L16-K34 HydrophobicContact CD1-CG 3.93Å; V30-K34 VanDerWaalsContact O-CB 3.26Å; V30-K34 WeakPolarHBondContact O-CB 3.42Å; V30-K34 PolarHBondContact O-N 3.31Å; V31-K34 PolarHBondContact O-N 3.03Å; H32-K34 VanDerWaalsContact C-N 3.27Å; H32-K34 PolarHBondContact O-N 3.2Å; K34-E37 WeakPolarHBondContact CD-OE2 3.41Å; K34-E37 IonicContact NZ-OE2 3.47Å; K34-E37 PolarHBondContact NZ-OE2 3.42Å; K34-E37 PolarHBondContact O-N 2.9Å; K34-L38 HydrophobicContact CG-CD1 3.89Å; K34-L38 HydrophobicContact CG-CG 4.31Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.41Å |
| 35 | L | 86.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 173 | -76.8 | 168.9 | 0 | 0 | 0 | 110.7 | L16 V31 H32 E37 L38 N39 F44 I69 | L16-L35 HydrophobicContact CD2-CD2 3.61Å; L16-L35 HydrophobicContact CD2-CG 4.15Å; L16-L35 HydrophobicContact CG-CD2 4.47Å; V31-L35 HydrophobicContact CG1-CD1 3.82Å; V31-L35 HydrophobicContact CG1-CG 4.33Å; V31-L35 WeakPolarHBondContact O-CB 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.36Å; V31-L35 PolarHBondContact O-N 2.96Å; H32-L35 PolarHBondContact O-N 2.91Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.34Å; L35-N39 WeakPolarHBondContact O-CB 3.34Å; L35-N39 PolarHBondContact O-N 3.19Å; L35-N39 PolarHBondContact O-ND2 3.08Å; L35-N39 PolarHBondContact O-OD1 2.91Å; L35-F44 HydrophobicContact CD2-CE1 4.26Å; L35-F44 HydrophobicContact CD2-CZ 3.93Å; L35-I69 HydrophobicContact CD2-CD1 4.03Å; L35-I69 HydrophobicContact CD2-CG2 3.84Å |
| 36 | N | 82.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 176.6 | -70.1 | -26.2 | 0 | 0 | 0 | 112.4 | H32 E33 N40 | H32-N36 PolarHBondContact CD2-ND2 3.1Å; H32-N36 PolarHBondContact NE2-ND2 3.44Å; H32-N36 VanDerWaalsContact NE2-ND2 3.17Å; H32-N36 PolarHBondContact O-N 3.5Å; H32-N36 VanDerWaalsContact O-N 3.11Å; H32-N36 PolarHBondContact O-ND2 3.35Å; E33-N36 PolarHBondContact O-N 3.38Å; N36-N40 PolarHBondContact O-ND2 3.02Å; N36-N40 VanDerWaalsContact O-ND2 3.17Å |
| 37 | E | 85.5 | Confident | 85.5 | Confident | 114 Ų | 114 | 66.4 Ų | 66.4 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -50.7 | 172.3 | -71.5 | -176.5 | 174 | 0 | 0 | 112.1 | E33 K34 L35 N39 N40 | E33-E37 PolarHBondContact O-N 3.14Å; E33-E37 VanDerWaalsContact O-N 3.1Å; K34-E37 WeakPolarHBondContact CD-OE2 3.41Å; K34-E37 IonicContact NZ-OE2 3.47Å; K34-E37 PolarHBondContact NZ-OE2 3.42Å; K34-E37 PolarHBondContact O-N 2.9Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-E37 PolarHBondContact O-N 3.41Å; E37-N39 VanDerWaalsContact C-N 3.31Å; E37-N39 PolarHBondContact O-N 3.01Å; E37-N40 PolarHBondContact O-N 2.9Å |
| 38 | L | 85.9 | Confident | 86 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.1 | -24.9 | -173.8 | -72.2 | 172.5 | 0 | 0 | 0 | 113.3 | L16 K34 L35 N40 V41 F44 | L16-L38 HydrophobicContact CD2-CD1 3.54Å; K34-L38 HydrophobicContact CG-CD1 3.89Å; K34-L38 HydrophobicContact CG-CG 4.31Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 3.34Å; L38-N40 PolarHBondContact O-N 2.94Å; L38-N40 VanDerWaalsContact O-N 3.11Å; L38-V41 HydrophobicContact CD2-CG2 4.09Å; L38-V41 VanDerWaalsContact O-CB 3.32Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 2.8Å; L38-F44 HydrophobicContact CB-CD1 3.84Å; L38-F44 HydrophobicContact CB-CD2 3.88Å; L38-F44 HydrophobicContact CB-CE1 3.9Å; L38-F44 HydrophobicContact CB-CE2 3.94Å; L38-F44 HydrophobicContact CB-CG 3.83Å; L38-F44 HydrophobicContact CB-CZ 3.96Å; L38-F44 HydrophobicContact CD1-CD2 4.16Å; L38-F44 HydrophobicContact CD1-CE2 3.73Å; L38-F44 HydrophobicContact CD1-CZ 4.13Å; L38-F44 HydrophobicContact CG-CD2 4.42Å; L38-F44 HydrophobicContact CG-CE2 4.38Å; L38-F44 VanDerWaalsContact O-CB 3.27Å; L38-F44 WeakPolarHBondContact O-CB 3.36Å; L38-F44 WeakPolarHBondContact O-CD1 3.2Å |
| 39 | N | 82.1 | Confident | 86.6 | Confident | 39 Ų | 39 | 61 Ų | 61 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.2 | 172.8 | -76.1 | -7.1 | 0 | 0 | 0 | 113.1 | L35 E37 F44 N73 | L35-N39 WeakPolarHBondContact O-CB 3.34Å; L35-N39 PolarHBondContact O-N 3.19Å; L35-N39 PolarHBondContact O-ND2 3.08Å; L35-N39 PolarHBondContact O-OD1 2.91Å; E37-N39 VanDerWaalsContact C-N 3.31Å; E37-N39 PolarHBondContact O-N 3.01Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.46Å; N39-N73 VanDerWaalsContact CG-OD1 3.31Å; N39-N73 PolarHBondContact ND2-OD1 2.96Å; N39-N73 VanDerWaalsContact OD1-CG 3.25Å; N39-N73 PolarHBondContact OD1-ND2 2.95Å; N39-N73 PolarHBondContact OD1-OD1 2.85Å; N39-N73 VanDerWaalsContact OD1-OD1 3.07Å |
| 40 | N | 78.3 | Confident | 87.2 | Confident | 135 Ų | 135 | 55.9 Ų | 55.9 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -7.2 | 173 | -63.2 | -63.6 | 0 | 0 | 0 | 113.7 | N36 E37 L38 | N36-N40 PolarHBondContact O-ND2 3.02Å; N36-N40 VanDerWaalsContact O-ND2 3.17Å; E37-N40 PolarHBondContact O-N 2.9Å; L38-N40 PolarHBondContact O-N 2.94Å; L38-N40 VanDerWaalsContact O-N 3.11Å |
| 41 | V | 83.3 | Confident | 87.7 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -84.2 | 120.6 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | L38 D43 F44 | L38-V41 HydrophobicContact CD2-CG2 4.09Å; L38-V41 VanDerWaalsContact O-CB 3.32Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 2.8Å; V41-D43 PolarHBondContact O-N 3.25Å; V41-F44 HydrophobicContact CB-CB 4.13Å; V41-F44 WeakPolarHBondContact O-CB 3.33Å; V41-F44 PolarHBondContact O-N 3.43Å; V41-F44 VanDerWaalsContact O-N 3.09Å |
| 42 | P | 75.5 | Confident | 88.1 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 66% | 0.656 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -30.2 | -171.5 | -28.2 | 34.6 | 0 | 0 | 0 | 115.8 | ||
| 43 | D | 87.1 | Confident | 88.7 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -5.8 | -176.8 | -73.5 | -22.7 | 0 | 0 | 0 | 113.7 | V41 N45 K46 Y47 | V41-D43 PolarHBondContact O-N 3.25Å; D43-N45 VanDerWaalsContact C-N 3.35Å; D43-N45 PolarHBondContact O-N 3.12Å; D43-K46 WeakPolarHBondContact O-CA 3.49Å; D43-K46 WeakPolarHBondContact O-CB 3.44Å; D43-K46 PolarHBondContact O-N 3.05Å; D43-K46 WeakPolarHBondContact OD1-CD 3.36Å; D43-K46 WeakPolarHBondContact OD1-CE 3.47Å; D43-K46 IonicContact OD1-NZ 3.9Å; D43-K46 PolarHBondContact OD1-NZ 3.31Å; D43-Y47 HydrophobicContact CB-CD2 4.35Å; D43-Y47 HydrophobicContact CB-CE2 3.99Å; D43-Y47 VanDerWaalsContact O-CD2 3.23Å; D43-Y47 WeakPolarHBondContact O-CD2 3.4Å; D43-Y47 PolarHBondContact O-N 2.99Å |
| 44 | F | 91.8 | Very high | 88.9 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | -177.4 | 179.2 | -122.5 | 0 | 0 | 0 | 112.3 | T13 L16 L35 L38 N39 V41 K46 Y47 L48 I69 | T13-F44 HydrophobicContact CG2-CE2 3.99Å; L16-F44 HydrophobicContact CD2-CE2 4.1Å; L16-F44 HydrophobicContact CD2-CZ 3.92Å; L35-F44 HydrophobicContact CD2-CE1 4.26Å; L35-F44 HydrophobicContact CD2-CZ 3.93Å; L38-F44 HydrophobicContact CB-CD1 3.84Å; L38-F44 HydrophobicContact CB-CD2 3.88Å; L38-F44 HydrophobicContact CB-CE1 3.9Å; L38-F44 HydrophobicContact CB-CE2 3.94Å; L38-F44 HydrophobicContact CB-CG 3.83Å; L38-F44 HydrophobicContact CB-CZ 3.96Å; L38-F44 HydrophobicContact CD1-CD2 4.16Å; L38-F44 HydrophobicContact CD1-CE2 3.73Å; L38-F44 HydrophobicContact CD1-CZ 4.13Å; L38-F44 HydrophobicContact CG-CD2 4.42Å; L38-F44 HydrophobicContact CG-CE2 4.38Å; L38-F44 VanDerWaalsContact O-CB 3.27Å; L38-F44 WeakPolarHBondContact O-CB 3.36Å; L38-F44 WeakPolarHBondContact O-CD1 3.2Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.46Å; V41-F44 HydrophobicContact CB-CB 4.13Å; V41-F44 WeakPolarHBondContact O-CB 3.33Å; V41-F44 PolarHBondContact O-N 3.43Å; V41-F44 VanDerWaalsContact O-N 3.09Å; F44-K46 PolarHBondContact O-N 3.1Å; F44-Y47 WeakPolarHBondContact O-CB 3.44Å; F44-Y47 PolarHBondContact O-N 2.67Å; F44-L48 HydrophobicContact CD1-CD1 4.07Å; F44-L48 HydrophobicContact CE1-CD1 3.68Å; F44-L48 HydrophobicContact CE1-CG 4.3Å; F44-L48 HydrophobicContact CE2-CD2 4.27Å; F44-L48 HydrophobicContact CE2-CG 4.29Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 4.06Å; F44-L48 HydrophobicContact CZ-CG 4.12Å; F44-L48 PolarHBondContact O-N 2.82Å; F44-I69 HydrophobicContact CE1-CG2 4.41Å |
| 45 | N | 92.9 | Very high | 89 | Confident | 18 Ų | 18 | 41.5 Ų | 41.5 | 10% | 0.096 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -27.4 | 175.4 | -72.1 | -22.3 | 0 | 0 | 0 | 113 | D43 A49 L70 N73 L85 | D43-N45 VanDerWaalsContact C-N 3.35Å; D43-N45 PolarHBondContact O-N 3.12Å; N45-A49 WeakPolarHBondContact O-CB 3.29Å; N45-A49 PolarHBondContact O-N 3.23Å; N45-L70 HydrophobicContact CB-CD1 3.71Å; N45-N73 PolarHBondContact OD1-ND2 3.34Å; N45-L85 HydrophobicContact CB-CD1 3.88Å; N45-L85 HydrophobicContact CB-CD2 3.74Å; N45-L85 HydrophobicContact CB-CG 4.41Å |
| 46 | K | 93 | Very high | 88.8 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71 | -38.7 | 172.7 | -60.1 | -177.1 | -173.5 | 150.3 | 0 | 111.2 | W3 D43 F44 A49 F50 L85 Y88 | W3-K46 HydrophobicContact CB-CD 4.38Å; W3-K46 HydrophobicContact CD2-CB 4.17Å; W3-K46 HydrophobicContact CD2-CD 3.64Å; W3-K46 HydrophobicContact CE3-CB 4.26Å; W3-K46 HydrophobicContact CE3-CD 4.32Å; W3-K46 HydrophobicContact CG-CD 3.66Å; W3-K46 HydrophobicContact CH2-CB 3.66Å; W3-K46 HydrophobicContact CZ2-CB 3.56Å; W3-K46 HydrophobicContact CZ2-CD 4.25Å; W3-K46 HydrophobicContact CZ3-CB 4.03Å; D43-K46 WeakPolarHBondContact O-CA 3.49Å; D43-K46 WeakPolarHBondContact O-CB 3.44Å; D43-K46 PolarHBondContact O-N 3.05Å; D43-K46 WeakPolarHBondContact OD1-CD 3.36Å; D43-K46 WeakPolarHBondContact OD1-CE 3.47Å; D43-K46 IonicContact OD1-NZ 3.9Å; D43-K46 PolarHBondContact OD1-NZ 3.31Å; F44-K46 PolarHBondContact O-N 3.1Å; K46-A49 PolarHBondContact O-N 3.17Å; K46-F50 VanDerWaalsContact O-CB 3.29Å; K46-F50 WeakPolarHBondContact O-CB 3.42Å; K46-F50 PolarHBondContact O-N 2.9Å; K46-L85 HydrophobicContact CB-CD1 4.42Å; K46-L85 HydrophobicContact CG-CD1 3.48Å; K46-L85 VanDerWaalsContact CG-CD1 3.48Å; K46-Y88 HydrophobicContact CB-CD1 4.43Å; K46-Y88 HydrophobicContact CB-CE1 4.33Å; K46-Y88 HydrophobicContact CG-CD1 4.43Å |
| 47 | Y | 94.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 44.7 Ų | 44.7 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 174.3 | -72.2 | -64 | 0 | 0 | 0 | 112 | W3 P5 D6 I10 D43 F44 A49 F50 I51 | W3-Y47 AromaticContact CH2-CD1 3.98Å; W3-Y47 HydrophobicContact CH2-CD1 3.98Å; W3-Y47 AromaticContact CH2-CE1 4Å; W3-Y47 HydrophobicContact CH2-CE1 4Å; W3-Y47 HydrophobicContact CH2-CG 4.48Å; W3-Y47 HydrophobicContact CZ2-CD1 4.01Å; W3-Y47 HydrophobicContact CZ2-CD2 4.46Å; W3-Y47 AromaticContact CZ2-CE1 3.71Å; W3-Y47 HydrophobicContact CZ2-CE1 3.71Å; W3-Y47 HydrophobicContact CZ2-CE2 4.22Å; W3-Y47 HydrophobicContact CZ2-CG 4.35Å; W3-Y47 AromaticContact CZ2-CZ 3.81Å; P5-Y47 HydrophobicContact CB-CD1 4.31Å; P5-Y47 HydrophobicContact CB-CE1 3.83Å; D6-Y47 PolarHBondContact N-OH 2.91Å; D6-Y47 PolarHBondContact OD2-OH 3.36Å; I10-Y47 HydrophobicContact CG1-CD1 4.1Å; I10-Y47 HydrophobicContact CG1-CE1 4.22Å; D43-Y47 HydrophobicContact CB-CD2 4.35Å; D43-Y47 HydrophobicContact CB-CE2 3.99Å; D43-Y47 VanDerWaalsContact O-CD2 3.23Å; D43-Y47 WeakPolarHBondContact O-CD2 3.4Å; D43-Y47 PolarHBondContact O-N 2.99Å; F44-Y47 WeakPolarHBondContact O-CB 3.44Å; F44-Y47 PolarHBondContact O-N 2.67Å; Y47-A49 PolarHBondContact O-N 3.46Å; Y47-F50 PolarHBondContact O-N 3.43Å; Y47-I51 VanDerWaalsContact O-CG1 3.32Å; Y47-I51 WeakPolarHBondContact O-CG1 3.24Å; Y47-I51 PolarHBondContact O-N 2.91Å |
| 48 | L | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 173.4 | -65.7 | 175 | 0 | 0 | 0 | 111.5 | T13 L17 F44 F50 I51 L52 S66 I69 L70 | T13-L48 HydrophobicContact CG2-CD2 3.89Å; L17-L48 HydrophobicContact CD2-CD2 4.36Å; F44-L48 HydrophobicContact CD1-CD1 4.07Å; F44-L48 HydrophobicContact CE1-CD1 3.68Å; F44-L48 HydrophobicContact CE1-CG 4.3Å; F44-L48 HydrophobicContact CE2-CD2 4.27Å; F44-L48 HydrophobicContact CE2-CG 4.29Å; F44-L48 HydrophobicContact CZ-CD1 3.94Å; F44-L48 HydrophobicContact CZ-CD2 4.06Å; F44-L48 HydrophobicContact CZ-CG 4.12Å; F44-L48 PolarHBondContact O-N 2.82Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 2.95Å; L48-I51 PolarHBondContact O-N 2.84Å; L48-L52 PolarHBondContact O-N 3.36Å; L48-S66 PolarHBondContact O-OG 3.23Å; L48-I69 HydrophobicContact CD1-CB 4.21Å; L48-I69 HydrophobicContact CD1-CG2 3.65Å; L48-I69 HydrophobicContact CD2-CG2 4.44Å; L48-L70 HydrophobicContact CB-CB 4.16Å; L48-L70 HydrophobicContact CD1-CB 4.25Å |
| 49 | A | 94.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N45 K46 Y47 T53 L70 Y88 I89 | N45-A49 WeakPolarHBondContact O-CB 3.29Å; N45-A49 PolarHBondContact O-N 3.23Å; K46-A49 PolarHBondContact O-N 3.17Å; Y47-A49 PolarHBondContact O-N 3.46Å; A49-T53 WeakPolarHBondContact O-CB 3.28Å; A49-T53 WeakPolarHBondContact O-CG2 3.13Å; A49-T53 PolarHBondContact O-N 2.66Å; A49-T53 PolarHBondContact O-OG1 3.34Å; A49-L70 HydrophobicContact CB-CD2 3.91Å; A49-Y88 HydrophobicContact CB-CD1 4.1Å; A49-Y88 HydrophobicContact CB-CE1 3.88Å; A49-I89 HydrophobicContact CB-CG1 3.96Å |
| 50 | F | 94.9 | Very high | 90.3 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 17% | 0.167 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176 | 179.2 | -93.7 | 0 | 0 | 0 | 111.9 | W3 P5 I10 K46 Y47 L48 T53 N54 A55 | W3-F50 HydrophobicContact CH2-CB 4.27Å; W3-F50 HydrophobicContact CZ3-CB 4.23Å; P5-F50 HydrophobicContact CB-CD1 4.4Å; P5-F50 HydrophobicContact CB-CD2 4.47Å; P5-F50 HydrophobicContact CB-CG 4.36Å; P5-F50 HydrophobicContact CG-CD1 4.27Å; P5-F50 HydrophobicContact CG-CD2 3.8Å; P5-F50 HydrophobicContact CG-CE1 4.09Å; P5-F50 HydrophobicContact CG-CE2 3.59Å; P5-F50 HydrophobicContact CG-CG 4.14Å; P5-F50 HydrophobicContact CG-CZ 3.74Å; I10-F50 HydrophobicContact CD1-CD1 4.03Å; I10-F50 HydrophobicContact CD1-CE1 3.52Å; I10-F50 HydrophobicContact CD1-CZ 4.23Å; I10-F50 HydrophobicContact CG1-CD1 4.11Å; I10-F50 HydrophobicContact CG1-CE1 4.1Å; K46-F50 VanDerWaalsContact O-CB 3.29Å; K46-F50 WeakPolarHBondContact O-CB 3.42Å; K46-F50 PolarHBondContact O-N 2.9Å; Y47-F50 PolarHBondContact O-N 3.43Å; L48-F50 VanDerWaalsContact C-N 3.34Å; L48-F50 PolarHBondContact O-N 2.95Å; F50-T53 PolarHBondContact O-N 3.42Å; F50-N54 HydrophobicContact CD2-CB 3.66Å; F50-N54 HydrophobicContact CE2-CB 3.48Å; F50-N54 VanDerWaalsContact CE2-CB 3.48Å; F50-N54 HydrophobicContact CG-CB 4.27Å; F50-N54 HydrophobicContact CZ-CB 3.96Å; F50-N54 WeakPolarHBondContact O-CA 3.44Å; F50-N54 WeakPolarHBondContact O-CB 3.39Å; F50-N54 PolarHBondContact O-N 3.49Å; F50-A55 PolarHBondContact O-N 3.08Å |
| 51 | I | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 178.5 | -70.4 | 165.4 | 0 | 0 | 0 | 110.2 | T13 L14 L17 Y47 L48 T53 A55 | T13-I51 HydrophobicContact CG2-CD1 3.43Å; T13-I51 VanDerWaalsContact CG2-CD1 3.43Å; L14-I51 HydrophobicContact CD2-CD1 3.9Å; L14-I51 HydrophobicContact CD2-CG1 4.19Å; L14-I51 HydrophobicContact CD2-CG2 4.04Å; L14-I51 HydrophobicContact CG-CD1 4.06Å; L17-I51 HydrophobicContact CD1-CD1 3.88Å; L17-I51 HydrophobicContact CD1-CG2 4.01Å; Y47-I51 VanDerWaalsContact O-CG1 3.32Å; Y47-I51 WeakPolarHBondContact O-CG1 3.24Å; Y47-I51 PolarHBondContact O-N 2.91Å; L48-I51 PolarHBondContact O-N 2.84Å; I51-T53 PolarHBondContact O-N 3.48Å; I51-A55 HydrophobicContact CB-CB 4.49Å; I51-A55 HydrophobicContact CG2-CB 4.47Å; I51-A55 WeakPolarHBondContact O-CB 3.45Å |
| 52 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -49.4 | 175.1 | 176.5 | 65.2 | 0 | 0 | 0 | 112.1 | L48 R63 S66 I104 I107 V108 L111 | L48-L52 PolarHBondContact O-N 3.36Å; L52-R63 WeakPolarHBondContact CD1-O 3.47Å; L52-R63 PolarHBondContact O-NE 3Å; L52-R63 VanDerWaalsContact O-NE 3.09Å; L52-R63 PolarHBondContact O-NH2 3.39Å; L52-S66 PolarHBondContact N-OG 3.26Å; L52-I104 HydrophobicContact CD1-CD1 4.14Å; L52-I104 HydrophobicContact CD1-CG2 4.1Å; L52-I107 HydrophobicContact CD1-CG2 4.06Å; L52-I107 HydrophobicContact CD2-CG2 4.34Å; L52-V108 HydrophobicContact CD2-CG2 4.36Å; L52-L111 HydrophobicContact CD2-CD1 3.29Å |
| 53 | T | 94 | Very high | 92.5 | Very high | 19 Ų | 19 | 33.5 Ų | 33.5 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -99.5 | -20.4 | -162.7 | 60.9 | 0 | 0 | 0 | 0 | 115.1 | A49 F50 I51 G92 C96 | A49-T53 WeakPolarHBondContact O-CB 3.28Å; A49-T53 WeakPolarHBondContact O-CG2 3.13Å; A49-T53 PolarHBondContact O-N 2.66Å; A49-T53 PolarHBondContact O-OG1 3.34Å; F50-T53 PolarHBondContact O-N 3.42Å; I51-T53 PolarHBondContact O-N 3.48Å; T53-G92 VanDerWaalsContact CG2-C 3.49Å; T53-G92 WeakPolarHBondContact CG2-O 3.25Å; T53-C96 HydrophobicContact CG2-CB 3.92Å |
| 54 | N | 91.9 | Very high | 92.8 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -130.7 | -18.6 | -169.2 | -82.4 | 83.3 | 0 | 0 | 0 | 113.8 | F50 G56 R95 | F50-N54 HydrophobicContact CD2-CB 3.66Å; F50-N54 HydrophobicContact CE2-CB 3.48Å; F50-N54 VanDerWaalsContact CE2-CB 3.48Å; F50-N54 HydrophobicContact CG-CB 4.27Å; F50-N54 HydrophobicContact CZ-CB 3.96Å; F50-N54 WeakPolarHBondContact O-CA 3.44Å; F50-N54 WeakPolarHBondContact O-CB 3.39Å; F50-N54 PolarHBondContact O-N 3.49Å; N54-G56 VanDerWaalsContact C-N 3.3Å; N54-G56 PolarHBondContact O-N 3.01Å; N54-R95 PolarHBondContact OD1-NH1 3.2Å; N54-R95 VanDerWaalsContact OD1-NH1 3.16Å |
| 55 | A | 88.7 | Confident | 92.9 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | trans | -86.1 | 61.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F50 I51 S57 E58 | F50-A55 PolarHBondContact O-N 3.08Å; I51-A55 HydrophobicContact CB-CB 4.49Å; I51-A55 HydrophobicContact CG2-CB 4.47Å; I51-A55 WeakPolarHBondContact O-CB 3.45Å; A55-S57 PolarHBondContact O-N 3.28Å; A55-E58 HydrophobicContact CB-CG 3.98Å; A55-E58 WeakPolarHBondContact O-CB 3.33Å; A55-E58 PolarHBondContact O-N 3.12Å | ||
| 56 | G | 82.3 | Confident | 93.1 | Very high | 66 Ų | 66 | 31.8 Ų | 31.8 | 68% | 0.68 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N54 E58 | N54-G56 VanDerWaalsContact C-N 3.3Å; N54-G56 PolarHBondContact O-N 3.01Å; G56-E58 VanDerWaalsContact C-N 3.35Å |
| 57 | S | 88.4 | Confident | 93.2 | Very high | 111 Ų | 111 | 30 Ų | 30 | 78% | 0.776 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -19.1 | 170.6 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | A55 | A55-S57 PolarHBondContact O-N 3.28Š|
| 58 | E | 92.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -84.8 | 156.5 | -178.1 | -64.2 | -56.5 | 138.6 | 0 | 0 | 112.2 | L14 H18 A55 G56 R63 | L14-E58 HydrophobicContact CD1-CG 4.34Å; L14-E58 HydrophobicContact CD2-CG 3.75Å; H18-E58 IonicContact CE1-OE2 2.93Å; H18-E58 IonicContact NE2-OE2 3.19Å; A55-E58 HydrophobicContact CB-CG 3.98Å; A55-E58 WeakPolarHBondContact O-CB 3.33Å; A55-E58 PolarHBondContact O-N 3.12Å; G56-E58 VanDerWaalsContact C-N 3.35Å; E58-R63 HydrophobicContact CB-CG 4.01Å |
| 59 | S | 93 | Very high | 93.1 | Very high | 61 Ų | 61 | 33 Ų | 33 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | trans | -64.4 | 146.2 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | S61 T62 R63 | S59-S61 PolarHBondContact O-N 3.42Å; S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 WeakPolarHBondContact OG-CB 3.25Å; S59-T62 PolarHBondContact OG-N 3.41Å; S59-T62 PolarHBondContact OG-OG1 2.97Å; S59-R63 PolarHBondContact O-N 3.41Å | ||
| 60 | D | 93.2 | Very high | 93.1 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 38% | 0.38 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -52.7 | -40.7 | 175.7 | -69.2 | -3.4 | 0 | 0 | 0 | 112.1 | T62 R63 S64 S101 | D60-T62 PolarHBondContact O-N 3.47Å; D60-R63 PolarHBondContact O-N 3.25Å; D60-S64 VanDerWaalsContact O-CB 3.29Å; D60-S64 WeakPolarHBondContact O-CB 3.23Å; D60-S64 PolarHBondContact O-N 3.42Å; D60-S64 PolarHBondContact O-OG 3Å; D60-S64 VanDerWaalsContact O-OG 3.12Å; D60-S101 WeakPolarHBondContact OD2-CB 3.05Å; D60-S101 PolarHBondContact OD2-OG 3.37Å |
| 61 | S | 92.3 | Very high | 93.1 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 112.8 | Q21 S59 L65 | Q21-S61 PolarHBondContact NE2-OG 2.83Å; S59-S61 PolarHBondContact O-N 3.42Å; S61-L65 VanDerWaalsContact O-CB 3.31Å; S61-L65 WeakPolarHBondContact O-CB 3.25Å; S61-L65 PolarHBondContact O-N 3.1Å |
| 62 | T | 93.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.8 | -43.9 | 179.2 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | L14 L17 Q21 S59 D60 L65 S66 | L14-T62 HydrophobicContact CD2-CG2 4.02Å; L17-T62 HydrophobicContact CB-CG2 3.9Å; L17-T62 HydrophobicContact CD1-CG2 4.01Å; Q21-T62 PolarHBondContact NE2-OG1 2.73Å; Q21-T62 VanDerWaalsContact NE2-OG1 3.16Å; S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 WeakPolarHBondContact OG-CB 3.25Å; S59-T62 PolarHBondContact OG-N 3.41Å; S59-T62 PolarHBondContact OG-OG1 2.97Å; D60-T62 PolarHBondContact O-N 3.47Å; T62-L65 PolarHBondContact O-N 3.49Å; T62-S66 PolarHBondContact O-N 2.91Å |
| 63 | R | 96.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 176.1 | -65.1 | 175.4 | 63.1 | -155.4 | 1.3 | 111.3 | L52 E58 S59 D60 S66 G67 D99 I104 | L52-R63 WeakPolarHBondContact CD1-O 3.47Å; L52-R63 PolarHBondContact O-NE 3Å; L52-R63 VanDerWaalsContact O-NE 3.09Å; L52-R63 PolarHBondContact O-NH2 3.39Å; E58-R63 HydrophobicContact CB-CG 4.01Å; S59-R63 PolarHBondContact O-N 3.41Å; D60-R63 PolarHBondContact O-N 3.25Å; R63-S66 WeakPolarHBondContact O-CB 3.31Å; R63-S66 PolarHBondContact O-N 2.98Å; R63-S66 PolarHBondContact O-OG 2.83Å; R63-G67 PolarHBondContact O-N 3.42Å; R63-D99 IonicContact CZ-OD2 3.47Å; R63-D99 VanDerWaalsContact CZ-OD2 3.31Å; R63-D99 IonicContact NH1-OD1 2.75Å; R63-D99 IonicContact NH1-OD2 3.89Å; R63-D99 PolarHBondContact NH1-OD2 3.1Å; R63-D99 IonicContact NH2-OD2 3.27Å; R63-D99 PolarHBondContact NH2-OD2 3.13Å; R63-I104 HydrophobicContact CB-CD1 3.39Å |
| 64 | S | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | D60 S66 G67 L68 M103 I104 | D60-S64 VanDerWaalsContact O-CB 3.29Å; D60-S64 WeakPolarHBondContact O-CB 3.23Å; D60-S64 PolarHBondContact O-N 3.42Å; D60-S64 PolarHBondContact O-OG 3Å; D60-S64 VanDerWaalsContact O-OG 3.12Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 2.8Å; S64-G67 PolarHBondContact O-N 3.39Å; S64-G67 VanDerWaalsContact O-N 3.12Å; S64-L68 PolarHBondContact O-N 3.43Å; S64-M103 VanDerWaalsContact CB-CE 3.5Å; S64-M103 VanDerWaalsContact OG-CG 3.23Å; S64-M103 WeakPolarHBondContact OG-CG 3.38Å; S64-M103 PolarHBondContact OG-SD 3.29Å; S64-M103 VanDerWaalsContact OG-SD 3.36Å; S64-I104 WeakPolarHBondContact OG-CD1 3.27Å |
| 65 | L | 93.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 174.8 | 178.1 | 64.4 | 0 | 0 | 0 | 111.7 | L17 Q21 S61 T62 G67 L68 I69 | L17-L65 HydrophobicContact CB-CD2 4.37Å; L17-L65 HydrophobicContact CD2-CB 4.44Å; L17-L65 HydrophobicContact CD2-CD2 3.94Å; L17-L65 HydrophobicContact CD2-CG 3.89Å; L17-L65 WeakPolarHBondContact O-CD2 3.38Å; Q21-L65 HydrophobicContact CG-CD2 4.04Å; S61-L65 VanDerWaalsContact O-CB 3.31Å; S61-L65 WeakPolarHBondContact O-CB 3.25Å; S61-L65 PolarHBondContact O-N 3.1Å; T62-L65 PolarHBondContact O-N 3.49Å; L65-G67 VanDerWaalsContact C-N 3.26Å; L65-G67 PolarHBondContact O-N 3.43Å; L65-L68 PolarHBondContact O-N 3.3Å; L65-I69 HydrophobicContact CD1-CD1 4.18Å; L65-I69 HydrophobicContact CD1-CG1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.02Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.46Å |
| 66 | S | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 176.3 | 78.9 | 0 | 0 | 0 | 0 | 112.3 | L48 L52 T62 R63 S64 L70 | L48-S66 PolarHBondContact O-OG 3.23Å; L52-S66 PolarHBondContact N-OG 3.26Å; T62-S66 PolarHBondContact O-N 2.91Å; R63-S66 WeakPolarHBondContact O-CB 3.31Å; R63-S66 PolarHBondContact O-N 2.98Å; R63-S66 PolarHBondContact O-OG 2.83Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 2.8Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.38Å |
| 67 | G | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.2 | -34.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | R63 S64 L65 L70 K71 | R63-G67 PolarHBondContact O-N 3.42Å; S64-G67 PolarHBondContact O-N 3.39Å; S64-G67 VanDerWaalsContact O-N 3.12Å; L65-G67 VanDerWaalsContact C-N 3.26Å; L65-G67 PolarHBondContact O-N 3.43Å; G67-L70 PolarHBondContact O-N 2.93Å; G67-K71 WeakPolarHBondContact O-CB 3.39Å; G67-K71 PolarHBondContact O-N 3.39Å |
| 68 | L | 94 | Very high | 92.7 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 174.4 | -72.3 | 173 | 0 | 0 | 0 | 112.2 | S64 L65 L70 K71 N72 I107 | S64-L68 PolarHBondContact O-N 3.43Å; L65-L68 PolarHBondContact O-N 3.3Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-K71 WeakPolarHBondContact O-CB 3.36Å; L68-K71 PolarHBondContact O-N 3.01Å; L68-N72 PolarHBondContact O-N 2.78Å; L68-I107 HydrophobicContact CD1-CD1 4.28Å; L68-I107 HydrophobicContact CD2-CD1 3.54Å; L68-I107 HydrophobicContact CG-CD1 3.69Å |
| 69 | I | 93.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 173.5 | -65.5 | 164.5 | 0 | 0 | 0 | 109.8 | L17 L35 F44 L48 L65 K71 N72 N73 | L17-I69 HydrophobicContact CD2-CD1 3.56Å; L35-I69 HydrophobicContact CD2-CD1 4.03Å; L35-I69 HydrophobicContact CD2-CG2 3.84Å; F44-I69 HydrophobicContact CE1-CG2 4.41Å; L48-I69 HydrophobicContact CD1-CB 4.21Å; L48-I69 HydrophobicContact CD1-CG2 3.65Å; L48-I69 HydrophobicContact CD2-CG2 4.44Å; L65-I69 HydrophobicContact CD1-CD1 4.18Å; L65-I69 HydrophobicContact CD1-CG1 4.36Å; L65-I69 HydrophobicContact CG-CD1 4.02Å; L65-I69 WeakPolarHBondContact O-CG1 3.29Å; L65-I69 PolarHBondContact O-N 3.46Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.29Å; I69-N72 PolarHBondContact O-N 2.96Å; I69-N73 VanDerWaalsContact O-CG 3.29Å; I69-N73 PolarHBondContact O-N 3.24Å; I69-N73 PolarHBondContact O-OD1 3.02Å |
| 70 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.2 | -178.3 | 61.2 | 0 | 0 | 0 | 111.8 | N45 L48 A49 S66 G67 L68 N73 L74 I89 L111 | N45-L70 HydrophobicContact CB-CD1 3.71Å; L48-L70 HydrophobicContact CB-CB 4.16Å; L48-L70 HydrophobicContact CD1-CB 4.25Å; A49-L70 HydrophobicContact CB-CD2 3.91Å; S66-L70 WeakPolarHBondContact O-CB 3.36Å; S66-L70 PolarHBondContact O-N 3.38Å; G67-L70 PolarHBondContact O-N 2.93Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L70-N73 PolarHBondContact O-N 2.87Å; L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CG-CD1 4.29Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.05Å; L70-I89 HydrophobicContact CD1-CD1 3.97Å; L70-I89 HydrophobicContact CD2-CD1 4.25Å; L70-I89 HydrophobicContact CD2-CG1 4.28Å; L70-I89 HydrophobicContact CD2-CG2 4.22Å; L70-L111 HydrophobicContact CB-CD2 4.15Å; L70-L111 HydrophobicContact CD2-CD1 4.05Å; L70-L111 HydrophobicContact CD2-CD2 4.07Å; L70-L111 HydrophobicContact CG-CD2 3.87Å |
| 71 | K | 94.6 | Very high | 92 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 175.3 | 170.3 | -123.6 | 130.2 | -172.5 | 0 | 110.9 | G67 L68 I69 N73 L74 K75 I110 L111 T114 | G67-K71 WeakPolarHBondContact O-CB 3.39Å; G67-K71 PolarHBondContact O-N 3.39Å; L68-K71 WeakPolarHBondContact O-CB 3.36Å; L68-K71 PolarHBondContact O-N 3.01Å; I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.29Å; K71-N73 VanDerWaalsContact C-N 3.34Å; K71-N73 PolarHBondContact O-N 3.44Å; K71-L74 PolarHBondContact O-N 3.35Å; K71-K75 PolarHBondContact O-N 3.46Å; K71-I110 HydrophobicContact CB-CG2 4.29Å; K71-I110 HydrophobicContact CD-CG2 3.84Å; K71-I110 HydrophobicContact CG-CG2 3.7Å; K71-L111 HydrophobicContact CB-CD2 3.84Å; K71-T114 HydrophobicContact CG-CG2 4.29Å; K71-T114 WeakPolarHBondContact CG-OG1 3.34Å |
| 72 | N | 91.2 | Very high | 91.8 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 178.8 | -69.6 | -11.4 | 0 | 0 | 0 | 111.3 | L68 I69 L74 K75 S76 | L68-N72 PolarHBondContact O-N 2.78Å; I69-N72 PolarHBondContact O-N 2.96Å; N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 2.93Å; N72-K75 PolarHBondContact O-N 3.3Å; N72-S76 PolarHBondContact O-N 3Å; N72-S76 PolarHBondContact O-OG 3.02Å |
| 73 | N | 92.1 | Very high | 91.7 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 176.4 | -71.3 | -2.7 | 0 | 0 | 0 | 112.6 | N39 N45 I69 L70 K71 H77 | N39-N73 VanDerWaalsContact CG-OD1 3.31Å; N39-N73 PolarHBondContact ND2-OD1 2.96Å; N39-N73 VanDerWaalsContact OD1-CG 3.25Å; N39-N73 PolarHBondContact OD1-ND2 2.95Å; N39-N73 PolarHBondContact OD1-OD1 2.85Å; N39-N73 VanDerWaalsContact OD1-OD1 3.07Å; N45-N73 PolarHBondContact OD1-ND2 3.34Å; I69-N73 VanDerWaalsContact O-CG 3.29Å; I69-N73 PolarHBondContact O-N 3.24Å; I69-N73 PolarHBondContact O-OD1 3.02Å; L70-N73 PolarHBondContact O-N 2.87Å; K71-N73 VanDerWaalsContact C-N 3.34Å; K71-N73 PolarHBondContact O-N 3.44Å; N73-H77 WeakPolarHBondContact O-CB 3.45Å; N73-H77 PolarHBondContact O-N 3.01Å |
| 74 | L | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.8 | -49 | 175.3 | -69.5 | 177.4 | 0 | 0 | 0 | 111.3 | L70 K71 N72 S76 H77 F78 I86 I89 L111 T114 I115 | L70-L74 HydrophobicContact CD1-CG 4.35Å; L70-L74 HydrophobicContact CG-CD1 4.29Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.05Å; K71-L74 PolarHBondContact O-N 3.35Å; N72-L74 VanDerWaalsContact C-N 3.33Å; N72-L74 PolarHBondContact O-N 2.93Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.27Å; L74-H77 PolarHBondContact O-N 3.11Å; L74-F78 HydrophobicContact CB-CD2 4.42Å; L74-F78 HydrophobicContact CD2-CD2 4.24Å; L74-F78 WeakPolarHBondContact O-CA 3.31Å; L74-F78 VanDerWaalsContact O-CB 3.24Å; L74-F78 WeakPolarHBondContact O-CB 3.24Å; L74-F78 PolarHBondContact O-N 3.31Å; L74-I86 HydrophobicContact CD2-CD1 3.81Å; L74-I89 HydrophobicContact CD1-CD1 4.31Å; L74-I89 HydrophobicContact CD2-CD1 4.15Å; L74-L111 HydrophobicContact CD1-CD2 3.96Å; L74-T114 HydrophobicContact CB-CG2 3.98Å; L74-I115 HydrophobicContact CD1-CD1 4.42Å; L74-I115 HydrophobicContact CD1-CG1 4.04Å |
| 75 | K | 89.4 | Confident | 91.2 | Very high | 120 Ų | 120 | 62 Ų | 62 | 52% | 0.522 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.3 | -44 | 178.1 | -169.4 | 176.9 | -179 | 180 | 0 | 110.8 | K71 N72 T114 D351 | K71-K75 PolarHBondContact O-N 3.46Å; N72-K75 PolarHBondContact O-N 3.3Å; K75-T114 HydrophobicContact CB-CG2 4.45Å; K75-D351 IonicContact NZ-OD2 3.51Å; K75-D351 PolarHBondContact NZ-OD2 2.89Å |
| 76 | S | 87.6 | Confident | 91.2 | Very high | 85 Ų | 85 | 60.6 Ų | 60.6 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -80.7 | -30.4 | -177.8 | -55.4 | 0 | 0 | 0 | 0 | 114.8 | N72 L74 | N72-S76 PolarHBondContact O-N 3Å; N72-S76 PolarHBondContact O-OG 3.02Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 3.27Å |
| 77 | H | 87.4 | Confident | 91.1 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -133.7 | 19.6 | -166.6 | -55.9 | -42.1 | 0 | 0 | 0 | 115.1 | N73 L74 K79 R80 C81 | N73-H77 WeakPolarHBondContact O-CB 3.45Å; N73-H77 PolarHBondContact O-N 3.01Å; L74-H77 PolarHBondContact O-N 3.11Å; H77-K79 VanDerWaalsContact C-N 3.33Å; H77-K79 PolarHBondContact O-N 2.88Å; H77-K79 VanDerWaalsContact O-N 3.16Å; H77-R80 PolarHBondContact O-N 3.14Å; H77-C81 PolarHBondContact O-N 2.93Å; H77-C81 PolarHBondContact O-SG 3.36Å |
| 78 | F | 89.4 | Confident | 91 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -47.4 | -50.2 | -175 | -164.1 | -93.8 | 0 | 0 | 0 | 113.8 | L74 R80 C81 I86 I115 S118 D119 | L74-F78 HydrophobicContact CB-CD2 4.42Å; L74-F78 HydrophobicContact CD2-CD2 4.24Å; L74-F78 WeakPolarHBondContact O-CA 3.31Å; L74-F78 VanDerWaalsContact O-CB 3.24Å; L74-F78 WeakPolarHBondContact O-CB 3.24Å; L74-F78 PolarHBondContact O-N 3.31Å; F78-R80 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact O-N 3.12Å; F78-C81 VanDerWaalsContact O-CB 3.28Å; F78-C81 WeakPolarHBondContact O-CB 3.38Å; F78-C81 PolarHBondContact O-N 3.49Å; F78-I86 HydrophobicContact CD2-CD1 4.32Å; F78-I86 HydrophobicContact CE2-CD1 3.76Å; F78-I86 HydrophobicContact CZ-CD1 4.06Å; F78-I86 HydrophobicContact CZ-CG1 4.34Å; F78-I86 HydrophobicContact CZ-CG2 4.29Å; F78-I115 HydrophobicContact CE2-CB 4.35Å; F78-I115 HydrophobicContact CE2-CG1 4.18Å; F78-I115 HydrophobicContact CE2-CG2 4.16Å; F78-I115 HydrophobicContact CZ-CG2 4.2Å; F78-S118 VanDerWaalsContact CD2-CB 3.44Å; F78-D119 HydrophobicContact CE1-CB 3.51Å; F78-D119 HydrophobicContact CZ-CB 3.55Å |
| 79 | K | 87.3 | Confident | 91 | Very high | 208 Ų | 208 | 63.3 Ų | 63.3 | 90% | 0.904 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -63.1 | -20.2 | -177.6 | -65.6 | -179.3 | -179.1 | 172.7 | 0 | 114.5 | H77 | H77-K79 VanDerWaalsContact C-N 3.33Å; H77-K79 PolarHBondContact O-N 2.88Å; H77-K79 VanDerWaalsContact O-N 3.16Å |
| 80 | R | 86.3 | Confident | 91.1 | Very high | 210 Ų | 210 | 63.3 Ų | 63.3 | 79% | 0.792 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -90.8 | -10.9 | 177.9 | -63.4 | -179.2 | -178.5 | 172.8 | 1.5 | 112.3 | H77 F78 | H77-R80 PolarHBondContact O-N 3.14Å; F78-R80 PolarHBondContact O-N 3.48Å; F78-R80 VanDerWaalsContact O-N 3.12Å |
| 81 | C | 88.2 | Confident | 91.1 | Very high | 19 Ų | 19 | 67.2 Ų | 67.2 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -73.7 | 130.6 | -177.6 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | H77 F78 L85 I86 | H77-C81 PolarHBondContact O-N 2.93Å; H77-C81 PolarHBondContact O-SG 3.36Å; F78-C81 VanDerWaalsContact O-CB 3.28Å; F78-C81 WeakPolarHBondContact O-CB 3.38Å; F78-C81 PolarHBondContact O-N 3.49Å; C81-L85 HydrophobicContact CB-CD2 4.17Å; C81-I86 HydrophobicContact CB-CD1 3.65Å; C81-I86 HydrophobicContact CB-CG1 3.99Å |
| 82 | P | 89.6 | Confident | 91.1 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | trans | -59.8 | 142.1 | 174.6 | -23.9 | 33.6 | 0 | 0 | 0 | 111.8 | E84 L85 I86 | P82-E84 WeakPolarHBondContact CB-OE2 3.43Å; P82-E84 PolarHBondContact O-N 3.35Å; P82-E84 VanDerWaalsContact O-N 3.14Å; P82-L85 HydrophobicContact CB-CB 4.46Å; P82-L85 WeakPolarHBondContact O-CB 3.47Å; P82-L85 PolarHBondContact O-N 2.9Å; P82-I86 PolarHBondContact O-N 2.98Å | ||
| 83 | P | 89.9 | Confident | 91.4 | Very high | 100 Ų | 100 | 61.2 Ų | 61.2 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.2 | -33.3 | 177.9 | -26.9 | 35.2 | 0 | 0 | 0 | 113.7 | L85 I86 S87 | P83-L85 VanDerWaalsContact C-N 3.34Å; P83-L85 PolarHBondContact O-N 3.19Å; P83-I86 PolarHBondContact O-N 3.11Å; P83-S87 WeakPolarHBondContact O-CB 3.19Å; P83-S87 PolarHBondContact O-N 3.41Å |
| 84 | E | 90.7 | Very high | 91.6 | Very high | 137 Ų | 137 | 62.1 Ų | 62.1 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 177.4 | -56.9 | 84.4 | 177 | 0 | 0 | 112.5 | P82 Y88 | P82-E84 WeakPolarHBondContact CB-OE2 3.43Å; P82-E84 PolarHBondContact O-N 3.35Å; P82-E84 VanDerWaalsContact O-N 3.14Å; E84-Y88 WeakPolarHBondContact O-CB 3.4Å; E84-Y88 PolarHBondContact O-N 2.86Å |
| 85 | L | 91.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 174.1 | 169.1 | 64.8 | 0 | 0 | 0 | 110.2 | N45 K46 C81 P82 P83 S87 Y88 I89 | N45-L85 HydrophobicContact CB-CD1 3.88Å; N45-L85 HydrophobicContact CB-CD2 3.74Å; N45-L85 HydrophobicContact CB-CG 4.41Å; K46-L85 HydrophobicContact CB-CD1 4.42Å; K46-L85 HydrophobicContact CG-CD1 3.48Å; K46-L85 VanDerWaalsContact CG-CD1 3.48Å; C81-L85 HydrophobicContact CB-CD2 4.17Å; P82-L85 HydrophobicContact CB-CB 4.46Å; P82-L85 WeakPolarHBondContact O-CB 3.47Å; P82-L85 PolarHBondContact O-N 2.9Å; P83-L85 VanDerWaalsContact C-N 3.34Å; P83-L85 PolarHBondContact O-N 3.19Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 2.91Å; L85-Y88 WeakPolarHBondContact O-CB 3.28Å; L85-Y88 PolarHBondContact O-N 2.96Å; L85-Y88 VanDerWaalsContact O-N 3.16Å; L85-I89 HydrophobicContact CD1-CD1 3.84Å; L85-I89 HydrophobicContact CD1-CG1 4.15Å; L85-I89 HydrophobicContact CG-CD1 3.91Å; L85-I89 WeakPolarHBondContact O-CG1 3.29Å; L85-I89 PolarHBondContact O-N 3.28Å |
| 86 | I | 93.4 | Very high | 91.9 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 178.2 | -60.4 | -55.9 | 0 | 0 | 0 | 110.2 | L74 F78 C81 P82 P83 Y88 I89 K90 | L74-I86 HydrophobicContact CD2-CD1 3.81Å; F78-I86 HydrophobicContact CD2-CD1 4.32Å; F78-I86 HydrophobicContact CE2-CD1 3.76Å; F78-I86 HydrophobicContact CZ-CD1 4.06Å; F78-I86 HydrophobicContact CZ-CG1 4.34Å; F78-I86 HydrophobicContact CZ-CG2 4.29Å; C81-I86 HydrophobicContact CB-CD1 3.65Å; C81-I86 HydrophobicContact CB-CG1 3.99Å; P82-I86 PolarHBondContact O-N 2.98Å; P83-I86 PolarHBondContact O-N 3.11Å; I86-Y88 VanDerWaalsContact C-N 3.33Å; I86-Y88 PolarHBondContact O-N 3.28Å; I86-I89 PolarHBondContact O-N 2.94Å; I86-K90 HydrophobicContact CG2-CD 4.04Å; I86-K90 HydrophobicContact CG2-CG 4.24Å; I86-K90 WeakPolarHBondContact O-CB 3.2Å; I86-K90 VanDerWaalsContact O-CG 3.26Å; I86-K90 WeakPolarHBondContact O-CG 3.38Å; I86-K90 PolarHBondContact O-N 2.94Å |
| 87 | S | 93.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | P83 L85 K90 D91 | P83-S87 WeakPolarHBondContact O-CB 3.19Å; P83-S87 PolarHBondContact O-N 3.41Å; L85-S87 VanDerWaalsContact C-N 3.32Å; L85-S87 PolarHBondContact O-N 2.91Å; S87-K90 PolarHBondContact O-N 3.13Å; S87-D91 PolarHBondContact O-N 3.29Å |
| 88 | Y | 93.3 | Very high | 92.6 | Very high | 46 Ų | 46 | 55.9 Ų | 55.9 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 175.3 | -178.6 | -102 | 0 | 0 | 0 | 112.5 | W3 K46 A49 E84 L85 I86 G92 | W3-Y88 HydrophobicContact CE3-CE1 4.41Å; W3-Y88 HydrophobicContact CE3-CE2 4.11Å; W3-Y88 AromaticContact CE3-CZ 3.89Å; W3-Y88 HydrophobicContact CZ3-CE1 4.16Å; W3-Y88 HydrophobicContact CZ3-CE2 4.42Å; W3-Y88 AromaticContact CZ3-CZ 3.75Å; W3-Y88 WeakPolarHBondContact CZ3-OH 3.43Å; K46-Y88 HydrophobicContact CB-CD1 4.43Å; K46-Y88 HydrophobicContact CB-CE1 4.33Å; K46-Y88 HydrophobicContact CG-CD1 4.43Å; A49-Y88 HydrophobicContact CB-CD1 4.1Å; A49-Y88 HydrophobicContact CB-CE1 3.88Å; E84-Y88 WeakPolarHBondContact O-CB 3.4Å; E84-Y88 PolarHBondContact O-N 2.86Å; L85-Y88 WeakPolarHBondContact O-CB 3.28Å; L85-Y88 PolarHBondContact O-N 2.96Å; L85-Y88 VanDerWaalsContact O-N 3.16Å; I86-Y88 VanDerWaalsContact C-N 3.33Å; I86-Y88 PolarHBondContact O-N 3.28Å; Y88-G92 PolarHBondContact O-N 3.06Å |
| 89 | I | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 176.7 | -61.8 | 164.5 | 0 | 0 | 0 | 110.3 | A49 L70 L74 L85 I86 D91 G92 C93 I115 | A49-I89 HydrophobicContact CB-CG1 3.96Å; L70-I89 HydrophobicContact CD1-CD1 3.97Å; L70-I89 HydrophobicContact CD2-CD1 4.25Å; L70-I89 HydrophobicContact CD2-CG1 4.28Å; L70-I89 HydrophobicContact CD2-CG2 4.22Å; L74-I89 HydrophobicContact CD1-CD1 4.31Å; L74-I89 HydrophobicContact CD2-CD1 4.15Å; L85-I89 HydrophobicContact CD1-CD1 3.84Å; L85-I89 HydrophobicContact CD1-CG1 4.15Å; L85-I89 HydrophobicContact CG-CD1 3.91Å; L85-I89 WeakPolarHBondContact O-CG1 3.29Å; L85-I89 PolarHBondContact O-N 3.28Å; I86-I89 PolarHBondContact O-N 2.94Å; I89-D91 PolarHBondContact O-N 3.45Å; I89-G92 PolarHBondContact O-N 3.23Å; I89-C93 WeakPolarHBondContact O-CB 3.28Å; I89-C93 PolarHBondContact O-N 3.37Å; I89-C93 PolarHBondContact O-SG 3.08Å; I89-C93 VanDerWaalsContact O-SG 3.36Å; I89-I115 HydrophobicContact CG2-CD1 3.88Å |
| 90 | K | 96.2 | Very high | 93.1 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.3 | -50.1 | 176.8 | -74.1 | -178 | 171.4 | 175.8 | 0 | 111.3 | I86 S87 L94 I115 D119 N123 W124 | I86-K90 HydrophobicContact CG2-CD 4.04Å; I86-K90 HydrophobicContact CG2-CG 4.24Å; I86-K90 WeakPolarHBondContact O-CB 3.2Å; I86-K90 VanDerWaalsContact O-CG 3.26Å; I86-K90 WeakPolarHBondContact O-CG 3.38Å; I86-K90 PolarHBondContact O-N 2.94Å; S87-K90 PolarHBondContact O-N 3.13Å; K90-L94 WeakPolarHBondContact O-CG 3.29Å; K90-L94 PolarHBondContact O-N 2.75Å; K90-L94 VanDerWaalsContact O-N 3.12Å; K90-I115 HydrophobicContact CG-CD1 4.33Å; K90-D119 IonicContact NZ-OD2 2.8Å; K90-N123 PolarHBondContact NZ-O 2.96Å; K90-W124 VanDerWaalsContact CA-CZ2 3.49Å; K90-W124 HydrophobicContact CB-CD2 4.43Å; K90-W124 HydrophobicContact CB-CH2 3.93Å; K90-W124 HydrophobicContact CB-CZ2 3.36Å; K90-W124 HydrophobicContact CD-CD2 3.6Å; K90-W124 HydrophobicContact CD-CE3 4.09Å; K90-W124 HydrophobicContact CD-CG 3.82Å; K90-W124 HydrophobicContact CD-CZ2 4.15Å; K90-W124 HydrophobicContact CG-CD2 3.74Å; K90-W124 VanDerWaalsContact CG-CE2 3.45Å; K90-W124 HydrophobicContact CG-CE3 3.94Å; K90-W124 HydrophobicContact CG-CG 4.47Å; K90-W124 HydrophobicContact CG-CH2 3.65Å; K90-W124 HydrophobicContact CG-CZ2 3.43Å; K90-W124 VanDerWaalsContact CG-CZ2 3.43Å; K90-W124 HydrophobicContact CG-CZ3 3.89Å |
| 91 | D | 95.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.6 | 176.2 | 79.2 | 0 | 0 | 0 | 112.5 | S87 I89 C93 L94 R95 | S87-D91 PolarHBondContact O-N 3.29Å; I89-D91 PolarHBondContact O-N 3.45Å; D91-C93 PolarHBondContact O-N 3.47Å; D91-L94 PolarHBondContact O-N 3.34Å; D91-R95 PolarHBondContact O-N 2.84Å; D91-R95 IonicContact OD1-NE 2.65Å; D91-R95 IonicContact OD2-CZ 3.91Å; D91-R95 IonicContact OD2-NE 2.98Å; D91-R95 PolarHBondContact OD2-NE 3.49Å; D91-R95 IonicContact OD2-NH2 3.98Å; D91-R95 PolarHBondContact OD2-NH2 3.5Å |
| 92 | G | 94.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | T53 Y88 I89 R95 C96 | T53-G92 VanDerWaalsContact CG2-C 3.49Å; T53-G92 WeakPolarHBondContact CG2-O 3.25Å; Y88-G92 PolarHBondContact O-N 3.06Å; I89-G92 PolarHBondContact O-N 3.23Å; G92-R95 PolarHBondContact O-N 2.89Å; G92-C96 WeakPolarHBondContact O-CB 3.37Å; G92-C96 PolarHBondContact O-N 3.49Å |
| 93 | C | 96.7 | Very high | 94 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.1 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | I89 D91 R95 C96 I97 V108 I112 | I89-C93 WeakPolarHBondContact O-CB 3.28Å; I89-C93 PolarHBondContact O-N 3.37Å; I89-C93 PolarHBondContact O-SG 3.08Å; I89-C93 VanDerWaalsContact O-SG 3.36Å; D91-C93 PolarHBondContact O-N 3.47Å; C93-R95 VanDerWaalsContact C-N 3.31Å; C93-R95 PolarHBondContact O-N 3.22Å; C93-C96 CarbonylContact O-C 3.33Å; C93-C96 PolarHBondContact O-N 3.44Å; C93-C96 VanDerWaalsContact O-N 3.13Å; C93-I97 PolarHBondContact O-N 3.18Å; C93-V108 HydrophobicContact CB-CG1 3.92Å; C93-V108 VanDerWaalsContact O-CG1 3.29Å; C93-V108 WeakPolarHBondContact O-CG1 3.34Å; C93-I112 HydrophobicContact CB-CD1 4.29Å; C93-I112 HydrophobicContact CB-CG1 3.93Å |
| 94 | L | 95.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 179.7 | -69.1 | 177.7 | 0 | 0 | 0 | 112.8 | K90 D91 I97 W124 E126 L127 K130 | K90-L94 WeakPolarHBondContact O-CG 3.29Å; K90-L94 PolarHBondContact O-N 2.75Å; K90-L94 VanDerWaalsContact O-N 3.12Å; D91-L94 PolarHBondContact O-N 3.34Å; L94-I97 VanDerWaalsContact O-CG2 3.3Å; L94-I97 WeakPolarHBondContact O-CG2 3.46Å; L94-W124 HydrophobicContact CD1-CZ2 4.12Å; L94-W124 HydrophobicContact CD2-CZ2 4.39Å; L94-W124 HydrophobicContact CG-CZ2 4.01Å; L94-E126 HydrophobicContact CD1-CG 4.28Å; L94-L127 HydrophobicContact CD2-CD1 3.87Å; L94-K130 HydrophobicContact CD1-CG 4.45Å; L94-K130 HydrophobicContact CD2-CB 4.26Å; L94-K130 HydrophobicContact CD2-CG 4.13Å |
| 95 | R | 93 | Very high | 94.5 | Very high | 114 Ų | 114 | 34.5 Ų | 34.5 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -72.3 | -33.4 | 172.9 | -74.7 | -169.1 | -71.9 | 110.6 | 1.6 | 112.9 | N54 D91 G92 C93 | N54-R95 PolarHBondContact OD1-NH1 3.2Å; N54-R95 VanDerWaalsContact OD1-NH1 3.16Å; D91-R95 PolarHBondContact O-N 2.84Å; D91-R95 IonicContact OD1-NE 2.65Å; D91-R95 IonicContact OD2-CZ 3.91Å; D91-R95 IonicContact OD2-NE 2.98Å; D91-R95 PolarHBondContact OD2-NE 3.49Å; D91-R95 IonicContact OD2-NH2 3.98Å; D91-R95 PolarHBondContact OD2-NH2 3.5Å; G92-R95 PolarHBondContact O-N 2.89Å; C93-R95 VanDerWaalsContact C-N 3.31Å; C93-R95 PolarHBondContact O-N 3.22Å |
| 96 | C | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.4 | -0.9 | -175.4 | -160.4 | 0 | 0 | 0 | 0 | 113.3 | T53 G92 C93 S98 D99 I104 V108 | T53-C96 HydrophobicContact CG2-CB 3.92Å; G92-C96 WeakPolarHBondContact O-CB 3.37Å; G92-C96 PolarHBondContact O-N 3.49Å; C93-C96 CarbonylContact O-C 3.33Å; C93-C96 PolarHBondContact O-N 3.44Å; C93-C96 VanDerWaalsContact O-N 3.13Å; C96-S98 PolarHBondContact O-N 3.1Å; C96-D99 WeakPolarHBondContact O-CB 3.35Å; C96-D99 PolarHBondContact O-N 2.89Å; C96-D99 VanDerWaalsContact O-N 3.12Å; C96-I104 VanDerWaalsContact SG-CG2 3.56Å; C96-V108 HydrophobicContact CB-CG2 3.9Å |
| 97 | I | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.7 | -178 | -159.6 | 64.3 | 0 | 0 | 0 | 112.7 | C93 L94 R105 V108 I112 L131 F142 G145 A149 | C93-I97 PolarHBondContact O-N 3.18Å; L94-I97 VanDerWaalsContact O-CG2 3.3Å; L94-I97 WeakPolarHBondContact O-CG2 3.46Å; I97-R105 VanDerWaalsContact O-CD 3.28Å; I97-R105 WeakPolarHBondContact O-CD 3.32Å; I97-R105 WeakPolarHBondContact O-CG 3.31Å; I97-V108 HydrophobicContact CD1-CG1 3.76Å; I97-I112 HydrophobicContact CD1-CD1 3.85Å; I97-L131 HydrophobicContact CD1-CD2 4.28Å; I97-L131 HydrophobicContact CG1-CD2 4.16Å; I97-F142 HydrophobicContact CG2-CD1 4.47Å; I97-G145 VanDerWaalsContact CD1-O 3.3Å; I97-G145 WeakPolarHBondContact CD1-O 3.47Å; I97-G145 WeakPolarHBondContact O-CA 3.42Å; I97-A149 HydrophobicContact CD1-CB 4.01Å |
| 98 | S | 94.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 19% | 0.189 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 20.2 | -180 | 58.7 | 0 | 0 | 0 | 0 | 114.1 | C96 N141 F142 | C96-S98 PolarHBondContact O-N 3.1Å; S98-N141 WeakPolarHBondContact O-CB 3.32Å; S98-F142 WeakPolarHBondContact OG-CE1 3.26Å; S98-F142 VanDerWaalsContact OG-CE2 3.27Å; S98-F142 WeakPolarHBondContact OG-CE2 3.49Å; S98-F142 WeakPolarHBondContact OG-CZ 3.39Å |
| 99 | D | 95.4 | Very high | 95.3 | Very high | 25 Ų | 25 | 31 Ų | 31 | 13% | 0.134 | 17% | 0.172 | C | C | . | . | trans | -52.1 | 142.9 | 176.6 | -165.6 | -73.4 | 0 | 0 | 0 | 110.9 | R63 C96 S101 I104 R105 | R63-D99 IonicContact CZ-OD2 3.47Å; R63-D99 VanDerWaalsContact CZ-OD2 3.31Å; R63-D99 IonicContact NH1-OD1 2.75Å; R63-D99 IonicContact NH1-OD2 3.89Å; R63-D99 PolarHBondContact NH1-OD2 3.1Å; R63-D99 IonicContact NH2-OD2 3.27Å; R63-D99 PolarHBondContact NH2-OD2 3.13Å; C96-D99 WeakPolarHBondContact O-CB 3.35Å; C96-D99 PolarHBondContact O-N 2.89Å; C96-D99 VanDerWaalsContact O-N 3.12Å; D99-S101 PolarHBondContact O-N 3.49Å; D99-S101 WeakPolarHBondContact OD1-CB 3.17Å; D99-S101 PolarHBondContact OD1-N 3.26Å; D99-I104 HydrophobicContact CB-CB 4.09Å; D99-I104 HydrophobicContact CB-CG2 3.79Å; D99-R105 HydrophobicContact CB-CG 4.29Å; D99-R105 WeakPolarHBondContact O-CD 3.44Å; D99-R105 WeakPolarHBondContact O-CG 3.43Å; D99-R105 PolarHBondContact O-NH1 3.18Å | ||
| 100 | S | 93.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 68% | 0.678 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -61.3 | -28.2 | 179.1 | 47.7 | 0 | 0 | 0 | 0 | 113.1 | P102 R105 | S100-P102 WeakPolarHBondContact O-CD 3.47Å; S100-R105 PolarHBondContact O-NH1 2.97Å |
| 101 | S | 94.5 | Very high | 95.4 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | trans | -83.8 | 120 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | D60 D99 M103 I104 R105 | D60-S101 WeakPolarHBondContact OD2-CB 3.05Å; D60-S101 PolarHBondContact OD2-OG 3.37Å; D99-S101 PolarHBondContact O-N 3.49Å; D99-S101 WeakPolarHBondContact OD1-CB 3.17Å; D99-S101 PolarHBondContact OD1-N 3.26Å; S101-M103 PolarHBondContact O-N 3.1Å; S101-I104 PolarHBondContact O-N 2.86Å; S101-I104 VanDerWaalsContact O-N 3.16Å; S101-R105 PolarHBondContact O-N 3.16Å; S101-R105 VanDerWaalsContact O-N 3.09Å | ||
| 102 | P | 93.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 28.5 Ų | 28.5 | 47% | 0.474 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.6 | -33.1 | 174.3 | -22 | 32.7 | 0 | 0 | 0 | 112.9 | S100 R105 S106 | S100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-R105 PolarHBondContact O-N 2.98Å; P102-S106 PolarHBondContact O-N 3.1Å |
| 103 | M | 94.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 28.5 Ų | 28.5 | 46% | 0.458 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 177.9 | -162.6 | -171.6 | -179.3 | 0 | 0 | 110.6 | S64 S101 S106 I107 | S64-M103 VanDerWaalsContact CB-CE 3.5Å; S64-M103 VanDerWaalsContact OG-CG 3.23Å; S64-M103 WeakPolarHBondContact OG-CG 3.38Å; S64-M103 PolarHBondContact OG-SD 3.29Å; S64-M103 VanDerWaalsContact OG-SD 3.36Å; S101-M103 PolarHBondContact O-N 3.1Å; M103-S106 PolarHBondContact O-N 3.19Å; M103-I107 WeakPolarHBondContact O-CG1 3.49Å; M103-I107 PolarHBondContact O-N 3.28Å; M103-I107 VanDerWaalsContact O-N 3.12Å |
| 104 | I | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 178.1 | -58.7 | -64.1 | 0 | 0 | 0 | 111.3 | L52 R63 S64 C96 D99 S101 S106 I107 V108 | L52-I104 HydrophobicContact CD1-CD1 4.14Å; L52-I104 HydrophobicContact CD1-CG2 4.1Å; R63-I104 HydrophobicContact CB-CD1 3.39Å; S64-I104 WeakPolarHBondContact OG-CD1 3.27Å; C96-I104 VanDerWaalsContact SG-CG2 3.56Å; D99-I104 HydrophobicContact CB-CB 4.09Å; D99-I104 HydrophobicContact CB-CG2 3.79Å; S101-I104 PolarHBondContact O-N 2.86Å; S101-I104 VanDerWaalsContact O-N 3.16Å; I104-S106 VanDerWaalsContact C-N 3.26Å; I104-S106 PolarHBondContact O-N 3.36Å; I104-I107 PolarHBondContact O-N 3.34Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 VanDerWaalsContact O-CG2 3.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 2.97Å |
| 105 | R | 96.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 28 Ų | 28 | 5% | 0.049 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 175.3 | -64.7 | -163.7 | -59.4 | -88.4 | 9.7 | 111.9 | I97 D99 S100 S101 P102 V108 G109 N141 E144 | I97-R105 VanDerWaalsContact O-CD 3.28Å; I97-R105 WeakPolarHBondContact O-CD 3.32Å; I97-R105 WeakPolarHBondContact O-CG 3.31Å; D99-R105 HydrophobicContact CB-CG 4.29Å; D99-R105 WeakPolarHBondContact O-CD 3.44Å; D99-R105 WeakPolarHBondContact O-CG 3.43Å; D99-R105 PolarHBondContact O-NH1 3.18Å; S100-R105 PolarHBondContact O-NH1 2.97Å; S101-R105 PolarHBondContact O-N 3.16Å; S101-R105 VanDerWaalsContact O-N 3.09Å; P102-R105 PolarHBondContact O-N 2.98Å; R105-V108 PolarHBondContact O-N 2.71Å; R105-G109 PolarHBondContact O-N 3.22Å; R105-N141 VanDerWaalsContact CD-O 3.3Å; R105-N141 WeakPolarHBondContact CD-O 3.46Å; R105-N141 PolarHBondContact NH1-OD1 3.39Å; R105-E144 IonicContact CZ-OE2 3.98Å; R105-E144 IonicContact NH2-OE2 2.91Å; R105-E144 PolarHBondContact NH2-OE2 3.46Å |
| 106 | S | 95.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 22.6 Ų | 22.6 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | P102 M103 I104 V108 G109 I110 | P102-S106 PolarHBondContact O-N 3.1Å; M103-S106 PolarHBondContact O-N 3.19Å; I104-S106 VanDerWaalsContact C-N 3.26Å; I104-S106 PolarHBondContact O-N 3.36Å; S106-V108 VanDerWaalsContact C-N 3.35Å; S106-V108 PolarHBondContact O-N 3.36Å; S106-G109 WeakPolarHBondContact O-CA 3.22Å; S106-G109 PolarHBondContact O-N 2.98Å; S106-G109 VanDerWaalsContact O-N 3.14Å; S106-I110 WeakPolarHBondContact O-CG1 3.27Å; S106-I110 PolarHBondContact O-N 3.42Å |
| 107 | I | 96.7 | Very high | 95.7 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.9 | -64.4 | -51.1 | 0 | 0 | 0 | 112.1 | L52 L68 M103 I104 G109 I110 L111 | L52-I107 HydrophobicContact CD1-CG2 4.06Å; L52-I107 HydrophobicContact CD2-CG2 4.34Å; L68-I107 HydrophobicContact CD1-CD1 4.28Å; L68-I107 HydrophobicContact CD2-CD1 3.54Å; L68-I107 HydrophobicContact CG-CD1 3.69Å; M103-I107 WeakPolarHBondContact O-CG1 3.49Å; M103-I107 PolarHBondContact O-N 3.28Å; M103-I107 VanDerWaalsContact O-N 3.12Å; I104-I107 PolarHBondContact O-N 3.34Å; I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.86Å; I107-I110 HydrophobicContact CD1-CD1 4.04Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 2.87Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 PolarHBondContact O-N 3.38Å |
| 108 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 173.8 | 169 | 0 | 0 | 0 | 0 | 110.6 | L52 C93 C96 I97 I104 R105 S106 L111 I112 | L52-V108 HydrophobicContact CD2-CG2 4.36Å; C93-V108 HydrophobicContact CB-CG1 3.92Å; C93-V108 VanDerWaalsContact O-CG1 3.29Å; C93-V108 WeakPolarHBondContact O-CG1 3.34Å; C96-V108 HydrophobicContact CB-CG2 3.9Å; I97-V108 HydrophobicContact CD1-CG1 3.76Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 VanDerWaalsContact O-CG2 3.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 2.97Å; R105-V108 PolarHBondContact O-N 2.71Å; S106-V108 VanDerWaalsContact C-N 3.35Å; S106-V108 PolarHBondContact O-N 3.36Å; V108-L111 PolarHBondContact O-N 3.47Å; V108-I112 HydrophobicContact CG1-CD1 3.94Å; V108-I112 VanDerWaalsContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.05Å; V108-I112 PolarHBondContact O-N 2.85Å |
| 109 | G | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R105 S106 I107 L111 I112 T113 | R105-G109 PolarHBondContact O-N 3.22Å; S106-G109 WeakPolarHBondContact O-CA 3.22Å; S106-G109 PolarHBondContact O-N 2.98Å; S106-G109 VanDerWaalsContact O-N 3.14Å; I107-G109 VanDerWaalsContact C-N 3.32Å; I107-G109 PolarHBondContact O-N 2.86Å; G109-L111 PolarHBondContact O-N 3.35Å; G109-I112 PolarHBondContact O-N 3.06Å; G109-T113 PolarHBondContact O-N 2.92Å; G109-T113 PolarHBondContact O-OG1 2.89Å |
| 110 | I | 96.7 | Very high | 95.4 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 176.3 | -69.3 | 171.1 | 0 | 0 | 0 | 111.4 | K71 S106 I107 T113 T114 K152 | K71-I110 HydrophobicContact CB-CG2 4.29Å; K71-I110 HydrophobicContact CD-CG2 3.84Å; K71-I110 HydrophobicContact CG-CG2 3.7Å; S106-I110 WeakPolarHBondContact O-CG1 3.27Å; S106-I110 PolarHBondContact O-N 3.42Å; I107-I110 HydrophobicContact CD1-CD1 4.04Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 2.87Å; I110-T113 PolarHBondContact O-N 2.9Å; I110-T114 WeakPolarHBondContact O-CB 3.36Å; I110-T114 PolarHBondContact O-N 3.49Å; I110-T114 PolarHBondContact O-OG1 3.3Å; I110-K152 HydrophobicContact CG1-CD 4.04Å |
| 111 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 178 | -78.3 | 169.5 | 0 | 0 | 0 | 112.3 | L52 L70 K71 L74 I107 V108 G109 T114 I115 | L52-L111 HydrophobicContact CD2-CD1 3.29Å; L70-L111 HydrophobicContact CB-CD2 4.15Å; L70-L111 HydrophobicContact CD2-CD1 4.05Å; L70-L111 HydrophobicContact CD2-CD2 4.07Å; L70-L111 HydrophobicContact CG-CD2 3.87Å; K71-L111 HydrophobicContact CB-CD2 3.84Å; L74-L111 HydrophobicContact CD1-CD2 3.96Å; I107-L111 HydrophobicContact CG2-CD1 4.4Å; I107-L111 PolarHBondContact O-N 3.38Å; V108-L111 PolarHBondContact O-N 3.47Å; G109-L111 PolarHBondContact O-N 3.35Å; L111-T114 PolarHBondContact O-N 2.93Å; L111-I115 VanDerWaalsContact O-CG1 3.31Å; L111-I115 WeakPolarHBondContact O-CG1 3.27Å; L111-I115 PolarHBondContact O-N 3.42Å |
| 112 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 175.1 | -73.3 | 168.3 | 0 | 0 | 0 | 109.7 | C93 I97 V108 G109 T114 I115 V116 W124 L127 A149 I153 | C93-I112 HydrophobicContact CB-CD1 4.29Å; C93-I112 HydrophobicContact CB-CG1 3.93Å; I97-I112 HydrophobicContact CD1-CD1 3.85Å; V108-I112 HydrophobicContact CG1-CD1 3.94Å; V108-I112 VanDerWaalsContact O-CG1 3.31Å; V108-I112 WeakPolarHBondContact O-CG1 3.05Å; V108-I112 PolarHBondContact O-N 2.85Å; G109-I112 PolarHBondContact O-N 3.06Å; I112-T114 PolarHBondContact O-N 3.34Å; I112-I115 PolarHBondContact O-N 3Å; I112-V116 WeakPolarHBondContact O-CG2 3.21Å; I112-V116 PolarHBondContact O-N 3.19Å; I112-W124 HydrophobicContact CB-CZ3 4.41Å; I112-W124 HydrophobicContact CG1-CH2 3.92Å; I112-W124 HydrophobicContact CG1-CZ3 4.3Å; I112-W124 HydrophobicContact CG2-CZ3 4.19Å; I112-L127 HydrophobicContact CG2-CD1 3.76Å; I112-L127 HydrophobicContact CG2-CD2 3.85Å; I112-L127 HydrophobicContact CG2-CG 4.4Å; I112-A149 HydrophobicContact CD1-CB 4Å; I112-I153 HydrophobicContact CG2-CD1 3.88Å; I112-I153 HydrophobicContact CG2-CG1 4.42Å |
| 113 | T | 96 | Very high | 95.2 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | -179.6 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | G109 I110 I115 V116 T117 K152 D156 | G109-T113 PolarHBondContact O-N 2.92Å; G109-T113 PolarHBondContact O-OG1 2.89Å; I110-T113 PolarHBondContact O-N 2.9Å; T113-I115 VanDerWaalsContact C-N 3.28Å; T113-I115 PolarHBondContact O-N 3.21Å; T113-V116 PolarHBondContact O-N 3.46Å; T113-T117 PolarHBondContact O-N 3.34Å; T113-T117 PolarHBondContact O-OG1 3.43Å; T113-T117 VanDerWaalsContact O-OG1 3.05Å; T113-K152 HydrophobicContact CG2-CB 4.15Å; T113-K152 WeakPolarHBondContact CG2-O 3.41Å; T113-K152 WeakPolarHBondContact OG1-CB 3.23Å; T113-D156 HydrophobicContact CG2-CB 3.67Å; T113-D156 WeakPolarHBondContact CG2-OD2 3.41Å |
| 114 | T | 96.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 25.1 Ų | 25.1 | 11% | 0.11 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -42.1 | 175.1 | -58.7 | 0 | 0 | 0 | 0 | 112 | K71 L74 K75 I110 L111 I112 S118 | K71-T114 HydrophobicContact CG-CG2 4.29Å; K71-T114 WeakPolarHBondContact CG-OG1 3.34Å; L74-T114 HydrophobicContact CB-CG2 3.98Å; K75-T114 HydrophobicContact CB-CG2 4.45Å; I110-T114 WeakPolarHBondContact O-CB 3.36Å; I110-T114 PolarHBondContact O-N 3.49Å; I110-T114 PolarHBondContact O-OG1 3.3Å; L111-T114 PolarHBondContact O-N 2.93Å; I112-T114 PolarHBondContact O-N 3.34Å; T114-S118 VanDerWaalsContact O-CB 3.31Å; T114-S118 WeakPolarHBondContact O-CB 3.42Å; T114-S118 PolarHBondContact O-N 3.27Å; T114-S118 VanDerWaalsContact O-N 3.12Å; T114-S118 PolarHBondContact O-OG 3.47Å |
| 115 | I | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.9 | -43.1 | 176.1 | -65.7 | 167 | 0 | 0 | 0 | 110.6 | L74 F78 I89 K90 L111 I112 T113 S118 D119 W124 | L74-I115 HydrophobicContact CD1-CD1 4.42Å; L74-I115 HydrophobicContact CD1-CG1 4.04Å; F78-I115 HydrophobicContact CE2-CB 4.35Å; F78-I115 HydrophobicContact CE2-CG1 4.18Å; F78-I115 HydrophobicContact CE2-CG2 4.16Å; F78-I115 HydrophobicContact CZ-CG2 4.2Å; I89-I115 HydrophobicContact CG2-CD1 3.88Å; K90-I115 HydrophobicContact CG-CD1 4.33Å; L111-I115 VanDerWaalsContact O-CG1 3.31Å; L111-I115 WeakPolarHBondContact O-CG1 3.27Å; L111-I115 PolarHBondContact O-N 3.42Å; I112-I115 PolarHBondContact O-N 3Å; T113-I115 VanDerWaalsContact C-N 3.28Å; T113-I115 PolarHBondContact O-N 3.21Å; I115-S118 PolarHBondContact O-N 3.19Å; I115-D119 WeakPolarHBondContact O-CB 3.47Å; I115-D119 PolarHBondContact O-N 2.89Å; I115-W124 HydrophobicContact CB-CE3 4.3Å; I115-W124 HydrophobicContact CB-CZ3 3.98Å; I115-W124 HydrophobicContact CD1-CH2 4.32Å; I115-W124 HydrophobicContact CD1-CZ3 3.95Å; I115-W124 HydrophobicContact CG2-CE3 3.75Å; I115-W124 HydrophobicContact CG2-CZ3 3.87Å |
| 116 | V | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | I112 T113 S118 G120 I121 W124 L127 I153 Q160 | I112-V116 WeakPolarHBondContact O-CG2 3.21Å; I112-V116 PolarHBondContact O-N 3.19Å; T113-V116 PolarHBondContact O-N 3.46Å; V116-S118 VanDerWaalsContact C-N 3.28Å; V116-S118 PolarHBondContact O-N 2.88Å; V116-G120 WeakPolarHBondContact O-CA 3.35Å; V116-G120 PolarHBondContact O-N 3.41Å; V116-I121 HydrophobicContact CG1-CB 3.97Å; V116-I121 HydrophobicContact CG1-CG1 4.44Å; V116-W124 HydrophobicContact CG2-CE3 4.45Å; V116-L127 HydrophobicContact CG2-CD2 3.5Å; V116-I153 HydrophobicContact CG1-CG2 4.36Å; V116-I153 HydrophobicContact CG2-CG1 4.5Å; V116-Q160 PolarHBondContact O-NE2 3.33Å |
| 117 | T | 94.5 | Very high | 95 | Very high | 78 Ų | 78 | 31.1 Ų | 31.1 | 48% | 0.479 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.6 | -32.9 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | T113 | T113-T117 PolarHBondContact O-N 3.34Å; T113-T117 PolarHBondContact O-OG1 3.43Å; T113-T117 VanDerWaalsContact O-OG1 3.05Å |
| 118 | S | 93.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -84.3 | -37.5 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 114.9 | F78 T114 I115 V116 | F78-S118 VanDerWaalsContact CD2-CB 3.44Å; T114-S118 VanDerWaalsContact O-CB 3.31Å; T114-S118 WeakPolarHBondContact O-CB 3.42Å; T114-S118 PolarHBondContact O-N 3.27Å; T114-S118 VanDerWaalsContact O-N 3.12Å; T114-S118 PolarHBondContact O-OG 3.47Å; I115-S118 PolarHBondContact O-N 3.19Å; V116-S118 VanDerWaalsContact C-N 3.28Å; V116-S118 PolarHBondContact O-N 2.88Å |
| 119 | D | 92.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 35.4 Ų | 35.4 | 27% | 0.273 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -111.4 | -17.9 | -172.5 | -156.5 | 15.2 | 0 | 0 | 0 | 113.2 | F78 K90 I115 N123 | F78-D119 HydrophobicContact CE1-CB 3.51Å; F78-D119 HydrophobicContact CZ-CB 3.55Å; K90-D119 IonicContact NZ-OD2 2.8Å; I115-D119 WeakPolarHBondContact O-CB 3.47Å; I115-D119 PolarHBondContact O-N 2.89Å; D119-N123 HydrophobicContact CB-CB 4.49Å; D119-N123 PolarHBondContact O-ND2 3.38Å; D119-N123 PolarHBondContact OD1-ND2 3.08Å; D119-N123 WeakPolarHBondContact OD2-CB 3.48Å |
| 120 | G | 92.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | trans | 81 | 145.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.3 | V116 Q122 N123 | V116-G120 WeakPolarHBondContact O-CA 3.35Å; V116-G120 PolarHBondContact O-N 3.41Å; G120-Q122 PolarHBondContact O-N 2.99Å; G120-N123 PolarHBondContact O-N 2.86Å; G120-N123 VanDerWaalsContact O-N 3.16Å | ||
| 121 | I | 92.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65 | -28.1 | -176.4 | -160.2 | 169.5 | 0 | 0 | 0 | 112.8 | V116 N123 W124 L128 I153 Q160 L161 I166 | V116-I121 HydrophobicContact CG1-CB 3.97Å; V116-I121 HydrophobicContact CG1-CG1 4.44Å; I121-N123 PolarHBondContact O-N 3.41Å; I121-W124 CarbonylContact O-C 3.45Å; I121-W124 PolarHBondContact O-N 3.33Å; I121-L128 HydrophobicContact CD1-CD1 3.65Å; I121-L128 HydrophobicContact CD1-CD2 4.05Å; I121-L128 HydrophobicContact CD1-CG 3.77Å; I121-I153 HydrophobicContact CD1-CG2 4.26Å; I121-Q160 HydrophobicContact CG2-CB 3.82Å; I121-L161 HydrophobicContact CD1-CD2 3.53Å; I121-I166 HydrophobicContact CG2-CD1 3.37Å |
| 122 | Q | 91.2 | Very high | 94.6 | Very high | 102 Ų | 102 | 38 Ų | 38 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -61.8 | -25.3 | 176.7 | 67.6 | -79 | -1.6 | 0 | 0 | 113.3 | G120 W124 I166 | G120-Q122 PolarHBondContact O-N 2.99Å; Q122-W124 VanDerWaalsContact C-N 3.25Å; Q122-I166 HydrophobicContact CB-CG2 3.76Å |
| 123 | N | 92.3 | Very high | 94.6 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -87.7 | 5.2 | 177.7 | -69.5 | -14.9 | 0 | 0 | 0 | 112.1 | K90 D119 G120 I121 | K90-N123 PolarHBondContact NZ-O 2.96Å; D119-N123 HydrophobicContact CB-CB 4.49Å; D119-N123 PolarHBondContact O-ND2 3.38Å; D119-N123 PolarHBondContact OD1-ND2 3.08Å; D119-N123 WeakPolarHBondContact OD2-CB 3.48Å; G120-N123 PolarHBondContact O-N 2.86Å; G120-N123 VanDerWaalsContact O-N 3.16Å; I121-N123 PolarHBondContact O-N 3.41Å |
| 124 | W | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | trans | -135.8 | 62.8 | 174.5 | -161 | -5.9 | 0 | 0 | 0 | 111.6 | K90 L94 I112 I115 V116 I121 Q122 E126 L127 | K90-W124 VanDerWaalsContact CA-CZ2 3.49Å; K90-W124 HydrophobicContact CB-CD2 4.43Å; K90-W124 HydrophobicContact CB-CH2 3.93Å; K90-W124 HydrophobicContact CB-CZ2 3.36Å; K90-W124 HydrophobicContact CD-CD2 3.6Å; K90-W124 HydrophobicContact CD-CE3 4.09Å; K90-W124 HydrophobicContact CD-CG 3.82Å; K90-W124 HydrophobicContact CD-CZ2 4.15Å; K90-W124 HydrophobicContact CG-CD2 3.74Å; K90-W124 VanDerWaalsContact CG-CE2 3.45Å; K90-W124 HydrophobicContact CG-CE3 3.94Å; K90-W124 HydrophobicContact CG-CG 4.47Å; K90-W124 HydrophobicContact CG-CH2 3.65Å; K90-W124 HydrophobicContact CG-CZ2 3.43Å; K90-W124 VanDerWaalsContact CG-CZ2 3.43Å; K90-W124 HydrophobicContact CG-CZ3 3.89Å; L94-W124 HydrophobicContact CD1-CZ2 4.12Å; L94-W124 HydrophobicContact CD2-CZ2 4.39Å; L94-W124 HydrophobicContact CG-CZ2 4.01Å; I112-W124 HydrophobicContact CB-CZ3 4.41Å; I112-W124 HydrophobicContact CG1-CH2 3.92Å; I112-W124 HydrophobicContact CG1-CZ3 4.3Å; I112-W124 HydrophobicContact CG2-CZ3 4.19Å; I115-W124 HydrophobicContact CB-CE3 4.3Å; I115-W124 HydrophobicContact CB-CZ3 3.98Å; I115-W124 HydrophobicContact CD1-CH2 4.32Å; I115-W124 HydrophobicContact CD1-CZ3 3.95Å; I115-W124 HydrophobicContact CG2-CE3 3.75Å; I115-W124 HydrophobicContact CG2-CZ3 3.87Å; V116-W124 HydrophobicContact CG2-CE3 4.45Å; I121-W124 CarbonylContact O-C 3.45Å; I121-W124 PolarHBondContact O-N 3.33Å; Q122-W124 VanDerWaalsContact C-N 3.25Å; W124-E126 PolarHBondContact NE1-OE1 3.2Å; W124-E126 VanDerWaalsContact NE1-OE1 3.15Å; W124-E126 PolarHBondContact O-N 2.95Å; W124-E126 VanDerWaalsContact O-N 3.17Å; W124-L127 HydrophobicContact CB-CB 4.26Å; W124-L127 HydrophobicContact CD2-CB 3.87Å; W124-L127 HydrophobicContact CD2-CD1 4.25Å; W124-L127 HydrophobicContact CD2-CD2 4.04Å; W124-L127 HydrophobicContact CD2-CG 4.27Å; W124-L127 HydrophobicContact CE3-CB 4.49Å; W124-L127 HydrophobicContact CE3-CD1 4.35Å; W124-L127 HydrophobicContact CE3-CD2 3.81Å; W124-L127 HydrophobicContact CE3-CG 4.45Å; W124-L127 HydrophobicContact CG-CB 3.74Å; W124-L127 HydrophobicContact CG-CD2 4.45Å; W124-L127 HydrophobicContact CH2-CD1 4.12Å; W124-L127 HydrophobicContact CZ2-CD1 4Å; W124-L127 HydrophobicContact CZ3-CD1 4.29Å; W124-L127 HydrophobicContact CZ3-CD2 4.27Å; W124-L127 VanDerWaalsContact O-CB 3.25Å; W124-L127 WeakPolarHBondContact O-CB 3.28Å; W124-L127 PolarHBondContact O-N 3.31Å | ||
| 125 | P | 92.2 | Very high | 94.5 | Very high | 95 Ų | 95 | 42.6 Ų | 42.6 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.5 | -170.5 | 26.6 | -36 | 0 | 0 | 0 | 114.6 | L127 P129 | P125-L127 VanDerWaalsContact C-N 3.33Å; P125-P129 VanDerWaalsContact O-CD 3.23Å; P125-P129 WeakPolarHBondContact O-CD 3.43Å; P125-P129 WeakPolarHBondContact O-CG 3.43Å |
| 126 | E | 94.5 | Very high | 94.3 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.6 | 177.2 | 68.2 | -85.6 | -163.3 | 0 | 0 | 114.2 | L94 W124 K130 | L94-E126 HydrophobicContact CD1-CG 4.28Å; W124-E126 PolarHBondContact NE1-OE1 3.2Å; W124-E126 VanDerWaalsContact NE1-OE1 3.15Å; W124-E126 PolarHBondContact O-N 2.95Å; W124-E126 VanDerWaalsContact O-N 3.17Å; E126-K130 VanDerWaalsContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CB 3.09Å; E126-K130 PolarHBondContact O-N 3.47Å; E126-K130 VanDerWaalsContact O-N 3.13Å |
| 127 | L | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -65 | -173.5 | 179 | 60.7 | 0 | 0 | 0 | 112.4 | L94 I112 V116 W124 P125 K130 L131 I153 | L94-L127 HydrophobicContact CD2-CD1 3.87Å; I112-L127 HydrophobicContact CG2-CD1 3.76Å; I112-L127 HydrophobicContact CG2-CD2 3.85Å; I112-L127 HydrophobicContact CG2-CG 4.4Å; V116-L127 HydrophobicContact CG2-CD2 3.5Å; W124-L127 HydrophobicContact CB-CB 4.26Å; W124-L127 HydrophobicContact CD2-CB 3.87Å; W124-L127 HydrophobicContact CD2-CD1 4.25Å; W124-L127 HydrophobicContact CD2-CD2 4.04Å; W124-L127 HydrophobicContact CD2-CG 4.27Å; W124-L127 HydrophobicContact CE3-CB 4.49Å; W124-L127 HydrophobicContact CE3-CD1 4.35Å; W124-L127 HydrophobicContact CE3-CD2 3.81Å; W124-L127 HydrophobicContact CE3-CG 4.45Å; W124-L127 HydrophobicContact CG-CB 3.74Å; W124-L127 HydrophobicContact CG-CD2 4.45Å; W124-L127 HydrophobicContact CH2-CD1 4.12Å; W124-L127 HydrophobicContact CZ2-CD1 4Å; W124-L127 HydrophobicContact CZ3-CD1 4.29Å; W124-L127 HydrophobicContact CZ3-CD2 4.27Å; W124-L127 VanDerWaalsContact O-CB 3.25Å; W124-L127 WeakPolarHBondContact O-CB 3.28Å; W124-L127 PolarHBondContact O-N 3.31Å; P125-L127 VanDerWaalsContact C-N 3.33Å; L127-K130 PolarHBondContact O-N 2.7Å; L127-K130 VanDerWaalsContact O-N 3.13Å; L127-L131 HydrophobicContact CD1-CD1 3.71Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CG-CD1 3.96Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 2.77Å; L127-I153 HydrophobicContact CD2-CD1 3.98Å |
| 128 | L | 95.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -46 | -176.5 | -68.5 | 179.7 | 0 | 0 | 0 | 112.7 | I121 K130 L131 V132 L161 P169 L173 | I121-L128 HydrophobicContact CD1-CD1 3.65Å; I121-L128 HydrophobicContact CD1-CD2 4.05Å; I121-L128 HydrophobicContact CD1-CG 3.77Å; L128-K130 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.11Å; L128-V132 WeakPolarHBondContact O-CB 3.43Å; L128-V132 VanDerWaalsContact O-CG2 3.26Å; L128-V132 WeakPolarHBondContact O-CG2 3.5Å; L128-V132 PolarHBondContact O-N 3.02Å; L128-L161 HydrophobicContact CD1-CD2 3.74Å; L128-L161 HydrophobicContact CD2-CD2 4.22Å; L128-P169 HydrophobicContact CD1-CB 3.61Å; L128-P169 HydrophobicContact CD1-CG 3.73Å; L128-L173 HydrophobicContact CD2-CD1 4.48Å |
| 129 | P | 94.6 | Very high | 93.8 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.7 | -40.6 | 174.6 | -27.2 | 35.9 | 0 | 0 | 0 | 112.9 | P125 E133 | P125-P129 VanDerWaalsContact O-CD 3.23Å; P125-P129 WeakPolarHBondContact O-CD 3.43Å; P125-P129 WeakPolarHBondContact O-CG 3.43Å; P129-E133 WeakPolarHBondContact O-CB 3.42Å; P129-E133 PolarHBondContact O-N 3.01Å |
| 130 | K | 96 | Very high | 93.8 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 179.6 | -168.8 | 68.9 | -162.6 | 165.5 | 0 | 112.4 | L94 E126 L127 L128 V132 E133 C134 | L94-K130 HydrophobicContact CD1-CG 4.45Å; L94-K130 HydrophobicContact CD2-CB 4.26Å; L94-K130 HydrophobicContact CD2-CG 4.13Å; E126-K130 VanDerWaalsContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CB 3.09Å; E126-K130 PolarHBondContact O-N 3.47Å; E126-K130 VanDerWaalsContact O-N 3.13Å; L127-K130 PolarHBondContact O-N 2.7Å; L127-K130 VanDerWaalsContact O-N 3.13Å; L128-K130 PolarHBondContact O-N 2.94Å; K130-V132 VanDerWaalsContact C-N 3.32Å; K130-V132 PolarHBondContact O-N 3.39Å; K130-E133 WeakPolarHBondContact CD-OE2 3.08Å; K130-E133 IonicContact NZ-OE1 3.06Å; K130-E133 PolarHBondContact NZ-OE1 2.69Å; K130-E133 IonicContact NZ-OE2 3.6Å; K130-E133 PolarHBondContact NZ-OE2 3.16Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.92Å; K130-C134 PolarHBondContact O-N 3.15Å; K130-C134 PolarHBondContact O-SG 2.95Å |
| 131 | L | 96.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.4 | -62.9 | 177.7 | 0 | 0 | 0 | 111.4 | I97 L127 L128 C134 I135 A146 A149 I150 I153 | I97-L131 HydrophobicContact CD1-CD2 4.28Å; I97-L131 HydrophobicContact CG1-CD2 4.16Å; L127-L131 HydrophobicContact CD1-CD1 3.71Å; L127-L131 HydrophobicContact CD1-CG 4.03Å; L127-L131 HydrophobicContact CG-CD1 3.96Å; L127-L131 WeakPolarHBondContact O-CG 3.28Å; L127-L131 PolarHBondContact O-N 2.77Å; L128-L131 PolarHBondContact O-N 3.11Å; L131-C134 WeakPolarHBondContact O-CB 3.31Å; L131-C134 PolarHBondContact O-N 3.4Å; L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 3.41Å; L131-A146 HydrophobicContact CB-CB 4.4Å; L131-A146 HydrophobicContact CD2-CB 4.2Å; L131-A149 HydrophobicContact CD1-CB 4.33Å; L131-A149 HydrophobicContact CD2-CB 4.33Å; L131-I150 HydrophobicContact CB-CD1 3.68Å; L131-I150 HydrophobicContact CB-CG1 4.02Å; L131-I150 HydrophobicContact CD1-CD1 4.39Å; L131-I150 HydrophobicContact CD1-CG1 3.77Å; L131-I153 HydrophobicContact CD1-CD1 4.09Å |
| 132 | V | 95.3 | Very high | 94 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 19% | 0.188 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L128 K130 C134 I135 D136 L173 K176 | L128-V132 WeakPolarHBondContact O-CB 3.43Å; L128-V132 VanDerWaalsContact O-CG2 3.26Å; L128-V132 WeakPolarHBondContact O-CG2 3.5Å; L128-V132 PolarHBondContact O-N 3.02Å; K130-V132 VanDerWaalsContact C-N 3.32Å; K130-V132 PolarHBondContact O-N 3.39Å; V132-C134 VanDerWaalsContact C-N 3.29Å; V132-C134 PolarHBondContact O-N 3.36Å; V132-I135 PolarHBondContact O-N 2.95Å; V132-D136 PolarHBondContact O-N 3.27Å; V132-L173 HydrophobicContact CG2-CD2 3.66Å; V132-K176 HydrophobicContact CG1-CD 4.05Å |
| 133 | E | 95.8 | Very high | 94.2 | Very high | 112 Ų | 112 | 55.9 Ų | 55.9 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 173.4 | -173.2 | -163 | 150 | 0 | 0 | 111.6 | P129 K130 D136 S137 | P129-E133 WeakPolarHBondContact O-CB 3.42Å; P129-E133 PolarHBondContact O-N 3.01Å; K130-E133 WeakPolarHBondContact CD-OE2 3.08Å; K130-E133 IonicContact NZ-OE1 3.06Å; K130-E133 PolarHBondContact NZ-OE1 2.69Å; K130-E133 IonicContact NZ-OE2 3.6Å; K130-E133 PolarHBondContact NZ-OE2 3.16Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 2.92Å; E133-D136 PolarHBondContact O-N 3.38Å; E133-S137 PolarHBondContact O-N 3.07Å |
| 134 | C | 95.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -38.2 | 176.6 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | K130 L131 V132 D136 S137 F142 A146 | K130-C134 PolarHBondContact O-N 3.15Å; K130-C134 PolarHBondContact O-SG 2.95Å; L131-C134 WeakPolarHBondContact O-CB 3.31Å; L131-C134 PolarHBondContact O-N 3.4Å; V132-C134 VanDerWaalsContact C-N 3.29Å; V132-C134 PolarHBondContact O-N 3.36Å; C134-D136 VanDerWaalsContact C-N 3.33Å; C134-S137 VanDerWaalsContact O-CB 3.23Å; C134-S137 WeakPolarHBondContact O-CB 3.37Å; C134-S137 PolarHBondContact O-N 2.96Å; C134-S137 PolarHBondContact O-OG 3.32Å; C134-F142 HydrophobicContact CB-CB 4.39Å; C134-F142 HydrophobicContact CB-CD1 4.11Å; C134-A146 HydrophobicContact CB-CB 3.58Å |
| 135 | I | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 172.9 | -71.9 | 177.3 | 0 | 0 | 0 | 111.4 | L131 V132 S137 A146 F147 I150 Y180 | L131-I135 WeakPolarHBondContact O-CG1 3.49Å; L131-I135 PolarHBondContact O-N 3.41Å; V132-I135 PolarHBondContact O-N 2.95Å; I135-S137 PolarHBondContact O-N 3.27Å; I135-A146 HydrophobicContact CG1-CB 3.81Å; I135-F147 HydrophobicContact CB-CE2 4.32Å; I135-F147 HydrophobicContact CD1-CD1 4.04Å; I135-F147 HydrophobicContact CD1-CD2 4.01Å; I135-F147 HydrophobicContact CD1-CE1 3.92Å; I135-F147 HydrophobicContact CD1-CE2 3.91Å; I135-F147 HydrophobicContact CD1-CG 4.08Å; I135-F147 HydrophobicContact CD1-CZ 3.84Å; I135-F147 HydrophobicContact CG1-CD2 3.85Å; I135-F147 HydrophobicContact CG1-CE2 3.84Å; I135-F147 HydrophobicContact CG1-CG 4.32Å; I135-F147 HydrophobicContact CG1-CZ 4.28Å; I135-F147 HydrophobicContact CG2-CD2 4.43Å; I135-F147 HydrophobicContact CG2-CE2 3.61Å; I135-F147 HydrophobicContact CG2-CZ 3.86Å; I135-I150 HydrophobicContact CD1-CD1 3.3Å; I135-I150 HydrophobicContact CG1-CD1 4.34Å; I135-Y180 HydrophobicContact CG2-CD1 4.44Å; I135-Y180 HydrophobicContact CG2-CD2 3.76Å; I135-Y180 HydrophobicContact CG2-CE1 4.01Å; I135-Y180 HydrophobicContact CG2-CE2 3.32Å; I135-Y180 HydrophobicContact CG2-CG 4.32Å; I135-Y180 VanDerWaalsContact CG2-CZ 3.42Å; I135-Y180 PolarHBondContact O-OH 3.3Å |
| 136 | D | 93.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.8 | 176.3 | -75.8 | -41.9 | 0 | 0 | 0 | 113.6 | V132 E133 C134 K176 Y180 | V132-D136 PolarHBondContact O-N 3.27Å; E133-D136 PolarHBondContact O-N 3.38Å; C134-D136 VanDerWaalsContact C-N 3.33Å; D136-K176 VanDerWaalsContact OD1-CE 3.26Å; D136-K176 WeakPolarHBondContact OD1-CE 3.39Å; D136-K176 IonicContact OD1-NZ 3.7Å; D136-K176 PolarHBondContact OD1-NZ 2.82Å; D136-K176 VanDerWaalsContact OD2-CE 3.25Å; D136-K176 WeakPolarHBondContact OD2-CE 3.42Å; D136-K176 IonicContact OD2-NZ 2.7Å; D136-K176 PolarHBondContact OD2-NZ 3.15Å; D136-Y180 PolarHBondContact OD1-OH 3.16Å |
| 137 | S | 91.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 44 Ų | 44 | 21% | 0.21 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -69.6 | 157.5 | 173.9 | 82.6 | 0 | 0 | 0 | 0 | 111.4 | E133 C134 I135 D139 F142 M143 | E133-S137 PolarHBondContact O-N 3.07Å; C134-S137 VanDerWaalsContact O-CB 3.23Å; C134-S137 WeakPolarHBondContact O-CB 3.37Å; C134-S137 PolarHBondContact O-N 2.96Å; C134-S137 PolarHBondContact O-OG 3.32Å; I135-S137 PolarHBondContact O-N 3.27Å; S137-D139 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact OG-N 3.18Å; S137-D139 PolarHBondContact OG-O 2.95Å; S137-F142 WeakPolarHBondContact OG-CB 3.27Å; S137-M143 VanDerWaalsContact O-SD 3.37Å |
| 138 | H | 87.3 | Confident | 94.8 | Very high | 194 Ų | 194 | 44.4 Ų | 44.4 | 90% | 0.898 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -90.4 | 7.5 | 170.8 | -62.2 | -56.3 | 0 | 0 | 0 | 112.7 | ||
| 139 | D | 93.5 | Very high | 94.9 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 39% | 0.385 | 23% | 0.227 | S | C | . | . | trans | -97 | 118.8 | -178.7 | -174.2 | -49.9 | 0 | 0 | 0 | 110 | S137 N141 F142 M143 | S137-D139 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact OG-N 3.18Å; S137-D139 PolarHBondContact OG-O 2.95Å; D139-N141 PolarHBondContact O-N 3.01Å; D139-N141 WeakPolarHBondContact OD1-CB 3.42Å; D139-N141 PolarHBondContact OD1-N 3.28Å; D139-F142 HydrophobicContact CB-CB 4.2Å; D139-F142 HydrophobicContact CB-CD2 3.72Å; D139-F142 HydrophobicContact CB-CG 4.38Å; D139-F142 WeakPolarHBondContact O-CB 3.4Å; D139-F142 PolarHBondContact O-N 2.96Å; D139-F142 VanDerWaalsContact O-N 3.16Å; D139-F142 PolarHBondContact OD1-N 3.41Å; D139-M143 WeakPolarHBondContact O-CG 3.49Å; D139-M143 PolarHBondContact O-N 2.9Å | ||
| 140 | V | 92.2 | Very high | 95 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 41% | 0.412 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.1 | -34.2 | -176.1 | 177.9 | 0 | 0 | 0 | 0 | 112.4 | M143 E144 | V140-M143 PolarHBondContact O-N 3.46Å; V140-E144 HydrophobicContact CG1-CG 4.16Å; V140-E144 WeakPolarHBondContact O-CB 3.42Å; V140-E144 WeakPolarHBondContact O-CG 3.43Å; V140-E144 PolarHBondContact O-N 2.93Å |
| 141 | N | 94.4 | Very high | 95.1 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 29% | 0.289 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -70.9 | -40.8 | 179.4 | -64.3 | -46.1 | 0 | 0 | 0 | 111.4 | S98 R105 D139 M143 G145 | S98-N141 WeakPolarHBondContact O-CB 3.32Å; R105-N141 VanDerWaalsContact CD-O 3.3Å; R105-N141 WeakPolarHBondContact CD-O 3.46Å; R105-N141 PolarHBondContact NH1-OD1 3.39Å; D139-N141 PolarHBondContact O-N 3.01Å; D139-N141 WeakPolarHBondContact OD1-CB 3.42Å; D139-N141 PolarHBondContact OD1-N 3.28Å; N141-M143 VanDerWaalsContact C-N 3.35Å; N141-G145 PolarHBondContact O-N 3.31Å |
| 142 | F | 95.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | 173.5 | -85.9 | -88.6 | 0 | 0 | 0 | 111.2 | I97 S98 C134 S137 D139 A146 | I97-F142 HydrophobicContact CG2-CD1 4.47Å; S98-F142 WeakPolarHBondContact OG-CE1 3.26Å; S98-F142 VanDerWaalsContact OG-CE2 3.27Å; S98-F142 WeakPolarHBondContact OG-CE2 3.49Å; S98-F142 WeakPolarHBondContact OG-CZ 3.39Å; C134-F142 HydrophobicContact CB-CB 4.39Å; C134-F142 HydrophobicContact CB-CD1 4.11Å; S137-F142 WeakPolarHBondContact OG-CB 3.27Å; D139-F142 HydrophobicContact CB-CB 4.2Å; D139-F142 HydrophobicContact CB-CD2 3.72Å; D139-F142 HydrophobicContact CB-CG 4.38Å; D139-F142 WeakPolarHBondContact O-CB 3.4Å; D139-F142 PolarHBondContact O-N 2.96Å; D139-F142 VanDerWaalsContact O-N 3.16Å; D139-F142 PolarHBondContact OD1-N 3.41Å; F142-A146 VanDerWaalsContact O-CB 3.23Å; F142-A146 WeakPolarHBondContact O-CB 3.35Å; F142-A146 PolarHBondContact O-N 3.49Å |
| 143 | M | 96.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -52.2 | 179 | -65.2 | 178.6 | 71.2 | 0 | 0 | 111.7 | S137 D139 V140 N141 G145 A146 F147 Y180 I188 | S137-M143 VanDerWaalsContact O-SD 3.37Å; D139-M143 WeakPolarHBondContact O-CG 3.49Å; D139-M143 PolarHBondContact O-N 2.9Å; V140-M143 PolarHBondContact O-N 3.46Å; N141-M143 VanDerWaalsContact C-N 3.35Å; M143-G145 PolarHBondContact O-N 2.99Å; M143-A146 PolarHBondContact O-N 2.8Å; M143-F147 WeakPolarHBondContact O-CB 3.37Å; M143-F147 WeakPolarHBondContact O-CD2 3.49Å; M143-F147 PolarHBondContact O-N 3.05Å; M143-Y180 HydrophobicContact CE-CD1 3.71Å; M143-Y180 HydrophobicContact CE-CE1 3.41Å; M143-Y180 VanDerWaalsContact CE-CE1 3.41Å; M143-I188 HydrophobicContact CB-CD1 3.71Å; M143-I188 HydrophobicContact CE-CD1 4.39Å; M143-I188 HydrophobicContact CE-CG1 4.26Å; M143-I188 HydrophobicContact CE-CG2 4.03Å |
| 144 | E | 95.4 | Very high | 95.1 | Very high | 23 Ų | 23 | 33 Ų | 33 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | -179.1 | -77.7 | -171.1 | -163 | 0 | 0 | 112 | R105 V140 G148 K187 I188 | R105-E144 IonicContact CZ-OE2 3.98Å; R105-E144 IonicContact NH2-OE2 2.91Å; R105-E144 PolarHBondContact NH2-OE2 3.46Å; V140-E144 HydrophobicContact CG1-CG 4.16Å; V140-E144 WeakPolarHBondContact O-CB 3.42Å; V140-E144 WeakPolarHBondContact O-CG 3.43Å; V140-E144 PolarHBondContact O-N 2.93Å; E144-G148 PolarHBondContact O-N 3.23Å; E144-K187 VanDerWaalsContact CD-CD 3.49Å; E144-K187 HydrophobicContact CG-CD 4.44Å; E144-K187 WeakPolarHBondContact OE1-CD 3.4Å; E144-K187 IonicContact OE1-NZ 2.67Å; E144-K187 IonicContact OE2-NZ 2.77Å; E144-K187 PolarHBondContact OE2-NZ 3.28Å; E144-I188 HydrophobicContact CG-CD1 3.88Å |
| 145 | G | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I97 N141 M143 G148 A149 | I97-G145 VanDerWaalsContact CD1-O 3.3Å; I97-G145 WeakPolarHBondContact CD1-O 3.47Å; I97-G145 WeakPolarHBondContact O-CA 3.42Å; N141-G145 PolarHBondContact O-N 3.31Å; M143-G145 PolarHBondContact O-N 2.99Å; G145-G148 PolarHBondContact O-N 3.25Å; G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.25Å |
| 146 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -43.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L131 C134 I135 F142 M143 A149 I150 | L131-A146 HydrophobicContact CB-CB 4.4Å; L131-A146 HydrophobicContact CD2-CB 4.2Å; C134-A146 HydrophobicContact CB-CB 3.58Å; I135-A146 HydrophobicContact CG1-CB 3.81Å; F142-A146 VanDerWaalsContact O-CB 3.23Å; F142-A146 WeakPolarHBondContact O-CB 3.35Å; F142-A146 PolarHBondContact O-N 3.49Å; M143-A146 PolarHBondContact O-N 2.8Å; A146-A149 PolarHBondContact O-N 3.47Å; A146-I150 WeakPolarHBondContact O-CB 3.1Å; A146-I150 WeakPolarHBondContact O-CG1 3.42Å; A146-I150 PolarHBondContact O-N 2.8Å |
| 147 | F | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 173.9 | -95.5 | -65.9 | 0 | 0 | 0 | 112.1 | I135 M143 A149 I150 E151 F177 Y180 I188 H191 A192 | I135-F147 HydrophobicContact CB-CE2 4.32Å; I135-F147 HydrophobicContact CD1-CD1 4.04Å; I135-F147 HydrophobicContact CD1-CD2 4.01Å; I135-F147 HydrophobicContact CD1-CE1 3.92Å; I135-F147 HydrophobicContact CD1-CE2 3.91Å; I135-F147 HydrophobicContact CD1-CG 4.08Å; I135-F147 HydrophobicContact CD1-CZ 3.84Å; I135-F147 HydrophobicContact CG1-CD2 3.85Å; I135-F147 HydrophobicContact CG1-CE2 3.84Å; I135-F147 HydrophobicContact CG1-CG 4.32Å; I135-F147 HydrophobicContact CG1-CZ 4.28Å; I135-F147 HydrophobicContact CG2-CD2 4.43Å; I135-F147 HydrophobicContact CG2-CE2 3.61Å; I135-F147 HydrophobicContact CG2-CZ 3.86Å; M143-F147 WeakPolarHBondContact O-CB 3.37Å; M143-F147 WeakPolarHBondContact O-CD2 3.49Å; M143-F147 PolarHBondContact O-N 3.05Å; F147-A149 PolarHBondContact O-N 2.58Å; F147-I150 PolarHBondContact O-N 3.42Å; F147-I150 VanDerWaalsContact O-N 3.15Å; F147-E151 WeakPolarHBondContact O-CB 3.45Å; F147-E151 PolarHBondContact O-N 3.2Å; F147-F177 AromaticContact CE1-CD1 3.9Å; F147-F177 HydrophobicContact CE1-CD1 3.9Å; F147-F177 HydrophobicContact CE1-CE1 4.22Å; F147-Y180 HydrophobicContact CE2-CD1 4.15Å; F147-Y180 HydrophobicContact CE2-CD2 4.41Å; F147-Y180 AromaticContact CE2-CG 3.96Å; F147-Y180 HydrophobicContact CE2-CG 3.96Å; F147-Y180 HydrophobicContact CZ-CD1 4.36Å; F147-Y180 AromaticContact CZ-CD2 3.95Å; F147-Y180 HydrophobicContact CZ-CD2 3.95Å; F147-Y180 AromaticContact CZ-CG 3.7Å; F147-Y180 HydrophobicContact CZ-CG 3.7Å; F147-I188 HydrophobicContact CD2-CD1 3.9Å; F147-I188 HydrophobicContact CD2-CG2 4.1Å; F147-I188 HydrophobicContact CE2-CD1 4.49Å; F147-I188 HydrophobicContact CE2-CG2 3.69Å; F147-I188 HydrophobicContact CZ-CG2 4.36Å; F147-H191 HydrophobicContact CB-CB 3.64Å; F147-H191 HydrophobicContact CD1-CB 3.85Å; F147-H191 HydrophobicContact CG-CB 3.88Å; F147-A192 HydrophobicContact CE1-CB 4.04Å; F147-A192 HydrophobicContact CZ-CB 4.34Å |
| 148 | G | 96.2 | Very high | 95 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -23.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E144 G145 K152 | E144-G148 PolarHBondContact O-N 3.23Å; G145-G148 PolarHBondContact O-N 3.25Å; G148-K152 WeakPolarHBondContact O-CD 3.43Å; G148-K152 WeakPolarHBondContact O-CG 3.48Å; G148-K152 PolarHBondContact O-NZ 2.7Å |
| 149 | A | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -80.5 | -43.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I97 I112 L131 G145 A146 F147 K152 I153 | I97-A149 HydrophobicContact CD1-CB 4.01Å; I112-A149 HydrophobicContact CD1-CB 4Å; L131-A149 HydrophobicContact CD1-CB 4.33Å; L131-A149 HydrophobicContact CD2-CB 4.33Å; G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.25Å; A146-A149 PolarHBondContact O-N 3.47Å; F147-A149 PolarHBondContact O-N 2.58Å; A149-K152 PolarHBondContact O-N 2.88Å; A149-I153 VanDerWaalsContact O-CG1 3.3Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 3.24Å; A149-I153 VanDerWaalsContact O-N 3.11Å |
| 150 | I | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.3 | -74.2 | 165.3 | 0 | 0 | 0 | 111.2 | L131 I135 A146 F147 K152 I153 C154 F177 | L131-I150 HydrophobicContact CB-CD1 3.68Å; L131-I150 HydrophobicContact CB-CG1 4.02Å; L131-I150 HydrophobicContact CD1-CD1 4.39Å; L131-I150 HydrophobicContact CD1-CG1 3.77Å; I135-I150 HydrophobicContact CD1-CD1 3.3Å; I135-I150 HydrophobicContact CG1-CD1 4.34Å; A146-I150 WeakPolarHBondContact O-CB 3.1Å; A146-I150 WeakPolarHBondContact O-CG1 3.42Å; A146-I150 PolarHBondContact O-N 2.8Å; F147-I150 PolarHBondContact O-N 3.42Å; F147-I150 VanDerWaalsContact O-N 3.15Å; I150-K152 VanDerWaalsContact C-N 3.35Å; I150-K152 PolarHBondContact O-N 2.88Å; I150-I153 CarbonylContact O-C 3.58Å; I150-I153 WeakPolarHBondContact O-CB 3.36Å; I150-I153 PolarHBondContact O-N 3.39Å; I150-I153 VanDerWaalsContact O-N 3.08Å; I150-C154 PolarHBondContact O-N 3.14Å; I150-C154 PolarHBondContact O-SG 3.15Å; I150-F177 HydrophobicContact CG2-CE1 3.84Å; I150-F177 HydrophobicContact CG2-CZ 3.53Å |
| 151 | E | 97 | Very high | 95 | Very high | 34 Ų | 34 | 28.9 Ų | 28.9 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.9 | -50.3 | 177.4 | -177.4 | -176 | -178.9 | 0 | 0 | 111.4 | F147 I153 C154 E155 H191 A194 C195 | F147-E151 WeakPolarHBondContact O-CB 3.45Å; F147-E151 PolarHBondContact O-N 3.2Å; E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å; E151-C154 CarbonylContact O-C 3.56Å; E151-C154 WeakPolarHBondContact O-CA 3.35Å; E151-C154 VanDerWaalsContact O-CB 3.31Å; E151-C154 WeakPolarHBondContact O-CB 3.5Å; E151-C154 PolarHBondContact O-N 2.81Å; E151-E155 PolarHBondContact O-N 3.17Å; E151-H191 IonicContact OE2-CE1 2.9Å; E151-H191 PolarHBondContact OE2-CE1 3.31Å; E151-H191 IonicContact OE2-CG 3.6Å; E151-H191 IonicContact OE2-ND1 3.5Å; E151-H191 PolarHBondContact OE2-ND1 2.85Å; E151-A194 HydrophobicContact CG-CB 3.92Å; E151-A194 WeakPolarHBondContact OE1-CB 3.42Å; E151-C195 VanDerWaalsContact CA-SG 3.51Å |
| 152 | K | 96.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | 177 | -67.6 | 172.5 | -178.3 | 53.1 | 0 | 112.7 | I110 T113 G148 A149 I150 C154 E155 D156 | I110-K152 HydrophobicContact CG1-CD 4.04Å; T113-K152 HydrophobicContact CG2-CB 4.15Å; T113-K152 WeakPolarHBondContact CG2-O 3.41Å; T113-K152 WeakPolarHBondContact OG1-CB 3.23Å; G148-K152 WeakPolarHBondContact O-CD 3.43Å; G148-K152 WeakPolarHBondContact O-CG 3.48Å; G148-K152 PolarHBondContact O-NZ 2.7Å; A149-K152 PolarHBondContact O-N 2.88Å; I150-K152 VanDerWaalsContact C-N 3.35Å; I150-K152 PolarHBondContact O-N 2.88Å; K152-C154 VanDerWaalsContact C-N 3.33Å; K152-E155 PolarHBondContact O-N 3.15Å; K152-D156 PolarHBondContact O-N 3.3Å |
| 153 | I | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 173.9 | -63.5 | 164.6 | 0 | 0 | 0 | 110.4 | I112 V116 I121 L127 L131 A149 I150 E151 E155 S157 S158 L161 | I112-I153 HydrophobicContact CG2-CD1 3.88Å; I112-I153 HydrophobicContact CG2-CG1 4.42Å; V116-I153 HydrophobicContact CG1-CG2 4.36Å; V116-I153 HydrophobicContact CG2-CG1 4.5Å; I121-I153 HydrophobicContact CD1-CG2 4.26Å; L127-I153 HydrophobicContact CD2-CD1 3.98Å; L131-I153 HydrophobicContact CD1-CD1 4.09Å; A149-I153 VanDerWaalsContact O-CG1 3.3Å; A149-I153 WeakPolarHBondContact O-CG1 3.33Å; A149-I153 PolarHBondContact O-N 3.24Å; A149-I153 VanDerWaalsContact O-N 3.11Å; I150-I153 CarbonylContact O-C 3.58Å; I150-I153 WeakPolarHBondContact O-CB 3.36Å; I150-I153 PolarHBondContact O-N 3.39Å; I150-I153 VanDerWaalsContact O-N 3.08Å; E151-I153 VanDerWaalsContact C-N 3.31Å; E151-I153 PolarHBondContact O-N 3.29Å; I153-E155 VanDerWaalsContact C-N 3.35Å; I153-S157 CarbonylContact O-C 3.53Å; I153-S157 VanDerWaalsContact O-C 3.24Å; I153-S157 VanDerWaalsContact O-CA 3.24Å; I153-S157 WeakPolarHBondContact O-CA 3.47Å; I153-S157 VanDerWaalsContact O-CB 3.31Å; I153-S157 WeakPolarHBondContact O-CB 3.35Å; I153-S157 PolarHBondContact O-N 3.47Å; I153-S158 PolarHBondContact O-N 3.12Å; I153-L161 HydrophobicContact CG2-CD1 4.03Å; I153-L161 HydrophobicContact CG2-CD2 4.33Å; I153-L161 HydrophobicContact CG2-CG 4.34Å |
| 154 | C | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.9 | -40.1 | 175 | -65.3 | 0 | 0 | 0 | 0 | 111.3 | I150 E151 K152 S158 H198 F199 | I150-C154 PolarHBondContact O-N 3.14Å; I150-C154 PolarHBondContact O-SG 3.15Å; E151-C154 CarbonylContact O-C 3.56Å; E151-C154 WeakPolarHBondContact O-CA 3.35Å; E151-C154 VanDerWaalsContact O-CB 3.31Å; E151-C154 WeakPolarHBondContact O-CB 3.5Å; E151-C154 PolarHBondContact O-N 2.81Å; K152-C154 VanDerWaalsContact C-N 3.33Å; C154-S158 VanDerWaalsContact O-CB 3.27Å; C154-S158 WeakPolarHBondContact O-CB 3.44Å; C154-S158 PolarHBondContact O-N 3.34Å; C154-H198 HydrophobicContact CB-CB 4.07Å; C154-F199 HydrophobicContact CB-CE2 3.91Å; C154-F199 HydrophobicContact CB-CZ 4.31Å |
| 155 | E | 94.5 | Very high | 92.6 | Very high | 112 Ų | 112 | 44.1 Ų | 44.1 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -59.7 | 175.6 | -170.8 | 172.3 | -163.8 | 0 | 0 | 112.3 | E151 K152 I153 H198 | E151-E155 PolarHBondContact O-N 3.17Å; K152-E155 PolarHBondContact O-N 3.15Å; I153-E155 VanDerWaalsContact C-N 3.35Å; E155-H198 VanDerWaalsContact CB-CE1 3.45Å; E155-H198 WeakPolarHBondContact CB-CE1 3.49Å |
| 156 | D | 93 | Very high | 91.9 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -85.9 | -15.2 | -170.6 | -68.8 | -17.1 | 0 | 0 | 0 | 113.9 | T113 K152 | T113-D156 HydrophobicContact CG2-CB 3.67Å; T113-D156 WeakPolarHBondContact CG2-OD2 3.41Å; K152-D156 PolarHBondContact O-N 3.3Å |
| 157 | S | 93 | Very high | 91.4 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -147.1 | 27.7 | -166.4 | -75.3 | 0 | 0 | 0 | 0 | 114.2 | I153 S159 Q160 | I153-S157 CarbonylContact O-C 3.53Å; I153-S157 VanDerWaalsContact O-C 3.24Å; I153-S157 VanDerWaalsContact O-CA 3.24Å; I153-S157 WeakPolarHBondContact O-CA 3.47Å; I153-S157 VanDerWaalsContact O-CB 3.31Å; I153-S157 WeakPolarHBondContact O-CB 3.35Å; I153-S157 PolarHBondContact O-N 3.47Å; S157-S159 VanDerWaalsContact C-N 3.28Å; S157-S159 PolarHBondContact O-N 2.97Å; S157-Q160 WeakPolarHBondContact O-CB 3.32Å; S157-Q160 PolarHBondContact O-N 2.86Å; S157-Q160 PolarHBondContact OG-NE2 3.35Å |
| 158 | S | 91.8 | Very high | 90.9 | Very high | 24 Ų | 24 | 50.9 Ų | 50.9 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -45.7 | -47.2 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | I153 C154 Q160 L161 E162 | I153-S158 PolarHBondContact O-N 3.12Å; C154-S158 VanDerWaalsContact O-CB 3.27Å; C154-S158 WeakPolarHBondContact O-CB 3.44Å; C154-S158 PolarHBondContact O-N 3.34Å; S158-Q160 PolarHBondContact O-N 2.97Å; S158-L161 WeakPolarHBondContact O-CB 3.27Å; S158-L161 PolarHBondContact O-N 3.34Å; S158-E162 PolarHBondContact O-N 3.34Å |
| 159 | S | 89.5 | Confident | 90.7 | Very high | 88 Ų | 88 | 51.4 Ų | 51.4 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -30.7 | 180 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | S157 L161 E162 | S157-S159 VanDerWaalsContact C-N 3.28Å; S157-S159 PolarHBondContact O-N 2.97Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 3.08Å; S159-E162 PolarHBondContact O-N 3.3Å |
| 160 | Q | 91.7 | Very high | 90.5 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.1 | -24.8 | 176.5 | -56.7 | -165.7 | 52.6 | 0 | 0 | 112 | V116 I121 S157 S158 T163 I166 | V116-Q160 PolarHBondContact O-NE2 3.33Å; I121-Q160 HydrophobicContact CG2-CB 3.82Å; S157-Q160 WeakPolarHBondContact O-CB 3.32Å; S157-Q160 PolarHBondContact O-N 2.86Å; S157-Q160 PolarHBondContact OG-NE2 3.35Å; S158-Q160 PolarHBondContact O-N 2.97Å; Q160-T163 VanDerWaalsContact O-CG2 3.29Å; Q160-T163 WeakPolarHBondContact O-CG2 3.32Å; Q160-I166 VanDerWaalsContact O-CD1 3.22Å; Q160-I166 WeakPolarHBondContact O-CD1 3.39Å |
| 161 | L | 92.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -83.6 | -17.2 | 178.9 | -63.4 | 173.9 | 0 | 0 | 0 | 113.2 | I121 L128 I153 S158 S159 C168 P169 I170 F199 | I121-L161 HydrophobicContact CD1-CD2 3.53Å; L128-L161 HydrophobicContact CD1-CD2 3.74Å; L128-L161 HydrophobicContact CD2-CD2 4.22Å; I153-L161 HydrophobicContact CG2-CD1 4.03Å; I153-L161 HydrophobicContact CG2-CD2 4.33Å; I153-L161 HydrophobicContact CG2-CG 4.34Å; S158-L161 WeakPolarHBondContact O-CB 3.27Å; S158-L161 PolarHBondContact O-N 3.34Å; S159-L161 VanDerWaalsContact C-N 3.29Å; S159-L161 PolarHBondContact O-N 3.08Å; L161-C168 CarbonylContact O-C 3.5Å; L161-P169 HydrophobicContact CD2-CB 4.44Å; L161-P169 VanDerWaalsContact O-CD 3.23Å; L161-P169 WeakPolarHBondContact O-CD 3.46Å; L161-I170 HydrophobicContact CB-CB 4.38Å; L161-I170 PolarHBondContact O-N 3.03Å; L161-F199 HydrophobicContact CB-CE1 4.3Å; L161-F199 HydrophobicContact CB-CZ 4.18Å; L161-F199 HydrophobicContact CD1-CZ 3.76Å |
| 162 | E | 86.8 | Confident | 90.1 | Very high | 54 Ų | 54 | 56 Ų | 56 | 25% | 0.252 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -89.2 | -14.4 | 176.5 | -75.8 | -177.9 | -142.1 | 0 | 0 | 113.5 | S158 S159 D164 C168 I170 F199 S202 S204 | S158-E162 PolarHBondContact O-N 3.34Å; S159-E162 PolarHBondContact O-N 3.3Å; E162-D164 PolarHBondContact O-N 2.96Å; E162-C168 PolarHBondContact O-SG 3.31Å; E162-I170 HydrophobicContact CG-CG2 3.92Å; E162-F199 HydrophobicContact CG-CD1 4.47Å; E162-F199 HydrophobicContact CG-CE1 4.37Å; E162-S202 PolarHBondContact OE1-OG 2.96Å; E162-S204 WeakPolarHBondContact OE1-CB 3.36Å |
| 163 | T | 84.3 | Confident | 90 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | trans | -69.1 | 131 | -173.4 | -167.6 | 0 | 0 | 0 | 0 | 113.1 | Q160 R165 I166 C168 | Q160-T163 VanDerWaalsContact O-CG2 3.29Å; Q160-T163 WeakPolarHBondContact O-CG2 3.32Å; T163-R165 HydrophobicContact CG2-CB 4.13Å; T163-R165 PolarHBondContact O-N 2.67Å; T163-R165 VanDerWaalsContact O-N 3.12Å; T163-R165 PolarHBondContact OG1-N 3.39Å; T163-I166 HydrophobicContact CG2-CD1 4.07Å; T163-I166 HydrophobicContact CG2-CG1 3.7Å; T163-I166 PolarHBondContact O-N 3.36Å; T163-C168 PolarHBondContact O-N 3.43Å | ||
| 164 | D | 81.6 | Confident | 90 | Very high | 143 Ų | 143 | 54.2 Ų | 54.2 | 77% | 0.765 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -59.7 | -22.4 | 171.9 | -70.1 | -29.4 | 0 | 0 | 0 | 112.8 | E162 I166 G167 | E162-D164 PolarHBondContact O-N 2.96Å; D164-I166 PolarHBondContact O-N 3.39Å; D164-G167 PolarHBondContact O-N 3.22Å |
| 165 | R | 78.9 | Confident | 90.1 | Very high | 232 Ų | 232 | 56.7 Ų | 56.7 | 88% | 0.875 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -60.4 | -28.8 | -177.4 | -67.7 | -177.6 | 178.3 | -178.9 | 2.2 | 113.5 | T163 | T163-R165 HydrophobicContact CG2-CB 4.13Å; T163-R165 PolarHBondContact O-N 2.67Å; T163-R165 VanDerWaalsContact O-N 3.12Å; T163-R165 PolarHBondContact OG1-N 3.39Å |
| 166 | I | 82.2 | Confident | 90.1 | Very high | 56 Ų | 56 | 52.3 Ų | 52.3 | 29% | 0.287 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -114.2 | 19 | 176.3 | 67 | 179.2 | 0 | 0 | 0 | 111.7 | I121 Q122 Q160 T163 D164 P169 | I121-I166 HydrophobicContact CG2-CD1 3.37Å; Q122-I166 HydrophobicContact CB-CG2 3.76Å; Q160-I166 VanDerWaalsContact O-CD1 3.22Å; Q160-I166 WeakPolarHBondContact O-CD1 3.39Å; T163-I166 HydrophobicContact CG2-CD1 4.07Å; T163-I166 HydrophobicContact CG2-CG1 3.7Å; T163-I166 PolarHBondContact O-N 3.36Å; D164-I166 PolarHBondContact O-N 3.39Å; I166-P169 HydrophobicContact CD1-CG 3.73Å; I166-P169 HydrophobicContact CG1-CG 3.74Å |
| 167 | G | 85.3 | Confident | 90.4 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 22 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D164 | D164-G167 PolarHBondContact O-N 3.22Š|
| 168 | C | 88.5 | Confident | 90.6 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 17% | 0.169 | 28% | 0.279 | C | S | . | . | trans | 48 | 63.9 | -179.1 | -166.7 | 0 | 0 | 0 | 0 | 113.2 | L161 E162 T163 I170 G171 | L161-C168 CarbonylContact O-C 3.5Å; E162-C168 PolarHBondContact O-SG 3.31Å; T163-C168 PolarHBondContact O-N 3.43Å; C168-I170 PolarHBondContact O-N 3.01Å; C168-G171 PolarHBondContact O-N 2.95Å | ||
| 169 | P | 91.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 13% | 0.13 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -30.7 | -175.1 | -28.6 | 31.6 | 0 | 0 | 0 | 114.5 | L128 L161 I166 G171 V172 L173 | L128-P169 HydrophobicContact CD1-CB 3.61Å; L128-P169 HydrophobicContact CD1-CG 3.73Å; L161-P169 HydrophobicContact CD2-CB 4.44Å; L161-P169 VanDerWaalsContact O-CD 3.23Å; L161-P169 WeakPolarHBondContact O-CD 3.46Å; I166-P169 HydrophobicContact CD1-CG 3.73Å; I166-P169 HydrophobicContact CG1-CG 3.74Å; P169-G171 PolarHBondContact O-N 2.96Å; P169-V172 PolarHBondContact O-N 2.98Å; P169-L173 HydrophobicContact CB-CD1 4.26Å; P169-L173 WeakPolarHBondContact O-CG 3.38Å; P169-L173 PolarHBondContact O-N 3.18Å |
| 170 | I | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -27.1 | -178.9 | -163.6 | 56.5 | 0 | 0 | 0 | 113.4 | L161 E162 C168 V172 L173 I174 F177 F199 V206 | L161-I170 HydrophobicContact CB-CB 4.38Å; L161-I170 PolarHBondContact O-N 3.03Å; E162-I170 HydrophobicContact CG-CG2 3.92Å; C168-I170 PolarHBondContact O-N 3.01Å; I170-V172 PolarHBondContact O-N 3.45Å; I170-L173 HydrophobicContact CD1-CB 4.11Å; I170-L173 PolarHBondContact O-N 2.93Å; I170-I174 HydrophobicContact CD1-CD1 4.04Å; I170-I174 HydrophobicContact CD1-CG1 3.59Å; I170-I174 HydrophobicContact CG1-CD1 3.59Å; I170-I174 HydrophobicContact CG1-CG1 3.69Å; I170-I174 PolarHBondContact O-N 3.34Å; I170-F177 HydrophobicContact CD1-CE2 4.13Å; I170-F199 HydrophobicContact CB-CE1 4.31Å; I170-F199 HydrophobicContact CB-CZ 4.46Å; I170-F199 HydrophobicContact CD1-CD1 4.21Å; I170-F199 HydrophobicContact CD1-CD2 3.74Å; I170-F199 HydrophobicContact CD1-CE1 3.74Å; I170-F199 HydrophobicContact CD1-CE2 3.22Å; I170-F199 HydrophobicContact CD1-CG 4.22Å; I170-F199 HydrophobicContact CD1-CZ 3.21Å; I170-F199 HydrophobicContact CG1-CD1 3.91Å; I170-F199 HydrophobicContact CG1-CD2 4.25Å; I170-F199 HydrophobicContact CG1-CE1 3.63Å; I170-F199 HydrophobicContact CG1-CE2 4.01Å; I170-F199 HydrophobicContact CG1-CG 4.22Å; I170-F199 HydrophobicContact CG1-CZ 3.69Å; I170-V206 HydrophobicContact CG2-CB 3.94Å; I170-V206 HydrophobicContact CG2-CG1 4.06Å; I170-V206 HydrophobicContact CG2-CG2 3.87Å |
| 171 | G | 92.7 | Very high | 91.3 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -23.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | C168 P169 P175 | C168-G171 PolarHBondContact O-N 2.95Å; P169-G171 PolarHBondContact O-N 2.96Å; G171-P175 WeakPolarHBondContact O-CD 3.33Å |
| 172 | V | 92.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 56 Ų | 56 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -96.1 | -35.7 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | P169 I170 | P169-V172 PolarHBondContact O-N 2.98Å; I170-V172 PolarHBondContact O-N 3.45Å |
| 173 | L | 96 | Very high | 91.9 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.2 | -40.2 | -175.8 | -68.1 | 172 | 0 | 0 | 0 | 113.1 | L128 V132 P169 I170 K176 F177 | L128-L173 HydrophobicContact CD2-CD1 4.48Å; V132-L173 HydrophobicContact CG2-CD2 3.66Å; P169-L173 HydrophobicContact CB-CD1 4.26Å; P169-L173 WeakPolarHBondContact O-CG 3.38Å; P169-L173 PolarHBondContact O-N 3.18Å; I170-L173 HydrophobicContact CD1-CB 4.11Å; I170-L173 PolarHBondContact O-N 2.93Å; L173-K176 CarbonylContact O-C 3.53Å; L173-K176 WeakPolarHBondContact O-CA 3.36Å; L173-K176 VanDerWaalsContact O-CB 3.25Å; L173-K176 WeakPolarHBondContact O-CB 3.22Å; L173-K176 PolarHBondContact O-N 3.28Å; L173-F177 HydrophobicContact CB-CE1 4.2Å; L173-F177 HydrophobicContact CB-CE2 3.81Å; L173-F177 HydrophobicContact CB-CZ 3.64Å; L173-F177 HydrophobicContact CD1-CZ 4.37Å; L173-F177 HydrophobicContact CD2-CE1 4.38Å; L173-F177 HydrophobicContact CD2-CZ 4.31Å; L173-F177 HydrophobicContact CG-CZ 4.33Å; L173-F177 WeakPolarHBondContact O-CD1 3.04Å; L173-F177 WeakPolarHBondContact O-CD2 3.33Å; L173-F177 WeakPolarHBondContact O-CG 3.25Å; L173-F177 PolarHBondContact O-N 2.88Å |
| 174 | I | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58 | -51.4 | 179 | -74.9 | 173.9 | 0 | 0 | 0 | 112.2 | I170 K176 F177 L178 V206 L207 F210 | I170-I174 HydrophobicContact CD1-CD1 4.04Å; I170-I174 HydrophobicContact CD1-CG1 3.59Å; I170-I174 HydrophobicContact CG1-CD1 3.59Å; I170-I174 HydrophobicContact CG1-CG1 3.69Å; I170-I174 PolarHBondContact O-N 3.34Å; I174-K176 PolarHBondContact O-N 3.39Å; I174-K176 VanDerWaalsContact O-N 3.17Å; I174-F177 PolarHBondContact O-N 3.02Å; I174-F177 VanDerWaalsContact O-N 3.11Å; I174-L178 HydrophobicContact CG2-CD1 3.91Å; I174-L178 HydrophobicContact CG2-CG 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.25Å; I174-L178 PolarHBondContact O-N 2.93Å; I174-V206 HydrophobicContact CD1-CG1 4.26Å; I174-L207 HydrophobicContact CD1-CB 3.79Å; I174-L207 HydrophobicContact CD1-CD1 4.17Å; I174-L207 HydrophobicContact CG2-CD1 4.49Å; I174-F210 HydrophobicContact CB-CD2 4.21Å; I174-F210 HydrophobicContact CG2-CB 3.88Å; I174-F210 HydrophobicContact CG2-CD2 3.61Å; I174-F210 HydrophobicContact CG2-CE2 4.36Å; I174-F210 HydrophobicContact CG2-CG 3.86Å |
| 175 | P | 96.7 | Very high | 93 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.9 | -35.2 | 174.4 | -28.4 | 35.5 | 0 | 0 | 0 | 113.1 | G171 Q179 F210 | G171-P175 WeakPolarHBondContact O-CD 3.33Å; P175-Q179 PolarHBondContact O-N 3.4Å; P175-F210 HydrophobicContact CG-CE1 3.83Å; P175-F210 HydrophobicContact CG-CE2 4.12Å; P175-F210 HydrophobicContact CG-CZ 3.59Å |
| 176 | K | 96.2 | Very high | 93.8 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -47 | 177.3 | -149.1 | 165.2 | -158.9 | -80.2 | 0 | 110.8 | V132 D136 L173 I174 L178 Q179 Y180 | V132-K176 HydrophobicContact CG1-CD 4.05Å; D136-K176 VanDerWaalsContact OD1-CE 3.26Å; D136-K176 WeakPolarHBondContact OD1-CE 3.39Å; D136-K176 IonicContact OD1-NZ 3.7Å; D136-K176 PolarHBondContact OD1-NZ 2.82Å; D136-K176 VanDerWaalsContact OD2-CE 3.25Å; D136-K176 WeakPolarHBondContact OD2-CE 3.42Å; D136-K176 IonicContact OD2-NZ 2.7Å; D136-K176 PolarHBondContact OD2-NZ 3.15Å; L173-K176 CarbonylContact O-C 3.53Å; L173-K176 WeakPolarHBondContact O-CA 3.36Å; L173-K176 VanDerWaalsContact O-CB 3.25Å; L173-K176 WeakPolarHBondContact O-CB 3.22Å; L173-K176 PolarHBondContact O-N 3.28Å; I174-K176 PolarHBondContact O-N 3.39Å; I174-K176 VanDerWaalsContact O-N 3.17Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.03Å; K176-Q179 WeakPolarHBondContact O-CA 3.39Å; K176-Q179 VanDerWaalsContact O-CB 3.32Å; K176-Q179 WeakPolarHBondContact O-CB 3.36Å; K176-Q179 PolarHBondContact O-N 3.08Å; K176-Y180 HydrophobicContact CG-CD2 4Å; K176-Y180 HydrophobicContact CG-CE2 3.76Å; K176-Y180 WeakPolarHBondContact O-CD2 3.41Å; K176-Y180 PolarHBondContact O-N 3.25Å |
| 177 | F | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.5 | -55.7 | -27.5 | 0 | 0 | 0 | 111.6 | F147 I150 I170 L173 I174 Q179 Y180 S181 A192 C195 I196 | F147-F177 AromaticContact CE1-CD1 3.9Å; F147-F177 HydrophobicContact CE1-CD1 3.9Å; F147-F177 HydrophobicContact CE1-CE1 4.22Å; I150-F177 HydrophobicContact CG2-CE1 3.84Å; I150-F177 HydrophobicContact CG2-CZ 3.53Å; I170-F177 HydrophobicContact CD1-CE2 4.13Å; L173-F177 HydrophobicContact CB-CE1 4.2Å; L173-F177 HydrophobicContact CB-CE2 3.81Å; L173-F177 HydrophobicContact CB-CZ 3.64Å; L173-F177 HydrophobicContact CD1-CZ 4.37Å; L173-F177 HydrophobicContact CD2-CE1 4.38Å; L173-F177 HydrophobicContact CD2-CZ 4.31Å; L173-F177 HydrophobicContact CG-CZ 4.33Å; L173-F177 WeakPolarHBondContact O-CD1 3.04Å; L173-F177 WeakPolarHBondContact O-CD2 3.33Å; L173-F177 WeakPolarHBondContact O-CG 3.25Å; L173-F177 PolarHBondContact O-N 2.88Å; I174-F177 PolarHBondContact O-N 3.02Å; I174-F177 VanDerWaalsContact O-N 3.11Å; F177-Q179 PolarHBondContact O-N 2.75Å; F177-Y180 PolarHBondContact O-N 3.29Å; F177-Y180 VanDerWaalsContact O-N 3.14Å; F177-S181 PolarHBondContact O-N 3.45Å; F177-A192 HydrophobicContact CB-CB 4.48Å; F177-A192 WeakPolarHBondContact O-CB 3.45Å; F177-C195 HydrophobicContact CD1-CB 4.27Å; F177-C195 HydrophobicContact CD2-CB 3.72Å; F177-C195 HydrophobicContact CE1-CB 4.17Å; F177-C195 HydrophobicContact CE2-CB 3.61Å; F177-C195 HydrophobicContact CG-CB 4.06Å; F177-C195 HydrophobicContact CZ-CB 3.84Å; F177-I196 HydrophobicContact CB-CD1 3.69Å; F177-I196 HydrophobicContact CB-CG1 3.56Å; F177-I196 HydrophobicContact CD2-CG1 3.95Å; F177-I196 HydrophobicContact CG-CG1 4.23Å |
| 178 | L | 97.5 | Very high | 95 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 11% | 0.105 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -29.3 | 174.4 | -68.9 | 170.5 | 0 | 0 | 0 | 113.4 | I174 K176 S181 I196 F210 E213 F214 C217 | I174-L178 HydrophobicContact CG2-CD1 3.91Å; I174-L178 HydrophobicContact CG2-CG 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.25Å; I174-L178 PolarHBondContact O-N 2.93Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.03Å; L178-S181 PolarHBondContact O-OG 3Å; L178-I196 HydrophobicContact CD2-CD1 3.77Å; L178-I196 HydrophobicContact CG-CD1 4.06Å; L178-F210 HydrophobicContact CD1-CB 4.12Å; L178-E213 HydrophobicContact CD1-CB 3.95Å; L178-F214 HydrophobicContact CD2-CB 4.02Å; L178-F214 HydrophobicContact CD2-CD2 3.9Å; L178-F214 HydrophobicContact CD2-CG 4.42Å; L178-C217 HydrophobicContact CD2-CB 3.97Å |
| 179 | Q | 96.5 | Very high | 95.4 | Very high | 122 Ų | 122 | 45.7 Ų | 45.7 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -71.6 | -46.6 | 172 | 178.7 | -171.4 | -16.6 | 0 | 0 | 111.2 | P175 K176 F177 S181 R182 | P175-Q179 PolarHBondContact O-N 3.4Å; K176-Q179 WeakPolarHBondContact O-CA 3.39Å; K176-Q179 VanDerWaalsContact O-CB 3.32Å; K176-Q179 WeakPolarHBondContact O-CB 3.36Å; K176-Q179 PolarHBondContact O-N 3.08Å; F177-Q179 PolarHBondContact O-N 2.75Å; Q179-S181 VanDerWaalsContact C-N 3.34Å; Q179-R182 PolarHBondContact O-N 3.11Å |
| 180 | Y | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79.2 | -14 | -176.1 | -76.9 | -79.4 | 0 | 0 | 0 | 114.2 | I135 D136 M143 F147 K176 F177 R182 H183 I188 | I135-Y180 HydrophobicContact CG2-CD1 4.44Å; I135-Y180 HydrophobicContact CG2-CD2 3.76Å; I135-Y180 HydrophobicContact CG2-CE1 4.01Å; I135-Y180 HydrophobicContact CG2-CE2 3.32Å; I135-Y180 HydrophobicContact CG2-CG 4.32Å; I135-Y180 VanDerWaalsContact CG2-CZ 3.42Å; I135-Y180 PolarHBondContact O-OH 3.3Å; D136-Y180 PolarHBondContact OD1-OH 3.16Å; M143-Y180 HydrophobicContact CE-CD1 3.71Å; M143-Y180 HydrophobicContact CE-CE1 3.41Å; M143-Y180 VanDerWaalsContact CE-CE1 3.41Å; F147-Y180 HydrophobicContact CE2-CD1 4.15Å; F147-Y180 HydrophobicContact CE2-CD2 4.41Å; F147-Y180 AromaticContact CE2-CG 3.96Å; F147-Y180 HydrophobicContact CE2-CG 3.96Å; F147-Y180 HydrophobicContact CZ-CD1 4.36Å; F147-Y180 AromaticContact CZ-CD2 3.95Å; F147-Y180 HydrophobicContact CZ-CD2 3.95Å; F147-Y180 AromaticContact CZ-CG 3.7Å; F147-Y180 HydrophobicContact CZ-CG 3.7Å; K176-Y180 HydrophobicContact CG-CD2 4Å; K176-Y180 HydrophobicContact CG-CE2 3.76Å; K176-Y180 WeakPolarHBondContact O-CD2 3.41Å; K176-Y180 PolarHBondContact O-N 3.25Å; F177-Y180 PolarHBondContact O-N 3.29Å; F177-Y180 VanDerWaalsContact O-N 3.14Å; Y180-R182 PolarHBondContact O-N 2.77Å; Y180-R182 VanDerWaalsContact O-N 3.15Å; Y180-H183 HydrophobicContact CD1-CB 4.45Å; Y180-H183 WeakPolarHBondContact O-CB 3.48Å; Y180-H183 PolarHBondContact O-N 2.98Å; Y180-I188 HydrophobicContact CD1-CG2 4.02Å; Y180-I188 HydrophobicContact CG-CG2 4.46Å |
| 181 | S | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.6 | 167.5 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | F177 L178 Q179 R189 C217 L221 | F177-S181 PolarHBondContact O-N 3.45Å; L178-S181 PolarHBondContact O-OG 3Å; Q179-S181 VanDerWaalsContact C-N 3.34Å; S181-R189 WeakPolarHBondContact O-CD 3.2Å; S181-R189 VanDerWaalsContact O-CG 3.24Å; S181-R189 WeakPolarHBondContact O-CG 3.3Å; S181-C217 WeakPolarHBondContact CB-SG 3.37Å; S181-C217 PolarHBondContact OG-SG 3.45Å; S181-L221 WeakPolarHBondContact O-CD1 3.48Å; S181-L221 WeakPolarHBondContact O-CD2 3.49Å |
| 182 | R | 94.5 | Very high | 96.1 | Very high | 164 Ų | 164 | 45.9 Ų | 45.9 | 62% | 0.619 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 13.4 | 174.3 | -57.2 | -179.4 | -176.8 | 178.9 | 0.5 | 113.5 | Q179 Y180 | Q179-R182 PolarHBondContact O-N 3.11Å; Y180-R182 PolarHBondContact O-N 2.77Å; Y180-R182 VanDerWaalsContact O-N 3.15Å |
| 183 | H | 95.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | trans | -72.9 | 151.5 | -177.4 | -171.9 | -95.7 | 0 | 0 | 0 | 112.3 | Y180 S185 I188 R189 | Y180-H183 HydrophobicContact CD1-CB 4.45Å; Y180-H183 WeakPolarHBondContact O-CB 3.48Å; Y180-H183 PolarHBondContact O-N 2.98Å; H183-S185 VanDerWaalsContact C-N 3.3Å; H183-S185 WeakPolarHBondContact ND1-CB 3.41Å; H183-S185 PolarHBondContact ND1-N 3.43Å; H183-S185 PolarHBondContact O-N 2.79Å; H183-I188 HydrophobicContact CB-CB 4.25Å; H183-I188 HydrophobicContact CB-CG2 3.81Å; H183-R189 HydrophobicContact CB-CG 4.42Å; H183-R189 WeakPolarHBondContact O-CD 3.11Å; H183-R189 WeakPolarHBondContact O-CG 3.47Å; H183-R189 PolarHBondContact O-NH1 3.16Å | ||
| 184 | D | 94.3 | Very high | 96.4 | Very high | 154 Ų | 154 | 40.8 Ų | 40.8 | 82% | 0.824 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -63.1 | -34.6 | -178.1 | -65.8 | -25.5 | 0 | 0 | 0 | 112.8 | R189 | D184-R189 PolarHBondContact O-NH1 3.18Š|
| 185 | S | 95.2 | Very high | 96.4 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -76.5 | 121.2 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 112 | H183 K187 I188 R189 | H183-S185 VanDerWaalsContact C-N 3.3Å; H183-S185 WeakPolarHBondContact ND1-CB 3.41Å; H183-S185 PolarHBondContact ND1-N 3.43Å; H183-S185 PolarHBondContact O-N 2.79Å; S185-K187 VanDerWaalsContact C-N 3.33Å; S185-K187 PolarHBondContact O-N 3.03Å; S185-I188 PolarHBondContact O-N 3.34Å; S185-I188 VanDerWaalsContact O-N 3.15Å; S185-R189 PolarHBondContact O-N 3.33Å; S185-R189 VanDerWaalsContact O-N 3.17Å |
| 186 | P | 96.5 | Very high | 96.5 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.5 | -35.9 | 179.4 | 23.4 | -32.8 | 0 | 0 | 0 | 113.3 | I188 R189 S190 D226 V229 | P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 3.05Å; P186-R189 PolarHBondContact O-N 3.24Å; P186-S190 WeakPolarHBondContact O-CB 3.21Å; P186-S190 PolarHBondContact O-N 3.39Å; P186-D226 HydrophobicContact CB-CB 3.48Å; P186-D226 VanDerWaalsContact CB-CB 3.48Å; P186-D226 HydrophobicContact CG-CB 4.48Å; P186-V229 HydrophobicContact CB-CG2 4.48Å; P186-V229 WeakPolarHBondContact O-CG2 3.42Å |
| 187 | K | 95.2 | Very high | 96.5 | Very high | 95 Ų | 95 | 37.6 Ų | 37.6 | 41% | 0.413 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 174 | -91.3 | -178.1 | 168.3 | -176.9 | 0 | 112.6 | E144 S185 S190 H191 | E144-K187 VanDerWaalsContact CD-CD 3.49Å; E144-K187 HydrophobicContact CG-CD 4.44Å; E144-K187 WeakPolarHBondContact OE1-CD 3.4Å; E144-K187 IonicContact OE1-NZ 2.67Å; E144-K187 IonicContact OE2-NZ 2.77Å; E144-K187 PolarHBondContact OE2-NZ 3.28Å; S185-K187 VanDerWaalsContact C-N 3.33Å; S185-K187 PolarHBondContact O-N 3.03Å; K187-S190 WeakPolarHBondContact O-CB 3.35Å; K187-S190 PolarHBondContact O-N 3.5Å; K187-H191 PolarHBondContact O-CD2 2.87Å; K187-H191 PolarHBondContact O-N 2.98Å |
| 188 | I | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.9 | -61.6 | -58.4 | 0 | 0 | 0 | 110.4 | M143 E144 F147 Y180 H183 S185 P186 S190 H191 A192 | M143-I188 HydrophobicContact CB-CD1 3.71Å; M143-I188 HydrophobicContact CE-CD1 4.39Å; M143-I188 HydrophobicContact CE-CG1 4.26Å; M143-I188 HydrophobicContact CE-CG2 4.03Å; E144-I188 HydrophobicContact CG-CD1 3.88Å; F147-I188 HydrophobicContact CD2-CD1 3.9Å; F147-I188 HydrophobicContact CD2-CG2 4.1Å; F147-I188 HydrophobicContact CE2-CD1 4.49Å; F147-I188 HydrophobicContact CE2-CG2 3.69Å; F147-I188 HydrophobicContact CZ-CG2 4.36Å; Y180-I188 HydrophobicContact CD1-CG2 4.02Å; Y180-I188 HydrophobicContact CG-CG2 4.46Å; H183-I188 HydrophobicContact CB-CB 4.25Å; H183-I188 HydrophobicContact CB-CG2 3.81Å; S185-I188 PolarHBondContact O-N 3.34Å; S185-I188 VanDerWaalsContact O-N 3.15Å; P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 3.05Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 3.3Å; I188-H191 PolarHBondContact O-N 3.17Å; I188-A192 VanDerWaalsContact O-CB 3.28Å; I188-A192 WeakPolarHBondContact O-CB 3.4Å; I188-A192 PolarHBondContact O-N 2.95Å |
| 189 | R | 97.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 11% | 0.113 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.1 | -60.3 | -163.2 | -63.3 | -81 | 5.2 | 111.6 | S181 H183 D184 S185 P186 A192 L193 D224 V229 | S181-R189 WeakPolarHBondContact O-CD 3.2Å; S181-R189 VanDerWaalsContact O-CG 3.24Å; S181-R189 WeakPolarHBondContact O-CG 3.3Å; H183-R189 HydrophobicContact CB-CG 4.42Å; H183-R189 WeakPolarHBondContact O-CD 3.11Å; H183-R189 WeakPolarHBondContact O-CG 3.47Å; H183-R189 PolarHBondContact O-NH1 3.16Å; D184-R189 PolarHBondContact O-NH1 3.18Å; S185-R189 PolarHBondContact O-N 3.33Å; S185-R189 VanDerWaalsContact O-N 3.17Å; P186-R189 PolarHBondContact O-N 3.24Å; R189-A192 PolarHBondContact O-N 3.38Å; R189-L193 PolarHBondContact O-N 3.27Å; R189-D224 IonicContact CZ-OD1 2.97Å; R189-D224 IonicContact CZ-OD2 2.69Å; R189-D224 IonicContact NE-OD1 2.98Å; R189-D224 IonicContact NE-OD2 2.73Å; R189-D224 PolarHBondContact NE-OD2 3.1Å; R189-D224 VanDerWaalsContact NH2-CG 3.25Å; R189-D224 IonicContact NH2-OD1 3.33Å; R189-D224 PolarHBondContact NH2-OD1 3.47Å; R189-D224 IonicContact NH2-OD2 3.81Å; R189-D224 PolarHBondContact NH2-OD2 3.27Å; R189-V229 HydrophobicContact CB-CG2 3.94Å |
| 190 | S | 97.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 33 Ų | 33 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -52.8 | 177.9 | -168 | 0 | 0 | 0 | 0 | 111.5 | P186 K187 I188 A192 L193 A194 H232 | P186-S190 WeakPolarHBondContact O-CB 3.21Å; P186-S190 PolarHBondContact O-N 3.39Å; K187-S190 WeakPolarHBondContact O-CB 3.35Å; K187-S190 PolarHBondContact O-N 3.5Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 3.3Å; S190-A192 VanDerWaalsContact C-N 3.34Å; S190-A192 PolarHBondContact O-N 3.46Å; S190-L193 PolarHBondContact O-N 2.92Å; S190-A194 WeakPolarHBondContact O-CB 3.46Å; S190-A194 PolarHBondContact O-N 2.95Å; S190-H232 PolarHBondContact OG-CD2 3.47Å; S190-H232 PolarHBondContact OG-NE2 3.12Å |
| 191 | H | 97.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 39 Ų | 39 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.4 | -74.2 | -58.8 | 0 | 0 | 0 | 112.1 | F147 E151 K187 I188 L193 A194 C195 | F147-H191 HydrophobicContact CB-CB 3.64Å; F147-H191 HydrophobicContact CD1-CB 3.85Å; F147-H191 HydrophobicContact CG-CB 3.88Å; E151-H191 IonicContact OE2-CE1 2.9Å; E151-H191 PolarHBondContact OE2-CE1 3.31Å; E151-H191 IonicContact OE2-CG 3.6Å; E151-H191 IonicContact OE2-ND1 3.5Å; E151-H191 PolarHBondContact OE2-ND1 2.85Å; K187-H191 PolarHBondContact O-CD2 2.87Å; K187-H191 PolarHBondContact O-N 2.98Å; I188-H191 PolarHBondContact O-N 3.17Å; H191-L193 VanDerWaalsContact C-N 3.34Å; H191-L193 PolarHBondContact O-N 2.71Å; H191-A194 PolarHBondContact O-N 3.37Å; H191-C195 WeakPolarHBondContact O-CB 3.29Å; H191-C195 PolarHBondContact O-N 3.24Å; H191-C195 PolarHBondContact O-SG 3.38Å |
| 192 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F147 F177 I188 R189 S190 I196 | F147-A192 HydrophobicContact CE1-CB 4.04Å; F147-A192 HydrophobicContact CZ-CB 4.34Å; F177-A192 HydrophobicContact CB-CB 4.48Å; F177-A192 WeakPolarHBondContact O-CB 3.45Å; I188-A192 VanDerWaalsContact O-CB 3.28Å; I188-A192 WeakPolarHBondContact O-CB 3.4Å; I188-A192 PolarHBondContact O-N 2.95Å; R189-A192 PolarHBondContact O-N 3.38Å; S190-A192 VanDerWaalsContact C-N 3.34Å; S190-A192 PolarHBondContact O-N 3.46Å; A192-I196 WeakPolarHBondContact O-CG1 3.11Å; A192-I196 PolarHBondContact O-N 3.29Å |
| 193 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -45.6 | 173.8 | -75.1 | -177 | 0 | 0 | 0 | 112.2 | R189 S190 H191 C195 I196 N197 F214 L218 L221 V229 H232 V233 | R189-L193 PolarHBondContact O-N 3.27Å; S190-L193 PolarHBondContact O-N 2.92Å; H191-L193 VanDerWaalsContact C-N 3.34Å; H191-L193 PolarHBondContact O-N 2.71Å; L193-C195 VanDerWaalsContact C-N 3.31Å; L193-C195 PolarHBondContact O-N 3.04Å; L193-I196 PolarHBondContact O-N 2.96Å; L193-N197 PolarHBondContact O-N 3.28Å; L193-N197 PolarHBondContact O-OD1 3.42Å; L193-F214 HydrophobicContact CD2-CE2 4.09Å; L193-L218 HydrophobicContact CD2-CD2 4.11Å; L193-L221 HydrophobicContact CD1-CD1 3.73Å; L193-L221 HydrophobicContact CD2-CD1 3.95Å; L193-L221 HydrophobicContact CG-CD1 3.99Å; L193-V229 HydrophobicContact CD1-CG1 3.88Å; L193-H232 HydrophobicContact CB-CB 3.94Å; L193-H232 HydrophobicContact CD1-CB 4.16Å; L193-V233 HydrophobicContact CD1-CG2 3.73Å |
| 194 | A | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.5 | -47.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E151 S190 H191 I196 N197 H198 H232 | E151-A194 HydrophobicContact CG-CB 3.92Å; E151-A194 WeakPolarHBondContact OE1-CB 3.42Å; S190-A194 WeakPolarHBondContact O-CB 3.46Å; S190-A194 PolarHBondContact O-N 2.95Å; H191-A194 PolarHBondContact O-N 3.37Å; A194-I196 VanDerWaalsContact C-N 3.29Å; A194-I196 PolarHBondContact O-N 3.32Å; A194-N197 PolarHBondContact O-N 3.21Å; A194-N197 VanDerWaalsContact O-N 3.12Å; A194-H198 PolarHBondContact O-CD2 3.42Å; A194-H198 PolarHBondContact O-N 3.03Å; A194-H232 VanDerWaalsContact CB-CE1 3.44Å; A194-H232 WeakPolarHBondContact CB-CE1 3.41Å |
| 195 | C | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.6 | -42 | 174.9 | -69.7 | 0 | 0 | 0 | 0 | 112.8 | E151 F177 H191 L193 F199 | E151-C195 VanDerWaalsContact CA-SG 3.51Å; F177-C195 HydrophobicContact CD1-CB 4.27Å; F177-C195 HydrophobicContact CD2-CB 3.72Å; F177-C195 HydrophobicContact CE1-CB 4.17Å; F177-C195 HydrophobicContact CE2-CB 3.61Å; F177-C195 HydrophobicContact CG-CB 4.06Å; F177-C195 HydrophobicContact CZ-CB 3.84Å; H191-C195 WeakPolarHBondContact O-CB 3.29Å; H191-C195 PolarHBondContact O-N 3.24Å; H191-C195 PolarHBondContact O-SG 3.38Å; L193-C195 VanDerWaalsContact C-N 3.31Å; L193-C195 PolarHBondContact O-N 3.04Å; C195-F199 WeakPolarHBondContact O-CD2 3.49Å; C195-F199 WeakPolarHBondContact O-CE2 3.48Å |
| 196 | I | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.9 | -40.9 | 179 | -61.9 | 165.5 | 0 | 0 | 0 | 110.7 | F177 L178 A192 L193 A194 H198 F199 L207 F214 | F177-I196 HydrophobicContact CB-CD1 3.69Å; F177-I196 HydrophobicContact CB-CG1 3.56Å; F177-I196 HydrophobicContact CD2-CG1 3.95Å; F177-I196 HydrophobicContact CG-CG1 4.23Å; L178-I196 HydrophobicContact CD2-CD1 3.77Å; L178-I196 HydrophobicContact CG-CD1 4.06Å; A192-I196 WeakPolarHBondContact O-CG1 3.11Å; A192-I196 PolarHBondContact O-N 3.29Å; L193-I196 PolarHBondContact O-N 2.96Å; A194-I196 VanDerWaalsContact C-N 3.29Å; A194-I196 PolarHBondContact O-N 3.32Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 3.01Å; I196-F199 PolarHBondContact O-N 3.14Å; I196-L207 HydrophobicContact CG2-CD1 3.62Å; I196-L207 HydrophobicContact CG2-CD2 4.34Å; I196-F214 HydrophobicContact CB-CE2 4Å; I196-F214 HydrophobicContact CB-CZ 4.19Å; I196-F214 HydrophobicContact CD1-CD2 4.06Å; I196-F214 HydrophobicContact CD1-CE2 4.04Å; I196-F214 HydrophobicContact CG2-CD1 4.03Å; I196-F214 HydrophobicContact CG2-CD2 3.74Å; I196-F214 HydrophobicContact CG2-CE1 3.77Å; I196-F214 HydrophobicContact CG2-CE2 3.47Å; I196-F214 VanDerWaalsContact CG2-CE2 3.47Å; I196-F214 HydrophobicContact CG2-CG 4.02Å; I196-F214 HydrophobicContact CG2-CZ 3.48Å; I196-F214 VanDerWaalsContact CG2-CZ 3.48Å |
| 197 | N | 95.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.5 | -40.5 | -176.3 | -72.9 | 7.2 | 0 | 0 | 0 | 112.6 | L193 A194 F199 I200 H232 A236 Q239 | L193-N197 PolarHBondContact O-N 3.28Å; L193-N197 PolarHBondContact O-OD1 3.42Å; A194-N197 PolarHBondContact O-N 3.21Å; A194-N197 VanDerWaalsContact O-N 3.12Å; N197-F199 PolarHBondContact O-N 2.89Å; N197-I200 HydrophobicContact CB-CD1 4.24Å; N197-I200 WeakPolarHBondContact O-CB 3.3Å; N197-I200 WeakPolarHBondContact O-CG1 3.37Å; N197-I200 PolarHBondContact O-N 3.32Å; N197-H232 PolarHBondContact ND2-O 3.29Å; N197-A236 VanDerWaalsContact OD1-CB 3.27Å; N197-A236 WeakPolarHBondContact OD1-CB 3.32Å; N197-Q239 PolarHBondContact O-OE1 3.05Å |
| 198 | H | 94.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 31 Ų | 31 | 21% | 0.208 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.4 | -25 | 177.9 | -63.8 | -64.1 | 0 | 0 | 0 | 114 | C154 E155 A194 I196 S202 | C154-H198 HydrophobicContact CB-CB 4.07Å; E155-H198 VanDerWaalsContact CB-CE1 3.45Å; E155-H198 WeakPolarHBondContact CB-CE1 3.49Å; A194-H198 PolarHBondContact O-CD2 3.42Å; A194-H198 PolarHBondContact O-N 3.03Å; I196-H198 VanDerWaalsContact C-N 3.3Å; I196-H198 PolarHBondContact O-N 3.01Å; H198-S202 PolarHBondContact O-N 2.74Å |
| 199 | F | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -87.1 | -9.9 | 177.3 | -65.8 | -79.7 | 0 | 0 | 0 | 114.3 | C154 L161 E162 I170 C195 I196 N197 S202 S204 L207 | C154-F199 HydrophobicContact CB-CE2 3.91Å; C154-F199 HydrophobicContact CB-CZ 4.31Å; L161-F199 HydrophobicContact CB-CE1 4.3Å; L161-F199 HydrophobicContact CB-CZ 4.18Å; L161-F199 HydrophobicContact CD1-CZ 3.76Å; E162-F199 HydrophobicContact CG-CD1 4.47Å; E162-F199 HydrophobicContact CG-CE1 4.37Å; I170-F199 HydrophobicContact CB-CE1 4.31Å; I170-F199 HydrophobicContact CB-CZ 4.46Å; I170-F199 HydrophobicContact CD1-CD1 4.21Å; I170-F199 HydrophobicContact CD1-CD2 3.74Å; I170-F199 HydrophobicContact CD1-CE1 3.74Å; I170-F199 HydrophobicContact CD1-CE2 3.22Å; I170-F199 HydrophobicContact CD1-CG 4.22Å; I170-F199 HydrophobicContact CD1-CZ 3.21Å; I170-F199 HydrophobicContact CG1-CD1 3.91Å; I170-F199 HydrophobicContact CG1-CD2 4.25Å; I170-F199 HydrophobicContact CG1-CE1 3.63Å; I170-F199 HydrophobicContact CG1-CE2 4.01Å; I170-F199 HydrophobicContact CG1-CG 4.22Å; I170-F199 HydrophobicContact CG1-CZ 3.69Å; C195-F199 WeakPolarHBondContact O-CD2 3.49Å; C195-F199 WeakPolarHBondContact O-CE2 3.48Å; I196-F199 PolarHBondContact O-N 3.14Å; N197-F199 PolarHBondContact O-N 2.89Å; F199-S202 WeakPolarHBondContact CA-OG 3.21Å; F199-S202 PolarHBondContact O-OG 2.78Å; F199-S204 VanDerWaalsContact O-CB 3.3Å; F199-S204 WeakPolarHBondContact O-CB 3.03Å; F199-S204 PolarHBondContact O-N 2.88Å; F199-S204 VanDerWaalsContact O-N 3.11Å; F199-L207 HydrophobicContact CB-CB 4.24Å; F199-L207 HydrophobicContact CB-CD2 3.94Å |
| 200 | I | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.1 | -49.3 | 169.3 | -52.8 | 163 | 0 | 0 | 0 | 108.4 | N197 S202 Q203 L207 F214 A236 Q239 L240 A243 | N197-I200 HydrophobicContact CB-CD1 4.24Å; N197-I200 WeakPolarHBondContact O-CB 3.3Å; N197-I200 WeakPolarHBondContact O-CG1 3.37Å; N197-I200 PolarHBondContact O-N 3.32Å; I200-S202 VanDerWaalsContact C-N 3.32Å; I200-S202 PolarHBondContact O-N 3.39Å; I200-Q203 WeakPolarHBondContact O-CA 3.25Å; I200-Q203 PolarHBondContact O-N 2.84Å; I200-L207 HydrophobicContact CB-CD2 4.34Å; I200-L207 HydrophobicContact CG1-CD2 3.62Å; I200-F214 HydrophobicContact CD1-CE1 3.81Å; I200-F214 HydrophobicContact CD1-CZ 4.2Å; I200-F214 HydrophobicContact CG1-CE1 4.17Å; I200-A236 HydrophobicContact CD1-CB 4.13Å; I200-Q239 HydrophobicContact CB-CB 4.01Å; I200-Q239 HydrophobicContact CD1-CB 4.04Å; I200-Q239 VanDerWaalsContact CG2-C 3.45Å; I200-Q239 HydrophobicContact CG2-CB 3.61Å; I200-Q239 WeakPolarHBondContact CG2-O 3.49Å; I200-L240 HydrophobicContact CD1-CG 4.08Å; I200-L240 HydrophobicContact CG1-CD2 4.35Å; I200-L240 HydrophobicContact CG1-CG 4.38Å; I200-L240 HydrophobicContact CG2-CD2 3.95Å; I200-L240 HydrophobicContact CG2-CG 4.07Å; I200-A243 HydrophobicContact CG2-CB 4.1Å |
| 201 | H | 84.6 | Confident | 93.8 | Very high | 150 Ų | 150 | 37.3 Ų | 37.3 | 69% | 0.694 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61 | -39.3 | 178.7 | -173.9 | 78.9 | 0 | 0 | 0 | 112.3 | Q203 | H201-Q203 PolarHBondContact O-N 3.43Å |
| 202 | S | 86.3 | Confident | 93.7 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 28% | 0.28 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.1 | 174.6 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | E162 H198 F199 I200 S204 | E162-S202 PolarHBondContact OE1-OG 2.96Å; H198-S202 PolarHBondContact O-N 2.74Å; F199-S202 WeakPolarHBondContact CA-OG 3.21Å; F199-S202 PolarHBondContact O-OG 2.78Å; I200-S202 VanDerWaalsContact C-N 3.32Å; I200-S202 PolarHBondContact O-N 3.39Å; S202-S204 PolarHBondContact O-N 2.8Å |
| 203 | Q | 88.5 | Confident | 93.6 | Very high | 116 Ų | 116 | 45.7 Ų | 45.7 | 54% | 0.542 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.7 | -173.1 | -57.8 | -175.8 | 30.4 | 0 | 0 | 112.8 | I200 H201 Q205 A243 | I200-Q203 WeakPolarHBondContact O-CA 3.25Å; I200-Q203 PolarHBondContact O-N 2.84Å; H201-Q203 PolarHBondContact O-N 3.43Å; Q203-Q205 PolarHBondContact O-N 3.44Å; Q203-Q205 PolarHBondContact O-NE2 3.42Å; Q203-A243 HydrophobicContact CG-CB 4.37Å |
| 204 | S | 91.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 22% | 0.221 | C | C | . | . | trans | -54.1 | 122.1 | -176.8 | 159 | 0 | 0 | 0 | 0 | 111.8 | E162 F199 S202 V206 L207 L208 | E162-S204 WeakPolarHBondContact OE1-CB 3.36Å; F199-S204 VanDerWaalsContact O-CB 3.3Å; F199-S204 WeakPolarHBondContact O-CB 3.03Å; F199-S204 PolarHBondContact O-N 2.88Å; F199-S204 VanDerWaalsContact O-N 3.11Å; S202-S204 PolarHBondContact O-N 2.8Å; S204-V206 PolarHBondContact O-N 3.39Å; S204-V206 PolarHBondContact OG-N 3.06Å; S204-V206 VanDerWaalsContact OG-N 3.13Å; S204-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact OG-N 3.49Å; S204-L208 PolarHBondContact O-N 3.04Å | ||
| 205 | Q | 91.1 | Very high | 93.6 | Very high | 131 Ų | 131 | 46 Ų | 46 | 61% | 0.612 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.7 | -25.7 | 172.1 | -60.8 | -56.1 | -62.4 | 0 | 0 | 113 | Q203 L208 H209 | Q203-Q205 PolarHBondContact O-N 3.44Å; Q203-Q205 PolarHBondContact O-NE2 3.42Å; Q205-L208 PolarHBondContact O-N 3.47Å; Q205-H209 PolarHBondContact O-N 3.39Å |
| 206 | V | 92.6 | Very high | 93.5 | Very high | 31 Ų | 31 | 51.9 Ų | 51.9 | 19% | 0.188 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -71.6 | -50.7 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | I170 I174 S204 L208 H209 F210 | I170-V206 HydrophobicContact CG2-CB 3.94Å; I170-V206 HydrophobicContact CG2-CG1 4.06Å; I170-V206 HydrophobicContact CG2-CG2 3.87Å; I174-V206 HydrophobicContact CD1-CG1 4.26Å; S204-V206 PolarHBondContact O-N 3.39Å; S204-V206 PolarHBondContact OG-N 3.06Å; S204-V206 VanDerWaalsContact OG-N 3.13Å; V206-L208 PolarHBondContact O-N 3.16Å; V206-H209 VanDerWaalsContact O-CB 3.23Å; V206-H209 WeakPolarHBondContact O-CB 3.17Å; V206-H209 PolarHBondContact O-N 3.19Å; V206-F210 HydrophobicContact CG1-CD2 4.4Å; V206-F210 HydrophobicContact CG1-CE2 4.05Å; V206-F210 VanDerWaalsContact O-CD2 3.29Å; V206-F210 WeakPolarHBondContact O-CD2 3.14Å |
| 207 | L | 94 | Very high | 93.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -52 | -42 | 169 | 179.6 | 59.3 | 0 | 0 | 0 | 112.5 | I174 I196 F199 I200 S204 H209 F210 V211 F214 | I174-L207 HydrophobicContact CD1-CB 3.79Å; I174-L207 HydrophobicContact CD1-CD1 4.17Å; I174-L207 HydrophobicContact CG2-CD1 4.49Å; I196-L207 HydrophobicContact CG2-CD1 3.62Å; I196-L207 HydrophobicContact CG2-CD2 4.34Å; F199-L207 HydrophobicContact CB-CB 4.24Å; F199-L207 HydrophobicContact CB-CD2 3.94Å; I200-L207 HydrophobicContact CB-CD2 4.34Å; I200-L207 HydrophobicContact CG1-CD2 3.62Å; S204-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact OG-N 3.49Å; L207-H209 PolarHBondContact O-N 3.19Å; L207-F210 CarbonylContact O-C 3.51Å; L207-F210 WeakPolarHBondContact O-CA 3.25Å; L207-F210 PolarHBondContact O-N 2.79Å; L207-V211 PolarHBondContact O-N 3.11Å; L207-F214 HydrophobicContact CD1-CD1 4.15Å; L207-F214 HydrophobicContact CD1-CG 4.43Å |
| 208 | L | 93.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -30 | 178 | -168.6 | 63.5 | 0 | 0 | 0 | 112.8 | S204 Q205 V206 F210 V211 K247 | S204-L208 PolarHBondContact O-N 3.04Å; Q205-L208 PolarHBondContact O-N 3.47Å; V206-L208 PolarHBondContact O-N 3.16Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 2.81Å; L208-V211 HydrophobicContact CD1-CB 4.46Å; L208-V211 HydrophobicContact CD1-CG1 4.42Å; L208-V211 VanDerWaalsContact O-CG1 3.28Å; L208-V211 WeakPolarHBondContact O-CG1 3.39Å; L208-V211 PolarHBondContact O-N 3.07Å; L208-K247 HydrophobicContact CD1-CD 4.49Å; L208-K247 HydrophobicContact CD1-CG 4.22Å |
| 209 | H | 94.5 | Very high | 93.7 | Very high | 137 Ų | 137 | 53 Ų | 53 | 63% | 0.634 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.8 | -32.4 | 172.8 | -175.8 | 66.7 | 0 | 0 | 0 | 112.8 | Q205 V206 L207 | Q205-H209 PolarHBondContact O-N 3.39Å; V206-H209 VanDerWaalsContact O-CB 3.23Å; V206-H209 WeakPolarHBondContact O-CB 3.17Å; V206-H209 PolarHBondContact O-N 3.19Å; L207-H209 PolarHBondContact O-N 3.19Å |
| 210 | F | 95.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 15.1 | -179.7 | -59.8 | -73.6 | 0 | 0 | 0 | 113.2 | I174 P175 L178 V206 L207 L208 H212 E213 F214 | I174-F210 HydrophobicContact CB-CD2 4.21Å; I174-F210 HydrophobicContact CG2-CB 3.88Å; I174-F210 HydrophobicContact CG2-CD2 3.61Å; I174-F210 HydrophobicContact CG2-CE2 4.36Å; I174-F210 HydrophobicContact CG2-CG 3.86Å; P175-F210 HydrophobicContact CG-CE1 3.83Å; P175-F210 HydrophobicContact CG-CE2 4.12Å; P175-F210 HydrophobicContact CG-CZ 3.59Å; L178-F210 HydrophobicContact CD1-CB 4.12Å; V206-F210 HydrophobicContact CG1-CD2 4.4Å; V206-F210 HydrophobicContact CG1-CE2 4.05Å; V206-F210 VanDerWaalsContact O-CD2 3.29Å; V206-F210 WeakPolarHBondContact O-CD2 3.14Å; L207-F210 CarbonylContact O-C 3.51Å; L207-F210 WeakPolarHBondContact O-CA 3.25Å; L207-F210 PolarHBondContact O-N 2.79Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 2.81Å; F210-H212 PolarHBondContact O-N 3.39Å; F210-E213 WeakPolarHBondContact CA-OE2 3.4Å; F210-E213 PolarHBondContact O-N 3.41Å; F210-F214 WeakPolarHBondContact O-CB 3.33Å; F210-F214 PolarHBondContact O-N 3.28Å |
| 211 | V | 94.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.5 | -32.7 | -172.5 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | L207 L208 F214 L215 K247 | L207-V211 PolarHBondContact O-N 3.11Å; L208-V211 HydrophobicContact CD1-CB 4.46Å; L208-V211 HydrophobicContact CD1-CG1 4.42Å; L208-V211 VanDerWaalsContact O-CG1 3.28Å; L208-V211 WeakPolarHBondContact O-CG1 3.39Å; L208-V211 PolarHBondContact O-N 3.07Å; V211-F214 PolarHBondContact O-N 3.05Å; V211-L215 HydrophobicContact CG2-CD1 4.43Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 VanDerWaalsContact O-CG 3.24Å; V211-L215 WeakPolarHBondContact O-CG 3.25Å; V211-L215 PolarHBondContact O-N 3.18Å; V211-K247 HydrophobicContact CG1-CD 4.4Å; V211-K247 HydrophobicContact CG1-CG 4.5Å; V211-K247 HydrophobicContact CG2-CB 4.17Å; V211-K247 HydrophobicContact CG2-CG 4.23Å |
| 212 | H | 94.5 | Very high | 94.4 | Very high | 128 Ų | 128 | 50.4 Ų | 50.4 | 59% | 0.593 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -70.1 | -46.6 | 179 | -68 | -60.7 | 0 | 0 | 0 | 111.4 | F210 F214 L215 E216 | F210-H212 PolarHBondContact O-N 3.39Å; H212-F214 VanDerWaalsContact C-N 3.25Å; H212-F214 PolarHBondContact O-N 2.84Å; H212-L215 PolarHBondContact O-N 3.05Å; H212-E216 WeakPolarHBondContact O-CG 3.37Å; H212-E216 PolarHBondContact O-N 3.33Å |
| 213 | E | 96.7 | Very high | 94.7 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 174.9 | -63.9 | 86.7 | 161.8 | 0 | 0 | 111.5 | L178 F210 C217 | L178-E213 HydrophobicContact CD1-CB 3.95Å; F210-E213 WeakPolarHBondContact CA-OE2 3.4Å; F210-E213 PolarHBondContact O-N 3.41Å; E213-C217 WeakPolarHBondContact O-CB 3.36Å; E213-C217 PolarHBondContact O-N 2.8Å |
| 214 | F | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 175.2 | -176.2 | -137.4 | 0 | 0 | 0 | 112.2 | L178 L193 I196 I200 L207 F210 V211 H212 E216 C217 L218 A236 L240 | L178-F214 HydrophobicContact CD2-CB 4.02Å; L178-F214 HydrophobicContact CD2-CD2 3.9Å; L178-F214 HydrophobicContact CD2-CG 4.42Å; L193-F214 HydrophobicContact CD2-CE2 4.09Å; I196-F214 HydrophobicContact CB-CE2 4Å; I196-F214 HydrophobicContact CB-CZ 4.19Å; I196-F214 HydrophobicContact CD1-CD2 4.06Å; I196-F214 HydrophobicContact CD1-CE2 4.04Å; I196-F214 HydrophobicContact CG2-CD1 4.03Å; I196-F214 HydrophobicContact CG2-CD2 3.74Å; I196-F214 HydrophobicContact CG2-CE1 3.77Å; I196-F214 HydrophobicContact CG2-CE2 3.47Å; I196-F214 VanDerWaalsContact CG2-CE2 3.47Å; I196-F214 HydrophobicContact CG2-CG 4.02Å; I196-F214 HydrophobicContact CG2-CZ 3.48Å; I196-F214 VanDerWaalsContact CG2-CZ 3.48Å; I200-F214 HydrophobicContact CD1-CE1 3.81Å; I200-F214 HydrophobicContact CD1-CZ 4.2Å; I200-F214 HydrophobicContact CG1-CE1 4.17Å; L207-F214 HydrophobicContact CD1-CD1 4.15Å; L207-F214 HydrophobicContact CD1-CG 4.43Å; F210-F214 WeakPolarHBondContact O-CB 3.33Å; F210-F214 PolarHBondContact O-N 3.28Å; V211-F214 PolarHBondContact O-N 3.05Å; H212-F214 VanDerWaalsContact C-N 3.25Å; H212-F214 PolarHBondContact O-N 2.84Å; F214-E216 PolarHBondContact O-N 3.27Å; F214-C217 WeakPolarHBondContact O-CA 3.29Å; F214-C217 VanDerWaalsContact O-CB 3.23Å; F214-C217 WeakPolarHBondContact O-CB 3.36Å; F214-C217 PolarHBondContact O-N 2.75Å; F214-C217 VanDerWaalsContact O-N 3.12Å; F214-L218 HydrophobicContact CD1-CD1 4.33Å; F214-L218 HydrophobicContact CD2-CD2 4.45Å; F214-L218 HydrophobicContact CD2-CG 4.17Å; F214-L218 HydrophobicContact CE1-CD1 3.97Å; F214-L218 HydrophobicContact CE1-CG 4.48Å; F214-L218 HydrophobicContact CE2-CD1 4.23Å; F214-L218 HydrophobicContact CE2-CD2 3.7Å; F214-L218 HydrophobicContact CE2-CG 3.85Å; F214-L218 HydrophobicContact CZ-CD1 3.92Å; F214-L218 HydrophobicContact CZ-CD2 3.85Å; F214-L218 HydrophobicContact CZ-CG 4.03Å; F214-L218 WeakPolarHBondContact O-CG 3.4Å; F214-L218 PolarHBondContact O-N 3.12Å; F214-A236 HydrophobicContact CE1-CB 4.41Å; F214-A236 HydrophobicContact CZ-CB 3.9Å; F214-L240 HydrophobicContact CD1-CD1 4.23Å; F214-L240 HydrophobicContact CE1-CD1 3.96Å |
| 215 | L | 96.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 173.9 | -72.4 | 172.9 | 0 | 0 | 0 | 111.8 | V211 H212 C217 L218 F219 F237 L240 L248 | V211-L215 HydrophobicContact CG2-CD1 4.43Å; V211-L215 WeakPolarHBondContact O-CB 3.42Å; V211-L215 VanDerWaalsContact O-CG 3.24Å; V211-L215 WeakPolarHBondContact O-CG 3.25Å; V211-L215 PolarHBondContact O-N 3.18Å; H212-L215 PolarHBondContact O-N 3.05Å; L215-C217 PolarHBondContact O-N 3.2Å; L215-L218 HydrophobicContact CD2-CD1 4.43Å; L215-L218 PolarHBondContact O-N 3.28Å; L215-F219 HydrophobicContact CB-CE2 4.3Å; L215-F219 WeakPolarHBondContact O-CD2 3.33Å; L215-F219 PolarHBondContact O-N 3.41Å; L215-F237 HydrophobicContact CD2-CE1 4.25Å; L215-L240 HydrophobicContact CD2-CD1 4.03Å; L215-L248 HydrophobicContact CD2-CD2 3.53Å |
| 216 | E | 95.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 56.4 Ų | 56.4 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -57.7 | -39.5 | 173.4 | -73.6 | -177.5 | 179.1 | 0 | 0 | 112 | H212 F214 A220 | H212-E216 WeakPolarHBondContact O-CG 3.37Å; H212-E216 PolarHBondContact O-N 3.33Å; F214-E216 PolarHBondContact O-N 3.27Å; E216-A220 WeakPolarHBondContact O-CB 3.39Å; E216-A220 PolarHBondContact O-N 3.2Å |
| 217 | C | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | L178 S181 E213 F214 L215 F219 A220 L221 | L178-C217 HydrophobicContact CD2-CB 3.97Å; S181-C217 WeakPolarHBondContact CB-SG 3.37Å; S181-C217 PolarHBondContact OG-SG 3.45Å; E213-C217 WeakPolarHBondContact O-CB 3.36Å; E213-C217 PolarHBondContact O-N 2.8Å; F214-C217 WeakPolarHBondContact O-CA 3.29Å; F214-C217 VanDerWaalsContact O-CB 3.23Å; F214-C217 WeakPolarHBondContact O-CB 3.36Å; F214-C217 PolarHBondContact O-N 2.75Å; F214-C217 VanDerWaalsContact O-N 3.12Å; L215-C217 PolarHBondContact O-N 3.2Å; C217-F219 PolarHBondContact O-N 2.59Å; C217-A220 PolarHBondContact O-N 3.45Å; C217-L221 WeakPolarHBondContact O-CG 3.41Å; C217-L221 PolarHBondContact O-N 3.16Å; C217-L221 VanDerWaalsContact O-N 3.1Å |
| 218 | L | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 179.3 | -67.4 | 177.3 | 0 | 0 | 0 | 111.4 | L193 F214 L215 A220 L221 A222 V233 A236 F237 L240 | L193-L218 HydrophobicContact CD2-CD2 4.11Å; F214-L218 HydrophobicContact CD1-CD1 4.33Å; F214-L218 HydrophobicContact CD2-CD2 4.45Å; F214-L218 HydrophobicContact CD2-CG 4.17Å; F214-L218 HydrophobicContact CE1-CD1 3.97Å; F214-L218 HydrophobicContact CE1-CG 4.48Å; F214-L218 HydrophobicContact CE2-CD1 4.23Å; F214-L218 HydrophobicContact CE2-CD2 3.7Å; F214-L218 HydrophobicContact CE2-CG 3.85Å; F214-L218 HydrophobicContact CZ-CD1 3.92Å; F214-L218 HydrophobicContact CZ-CD2 3.85Å; F214-L218 HydrophobicContact CZ-CG 4.03Å; F214-L218 WeakPolarHBondContact O-CG 3.4Å; F214-L218 PolarHBondContact O-N 3.12Å; L215-L218 HydrophobicContact CD2-CD1 4.43Å; L215-L218 PolarHBondContact O-N 3.28Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.47Å; L218-L221 CarbonylContact O-C 3.6Å; L218-L221 PolarHBondContact O-N 2.95Å; L218-A222 PolarHBondContact O-N 2.9Å; L218-V233 HydrophobicContact CB-CG1 4.39Å; L218-V233 HydrophobicContact CD2-CB 4.43Å; L218-V233 HydrophobicContact CD2-CG1 4.31Å; L218-V233 HydrophobicContact CD2-CG2 4.19Å; L218-A236 HydrophobicContact CD1-CB 3.77Å; L218-A236 HydrophobicContact CD2-CB 3.59Å; L218-A236 HydrophobicContact CG-CB 4.35Å; L218-F237 HydrophobicContact CB-CE1 4.2Å; L218-F237 HydrophobicContact CB-CE2 4.27Å; L218-F237 HydrophobicContact CB-CZ 3.76Å; L218-F237 HydrophobicContact CD1-CD1 4.17Å; L218-F237 HydrophobicContact CD1-CE1 3.93Å; L218-F237 HydrophobicContact CD1-CZ 4.26Å; L218-L240 HydrophobicContact CD1-CD1 3.82Å |
| 219 | F | 96.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 58.5 Ų | 58.5 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.1 | -70.2 | -58.5 | 0 | 0 | 0 | 112.7 | L215 C217 L221 A222 F237 N251 I255 | L215-F219 HydrophobicContact CB-CE2 4.3Å; L215-F219 WeakPolarHBondContact O-CD2 3.33Å; L215-F219 PolarHBondContact O-N 3.41Å; C217-F219 PolarHBondContact O-N 2.59Å; F219-L221 PolarHBondContact O-N 2.92Å; F219-A222 WeakPolarHBondContact O-CB 3.17Å; F219-A222 PolarHBondContact O-N 3.39Å; F219-F237 HydrophobicContact CD1-CZ 4.22Å; F219-F237 HydrophobicContact CE1-CE1 4.4Å; F219-F237 AromaticContact CE1-CZ 3.91Å; F219-F237 HydrophobicContact CE1-CZ 3.91Å; F219-F237 HydrophobicContact CZ-CE1 4.31Å; F219-F237 HydrophobicContact CZ-CZ 4.25Å; F219-N251 HydrophobicContact CE2-CB 4.07Å; F219-N251 HydrophobicContact CZ-CB 3.63Å; F219-I255 HydrophobicContact CE1-CG1 3.93Å; F219-I255 HydrophobicContact CZ-CD1 4.22Å; F219-I255 HydrophobicContact CZ-CG1 3.84Å |
| 220 | A | 95.8 | Very high | 96 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.1 | -26.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E216 C217 L218 | E216-A220 WeakPolarHBondContact O-CB 3.39Å; E216-A220 PolarHBondContact O-N 3.2Å; C217-A220 PolarHBondContact O-N 3.45Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.47Å |
| 221 | L | 97 | Very high | 96.1 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -101 | 0.2 | -179.1 | -63.6 | 172.9 | 0 | 0 | 0 | 113.5 | S181 L193 C217 L218 F219 E223 D224 V229 V233 | S181-L221 WeakPolarHBondContact O-CD1 3.48Å; S181-L221 WeakPolarHBondContact O-CD2 3.49Å; L193-L221 HydrophobicContact CD1-CD1 3.73Å; L193-L221 HydrophobicContact CD2-CD1 3.95Å; L193-L221 HydrophobicContact CG-CD1 3.99Å; C217-L221 WeakPolarHBondContact O-CG 3.41Å; C217-L221 PolarHBondContact O-N 3.16Å; C217-L221 VanDerWaalsContact O-N 3.1Å; L218-L221 CarbonylContact O-C 3.6Å; L218-L221 PolarHBondContact O-N 2.95Å; F219-L221 PolarHBondContact O-N 2.92Å; L221-E223 PolarHBondContact O-N 3.31Å; L221-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L221-D224 VanDerWaalsContact O-CB 3.31Å; L221-D224 WeakPolarHBondContact O-CB 3.29Å; L221-D224 PolarHBondContact O-N 2.97Å; L221-D224 VanDerWaalsContact O-N 3.1Å; L221-V229 HydrophobicContact CB-CG1 4.2Å; L221-V229 HydrophobicContact CD1-CG1 4.42Å; L221-V229 HydrophobicContact CD2-CG1 4.35Å; L221-V233 HydrophobicContact CB-CG2 3.81Å |
| 222 | A | 94.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L218 F219 F258 R262 | L218-A222 PolarHBondContact O-N 2.9Å; F219-A222 WeakPolarHBondContact O-CB 3.17Å; F219-A222 PolarHBondContact O-N 3.39Å; A222-F258 HydrophobicContact CB-CD2 3.81Å; A222-F258 HydrophobicContact CB-CE2 3.58Å; A222-F258 HydrophobicContact CB-CZ 4.3Å; A222-F258 WeakPolarHBondContact O-CE2 3.39Å; A222-R262 PolarHBondContact O-NH2 2.87Å |
| 223 | E | 93 | Very high | 96.4 | Very high | 171 Ų | 171 | 48.9 Ų | 48.9 | 80% | 0.799 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | 20.1 | 178 | -61.1 | -170.4 | 162.6 | 0 | 0 | 113.1 | L221 | L221-E223 PolarHBondContact O-N 3.31Š|
| 224 | D | 96.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | trans | -57.1 | 142.7 | 178.3 | -159.6 | -67.3 | 0 | 0 | 0 | 111.6 | R189 L221 D226 V229 R230 | R189-D224 IonicContact CZ-OD1 2.97Å; R189-D224 IonicContact CZ-OD2 2.69Å; R189-D224 IonicContact NE-OD1 2.98Å; R189-D224 IonicContact NE-OD2 2.73Å; R189-D224 PolarHBondContact NE-OD2 3.1Å; R189-D224 VanDerWaalsContact NH2-CG 3.25Å; R189-D224 IonicContact NH2-OD1 3.33Å; R189-D224 PolarHBondContact NH2-OD1 3.47Å; R189-D224 IonicContact NH2-OD2 3.81Å; R189-D224 PolarHBondContact NH2-OD2 3.27Å; L221-D224 WeakPolarHBondContact CD2-OD2 3.49Å; L221-D224 VanDerWaalsContact O-CB 3.31Å; L221-D224 WeakPolarHBondContact O-CB 3.29Å; L221-D224 PolarHBondContact O-N 2.97Å; L221-D224 VanDerWaalsContact O-N 3.1Å; D224-D226 VanDerWaalsContact C-N 3.3Å; D224-D226 PolarHBondContact O-N 2.91Å; D224-D226 WeakPolarHBondContact OD1-CB 3.41Å; D224-D226 PolarHBondContact OD1-N 3.07Å; D224-V229 HydrophobicContact CB-CB 4.11Å; D224-V229 HydrophobicContact CB-CG1 3.75Å; D224-R230 HydrophobicContact CB-CG 4.26Å; D224-R230 VanDerWaalsContact O-CD 3.25Å; D224-R230 WeakPolarHBondContact O-CD 3.34Å; D224-R230 WeakPolarHBondContact O-CG 3.39Å; D224-R230 PolarHBondContact O-NH1 3.27Å | ||
| 225 | E | 95 | Very high | 96.4 | Very high | 187 Ų | 187 | 45.3 Ų | 45.3 | 87% | 0.874 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -69.7 | -28.8 | 179.5 | -63.4 | -174 | 166.9 | 0 | 0 | 112.1 | R230 | E225-R230 VanDerWaalsContact C-NH1 3.28Å; E225-R230 PolarHBondContact O-NH1 3.24Å |
| 226 | D | 96.6 | Very high | 96.5 | Very high | 37 Ų | 37 | 45 Ų | 45 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | trans | -82 | 125.5 | -176.6 | -173.1 | -86.9 | 0 | 0 | 0 | 112.5 | P186 D224 N228 V229 R230 | P186-D226 HydrophobicContact CB-CB 3.48Å; P186-D226 VanDerWaalsContact CB-CB 3.48Å; P186-D226 HydrophobicContact CG-CB 4.48Å; D224-D226 VanDerWaalsContact C-N 3.3Å; D224-D226 PolarHBondContact O-N 2.91Å; D224-D226 WeakPolarHBondContact OD1-CB 3.41Å; D224-D226 PolarHBondContact OD1-N 3.07Å; D226-N228 VanDerWaalsContact C-N 3.35Å; D226-N228 PolarHBondContact O-N 3.11Å; D226-N228 WeakPolarHBondContact OD1-CA 3.4Å; D226-N228 VanDerWaalsContact OD1-CB 3.3Å; D226-N228 WeakPolarHBondContact OD1-CB 3.38Å; D226-N228 PolarHBondContact OD1-N 3.04Å; D226-V229 HydrophobicContact CB-CB 4.27Å; D226-V229 HydrophobicContact CB-CG2 3.89Å; D226-V229 PolarHBondContact O-N 3.28Å; D226-V229 PolarHBondContact OD1-N 3.07Å; D226-R230 PolarHBondContact O-N 3.26Å | ||
| 227 | P | 95.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 39 Ų | 39 | 29% | 0.292 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -37 | 179.9 | -26.4 | 35.4 | 0 | 0 | 0 | 114.7 | R230 R231 I270 | P227-R230 PolarHBondContact O-N 3.37Å; P227-R231 WeakPolarHBondContact O-CB 3.15Å; P227-R231 PolarHBondContact O-N 3.24Å; P227-I270 HydrophobicContact CB-CD1 3.74Å; P227-I270 WeakPolarHBondContact O-CD1 3.35Å |
| 228 | N | 95.5 | Very high | 96.6 | Very high | 78 Ų | 78 | 39.2 Ų | 39.2 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.8 | -39.3 | -179.1 | -68.1 | -63.9 | 0 | 0 | 0 | 111.1 | D226 R231 H232 | D226-N228 VanDerWaalsContact C-N 3.35Å; D226-N228 PolarHBondContact O-N 3.11Å; D226-N228 WeakPolarHBondContact OD1-CA 3.4Å; D226-N228 VanDerWaalsContact OD1-CB 3.3Å; D226-N228 WeakPolarHBondContact OD1-CB 3.38Å; D226-N228 PolarHBondContact OD1-N 3.04Å; N228-R231 WeakPolarHBondContact O-CB 3.17Å; N228-R231 PolarHBondContact O-N 2.84Å; N228-H232 PolarHBondContact O-CD2 3.04Å; N228-H232 PolarHBondContact O-N 3.08Å |
| 229 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 173.8 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | P186 R189 L193 L221 D224 D226 R231 H232 V233 | P186-V229 HydrophobicContact CB-CG2 4.48Å; P186-V229 WeakPolarHBondContact O-CG2 3.42Å; R189-V229 HydrophobicContact CB-CG2 3.94Å; L193-V229 HydrophobicContact CD1-CG1 3.88Å; L221-V229 HydrophobicContact CB-CG1 4.2Å; L221-V229 HydrophobicContact CD1-CG1 4.42Å; L221-V229 HydrophobicContact CD2-CG1 4.35Å; D224-V229 HydrophobicContact CB-CB 4.11Å; D224-V229 HydrophobicContact CB-CG1 3.75Å; D226-V229 HydrophobicContact CB-CB 4.27Å; D226-V229 HydrophobicContact CB-CG2 3.89Å; D226-V229 PolarHBondContact O-N 3.28Å; D226-V229 PolarHBondContact OD1-N 3.07Å; V229-R231 VanDerWaalsContact C-N 3.32Å; V229-R231 PolarHBondContact O-N 2.84Å; V229-H232 PolarHBondContact O-N 3.26Å; V229-V233 WeakPolarHBondContact O-CG2 3.47Å; V229-V233 PolarHBondContact O-N 3.09Å |
| 230 | R | 97.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -38 | 177.6 | -66.5 | -161.1 | -56.2 | -75.3 | -3.1 | 112.9 | D224 E225 D226 P227 V233 C234 E265 I270 | D224-R230 HydrophobicContact CB-CG 4.26Å; D224-R230 VanDerWaalsContact O-CD 3.25Å; D224-R230 WeakPolarHBondContact O-CD 3.34Å; D224-R230 WeakPolarHBondContact O-CG 3.39Å; D224-R230 PolarHBondContact O-NH1 3.27Å; E225-R230 VanDerWaalsContact C-NH1 3.28Å; E225-R230 PolarHBondContact O-NH1 3.24Å; D226-R230 PolarHBondContact O-N 3.26Å; P227-R230 PolarHBondContact O-N 3.37Å; R230-V233 WeakPolarHBondContact O-CB 3.23Å; R230-V233 PolarHBondContact O-N 3.49Å; R230-C234 PolarHBondContact O-N 2.94Å; R230-C234 PolarHBondContact O-SG 3.05Å; R230-E265 IonicContact CZ-OE1 3.33Å; R230-E265 IonicContact CZ-OE2 2.75Å; R230-E265 IonicContact NE-OE1 2.63Å; R230-E265 PolarHBondContact NE-OE1 2.98Å; R230-E265 IonicContact NE-OE2 2.73Å; R230-E265 PolarHBondContact NE-OE2 3.42Å; R230-E265 IonicContact NH2-OE1 3.8Å; R230-E265 IonicContact NH2-OE2 3.31Å; R230-E265 PolarHBondContact NH2-OE2 3.26Å; R230-I270 HydrophobicContact CB-CD1 4.03Å |
| 231 | R | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 34.4 Ų | 34.4 | 22% | 0.223 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 174.4 | -173.7 | -175.9 | 62.9 | 75.8 | 0.7 | 111.3 | P227 N228 V229 V233 C234 S235 I270 E273 | P227-R231 WeakPolarHBondContact O-CB 3.15Å; P227-R231 PolarHBondContact O-N 3.24Å; N228-R231 WeakPolarHBondContact O-CB 3.17Å; N228-R231 PolarHBondContact O-N 2.84Å; V229-R231 VanDerWaalsContact C-N 3.32Å; V229-R231 PolarHBondContact O-N 2.84Å; R231-V233 VanDerWaalsContact C-N 3.31Å; R231-V233 PolarHBondContact O-N 3.35Å; R231-C234 PolarHBondContact O-N 3.47Å; R231-S235 PolarHBondContact O-N 3.38Å; R231-I270 HydrophobicContact CB-CG1 3.96Å; R231-E273 HydrophobicContact CG-CB 4.37Å |
| 232 | H | 97.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -33.2 | 176.6 | -74.9 | -68.1 | 0 | 0 | 0 | 112.9 | S190 L193 A194 N197 N228 V229 S235 A236 | S190-H232 PolarHBondContact OG-CD2 3.47Å; S190-H232 PolarHBondContact OG-NE2 3.12Å; L193-H232 HydrophobicContact CB-CB 3.94Å; L193-H232 HydrophobicContact CD1-CB 4.16Å; A194-H232 VanDerWaalsContact CB-CE1 3.44Å; A194-H232 WeakPolarHBondContact CB-CE1 3.41Å; N197-H232 PolarHBondContact ND2-O 3.29Å; N228-H232 PolarHBondContact O-CD2 3.04Å; N228-H232 PolarHBondContact O-N 3.08Å; V229-H232 PolarHBondContact O-N 3.26Å; H232-S235 PolarHBondContact O-N 2.89Å; H232-A236 WeakPolarHBondContact O-CB 3.31Å; H232-A236 PolarHBondContact O-N 2.7Å |
| 233 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 171.9 | 173.9 | 0 | 0 | 0 | 0 | 111 | L193 L218 L221 V229 R230 R231 A236 F237 F258 | L193-V233 HydrophobicContact CD1-CG2 3.73Å; L218-V233 HydrophobicContact CB-CG1 4.39Å; L218-V233 HydrophobicContact CD2-CB 4.43Å; L218-V233 HydrophobicContact CD2-CG1 4.31Å; L218-V233 HydrophobicContact CD2-CG2 4.19Å; L221-V233 HydrophobicContact CB-CG2 3.81Å; V229-V233 WeakPolarHBondContact O-CG2 3.47Å; V229-V233 PolarHBondContact O-N 3.09Å; R230-V233 WeakPolarHBondContact O-CB 3.23Å; R230-V233 PolarHBondContact O-N 3.49Å; R231-V233 VanDerWaalsContact C-N 3.31Å; R231-V233 PolarHBondContact O-N 3.35Å; V233-A236 PolarHBondContact O-N 2.96Å; V233-F237 HydrophobicContact CG1-CD2 3.94Å; V233-F237 HydrophobicContact CG1-CE2 3.58Å; V233-F237 VanDerWaalsContact O-CD2 3.27Å; V233-F237 WeakPolarHBondContact O-CD2 3.28Å; V233-F237 PolarHBondContact O-N 3.09Å; V233-F258 HydrophobicContact CG1-CE1 4.03Å; V233-F258 HydrophobicContact CG1-CZ 3.78Å |
| 234 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 175.7 | -62 | 0 | 0 | 0 | 0 | 110.7 | R230 R231 A236 F237 V238 M259 E273 A274 | R230-C234 PolarHBondContact O-N 2.94Å; R230-C234 PolarHBondContact O-SG 3.05Å; R231-C234 PolarHBondContact O-N 3.47Å; C234-A236 VanDerWaalsContact C-N 3.29Å; C234-A236 PolarHBondContact O-N 3.37Å; C234-F237 PolarHBondContact O-N 3.35Å; C234-F237 VanDerWaalsContact O-N 3.1Å; C234-V238 WeakPolarHBondContact O-CG2 3.45Å; C234-V238 PolarHBondContact O-N 3.46Å; C234-M259 HydrophobicContact CB-CE 4.32Å; C234-M259 HydrophobicContact CB-SD 4.43Å; C234-E273 HydrophobicContact CB-CB 4.14Å; C234-E273 HydrophobicContact CB-CG 3.94Å; C234-A274 HydrophobicContact CB-CB 4.5Å |
| 235 | S | 96.9 | Very high | 96.2 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.7 | -41.8 | 178.2 | -161.1 | 0 | 0 | 0 | 0 | 112.4 | R231 H232 F237 V238 Q239 E273 | R231-S235 PolarHBondContact O-N 3.38Å; H232-S235 PolarHBondContact O-N 2.89Å; S235-F237 PolarHBondContact O-N 3.25Å; S235-V238 PolarHBondContact O-N 2.87Å; S235-Q239 WeakPolarHBondContact O-CB 3.26Å; S235-Q239 VanDerWaalsContact O-CG 3.24Å; S235-Q239 WeakPolarHBondContact O-CG 3.4Å; S235-Q239 PolarHBondContact O-N 3.49Å; S235-Q239 PolarHBondContact OG-NE2 3.18Å; S235-E273 VanDerWaalsContact CA-OE1 3.29Å; S235-E273 WeakPolarHBondContact CA-OE1 3.24Å; S235-E273 WeakPolarHBondContact CB-OE1 3.25Å; S235-E273 PolarHBondContact OG-OE1 2.74Å |
| 236 | A | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | N197 I200 F214 L218 H232 V233 C234 L240 | N197-A236 VanDerWaalsContact OD1-CB 3.27Å; N197-A236 WeakPolarHBondContact OD1-CB 3.32Å; I200-A236 HydrophobicContact CD1-CB 4.13Å; F214-A236 HydrophobicContact CE1-CB 4.41Å; F214-A236 HydrophobicContact CZ-CB 3.9Å; L218-A236 HydrophobicContact CD1-CB 3.77Å; L218-A236 HydrophobicContact CD2-CB 3.59Å; L218-A236 HydrophobicContact CG-CB 4.35Å; H232-A236 WeakPolarHBondContact O-CB 3.31Å; H232-A236 PolarHBondContact O-N 2.7Å; V233-A236 PolarHBondContact O-N 2.96Å; C234-A236 VanDerWaalsContact C-N 3.29Å; C234-A236 PolarHBondContact O-N 3.37Å; A236-L240 VanDerWaalsContact O-CB 3.24Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.42Å; A236-L240 PolarHBondContact O-N 3.05Å |
| 237 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.3 | -36.8 | 178 | -76.7 | -51.8 | 0 | 0 | 0 | 112.7 | L215 L218 F219 V233 C234 S235 L241 L248 I255 F258 M259 | L215-F237 HydrophobicContact CD2-CE1 4.25Å; L218-F237 HydrophobicContact CB-CE1 4.2Å; L218-F237 HydrophobicContact CB-CE2 4.27Å; L218-F237 HydrophobicContact CB-CZ 3.76Å; L218-F237 HydrophobicContact CD1-CD1 4.17Å; L218-F237 HydrophobicContact CD1-CE1 3.93Å; L218-F237 HydrophobicContact CD1-CZ 4.26Å; F219-F237 HydrophobicContact CD1-CZ 4.22Å; F219-F237 HydrophobicContact CE1-CE1 4.4Å; F219-F237 AromaticContact CE1-CZ 3.91Å; F219-F237 HydrophobicContact CE1-CZ 3.91Å; F219-F237 HydrophobicContact CZ-CE1 4.31Å; F219-F237 HydrophobicContact CZ-CZ 4.25Å; V233-F237 HydrophobicContact CG1-CD2 3.94Å; V233-F237 HydrophobicContact CG1-CE2 3.58Å; V233-F237 VanDerWaalsContact O-CD2 3.27Å; V233-F237 WeakPolarHBondContact O-CD2 3.28Å; V233-F237 PolarHBondContact O-N 3.09Å; C234-F237 PolarHBondContact O-N 3.35Å; C234-F237 VanDerWaalsContact O-N 3.1Å; S235-F237 PolarHBondContact O-N 3.25Å; F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.21Å; F237-L248 HydrophobicContact CD1-CD2 4.45Å; F237-I255 HydrophobicContact CB-CG2 4.32Å; F237-I255 HydrophobicContact CD1-CD1 3.89Å; F237-I255 HydrophobicContact CD1-CG1 4.1Å; F237-I255 HydrophobicContact CD1-CG2 4.07Å; F237-I255 HydrophobicContact CD2-CG2 4.42Å; F237-I255 HydrophobicContact CE1-CD1 3.76Å; F237-I255 HydrophobicContact CE1-CG1 3.79Å; F237-I255 HydrophobicContact CE1-CG2 4.49Å; F237-I255 HydrophobicContact CG-CG2 4.04Å; F237-I255 HydrophobicContact CZ-CG1 4.18Å; F237-F258 AromaticContact CD2-CD1 3.97Å; F237-F258 HydrophobicContact CD2-CD1 3.97Å; F237-F258 AromaticContact CD2-CE1 3.76Å; F237-F258 HydrophobicContact CD2-CE1 3.76Å; F237-F258 AromaticContact CE2-CD1 3.88Å; F237-F258 HydrophobicContact CE2-CD1 3.88Å; F237-F258 AromaticContact CE2-CE1 3.8Å; F237-F258 HydrophobicContact CE2-CE1 3.8Å; F237-M259 HydrophobicContact CB-CE 3.26Å; F237-M259 HydrophobicContact CD2-CE 3.86Å; F237-M259 HydrophobicContact CG-CE 3.98Å |
| 238 | V | 97.2 | Very high | 96 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -52.3 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 110 | C234 S235 L240 L241 E242 E273 E276 F277 | C234-V238 WeakPolarHBondContact O-CG2 3.45Å; C234-V238 PolarHBondContact O-N 3.46Å; S235-V238 PolarHBondContact O-N 2.87Å; V238-L240 PolarHBondContact O-N 3.32Å; V238-L241 WeakPolarHBondContact O-CB 3.35Å; V238-L241 PolarHBondContact O-N 2.9Å; V238-L241 VanDerWaalsContact O-N 3.13Å; V238-E242 PolarHBondContact O-N 3.43Å; V238-E242 VanDerWaalsContact O-N 3.12Å; V238-E273 WeakPolarHBondContact CG2-O 3.36Å; V238-E276 HydrophobicContact CG1-CB 4.23Å; V238-E276 HydrophobicContact CG1-CG 3.91Å; V238-E276 HydrophobicContact CG2-CB 4.21Å; V238-F277 HydrophobicContact CG2-CB 3.88Å |
| 239 | Q | 96.6 | Very high | 96 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | -179.8 | -65.1 | 173.3 | 33.1 | 0 | 0 | 112.1 | N197 I200 S235 L241 E242 A243 | N197-Q239 PolarHBondContact O-OE1 3.05Å; I200-Q239 HydrophobicContact CB-CB 4.01Å; I200-Q239 HydrophobicContact CD1-CB 4.04Å; I200-Q239 VanDerWaalsContact CG2-C 3.45Å; I200-Q239 HydrophobicContact CG2-CB 3.61Å; I200-Q239 WeakPolarHBondContact CG2-O 3.49Å; S235-Q239 WeakPolarHBondContact O-CB 3.26Å; S235-Q239 VanDerWaalsContact O-CG 3.24Å; S235-Q239 WeakPolarHBondContact O-CG 3.4Å; S235-Q239 PolarHBondContact O-N 3.49Å; S235-Q239 PolarHBondContact OG-NE2 3.18Å; Q239-L241 VanDerWaalsContact C-N 3.32Å; Q239-L241 PolarHBondContact O-N 3.48Å; Q239-E242 PolarHBondContact O-N 3.08Å; Q239-A243 WeakPolarHBondContact O-CB 3.42Å; Q239-A243 PolarHBondContact O-N 2.67Å |
| 240 | L | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68 | -32.9 | 176.4 | -79.2 | 168.7 | 0 | 0 | 0 | 112 | I200 F214 L215 L218 A236 V238 E242 H244 L245 L248 | I200-L240 HydrophobicContact CD1-CG 4.08Å; I200-L240 HydrophobicContact CG1-CD2 4.35Å; I200-L240 HydrophobicContact CG1-CG 4.38Å; I200-L240 HydrophobicContact CG2-CD2 3.95Å; I200-L240 HydrophobicContact CG2-CG 4.07Å; F214-L240 HydrophobicContact CD1-CD1 4.23Å; F214-L240 HydrophobicContact CE1-CD1 3.96Å; L215-L240 HydrophobicContact CD2-CD1 4.03Å; L218-L240 HydrophobicContact CD1-CD1 3.82Å; A236-L240 VanDerWaalsContact O-CB 3.24Å; A236-L240 WeakPolarHBondContact O-CB 3.36Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.42Å; A236-L240 PolarHBondContact O-N 3.05Å; V238-L240 PolarHBondContact O-N 3.32Å; L240-E242 VanDerWaalsContact C-N 3.34Å; L240-H244 HydrophobicContact CD2-CB 4.46Å; L240-H244 CarbonylContact O-C 3.59Å; L240-H244 VanDerWaalsContact O-CA 3.26Å; L240-H244 WeakPolarHBondContact O-CA 3.2Å; L240-H244 PolarHBondContact O-N 3.27Å; L240-L245 PolarHBondContact O-N 2.99Å; L240-L248 HydrophobicContact CB-CD1 3.84Å; L240-L248 HydrophobicContact CB-CD2 4Å; L240-L248 HydrophobicContact CB-CG 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.17Å |
| 241 | L | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.1 | 172.9 | 65.9 | 0 | 0 | 0 | 110.9 | F237 V238 Q239 L245 L248 F277 L281 Q284 | F237-L241 WeakPolarHBondContact O-CB 3.41Å; F237-L241 PolarHBondContact O-N 3.21Å; V238-L241 WeakPolarHBondContact O-CB 3.35Å; V238-L241 PolarHBondContact O-N 2.9Å; V238-L241 VanDerWaalsContact O-N 3.13Å; Q239-L241 VanDerWaalsContact C-N 3.32Å; Q239-L241 PolarHBondContact O-N 3.48Å; L241-L245 HydrophobicContact CD1-CD1 3.58Å; L241-L245 WeakPolarHBondContact O-CB 3.38Å; L241-L248 HydrophobicContact CB-CD1 3.93Å; L241-F277 HydrophobicContact CB-CE2 4.29Å; L241-F277 HydrophobicContact CD2-CD2 3.68Å; L241-F277 HydrophobicContact CD2-CE2 3.61Å; L241-F277 HydrophobicContact CD2-CG 4.31Å; L241-F277 HydrophobicContact CD2-CZ 4.16Å; L241-F277 HydrophobicContact CG-CE2 4.41Å; L241-L281 HydrophobicContact CD1-CD1 3.97Å; L241-L281 HydrophobicContact CD2-CB 3.7Å; L241-L281 HydrophobicContact CD2-CD1 4.39Å; L241-Q284 HydrophobicContact CD1-CG 4.25Å |
| 242 | E | 94 | Very high | 95.9 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 47% | 0.467 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -71.8 | -43.9 | 178.5 | -68.4 | 170.5 | -176 | 0 | 0 | 112.4 | V238 Q239 L240 S280 | V238-E242 PolarHBondContact O-N 3.43Å; V238-E242 VanDerWaalsContact O-N 3.12Å; Q239-E242 PolarHBondContact O-N 3.08Å; L240-E242 VanDerWaalsContact C-N 3.34Å; E242-S280 WeakPolarHBondContact OE1-CB 3.43Å; E242-S280 PolarHBondContact OE1-OG 3.23Å |
| 243 | A | 92.8 | Very high | 95.9 | Very high | 29 Ų | 29 | 33 Ų | 33 | 24% | 0.24 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -86 | -38.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I200 Q203 Q239 | I200-A243 HydrophobicContact CG2-CB 4.1Å; Q203-A243 HydrophobicContact CG-CB 4.37Å; Q239-A243 WeakPolarHBondContact O-CB 3.42Å; Q239-A243 PolarHBondContact O-N 2.67Å |
| 244 | H | 92.2 | Very high | 95.8 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -144.4 | 47.2 | -164.3 | -64.9 | -40.4 | 0 | 0 | 0 | 112.8 | L240 D246 K247 | L240-H244 HydrophobicContact CD2-CB 4.46Å; L240-H244 CarbonylContact O-C 3.59Å; L240-H244 VanDerWaalsContact O-CA 3.26Å; L240-H244 WeakPolarHBondContact O-CA 3.2Å; L240-H244 PolarHBondContact O-N 3.27Å; H244-D246 PolarHBondContact O-N 3.06Å; H244-K247 HydrophobicContact CB-CB 4.43Å; H244-K247 HydrophobicContact CB-CG 4.08Å; H244-K247 WeakPolarHBondContact O-CB 3.09Å; H244-K247 PolarHBondContact O-N 3.27Å |
| 245 | L | 94 | Very high | 95.8 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -47.7 | -38.2 | 176.9 | 169.8 | 61.5 | 0 | 0 | 0 | 112.8 | L240 L241 K247 L248 L249 Q284 V286 | L240-L245 PolarHBondContact O-N 2.99Å; L241-L245 HydrophobicContact CD1-CD1 3.58Å; L241-L245 WeakPolarHBondContact O-CB 3.38Å; L245-K247 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 3.03Å; L245-L249 HydrophobicContact CD1-CD2 4Å; L245-L249 HydrophobicContact CD1-CG 4.29Å; L245-L249 HydrophobicContact CG-CD2 4.34Å; L245-L249 HydrophobicContact CG-CG 4.34Å; L245-L249 WeakPolarHBondContact O-CG 3.25Å; L245-L249 PolarHBondContact O-N 3.29Å; L245-Q284 HydrophobicContact CD2-CB 4.13Å; L245-Q284 HydrophobicContact CD2-CG 4.14Å; L245-V286 HydrophobicContact CD1-CG2 4.15Å; L245-V286 HydrophobicContact CD2-CG1 4.43Å; L245-V286 HydrophobicContact CD2-CG2 3.74Å |
| 246 | D | 94.3 | Very high | 95.9 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57 | -32.3 | 179.7 | 71.6 | -58.3 | 0 | 0 | 0 | 113.2 | H244 | H244-D246 PolarHBondContact O-N 3.06Å |
| 247 | K | 93.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -78.5 | -27.6 | 177.1 | -55.5 | -53.8 | -178.6 | -137.3 | 0 | 112.7 | L208 V211 H244 L245 P250 | L208-K247 HydrophobicContact CD1-CD 4.49Å; L208-K247 HydrophobicContact CD1-CG 4.22Å; V211-K247 HydrophobicContact CG1-CD 4.4Å; V211-K247 HydrophobicContact CG1-CG 4.5Å; V211-K247 HydrophobicContact CG2-CB 4.17Å; V211-K247 HydrophobicContact CG2-CG 4.23Å; H244-K247 HydrophobicContact CB-CB 4.43Å; H244-K247 HydrophobicContact CB-CG 4.08Å; H244-K247 WeakPolarHBondContact O-CB 3.09Å; H244-K247 PolarHBondContact O-N 3.27Å; L245-K247 PolarHBondContact O-N 3.49Å; K247-P250 WeakPolarHBondContact O-CD 3.3Å |
| 248 | L | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.1 | -28.9 | 177.4 | -62.1 | -166 | 0 | 0 | 0 | 112.9 | L215 F237 L240 L241 L245 P250 N251 L252 I255 | L215-L248 HydrophobicContact CD2-CD2 3.53Å; F237-L248 HydrophobicContact CD1-CD2 4.45Å; L240-L248 HydrophobicContact CB-CD1 3.84Å; L240-L248 HydrophobicContact CB-CD2 4Å; L240-L248 HydrophobicContact CB-CG 4.09Å; L240-L248 HydrophobicContact CD1-CD2 4.17Å; L241-L248 HydrophobicContact CB-CD1 3.93Å; L245-L248 PolarHBondContact O-N 3.03Å; L248-P250 VanDerWaalsContact C-N 3.3Å; L248-P250 WeakPolarHBondContact O-CD 3.32Å; L248-N251 CarbonylContact O-C 3.24Å; L248-N251 PolarHBondContact O-N 2.96Å; L248-L252 PolarHBondContact O-N 3.45Å; L248-I255 HydrophobicContact CB-CD1 4.13Å; L248-I255 HydrophobicContact CD1-CD1 4.29Å; L248-I255 HydrophobicContact CD2-CD1 3.89Å; L248-I255 HydrophobicContact CG-CD1 4.34Å |
| 249 | L | 95.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 41.6 Ų | 41.6 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -43.8 | -44.2 | -176.2 | -77.6 | 177.4 | 0 | 0 | 0 | 115 | L245 N251 L252 V286 | L245-L249 HydrophobicContact CD1-CD2 4Å; L245-L249 HydrophobicContact CD1-CG 4.29Å; L245-L249 HydrophobicContact CG-CD2 4.34Å; L245-L249 HydrophobicContact CG-CG 4.34Å; L245-L249 WeakPolarHBondContact O-CG 3.25Å; L245-L249 PolarHBondContact O-N 3.29Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.99Å; L249-L252 HydrophobicContact CD2-CD2 4.23Å; L249-L252 PolarHBondContact O-N 2.78Å; L249-V286 HydrophobicContact CD2-CG1 4.41Å |
| 250 | P | 95.4 | Very high | 96 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 65% | 0.649 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -63.1 | -30.3 | -180 | -22.8 | 35.1 | 0 | 0 | 0 | 114.3 | K247 L248 | K247-P250 WeakPolarHBondContact O-CD 3.3Å; L248-P250 VanDerWaalsContact C-N 3.3Å; L248-P250 WeakPolarHBondContact O-CD 3.32Å |
| 251 | N | 95.8 | Very high | 96 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -112.2 | 4.1 | -176.4 | -50.4 | -80.2 | 0 | 0 | 0 | 112.4 | F219 L248 L249 P253 D254 I255 | F219-N251 HydrophobicContact CE2-CB 4.07Å; F219-N251 HydrophobicContact CZ-CB 3.63Å; L248-N251 CarbonylContact O-C 3.24Å; L248-N251 PolarHBondContact O-N 2.96Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.99Å; N251-P253 VanDerWaalsContact C-CD 3.41Å; N251-P253 VanDerWaalsContact C-N 3.31Å; N251-D254 PolarHBondContact O-N 3.13Å; N251-I255 HydrophobicContact CB-CD1 4.27Å; N251-I255 WeakPolarHBondContact O-CG1 3.29Å; N251-I255 PolarHBondContact O-N 3.17Å |
| 252 | L | 97.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.8 | -39.6 | -175.5 | -176.2 | 62.3 | 0 | 0 | 0 | 113.2 | L248 L249 D254 I255 I256 F277 A290 | L248-L252 PolarHBondContact O-N 3.45Å; L249-L252 HydrophobicContact CD2-CD2 4.23Å; L249-L252 PolarHBondContact O-N 2.78Å; L252-D254 PolarHBondContact O-N 3.14Å; L252-I255 PolarHBondContact O-N 3.25Å; L252-I256 HydrophobicContact CD1-CD1 4.26Å; L252-I256 HydrophobicContact CD1-CG1 4.26Å; L252-I256 HydrophobicContact CG-CD1 3.9Å; L252-I256 HydrophobicContact CG-CG1 4.38Å; L252-I256 VanDerWaalsContact O-CG1 3.25Å; L252-I256 WeakPolarHBondContact O-CG1 3.44Å; L252-I256 PolarHBondContact O-N 3.35Å; L252-F277 HydrophobicContact CD1-CZ 3.99Å; L252-A290 HydrophobicContact CD2-CB 3.77Å |
| 253 | P | 97.6 | Very high | 96.3 | Very high | 61 Ų | 61 | 41.3 Ų | 41.3 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -56.8 | -44.6 | 173.4 | -27.8 | 37.8 | 0 | 0 | 0 | 114 | N251 I256 E257 | N251-P253 VanDerWaalsContact C-CD 3.41Å; N251-P253 VanDerWaalsContact C-N 3.31Å; P253-I256 PolarHBondContact O-N 3.04Å; P253-E257 PolarHBondContact O-N 3.2Å; P253-E257 VanDerWaalsContact O-N 3.07Å |
| 254 | D | 96.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 45.8 Ų | 45.8 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.6 | -36.4 | -179.8 | -61.3 | -45 | 0 | 0 | 0 | 111.2 | N251 L252 E257 F258 | N251-D254 PolarHBondContact O-N 3.13Å; L252-D254 PolarHBondContact O-N 3.14Å; D254-E257 PolarHBondContact O-N 3.27Å; D254-F258 WeakPolarHBondContact O-CB 3.32Å; D254-F258 PolarHBondContact O-N 2.65Å |
| 255 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 174.2 | -61.8 | 167.3 | 0 | 0 | 0 | 110.5 | F219 F237 L248 N251 L252 F258 M259 F277 | F219-I255 HydrophobicContact CE1-CG1 3.93Å; F219-I255 HydrophobicContact CZ-CD1 4.22Å; F219-I255 HydrophobicContact CZ-CG1 3.84Å; F237-I255 HydrophobicContact CB-CG2 4.32Å; F237-I255 HydrophobicContact CD1-CD1 3.89Å; F237-I255 HydrophobicContact CD1-CG1 4.1Å; F237-I255 HydrophobicContact CD1-CG2 4.07Å; F237-I255 HydrophobicContact CD2-CG2 4.42Å; F237-I255 HydrophobicContact CE1-CD1 3.76Å; F237-I255 HydrophobicContact CE1-CG1 3.79Å; F237-I255 HydrophobicContact CE1-CG2 4.49Å; F237-I255 HydrophobicContact CG-CG2 4.04Å; F237-I255 HydrophobicContact CZ-CG1 4.18Å; L248-I255 HydrophobicContact CB-CD1 4.13Å; L248-I255 HydrophobicContact CD1-CD1 4.29Å; L248-I255 HydrophobicContact CD2-CD1 3.89Å; L248-I255 HydrophobicContact CG-CD1 4.34Å; N251-I255 HydrophobicContact CB-CD1 4.27Å; N251-I255 WeakPolarHBondContact O-CG1 3.29Å; N251-I255 PolarHBondContact O-N 3.17Å; L252-I255 PolarHBondContact O-N 3.25Å; I255-F258 WeakPolarHBondContact O-CB 3.33Å; I255-F258 PolarHBondContact O-N 3.09Å; I255-M259 HydrophobicContact CG2-CG 4.25Å; I255-M259 WeakPolarHBondContact O-CB 3.37Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.21Å; I255-M259 PolarHBondContact O-N 3.32Å; I255-F277 HydrophobicContact CG2-CE2 3.66Å; I255-F277 HydrophobicContact CG2-CZ 3.68Å |
| 256 | I | 98.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.5 | -71.7 | 162.9 | 0 | 0 | 0 | 110.7 | L252 P253 F258 M259 L260 F277 W278 L281 A290 L291 Y294 | L252-I256 HydrophobicContact CD1-CD1 4.26Å; L252-I256 HydrophobicContact CD1-CG1 4.26Å; L252-I256 HydrophobicContact CG-CD1 3.9Å; L252-I256 HydrophobicContact CG-CG1 4.38Å; L252-I256 VanDerWaalsContact O-CG1 3.25Å; L252-I256 WeakPolarHBondContact O-CG1 3.44Å; L252-I256 PolarHBondContact O-N 3.35Å; P253-I256 PolarHBondContact O-N 3.04Å; I256-F258 VanDerWaalsContact C-N 3.31Å; I256-F258 PolarHBondContact O-N 3.19Å; I256-M259 PolarHBondContact O-N 3.34Å; I256-L260 HydrophobicContact CG2-CD1 4.08Å; I256-L260 HydrophobicContact CG2-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CB 3.36Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 3.03Å; I256-F277 HydrophobicContact CG1-CE1 4.12Å; I256-F277 HydrophobicContact CG1-CZ 4.44Å; I256-W278 HydrophobicContact CG1-CZ3 4.41Å; I256-W278 HydrophobicContact CG2-CH2 4.09Å; I256-W278 HydrophobicContact CG2-CZ3 4.12Å; I256-L281 HydrophobicContact CD1-CD2 4.38Å; I256-L281 HydrophobicContact CG1-CD2 4.35Å; I256-A290 HydrophobicContact CD1-CB 4.28Å; I256-L291 HydrophobicContact CD1-CD2 4.11Å; I256-L291 HydrophobicContact CG1-CD2 4.33Å; I256-L291 HydrophobicContact CG2-CD2 4.3Å; I256-Y294 HydrophobicContact CB-CE2 4.38Å; I256-Y294 HydrophobicContact CD1-CD2 4.2Å; I256-Y294 HydrophobicContact CD1-CE2 4.01Å; I256-Y294 HydrophobicContact CG2-CD1 3.83Å; I256-Y294 HydrophobicContact CG2-CD2 3.63Å; I256-Y294 HydrophobicContact CG2-CE1 4.12Å; I256-Y294 HydrophobicContact CG2-CE2 3.92Å; I256-Y294 HydrophobicContact CG2-CG 3.57Å |
| 257 | E | 97.8 | Very high | 96.3 | Very high | 72 Ų | 72 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.1 | -75.1 | -68 | 176.2 | 0 | 0 | 112 | P253 D254 L260 L261 Y294 R297 | P253-E257 PolarHBondContact O-N 3.2Å; P253-E257 VanDerWaalsContact O-N 3.07Å; D254-E257 PolarHBondContact O-N 3.27Å; E257-L260 PolarHBondContact O-N 3.35Å; E257-L261 PolarHBondContact O-N 2.91Å; E257-Y294 HydrophobicContact CG-CE1 4.13Å; E257-Y294 VanDerWaalsContact OE1-CE1 3.31Å; E257-Y294 WeakPolarHBondContact OE1-CE1 3.36Å; E257-R297 IonicContact OE1-CZ 2.78Å; E257-R297 IonicContact OE1-NH1 2.79Å; E257-R297 PolarHBondContact OE1-NH1 2.97Å; E257-R297 IonicContact OE1-NH2 3.61Å; E257-R297 IonicContact OE2-CZ 3.65Å; E257-R297 VanDerWaalsContact OE2-CZ 3.27Å; E257-R297 IonicContact OE2-NH1 3.67Å; E257-R297 PolarHBondContact OE2-NH1 3.32Å; E257-R297 IonicContact OE2-NH2 2.8Å; E257-R297 PolarHBondContact OE2-NH2 3.43Å |
| 258 | F | 97.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 10% | 0.101 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -51.7 | 174.1 | 170.1 | -104.3 | 0 | 0 | 0 | 111.8 | A222 V233 F237 D254 I255 I256 L260 L261 R262 | A222-F258 HydrophobicContact CB-CD2 3.81Å; A222-F258 HydrophobicContact CB-CE2 3.58Å; A222-F258 HydrophobicContact CB-CZ 4.3Å; A222-F258 WeakPolarHBondContact O-CE2 3.39Å; V233-F258 HydrophobicContact CG1-CE1 4.03Å; V233-F258 HydrophobicContact CG1-CZ 3.78Å; F237-F258 AromaticContact CD2-CD1 3.97Å; F237-F258 HydrophobicContact CD2-CD1 3.97Å; F237-F258 AromaticContact CD2-CE1 3.76Å; F237-F258 HydrophobicContact CD2-CE1 3.76Å; F237-F258 AromaticContact CE2-CD1 3.88Å; F237-F258 HydrophobicContact CE2-CD1 3.88Å; F237-F258 AromaticContact CE2-CE1 3.8Å; F237-F258 HydrophobicContact CE2-CE1 3.8Å; D254-F258 WeakPolarHBondContact O-CB 3.32Å; D254-F258 PolarHBondContact O-N 2.65Å; I255-F258 WeakPolarHBondContact O-CB 3.33Å; I255-F258 PolarHBondContact O-N 3.09Å; I256-F258 VanDerWaalsContact C-N 3.31Å; I256-F258 PolarHBondContact O-N 3.19Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 3.41Å; F258-L261 WeakPolarHBondContact O-CB 3.35Å; F258-L261 PolarHBondContact O-N 2.7Å; F258-L261 VanDerWaalsContact O-N 3.13Å; F258-R262 HydrophobicContact CD1-CG 4.34Å; F258-R262 HydrophobicContact CD2-CG 3.97Å; F258-R262 HydrophobicContact CE1-CG 3.9Å; F258-R262 HydrophobicContact CE2-CG 3.49Å; F258-R262 VanDerWaalsContact CE2-CG 3.49Å; F258-R262 HydrophobicContact CG-CG 4.38Å; F258-R262 HydrophobicContact CZ-CG 3.48Å; F258-R262 VanDerWaalsContact CZ-CG 3.48Å; F258-R262 WeakPolarHBondContact O-CG 3.35Å; F258-R262 PolarHBondContact O-N 3.4Å |
| 259 | M | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | -178.7 | -70.5 | -62.8 | -169.3 | 0 | 0 | 112.3 | C234 F237 I255 I256 L261 R262 T263 A274 F277 W278 | C234-M259 HydrophobicContact CB-CE 4.32Å; C234-M259 HydrophobicContact CB-SD 4.43Å; F237-M259 HydrophobicContact CB-CE 3.26Å; F237-M259 HydrophobicContact CD2-CE 3.86Å; F237-M259 HydrophobicContact CG-CE 3.98Å; I255-M259 HydrophobicContact CG2-CG 4.25Å; I255-M259 WeakPolarHBondContact O-CB 3.37Å; I255-M259 VanDerWaalsContact O-CG 3.29Å; I255-M259 WeakPolarHBondContact O-CG 3.21Å; I255-M259 PolarHBondContact O-N 3.32Å; I256-M259 PolarHBondContact O-N 3.34Å; M259-L261 PolarHBondContact O-N 2.94Å; M259-R262 PolarHBondContact O-N 3.08Å; M259-T263 WeakPolarHBondContact O-CB 3.28Å; M259-T263 PolarHBondContact O-N 3.49Å; M259-T263 PolarHBondContact O-OG1 3.03Å; M259-A274 HydrophobicContact SD-CB 3.97Å; M259-F277 HydrophobicContact CB-CD1 3.83Å; M259-F277 HydrophobicContact CB-CE1 4.27Å; M259-F277 HydrophobicContact CB-CG 4.25Å; M259-F277 HydrophobicContact CE-CB 4.01Å; M259-F277 HydrophobicContact CE-CD2 3.73Å; M259-F277 HydrophobicContact CE-CE2 4.41Å; M259-F277 HydrophobicContact CE-CG 3.96Å; M259-F277 HydrophobicContact CG-CB 4.04Å; M259-F277 HydrophobicContact CG-CD1 3.64Å; M259-F277 HydrophobicContact CG-CD2 4.02Å; M259-F277 HydrophobicContact CG-CE1 4.04Å; M259-F277 HydrophobicContact CG-CE2 4.37Å; M259-F277 HydrophobicContact CG-CG 3.63Å; M259-F277 HydrophobicContact CG-CZ 4.38Å; M259-F277 HydrophobicContact SD-CB 4.02Å; M259-F277 HydrophobicContact SD-CG 4.18Å; M259-W278 VanDerWaalsContact C-CZ2 3.41Å; M259-W278 HydrophobicContact CB-CH2 3.51Å; M259-W278 HydrophobicContact CB-CZ2 3.48Å; M259-W278 VanDerWaalsContact CB-CZ2 3.48Å; M259-W278 HydrophobicContact CB-CZ3 4.39Å |
| 260 | L | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -38.3 | 175.2 | -82.3 | 172.2 | 0 | 0 | 0 | 111.5 | I256 E257 F258 Q264 W278 Y294 L298 | I256-L260 HydrophobicContact CG2-CD1 4.08Å; I256-L260 HydrophobicContact CG2-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CB 3.36Å; I256-L260 WeakPolarHBondContact O-CG 3.44Å; I256-L260 PolarHBondContact O-N 3.03Å; E257-L260 PolarHBondContact O-N 3.35Å; F258-L260 VanDerWaalsContact C-N 3.32Å; F258-L260 PolarHBondContact O-N 3.41Å; L260-Q264 PolarHBondContact O-NE2 3.45Å; L260-W278 HydrophobicContact CB-CZ2 4.4Å; L260-W278 HydrophobicContact CD2-CH2 4.07Å; L260-W278 HydrophobicContact CD2-CZ2 3.93Å; L260-W278 HydrophobicContact CG-CH2 3.76Å; L260-W278 HydrophobicContact CG-CZ2 3.93Å; L260-Y294 HydrophobicContact CD1-CD1 3.98Å; L260-Y294 HydrophobicContact CD1-CG 4.43Å; L260-L298 HydrophobicContact CD2-CB 3.95Å; L260-L298 HydrophobicContact CD2-CD1 3.78Å; L260-L298 HydrophobicContact CD2-CG 4.45Å |
| 261 | L | 97.2 | Very high | 95.9 | Very high | 96 Ų | 96 | 46.4 Ų | 46.4 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71 | -46.3 | 174.8 | -179.9 | 62.9 | 0 | 0 | 0 | 111.2 | E257 F258 M259 T263 Q264 | E257-L261 PolarHBondContact O-N 2.91Å; F258-L261 WeakPolarHBondContact O-CB 3.35Å; F258-L261 PolarHBondContact O-N 2.7Å; F258-L261 VanDerWaalsContact O-N 3.13Å; M259-L261 PolarHBondContact O-N 2.94Å; L261-T263 PolarHBondContact O-N 2.94Å; L261-Q264 PolarHBondContact O-N 3.24Å |
| 262 | R | 97.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.1 | -31.3 | -174.9 | -61.3 | -57.8 | 143.8 | -164.8 | -0.1 | 114.3 | A222 F258 M259 Q264 E265 I270 S271 A274 | A222-R262 PolarHBondContact O-NH2 2.87Å; F258-R262 HydrophobicContact CD1-CG 4.34Å; F258-R262 HydrophobicContact CD2-CG 3.97Å; F258-R262 HydrophobicContact CE1-CG 3.9Å; F258-R262 HydrophobicContact CE2-CG 3.49Å; F258-R262 VanDerWaalsContact CE2-CG 3.49Å; F258-R262 HydrophobicContact CG-CG 4.38Å; F258-R262 HydrophobicContact CZ-CG 3.48Å; F258-R262 VanDerWaalsContact CZ-CG 3.48Å; F258-R262 WeakPolarHBondContact O-CG 3.35Å; F258-R262 PolarHBondContact O-N 3.4Å; M259-R262 PolarHBondContact O-N 3.08Å; R262-Q264 PolarHBondContact O-N 3.35Å; R262-Q264 VanDerWaalsContact O-N 3.13Å; R262-E265 WeakPolarHBondContact CD-OE1 3.41Å; R262-E265 IonicContact CZ-OE1 3.01Å; R262-E265 IonicContact NE-OE1 3.6Å; R262-E265 IonicContact NH1-OE1 3.61Å; R262-E265 PolarHBondContact NH1-OE1 2.97Å; R262-E265 WeakPolarHBondContact O-CB 3.32Å; R262-E265 PolarHBondContact O-N 2.66Å; R262-I270 HydrophobicContact CB-CG2 4.14Å; R262-S271 WeakPolarHBondContact O-CA 3.46Å; R262-A274 HydrophobicContact CB-CB 3.58Å |
| 263 | T | 97.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.2 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | M259 L261 S271 C275 W278 V301 | M259-T263 WeakPolarHBondContact O-CB 3.28Å; M259-T263 PolarHBondContact O-N 3.49Å; M259-T263 PolarHBondContact O-OG1 3.03Å; L261-T263 PolarHBondContact O-N 2.94Å; T263-S271 WeakPolarHBondContact O-CB 3.26Å; T263-C275 HydrophobicContact CG2-CB 4.01Å; T263-W278 PolarHBondContact OG1-NE1 3.1Å; T263-V301 HydrophobicContact CG2-CG1 3.48Å; T263-V301 VanDerWaalsContact CG2-CG1 3.48Å |
| 264 | Q | 96.4 | Very high | 95.8 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 58% | 0.575 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 9.9 | 178.9 | -63.9 | 175.5 | 87.5 | 0 | 0 | 113.1 | L260 L261 R262 V301 | L260-Q264 PolarHBondContact O-NE2 3.45Å; L261-Q264 PolarHBondContact O-N 3.24Å; R262-Q264 PolarHBondContact O-N 3.35Å; R262-Q264 VanDerWaalsContact O-N 3.13Å; Q264-V301 VanDerWaalsContact CD-CG2 3.45Å; Q264-V301 HydrophobicContact CG-CB 4.36Å; Q264-V301 HydrophobicContact CG-CG1 3.74Å; Q264-V301 HydrophobicContact CG-CG2 3.77Å |
| 265 | E | 93.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | trans | -65.4 | 153 | 175 | -83.5 | -156.4 | -147.2 | 0 | 0 | 112.7 | R230 R262 D267 I270 | R230-E265 IonicContact CZ-OE1 3.33Å; R230-E265 IonicContact CZ-OE2 2.75Å; R230-E265 IonicContact NE-OE1 2.63Å; R230-E265 PolarHBondContact NE-OE1 2.98Å; R230-E265 IonicContact NE-OE2 2.73Å; R230-E265 PolarHBondContact NE-OE2 3.42Å; R230-E265 IonicContact NH2-OE1 3.8Å; R230-E265 IonicContact NH2-OE2 3.31Å; R230-E265 PolarHBondContact NH2-OE2 3.26Å; R262-E265 WeakPolarHBondContact CD-OE1 3.41Å; R262-E265 IonicContact CZ-OE1 3.01Å; R262-E265 IonicContact NE-OE1 3.6Å; R262-E265 IonicContact NH1-OE1 3.61Å; R262-E265 PolarHBondContact NH1-OE1 2.97Å; R262-E265 WeakPolarHBondContact O-CB 3.32Å; R262-E265 PolarHBondContact O-N 2.66Å; E265-D267 VanDerWaalsContact C-N 3.3Å; E265-I270 HydrophobicContact CB-CB 4.39Å; E265-I270 HydrophobicContact CB-CG2 4.23Å; E265-I270 HydrophobicContact CG-CG2 4.22Å; E265-I270 WeakPolarHBondContact OE2-CD1 3.46Å | ||
| 266 | T | 91.5 | Very high | 95.9 | Very high | 142 Ų | 142 | 41.6 Ų | 41.6 | 87% | 0.871 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -72.4 | -25.7 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 112.8 | E268 | T266-E268 PolarHBondContact O-N 3.37Š|
| 267 | D | 92.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -74.1 | 115.9 | 175 | -171.3 | -58.4 | 0 | 0 | 0 | 109.1 | E265 N269 I270 S271 | E265-D267 VanDerWaalsContact C-N 3.3Å; D267-N269 PolarHBondContact O-N 3.4Å; D267-N269 WeakPolarHBondContact OD1-CA 3.43Å; D267-N269 VanDerWaalsContact OD1-CB 3.3Å; D267-N269 WeakPolarHBondContact OD1-CB 3.37Å; D267-N269 PolarHBondContact OD1-N 3.26Å; D267-I270 HydrophobicContact CB-CB 4.22Å; D267-I270 HydrophobicContact CB-CD1 3.86Å; D267-I270 HydrophobicContact CB-CG1 4.07Å; D267-I270 PolarHBondContact O-N 3.12Å; D267-I270 PolarHBondContact OD1-N 3.38Å; D267-S271 PolarHBondContact O-N 2.96Å; D267-S271 PolarHBondContact O-OG 3.36Å |
| 268 | E | 89.8 | Confident | 95.9 | Very high | 86 Ų | 86 | 38 Ų | 38 | 40% | 0.402 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.5 | -30 | -177 | -66.3 | -172.4 | 161.9 | 0 | 0 | 112.2 | T266 S271 R272 S309 S311 | T266-E268 PolarHBondContact O-N 3.37Å; E268-S271 WeakPolarHBondContact CA-OG 3.32Å; E268-S271 PolarHBondContact O-OG 3.43Å; E268-R272 WeakPolarHBondContact O-CB 3.02Å; E268-R272 PolarHBondContact O-N 2.88Å; E268-S309 WeakPolarHBondContact OE1-CB 3.06Å; E268-S309 PolarHBondContact OE1-OG 2.94Å; E268-S311 PolarHBondContact OE2-OG 3.22Å |
| 269 | N | 91.4 | Very high | 95.8 | Very high | 85 Ų | 85 | 38 Ų | 38 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.2 | -39.8 | 178.5 | -62.2 | -61 | 0 | 0 | 0 | 111.4 | D267 E273 | D267-N269 PolarHBondContact O-N 3.4Å; D267-N269 WeakPolarHBondContact OD1-CA 3.43Å; D267-N269 VanDerWaalsContact OD1-CB 3.3Å; D267-N269 WeakPolarHBondContact OD1-CB 3.37Å; D267-N269 PolarHBondContact OD1-N 3.26Å; N269-E273 VanDerWaalsContact O-CB 3.29Å; N269-E273 WeakPolarHBondContact O-CB 3.34Å; N269-E273 PolarHBondContact O-N 3.04Å; N269-E273 VanDerWaalsContact O-N 3.07Å |
| 270 | I | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.1 | -49.3 | 176.5 | -62.8 | 171.6 | 0 | 0 | 0 | 110.5 | P227 R230 R231 R262 E265 D267 R272 E273 A274 | P227-I270 HydrophobicContact CB-CD1 3.74Å; P227-I270 WeakPolarHBondContact O-CD1 3.35Å; R230-I270 HydrophobicContact CB-CD1 4.03Å; R231-I270 HydrophobicContact CB-CG1 3.96Å; R262-I270 HydrophobicContact CB-CG2 4.14Å; E265-I270 HydrophobicContact CB-CB 4.39Å; E265-I270 HydrophobicContact CB-CG2 4.23Å; E265-I270 HydrophobicContact CG-CG2 4.22Å; E265-I270 WeakPolarHBondContact OE2-CD1 3.46Å; D267-I270 HydrophobicContact CB-CB 4.22Å; D267-I270 HydrophobicContact CB-CD1 3.86Å; D267-I270 HydrophobicContact CB-CG1 4.07Å; D267-I270 PolarHBondContact O-N 3.12Å; D267-I270 PolarHBondContact OD1-N 3.38Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.47Å; I270-E273 PolarHBondContact O-N 2.81Å; I270-A274 VanDerWaalsContact O-CB 3.29Å; I270-A274 WeakPolarHBondContact O-CB 3.39Å; I270-A274 PolarHBondContact O-N 3.24Å |
| 271 | S | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | -178.7 | 51.8 | 0 | 0 | 0 | 0 | 111.8 | R262 T263 D267 E268 C275 | R262-S271 WeakPolarHBondContact O-CA 3.46Å; T263-S271 WeakPolarHBondContact O-CB 3.26Å; D267-S271 PolarHBondContact O-N 2.96Å; D267-S271 PolarHBondContact O-OG 3.36Å; E268-S271 WeakPolarHBondContact CA-OG 3.32Å; E268-S271 PolarHBondContact O-OG 3.43Å; S271-C275 VanDerWaalsContact O-CB 3.26Å; S271-C275 WeakPolarHBondContact O-CB 3.29Å; S271-C275 PolarHBondContact O-N 3.44Å |
| 272 | R | 94.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -50.1 | 172.1 | -176.5 | -173.3 | 58.3 | 63.5 | -0.7 | 111.7 | E268 I270 A274 C275 E276 W362 L364 | E268-R272 WeakPolarHBondContact O-CB 3.02Å; E268-R272 PolarHBondContact O-N 2.88Å; I270-R272 VanDerWaalsContact C-N 3.33Å; I270-R272 PolarHBondContact O-N 3.47Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 2.83Å; R272-C275 WeakPolarHBondContact O-CB 3.46Å; R272-C275 PolarHBondContact O-N 3.1Å; R272-C275 VanDerWaalsContact O-N 3.14Å; R272-E276 PolarHBondContact O-N 2.98Å; R272-E276 VanDerWaalsContact O-N 3.11Å; R272-W362 WeakPolarHBondContact CD-O 3.41Å; R272-L364 HydrophobicContact CB-CB 4.44Å |
| 273 | E | 95.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.8 | -39.7 | -179.3 | -161.4 | 71.5 | -167.4 | 0 | 0 | 112.1 | R231 C234 S235 V238 N269 I270 C275 E276 | R231-E273 HydrophobicContact CG-CB 4.37Å; C234-E273 HydrophobicContact CB-CB 4.14Å; C234-E273 HydrophobicContact CB-CG 3.94Å; S235-E273 VanDerWaalsContact CA-OE1 3.29Å; S235-E273 WeakPolarHBondContact CA-OE1 3.24Å; S235-E273 WeakPolarHBondContact CB-OE1 3.25Å; S235-E273 PolarHBondContact OG-OE1 2.74Å; V238-E273 WeakPolarHBondContact CG2-O 3.36Å; N269-E273 VanDerWaalsContact O-CB 3.29Å; N269-E273 WeakPolarHBondContact O-CB 3.34Å; N269-E273 PolarHBondContact O-N 3.04Å; N269-E273 VanDerWaalsContact O-N 3.07Å; I270-E273 PolarHBondContact O-N 2.81Å; E273-C275 VanDerWaalsContact C-N 3.32Å; E273-E276 WeakPolarHBondContact O-CB 3.18Å; E273-E276 PolarHBondContact O-N 2.84Å |
| 274 | A | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.2 | -30.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C234 M259 R262 I270 R272 E276 F277 | C234-A274 HydrophobicContact CB-CB 4.5Å; M259-A274 HydrophobicContact SD-CB 3.97Å; R262-A274 HydrophobicContact CB-CB 3.58Å; I270-A274 VanDerWaalsContact O-CB 3.29Å; I270-A274 WeakPolarHBondContact O-CB 3.39Å; I270-A274 PolarHBondContact O-N 3.24Å; R272-A274 VanDerWaalsContact C-N 3.34Å; R272-A274 PolarHBondContact O-N 2.83Å; A274-E276 VanDerWaalsContact C-N 3.32Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.5Å |
| 275 | C | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -34.2 | 175.3 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | T263 S271 R272 E273 F277 W278 L364 C367 S368 | T263-C275 HydrophobicContact CG2-CB 4.01Å; S271-C275 VanDerWaalsContact O-CB 3.26Å; S271-C275 WeakPolarHBondContact O-CB 3.29Å; S271-C275 PolarHBondContact O-N 3.44Å; R272-C275 WeakPolarHBondContact O-CB 3.46Å; R272-C275 PolarHBondContact O-N 3.1Å; R272-C275 VanDerWaalsContact O-N 3.14Å; E273-C275 VanDerWaalsContact C-N 3.32Å; C275-F277 PolarHBondContact O-N 2.93Å; C275-W278 WeakPolarHBondContact O-CB 3.13Å; C275-W278 PolarHBondContact O-N 2.69Å; C275-L364 HydrophobicContact CB-CD1 3.52Å; C275-C367 HydrophobicContact CB-CB 4.4Å; C275-S368 PolarHBondContact SG-OG 3.18Å |
| 276 | E | 97.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -34.7 | 177 | -159.9 | 65.5 | -157.9 | 0 | 0 | 111.4 | V238 R272 E273 A274 W278 L279 S280 W362 C367 | V238-E276 HydrophobicContact CG1-CB 4.23Å; V238-E276 HydrophobicContact CG1-CG 3.91Å; V238-E276 HydrophobicContact CG2-CB 4.21Å; R272-E276 PolarHBondContact O-N 2.98Å; R272-E276 VanDerWaalsContact O-N 3.11Å; E273-E276 WeakPolarHBondContact O-CB 3.18Å; E273-E276 PolarHBondContact O-N 2.84Å; A274-E276 VanDerWaalsContact C-N 3.32Å; E276-W278 PolarHBondContact O-N 2.84Å; E276-W278 VanDerWaalsContact O-N 3.15Å; E276-L279 WeakPolarHBondContact O-CB 3.13Å; E276-L279 PolarHBondContact O-N 3.43Å; E276-S280 PolarHBondContact O-N 3.05Å; E276-S280 PolarHBondContact O-OG 2.92Å; E276-W362 PolarHBondContact OE2-NE1 3.28Å; E276-C367 PolarHBondContact N-SG 2.88Å; E276-C367 VanDerWaalsContact N-SG 3.43Å; E276-C367 PolarHBondContact OE2-SG 3.33Å |
| 277 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.7 | -36.1 | 174.9 | -178.3 | -95.4 | 0 | 0 | 0 | 113 | V238 L241 L252 I255 I256 M259 A274 C275 L281 | V238-F277 HydrophobicContact CG2-CB 3.88Å; L241-F277 HydrophobicContact CB-CE2 4.29Å; L241-F277 HydrophobicContact CD2-CD2 3.68Å; L241-F277 HydrophobicContact CD2-CE2 3.61Å; L241-F277 HydrophobicContact CD2-CG 4.31Å; L241-F277 HydrophobicContact CD2-CZ 4.16Å; L241-F277 HydrophobicContact CG-CE2 4.41Å; L252-F277 HydrophobicContact CD1-CZ 3.99Å; I255-F277 HydrophobicContact CG2-CE2 3.66Å; I255-F277 HydrophobicContact CG2-CZ 3.68Å; I256-F277 HydrophobicContact CG1-CE1 4.12Å; I256-F277 HydrophobicContact CG1-CZ 4.44Å; M259-F277 HydrophobicContact CB-CD1 3.83Å; M259-F277 HydrophobicContact CB-CE1 4.27Å; M259-F277 HydrophobicContact CB-CG 4.25Å; M259-F277 HydrophobicContact CE-CB 4.01Å; M259-F277 HydrophobicContact CE-CD2 3.73Å; M259-F277 HydrophobicContact CE-CE2 4.41Å; M259-F277 HydrophobicContact CE-CG 3.96Å; M259-F277 HydrophobicContact CG-CB 4.04Å; M259-F277 HydrophobicContact CG-CD1 3.64Å; M259-F277 HydrophobicContact CG-CD2 4.02Å; M259-F277 HydrophobicContact CG-CE1 4.04Å; M259-F277 HydrophobicContact CG-CE2 4.37Å; M259-F277 HydrophobicContact CG-CG 3.63Å; M259-F277 HydrophobicContact CG-CZ 4.38Å; M259-F277 HydrophobicContact SD-CB 4.02Å; M259-F277 HydrophobicContact SD-CG 4.18Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.5Å; C275-F277 PolarHBondContact O-N 2.93Å; F277-L281 HydrophobicContact CE1-CB 4.49Å; F277-L281 HydrophobicContact CE1-CD2 3.79Å; F277-L281 HydrophobicContact CZ-CD2 4.23Å; F277-L281 WeakPolarHBondContact O-CB 3.39Å; F277-L281 PolarHBondContact O-N 3.45Å |
| 278 | W | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 178.5 | -51 | 122.7 | 0 | 0 | 0 | 112 | I256 M259 L260 T263 C275 E276 S282 L291 L298 L302 A371 | I256-W278 HydrophobicContact CG1-CZ3 4.41Å; I256-W278 HydrophobicContact CG2-CH2 4.09Å; I256-W278 HydrophobicContact CG2-CZ3 4.12Å; M259-W278 VanDerWaalsContact C-CZ2 3.41Å; M259-W278 HydrophobicContact CB-CH2 3.51Å; M259-W278 HydrophobicContact CB-CZ2 3.48Å; M259-W278 VanDerWaalsContact CB-CZ2 3.48Å; M259-W278 HydrophobicContact CB-CZ3 4.39Å; L260-W278 HydrophobicContact CB-CZ2 4.4Å; L260-W278 HydrophobicContact CD2-CH2 4.07Å; L260-W278 HydrophobicContact CD2-CZ2 3.93Å; L260-W278 HydrophobicContact CG-CH2 3.76Å; L260-W278 HydrophobicContact CG-CZ2 3.93Å; T263-W278 PolarHBondContact OG1-NE1 3.1Å; C275-W278 WeakPolarHBondContact O-CB 3.13Å; C275-W278 PolarHBondContact O-N 2.69Å; E276-W278 PolarHBondContact O-N 2.84Å; E276-W278 VanDerWaalsContact O-N 3.15Å; W278-S282 WeakPolarHBondContact O-CB 3.39Å; W278-S282 PolarHBondContact O-N 2.9Å; W278-S282 PolarHBondContact O-OG 3.24Å; W278-L291 HydrophobicContact CE3-CD2 4.2Å; W278-L291 HydrophobicContact CZ3-CD2 3.92Å; W278-L298 HydrophobicContact CD2-CD1 3.57Å; W278-L298 HydrophobicContact CD2-CD2 4.16Å; W278-L298 HydrophobicContact CE3-CD1 4.05Å; W278-L298 HydrophobicContact CE3-CD2 3.92Å; W278-L298 HydrophobicContact CG-CD1 3.9Å; W278-L298 HydrophobicContact CH2-CD1 4.4Å; W278-L298 HydrophobicContact CZ2-CD1 3.93Å; W278-L298 HydrophobicContact CZ3-CD1 4.45Å; W278-L298 HydrophobicContact CZ3-CD2 4.4Å; W278-L302 HydrophobicContact CB-CD2 4.42Å; W278-L302 HydrophobicContact CG-CD2 4.23Å; W278-A371 HydrophobicContact CB-CB 3.98Å |
| 279 | L | 96.2 | Very high | 96.1 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -54.1 | 174.9 | -177.3 | 57 | 0 | 0 | 0 | 109.5 | E276 L281 S282 E283 W362 A370 A371 V374 | E276-L279 WeakPolarHBondContact O-CB 3.13Å; E276-L279 PolarHBondContact O-N 3.43Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.92Å; L279-S282 PolarHBondContact O-N 3.4Å; L279-S282 PolarHBondContact O-OG 3.32Å; L279-E283 PolarHBondContact O-N 3Å; L279-W362 HydrophobicContact CD2-CH2 4.43Å; L279-W362 HydrophobicContact CD2-CZ2 3.97Å; L279-A370 HydrophobicContact CD1-CB 4.14Å; L279-A370 HydrophobicContact CD2-CB 4.2Å; L279-A371 HydrophobicContact CB-CB 4.39Å; L279-V374 HydrophobicContact CD1-CG2 4.06Å |
| 280 | S | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 178.2 | -48.4 | 0 | 0 | 0 | 0 | 112.5 | E242 E276 Q284 | E242-S280 WeakPolarHBondContact OE1-CB 3.43Å; E242-S280 PolarHBondContact OE1-OG 3.23Å; E276-S280 PolarHBondContact O-N 3.05Å; E276-S280 PolarHBondContact O-OG 2.92Å; S280-Q284 WeakPolarHBondContact O-CG 3.44Å |
| 281 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.5 | -34.8 | 177.8 | -176.5 | 56.8 | 0 | 0 | 0 | 111.7 | L241 I256 F277 L279 E283 Q284 V286 C287 L291 | L241-L281 HydrophobicContact CD1-CD1 3.97Å; L241-L281 HydrophobicContact CD2-CB 3.7Å; L241-L281 HydrophobicContact CD2-CD1 4.39Å; I256-L281 HydrophobicContact CD1-CD2 4.38Å; I256-L281 HydrophobicContact CG1-CD2 4.35Å; F277-L281 HydrophobicContact CE1-CB 4.49Å; F277-L281 HydrophobicContact CE1-CD2 3.79Å; F277-L281 HydrophobicContact CZ-CD2 4.23Å; F277-L281 WeakPolarHBondContact O-CB 3.39Å; F277-L281 PolarHBondContact O-N 3.45Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.92Å; L281-E283 PolarHBondContact O-N 2.97Å; L281-Q284 HydrophobicContact CD1-CB 4.41Å; L281-Q284 WeakPolarHBondContact O-CB 3.46Å; L281-Q284 PolarHBondContact O-N 3.41Å; L281-V286 HydrophobicContact CD1-CG2 4.4Å; L281-C287 VanDerWaalsContact O-CB 3.28Å; L281-C287 WeakPolarHBondContact O-CB 3.25Å; L281-L291 HydrophobicContact CD2-CD1 3.98Å; L281-L291 HydrophobicContact CD2-CD2 3.69Å; L281-L291 HydrophobicContact CD2-CG 3.74Å; L281-L291 HydrophobicContact CG-CD1 4.3Å; L281-L291 HydrophobicContact CG-CG 4.4Å |
| 282 | S | 95.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -26.4 | -179.7 | 73 | 0 | 0 | 0 | 0 | 113.2 | W278 L279 V374 | W278-S282 WeakPolarHBondContact O-CB 3.39Å; W278-S282 PolarHBondContact O-N 2.9Å; W278-S282 PolarHBondContact O-OG 3.24Å; L279-S282 PolarHBondContact O-N 3.4Å; L279-S282 PolarHBondContact O-OG 3.32Å; S282-V374 WeakPolarHBondContact OG-CB 3.5Å; S282-V374 WeakPolarHBondContact OG-CG1 3.36Å |
| 283 | E | 92.5 | Very high | 96.6 | Very high | 134 Ų | 134 | 40.8 Ų | 40.8 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.3 | 175.9 | -62 | -176.9 | 157.9 | 0 | 0 | 113.3 | L279 L281 | L279-E283 PolarHBondContact O-N 3Å; L281-E283 PolarHBondContact O-N 2.97Å |
| 284 | Q | 95 | Very high | 96.7 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -83.3 | 143.3 | 179.8 | -60.6 | -57.5 | -42.6 | 0 | 0 | 112.4 | L241 L245 S280 L281 V286 C287 | L241-Q284 HydrophobicContact CD1-CG 4.25Å; L245-Q284 HydrophobicContact CD2-CB 4.13Å; L245-Q284 HydrophobicContact CD2-CG 4.14Å; S280-Q284 WeakPolarHBondContact O-CG 3.44Å; L281-Q284 HydrophobicContact CD1-CB 4.41Å; L281-Q284 WeakPolarHBondContact O-CB 3.46Å; L281-Q284 PolarHBondContact O-N 3.41Å; Q284-V286 HydrophobicContact CB-CG2 4.16Å; Q284-V286 PolarHBondContact O-N 3.3Å; Q284-C287 WeakPolarHBondContact O-CB 3.27Å; Q284-C287 PolarHBondContact O-N 3.31Å |
| 285 | P | 93.1 | Very high | 96.5 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 81% | 0.812 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.4 | 177.8 | -25.6 | 34 | 0 | 0 | 0 | 114.9 | C287 | P285-C287 VanDerWaalsContact C-N 3.33Š|
| 286 | V | 95.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.6 | 180 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | L245 L249 L281 Q284 H288 Q289 A290 | L245-V286 HydrophobicContact CD1-CG2 4.15Å; L245-V286 HydrophobicContact CD2-CG1 4.43Å; L245-V286 HydrophobicContact CD2-CG2 3.74Å; L249-V286 HydrophobicContact CD2-CG1 4.41Å; L281-V286 HydrophobicContact CD1-CG2 4.4Å; Q284-V286 HydrophobicContact CB-CG2 4.16Å; Q284-V286 PolarHBondContact O-N 3.3Å; V286-H288 PolarHBondContact O-N 3.5Å; V286-Q289 PolarHBondContact O-N 2.9Å; V286-Q289 VanDerWaalsContact O-N 3.13Å; V286-A290 WeakPolarHBondContact O-CB 3.45Å; V286-A290 PolarHBondContact O-N 3.38Å |
| 287 | C | 96.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -46.7 | -56 | -172.2 | 176.1 | 0 | 0 | 0 | 0 | 112.8 | L281 Q284 P285 Q289 A290 L291 V378 | L281-C287 VanDerWaalsContact O-CB 3.28Å; L281-C287 WeakPolarHBondContact O-CB 3.25Å; Q284-C287 WeakPolarHBondContact O-CB 3.27Å; Q284-C287 PolarHBondContact O-N 3.31Å; P285-C287 VanDerWaalsContact C-N 3.33Å; C287-Q289 VanDerWaalsContact C-N 3.33Å; C287-Q289 PolarHBondContact O-N 3.34Å; C287-A290 PolarHBondContact O-N 2.87Å; C287-L291 WeakPolarHBondContact O-CB 3.29Å; C287-L291 PolarHBondContact O-N 3.01Å; C287-V378 HydrophobicContact CB-CG1 4.46Å |
| 288 | H | 96.7 | Very high | 96.4 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.8 | -48.4 | -176.2 | -178.6 | -76.8 | 0 | 0 | 0 | 111.4 | V286 S292 V378 F379 | V286-H288 PolarHBondContact O-N 3.5Å; H288-S292 VanDerWaalsContact O-CB 3.3Å; H288-S292 WeakPolarHBondContact O-CB 3.36Å; H288-S292 PolarHBondContact O-N 3.37Å; H288-S292 VanDerWaalsContact O-N 3.09Å; H288-S292 PolarHBondContact O-OG 3.16Å; H288-V378 HydrophobicContact CB-CG1 3.8Å; H288-F379 AromaticContact CD2-CE1 3.97Å |
| 289 | Q | 96.6 | Very high | 96.4 | Very high | 161 Ų | 161 | 48.3 Ų | 48.3 | 75% | 0.752 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 179.8 | -178 | -179.6 | -7.9 | 0 | 0 | 111.9 | V286 C287 | V286-Q289 PolarHBondContact O-N 2.9Å; V286-Q289 VanDerWaalsContact O-N 3.13Å; C287-Q289 VanDerWaalsContact C-N 3.33Å; C287-Q289 PolarHBondContact O-N 3.34Å |
| 290 | A | 97.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L252 I256 V286 C287 P293 Y294 | L252-A290 HydrophobicContact CD2-CB 3.77Å; I256-A290 HydrophobicContact CD1-CB 4.28Å; V286-A290 WeakPolarHBondContact O-CB 3.45Å; V286-A290 PolarHBondContact O-N 3.38Å; C287-A290 PolarHBondContact O-N 2.87Å; A290-P293 WeakPolarHBondContact O-CD 3.16Å; A290-Y294 VanDerWaalsContact O-CD2 3.3Å; A290-Y294 WeakPolarHBondContact O-CD2 3.46Å; A290-Y294 WeakPolarHBondContact O-CE2 3.2Å |
| 291 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -93.5 | -15.3 | -173.8 | -70 | -176.9 | 0 | 0 | 0 | 114.7 | I256 W278 L281 C287 P293 Y294 I295 L298 L375 F379 | I256-L291 HydrophobicContact CD1-CD2 4.11Å; I256-L291 HydrophobicContact CG1-CD2 4.33Å; I256-L291 HydrophobicContact CG2-CD2 4.3Å; W278-L291 HydrophobicContact CE3-CD2 4.2Å; W278-L291 HydrophobicContact CZ3-CD2 3.92Å; L281-L291 HydrophobicContact CD2-CD1 3.98Å; L281-L291 HydrophobicContact CD2-CD2 3.69Å; L281-L291 HydrophobicContact CD2-CG 3.74Å; L281-L291 HydrophobicContact CG-CD1 4.3Å; L281-L291 HydrophobicContact CG-CG 4.4Å; C287-L291 WeakPolarHBondContact O-CB 3.29Å; C287-L291 PolarHBondContact O-N 3.01Å; L291-P293 VanDerWaalsContact C-N 3.29Å; L291-P293 VanDerWaalsContact O-N 3.16Å; L291-Y294 CarbonylContact O-C 3.46Å; L291-Y294 PolarHBondContact O-N 2.87Å; L291-I295 PolarHBondContact O-N 3.28Å; L291-L298 HydrophobicContact CD1-CD2 3.95Å; L291-L298 HydrophobicContact CD2-CD2 4.13Å; L291-L375 HydrophobicContact CD1-CD2 3.69Å; L291-F379 HydrophobicContact CB-CE2 4.23Å; L291-F379 HydrophobicContact CB-CZ 3.87Å |
| 292 | S | 96.9 | Very high | 96.6 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -43.5 | 176.4 | -75.9 | 0 | 0 | 0 | 0 | 114.2 | H288 Y294 | H288-S292 VanDerWaalsContact O-CB 3.3Å; H288-S292 WeakPolarHBondContact O-CB 3.36Å; H288-S292 PolarHBondContact O-N 3.37Å; H288-S292 VanDerWaalsContact O-N 3.09Å; H288-S292 PolarHBondContact O-OG 3.16Å; S292-Y294 PolarHBondContact O-N 2.81Å |
| 293 | P | 97 | Very high | 96.7 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19 | 179 | -17.7 | 32.9 | 0 | 0 | 0 | 114.3 | A290 L291 | A290-P293 WeakPolarHBondContact O-CD 3.16Å; L291-P293 VanDerWaalsContact C-N 3.29Å; L291-P293 VanDerWaalsContact O-N 3.16Å |
| 294 | Y | 97.7 | Very high | 96.9 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -12.5 | -168.5 | -56.3 | -78.9 | 0 | 0 | 0 | 113.4 | I256 E257 L260 A290 L291 S292 G296 R297 L298 | I256-Y294 HydrophobicContact CB-CE2 4.38Å; I256-Y294 HydrophobicContact CD1-CD2 4.2Å; I256-Y294 HydrophobicContact CD1-CE2 4.01Å; I256-Y294 HydrophobicContact CG2-CD1 3.83Å; I256-Y294 HydrophobicContact CG2-CD2 3.63Å; I256-Y294 HydrophobicContact CG2-CE1 4.12Å; I256-Y294 HydrophobicContact CG2-CE2 3.92Å; I256-Y294 HydrophobicContact CG2-CG 3.57Å; E257-Y294 HydrophobicContact CG-CE1 4.13Å; E257-Y294 VanDerWaalsContact OE1-CE1 3.31Å; E257-Y294 WeakPolarHBondContact OE1-CE1 3.36Å; L260-Y294 HydrophobicContact CD1-CD1 3.98Å; L260-Y294 HydrophobicContact CD1-CG 4.43Å; A290-Y294 VanDerWaalsContact O-CD2 3.3Å; A290-Y294 WeakPolarHBondContact O-CD2 3.46Å; A290-Y294 WeakPolarHBondContact O-CE2 3.2Å; L291-Y294 CarbonylContact O-C 3.46Å; L291-Y294 PolarHBondContact O-N 2.87Å; S292-Y294 PolarHBondContact O-N 2.81Å; Y294-G296 PolarHBondContact O-N 2.84Å; Y294-G296 VanDerWaalsContact O-N 3.1Å; Y294-R297 WeakPolarHBondContact O-CA 3.47Å; Y294-R297 PolarHBondContact O-N 3.45Å; Y294-L298 PolarHBondContact O-N 2.94Å |
| 295 | I | 95.5 | Very high | 96.9 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 10% | 0.097 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -34.8 | -171.5 | -150 | 62.3 | 0 | 0 | 0 | 113.1 | L291 R297 L298 I299 F379 F383 I386 | L291-I295 PolarHBondContact O-N 3.28Å; I295-R297 VanDerWaalsContact C-N 3.25Å; I295-R297 PolarHBondContact O-N 3.19Å; I295-L298 HydrophobicContact CD1-CD2 4.41Å; I295-L298 PolarHBondContact O-N 2.91Å; I295-I299 HydrophobicContact CD1-CG1 4.49Å; I295-I299 HydrophobicContact CG1-CD1 3.92Å; I295-I299 HydrophobicContact CG1-CG1 4.14Å; I295-I299 WeakPolarHBondContact O-CB 3.37Å; I295-I299 VanDerWaalsContact O-CG1 3.29Å; I295-I299 WeakPolarHBondContact O-CG1 3.36Å; I295-I299 PolarHBondContact O-N 3.11Å; I295-F379 HydrophobicContact CD1-CD2 3.83Å; I295-F379 HydrophobicContact CD1-CE2 3.55Å; I295-F379 HydrophobicContact CD1-CG 4.44Å; I295-F379 HydrophobicContact CD1-CZ 3.92Å; I295-F379 HydrophobicContact CG1-CD1 4.46Å; I295-F379 HydrophobicContact CG1-CD2 4.27Å; I295-F379 HydrophobicContact CG1-CE1 4.42Å; I295-F379 HydrophobicContact CG1-CE2 4.24Å; I295-F379 HydrophobicContact CG1-CG 4.38Å; I295-F379 HydrophobicContact CG1-CZ 4.32Å; I295-F383 HydrophobicContact CD1-CD2 4.23Å; I295-F383 HydrophobicContact CD1-CE2 3.69Å; I295-F383 HydrophobicContact CG1-CD2 3.93Å; I295-F383 HydrophobicContact CG1-CE2 3.83Å; I295-I386 HydrophobicContact CG2-CD1 4.2Å |
| 296 | G | 96.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -26 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y294 P300 | Y294-G296 PolarHBondContact O-N 2.84Å; Y294-G296 VanDerWaalsContact O-N 3.1Å; G296-P300 WeakPolarHBondContact O-CD 3.24Å |
| 297 | R | 97.5 | Very high | 97.1 | Very high | 126 Ų | 126 | 42.7 Ų | 42.7 | 48% | 0.475 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -95.5 | -35.9 | 174.5 | -72.1 | 169.2 | 57.7 | -157.5 | -3.5 | 112 | E257 Y294 I295 P300 V301 | E257-R297 IonicContact OE1-CZ 2.78Å; E257-R297 IonicContact OE1-NH1 2.79Å; E257-R297 PolarHBondContact OE1-NH1 2.97Å; E257-R297 IonicContact OE1-NH2 3.61Å; E257-R297 IonicContact OE2-CZ 3.65Å; E257-R297 VanDerWaalsContact OE2-CZ 3.27Å; E257-R297 IonicContact OE2-NH1 3.67Å; E257-R297 PolarHBondContact OE2-NH1 3.32Å; E257-R297 IonicContact OE2-NH2 2.8Å; E257-R297 PolarHBondContact OE2-NH2 3.43Å; Y294-R297 WeakPolarHBondContact O-CA 3.47Å; Y294-R297 PolarHBondContact O-N 3.45Å; I295-R297 VanDerWaalsContact C-N 3.25Å; I295-R297 PolarHBondContact O-N 3.19Å; R297-P300 WeakPolarHBondContact O-CD 3.39Å; R297-V301 WeakPolarHBondContact O-CG2 3.2Å |
| 298 | L | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.6 | -43.2 | -178 | -179.1 | 57 | 0 | 0 | 0 | 112.5 | L260 W278 L291 Y294 I295 V301 L302 L375 | L260-L298 HydrophobicContact CD2-CB 3.95Å; L260-L298 HydrophobicContact CD2-CD1 3.78Å; L260-L298 HydrophobicContact CD2-CG 4.45Å; W278-L298 HydrophobicContact CD2-CD1 3.57Å; W278-L298 HydrophobicContact CD2-CD2 4.16Å; W278-L298 HydrophobicContact CE3-CD1 4.05Å; W278-L298 HydrophobicContact CE3-CD2 3.92Å; W278-L298 HydrophobicContact CG-CD1 3.9Å; W278-L298 HydrophobicContact CH2-CD1 4.4Å; W278-L298 HydrophobicContact CZ2-CD1 3.93Å; W278-L298 HydrophobicContact CZ3-CD1 4.45Å; W278-L298 HydrophobicContact CZ3-CD2 4.4Å; L291-L298 HydrophobicContact CD1-CD2 3.95Å; L291-L298 HydrophobicContact CD2-CD2 4.13Å; Y294-L298 PolarHBondContact O-N 2.94Å; I295-L298 HydrophobicContact CD1-CD2 4.41Å; I295-L298 PolarHBondContact O-N 2.91Å; L298-V301 WeakPolarHBondContact O-CB 3.44Å; L298-V301 PolarHBondContact O-N 3.29Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CD2 4.29Å; L298-L302 HydrophobicContact CD1-CG 3.94Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.21Å; L298-L302 PolarHBondContact O-N 2.8Å; L298-L375 HydrophobicContact CD2-CD1 4.02Å |
| 299 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.6 | -53.2 | -179.3 | -72.5 | 166.6 | 0 | 0 | 0 | 111.8 | I295 V301 L302 V303 F383 I386 L387 L390 | I295-I299 HydrophobicContact CD1-CG1 4.49Å; I295-I299 HydrophobicContact CG1-CD1 3.92Å; I295-I299 HydrophobicContact CG1-CG1 4.14Å; I295-I299 WeakPolarHBondContact O-CB 3.37Å; I295-I299 VanDerWaalsContact O-CG1 3.29Å; I295-I299 WeakPolarHBondContact O-CG1 3.36Å; I295-I299 PolarHBondContact O-N 3.11Å; I299-V301 PolarHBondContact O-N 2.97Å; I299-L302 PolarHBondContact O-N 3.11Å; I299-V303 HydrophobicContact CG2-CG2 4.22Å; I299-V303 WeakPolarHBondContact O-CB 3.4Å; I299-V303 VanDerWaalsContact O-CG2 3.26Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; I299-V303 PolarHBondContact O-N 3.02Å; I299-F383 HydrophobicContact CD1-CD1 4.5Å; I299-F383 HydrophobicContact CD1-CD2 3.59Å; I299-F383 HydrophobicContact CD1-CE2 3.59Å; I299-F383 HydrophobicContact CD1-CG 4.06Å; I299-F383 HydrophobicContact CD1-CZ 4.08Å; I299-F383 HydrophobicContact CG1-CD2 4.02Å; I299-F383 HydrophobicContact CG1-CE1 4.31Å; I299-F383 HydrophobicContact CG1-CE2 3.45Å; I299-F383 VanDerWaalsContact CG1-CE2 3.45Å; I299-F383 HydrophobicContact CG1-CZ 3.63Å; I299-I386 HydrophobicContact CB-CG2 4.03Å; I299-I386 HydrophobicContact CD1-CB 3.93Å; I299-I386 HydrophobicContact CD1-CD1 4.15Å; I299-I386 HydrophobicContact CD1-CG2 4.01Å; I299-I386 HydrophobicContact CG2-CG2 3.97Å; I299-L387 HydrophobicContact CG2-CB 4.15Å; I299-L387 HydrophobicContact CG2-CD1 3.67Å; I299-L390 HydrophobicContact CG2-CD1 4.09Å |
| 300 | P | 98 | Very high | 96.2 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.7 | -35.9 | 175.9 | -24.1 | 28 | 0 | 0 | 0 | 114.5 | G296 R297 C304 L390 | G296-P300 WeakPolarHBondContact O-CD 3.24Å; R297-P300 WeakPolarHBondContact O-CD 3.39Å; P300-C304 VanDerWaalsContact O-CB 3.31Å; P300-C304 WeakPolarHBondContact O-CB 3.4Å; P300-C304 PolarHBondContact O-N 2.8Å; P300-L390 HydrophobicContact CB-CD1 4.21Å; P300-L390 HydrophobicContact CG-CD1 3.96Å |
| 301 | V | 98.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.2 | -49.7 | -179.3 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | T263 Q264 R297 L298 I299 C304 G305 | T263-V301 HydrophobicContact CG2-CG1 3.48Å; T263-V301 VanDerWaalsContact CG2-CG1 3.48Å; Q264-V301 VanDerWaalsContact CD-CG2 3.45Å; Q264-V301 HydrophobicContact CG-CB 4.36Å; Q264-V301 HydrophobicContact CG-CG1 3.74Å; Q264-V301 HydrophobicContact CG-CG2 3.77Å; R297-V301 WeakPolarHBondContact O-CG2 3.2Å; L298-V301 WeakPolarHBondContact O-CB 3.44Å; L298-V301 PolarHBondContact O-N 3.29Å; I299-V301 PolarHBondContact O-N 2.97Å; V301-C304 WeakPolarHBondContact O-CB 3.4Å; V301-C304 PolarHBondContact O-N 3.06Å; V301-G305 PolarHBondContact O-N 2.95Å |
| 302 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 177.2 | -63.9 | 177.9 | 0 | 0 | 0 | 111.3 | W278 L298 I299 C304 G305 M306 S368 A371 L372 L375 | W278-L302 HydrophobicContact CB-CD2 4.42Å; W278-L302 HydrophobicContact CG-CD2 4.23Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CD2 4.29Å; L298-L302 HydrophobicContact CD1-CG 3.94Å; L298-L302 HydrophobicContact CG-CD1 4Å; L298-L302 HydrophobicContact CG-CG 4.21Å; L298-L302 PolarHBondContact O-N 2.8Å; I299-L302 PolarHBondContact O-N 3.11Å; L302-C304 VanDerWaalsContact C-N 3.26Å; L302-C304 PolarHBondContact O-N 3.17Å; L302-G305 PolarHBondContact O-N 3.03Å; L302-M306 VanDerWaalsContact O-CG 3.31Å; L302-M306 WeakPolarHBondContact O-CG 3.2Å; L302-M306 PolarHBondContact O-N 3.27Å; L302-M306 VanDerWaalsContact O-N 3.13Å; L302-S368 WeakPolarHBondContact O-CB 3.48Å; L302-A371 HydrophobicContact CD1-CB 4.29Å; L302-A371 HydrophobicContact CD2-CB 4.14Å; L302-L372 HydrophobicContact CB-CD1 4.18Å; L302-L372 HydrophobicContact CD1-CD1 4.18Å; L302-L375 HydrophobicContact CD1-CD1 3.58Å |
| 303 | V | 98.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.7 | -36.8 | 177.5 | 171 | 0 | 0 | 0 | 0 | 111.8 | I299 M306 L387 L394 V409 | I299-V303 HydrophobicContact CG2-CG2 4.22Å; I299-V303 WeakPolarHBondContact O-CB 3.4Å; I299-V303 VanDerWaalsContact O-CG2 3.26Å; I299-V303 WeakPolarHBondContact O-CG2 3.4Å; I299-V303 PolarHBondContact O-N 3.02Å; V303-M306 PolarHBondContact O-N 3.05Å; V303-L387 HydrophobicContact CG2-CD1 3.53Å; V303-L394 HydrophobicContact CG1-CD1 3.46Å; V303-L394 VanDerWaalsContact CG1-CD1 3.46Å; V303-V409 HydrophobicContact CG1-CG2 4.25Å; V303-V409 HydrophobicContact CG2-CG2 4.13Å |
| 304 | C | 96.5 | Very high | 94.2 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 49% | 0.493 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.1 | -39 | 174.9 | -171 | 0 | 0 | 0 | 0 | 112.3 | P300 V301 L302 M306 K307 | P300-C304 VanDerWaalsContact O-CB 3.31Å; P300-C304 WeakPolarHBondContact O-CB 3.4Å; P300-C304 PolarHBondContact O-N 2.8Å; V301-C304 WeakPolarHBondContact O-CB 3.4Å; V301-C304 PolarHBondContact O-N 3.06Å; L302-C304 VanDerWaalsContact C-N 3.26Å; L302-C304 PolarHBondContact O-N 3.17Å; C304-M306 PolarHBondContact O-N 2.85Å; C304-K307 WeakPolarHBondContact O-CG 3.29Å |
| 305 | G | 96.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.4 | -19.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V301 L302 K307 R365 | V301-G305 PolarHBondContact O-N 2.95Å; L302-G305 PolarHBondContact O-N 3.03Å; G305-K307 VanDerWaalsContact C-N 3.3Å; G305-K307 PolarHBondContact O-N 3.41Å; G305-R365 WeakPolarHBondContact O-CA 3.41Å; G305-R365 PolarHBondContact O-N 3.07Å |
| 306 | M | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4 | 179.7 | -70.7 | 170.1 | 77.3 | 0 | 0 | 114.9 | L302 V303 C304 R365 A369 L372 L408 V409 A412 | L302-M306 VanDerWaalsContact O-CG 3.31Å; L302-M306 WeakPolarHBondContact O-CG 3.2Å; L302-M306 PolarHBondContact O-N 3.27Å; L302-M306 VanDerWaalsContact O-N 3.13Å; V303-M306 PolarHBondContact O-N 3.05Å; C304-M306 PolarHBondContact O-N 2.85Å; M306-R365 WeakPolarHBondContact O-CD 3.37Å; M306-R365 WeakPolarHBondContact O-CG 3.31Å; M306-R365 PolarHBondContact O-NH1 3.13Å; M306-A369 HydrophobicContact CE-CB 3.85Å; M306-A369 HydrophobicContact CG-CB 4.32Å; M306-L372 HydrophobicContact CE-CD2 4.07Å; M306-L372 HydrophobicContact SD-CB 4.3Å; M306-L372 HydrophobicContact SD-CD2 3.66Å; M306-L408 HydrophobicContact CB-CD2 4.16Å; M306-L408 HydrophobicContact CE-CB 4.17Å; M306-L408 HydrophobicContact CE-CD1 4.48Å; M306-L408 HydrophobicContact CE-CD2 3.67Å; M306-L408 HydrophobicContact CE-CG 3.43Å; M306-L408 VanDerWaalsContact CE-CG 3.43Å; M306-L408 HydrophobicContact CG-CD2 4.44Å; M306-V409 HydrophobicContact CE-CB 4.34Å; M306-V409 HydrophobicContact CE-CG2 3.67Å; M306-V409 HydrophobicContact SD-CG2 3.69Å; M306-A412 HydrophobicContact CE-CB 4.26Å |
| 307 | K | 95.1 | Very high | 92.1 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -75.8 | 151.8 | 172.5 | 73.7 | -170.8 | 179.4 | 179.6 | 0 | 110.8 | C304 G305 S309 | C304-K307 WeakPolarHBondContact O-CG 3.29Å; G305-K307 VanDerWaalsContact C-N 3.3Å; G305-K307 PolarHBondContact O-N 3.41Å; K307-S309 PolarHBondContact O-N 2.75Å |
| 308 | Y | 93 | Very high | 90.9 | Very high | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.071 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 134.9 | 169.2 | -71.8 | -68.2 | 0 | 0 | 0 | 110.7 | D312 M313 L316 Y358 R365 W400 E404 L442 | Y308-D312 HydrophobicContact CD1-CB 3.92Å; Y308-M313 HydrophobicContact CD2-SD 4.39Å; Y308-M313 HydrophobicContact CG-SD 4.14Å; Y308-L316 HydrophobicContact CD1-CD1 3.56Å; Y308-L316 HydrophobicContact CE1-CD1 3.31Å; Y308-L316 HydrophobicContact CG-CD1 4.33Å; Y308-Y358 WeakPolarHBondContact CD1-OH 3.48Å; Y308-Y358 HydrophobicContact CE1-CE1 4.22Å; Y308-Y358 AromaticContact CE1-CZ 3.92Å; Y308-Y358 VanDerWaalsContact CE1-OH 3.23Å; Y308-Y358 WeakPolarHBondContact CE1-OH 3.35Å; Y308-R365 VanDerWaalsContact CE2-CZ 3.5Å; Y308-R365 VanDerWaalsContact CZ-CZ 3.44Å; Y308-R365 PolarHBondContact OH-NH2 3.34Å; Y308-W400 HydrophobicContact CD2-CH2 4.49Å; Y308-W400 HydrophobicContact CD2-CZ3 4.49Å; Y308-E404 HydrophobicContact CE2-CG 4.17Å; Y308-E404 WeakPolarHBondContact CE2-OE2 3.22Å; Y308-L442 HydrophobicContact CD2-CD1 4.47Å; Y308-L442 HydrophobicContact CE2-CD1 3.96Å |
| 309 | S | 90.1 | Very high | 89.9 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 169 | 170.5 | 77.5 | 0 | 0 | 0 | 0 | 111.8 | E268 K307 S311 D312 M313 | E268-S309 WeakPolarHBondContact OE1-CB 3.06Å; E268-S309 PolarHBondContact OE1-OG 2.94Å; K307-S309 PolarHBondContact O-N 2.75Å; S309-S311 VanDerWaalsContact C-N 3.27Å; S309-S311 PolarHBondContact O-N 3.09Å; S309-S311 PolarHBondContact OG-N 2.87Å; S309-D312 PolarHBondContact N-OD2 3.41Å; S309-D312 VanDerWaalsContact N-OD2 3.13Å; S309-D312 WeakPolarHBondContact O-CB 3.17Å; S309-D312 PolarHBondContact O-N 2.91Å; S309-D312 PolarHBondContact OG-N 3.35Å; S309-D312 PolarHBondContact OG-OD1 3.19Å; S309-M313 VanDerWaalsContact O-CG 3.3Å; S309-M313 WeakPolarHBondContact O-CG 3.44Å; S309-M313 PolarHBondContact O-N 3.45Å |
| 310 | E | 88.1 | Confident | 89 | Confident | 174 Ų | 174 | 52.1 Ų | 52.1 | 81% | 0.813 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.3 | -38.3 | 173.4 | -66.5 | -173.8 | 172.8 | 0 | 0 | 111.2 | M313 V314 | E310-M313 PolarHBondContact O-N 2.82Å; E310-V314 WeakPolarHBondContact O-CG2 3.41Å; E310-V314 PolarHBondContact O-N 3.44Å; E310-V314 VanDerWaalsContact O-N 3.1Å |
| 311 | S | 86.1 | Confident | 88.2 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 173.8 | -48.4 | 0 | 0 | 0 | 0 | 111.3 | E268 S309 M313 V314 L315 | E268-S311 PolarHBondContact OE2-OG 3.22Å; S309-S311 VanDerWaalsContact C-N 3.27Å; S309-S311 PolarHBondContact O-N 3.09Å; S309-S311 PolarHBondContact OG-N 2.87Å; S311-M313 VanDerWaalsContact C-N 3.33Å; S311-M313 PolarHBondContact O-N 3.19Å; S311-V314 PolarHBondContact O-N 3.36Å; S311-L315 PolarHBondContact O-N 2.83Å |
| 312 | D | 88.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.064 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 176.3 | -64.3 | -11.9 | 0 | 0 | 0 | 111.2 | Y308 S309 V314 L315 L316 Y358 | Y308-D312 HydrophobicContact CD1-CB 3.92Å; S309-D312 PolarHBondContact N-OD2 3.41Å; S309-D312 VanDerWaalsContact N-OD2 3.13Å; S309-D312 WeakPolarHBondContact O-CB 3.17Å; S309-D312 PolarHBondContact O-N 2.91Å; S309-D312 PolarHBondContact OG-N 3.35Å; S309-D312 PolarHBondContact OG-OD1 3.19Å; D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.42Å; D312-L315 PolarHBondContact O-N 2.98Å; D312-L316 HydrophobicContact CB-CD1 4.47Å; D312-L316 WeakPolarHBondContact O-CB 3.21Å; D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.25Å; D312-L316 PolarHBondContact O-N 3.27Å; D312-Y358 HydrophobicContact CB-CD2 4.3Å; D312-Y358 HydrophobicContact CB-CE2 3.53Å; D312-Y358 VanDerWaalsContact CG-CE2 3.43Å; D312-Y358 WeakPolarHBondContact OD1-CE2 3.29Å; D312-Y358 PolarHBondContact OD2-OH 2.99Å |
| 313 | M | 88.1 | Confident | 87.1 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 21% | 0.212 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.3 | -30.4 | -177.6 | -71.6 | -56.4 | -55.8 | 0 | 0 | 113.3 | Y308 S309 E310 S311 R317 L320 W400 | Y308-M313 HydrophobicContact CD2-SD 4.39Å; Y308-M313 HydrophobicContact CG-SD 4.14Å; S309-M313 VanDerWaalsContact O-CG 3.3Å; S309-M313 WeakPolarHBondContact O-CG 3.44Å; S309-M313 PolarHBondContact O-N 3.45Å; E310-M313 PolarHBondContact O-N 2.82Å; S311-M313 VanDerWaalsContact C-N 3.33Å; S311-M313 PolarHBondContact O-N 3.19Å; M313-R317 PolarHBondContact O-N 3.11Å; M313-L320 HydrophobicContact CE-CD1 3.77Å; M313-L320 HydrophobicContact CE-CD2 4.39Å; M313-W400 HydrophobicContact CE-CH2 3.68Å; M313-W400 HydrophobicContact CE-CZ2 3.52Å; M313-W400 HydrophobicContact SD-CH2 3.78Å; M313-W400 HydrophobicContact SD-CZ2 4.08Å |
| 314 | V | 85.4 | Confident | 86.5 | Confident | 109 Ų | 109 | 62.2 Ų | 62.2 | 66% | 0.661 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.8 | -44.4 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | E310 S311 D312 R317 | E310-V314 WeakPolarHBondContact O-CG2 3.41Å; E310-V314 PolarHBondContact O-N 3.44Å; E310-V314 VanDerWaalsContact O-N 3.1Å; S311-V314 PolarHBondContact O-N 3.36Å; D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.42Å; V314-R317 WeakPolarHBondContact O-CB 3.39Å; V314-R317 PolarHBondContact O-N 3.04Å |
| 315 | L | 81.4 | Confident | 86 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 179.1 | -61.4 | 174.2 | 0 | 0 | 0 | 111.9 | S311 D312 R317 Y358 | S311-L315 PolarHBondContact O-N 2.83Å; D312-L315 PolarHBondContact O-N 2.98Å; L315-R317 PolarHBondContact O-N 3.17Å; L315-Y358 HydrophobicContact CB-CD2 4.26Å; L315-Y358 HydrophobicContact CB-CG 4.45Å; L315-Y358 HydrophobicContact CD1-CD2 4.18Å |
| 316 | L | 84.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 2.2 | 178.4 | -72.5 | 170.9 | 0 | 0 | 0 | 114.4 | Y308 D312 N318 D319 L320 Y358 L442 | Y308-L316 HydrophobicContact CD1-CD1 3.56Å; Y308-L316 HydrophobicContact CE1-CD1 3.31Å; Y308-L316 HydrophobicContact CG-CD1 4.33Å; D312-L316 HydrophobicContact CB-CD1 4.47Å; D312-L316 WeakPolarHBondContact O-CB 3.21Å; D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.25Å; D312-L316 PolarHBondContact O-N 3.27Å; L316-N318 PolarHBondContact O-N 2.96Å; L316-N318 VanDerWaalsContact O-N 3.14Å; L316-D319 HydrophobicContact CD2-CB 4.2Å; L316-D319 WeakPolarHBondContact CD2-OD2 3.45Å; L316-D319 WeakPolarHBondContact O-CB 3.43Å; L316-D319 PolarHBondContact O-N 3.14Å; L316-L320 PolarHBondContact O-N 3.22Å; L316-Y358 HydrophobicContact CD1-CD1 4.17Å; L316-Y358 HydrophobicContact CD1-CE1 3.84Å; L316-Y358 HydrophobicContact CD1-CE2 4.33Å; L316-Y358 HydrophobicContact CD2-CD1 3.38Å; L316-Y358 HydrophobicContact CD2-CE1 3.78Å; L316-Y358 HydrophobicContact CD2-CG 3.91Å; L316-Y358 HydrophobicContact CG-CD1 3.79Å; L316-Y358 HydrophobicContact CG-CD2 4.28Å; L316-Y358 HydrophobicContact CG-CE1 4.01Å; L316-Y358 HydrophobicContact CG-CE2 4.49Å; L316-Y358 HydrophobicContact CG-CG 3.93Å; L316-L442 HydrophobicContact CD1-CD1 4.35Å |
| 317 | R | 78.8 | Confident | 84.8 | Confident | 167 Ų | 167 | 75.8 Ų | 75.8 | 63% | 0.63 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -38.3 | -174.1 | -177.1 | 177.9 | 174.7 | -177.5 | -1.5 | 113.2 | M313 V314 L315 L320 | M313-R317 PolarHBondContact O-N 3.11Å; V314-R317 WeakPolarHBondContact O-CB 3.39Å; V314-R317 PolarHBondContact O-N 3.04Å; L315-R317 PolarHBondContact O-N 3.17Å; R317-L320 PolarHBondContact O-N 3.21Å |
| 318 | N | 72.4 | Confident | 84.1 | Confident | 82 Ų | 82 | 72 Ų | 72 | 44% | 0.439 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -70.1 | -34.5 | 178.3 | -59.8 | -41.3 | 0 | 0 | 0 | 111.8 | L316 L320 E321 K329 | L316-N318 PolarHBondContact O-N 2.96Å; L316-N318 VanDerWaalsContact O-N 3.14Å; N318-L320 PolarHBondContact O-N 3.14Å; N318-E321 PolarHBondContact O-N 3.24Å; N318-E321 VanDerWaalsContact O-N 3.17Å; N318-K329 PolarHBondContact ND2-NZ 2.81Å |
| 319 | D | 76.7 | Confident | 83.1 | Confident | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -69.3 | -11.6 | 179.2 | -69 | 2.4 | 0 | 0 | 0 | 113.2 | L316 N482 R484 | L316-D319 HydrophobicContact CD2-CB 4.2Å; L316-D319 WeakPolarHBondContact CD2-OD2 3.45Å; L316-D319 WeakPolarHBondContact O-CB 3.43Å; L316-D319 PolarHBondContact O-N 3.14Å; D319-N482 PolarHBondContact O-ND2 3.08Å; D319-R484 IonicContact OD2-CZ 3.58Å; D319-R484 IonicContact OD2-NE 3.5Å; D319-R484 IonicContact OD2-NH1 3.6Å; D319-R484 PolarHBondContact OD2-NH1 3.32Å |
| 320 | L | 78.7 | Confident | 81.8 | Confident | 50 Ų | 50 | 83.8 Ų | 83.8 | 26% | 0.262 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -84.8 | -12.8 | 176.1 | -61.1 | 175.7 | 0 | 0 | 0 | 113.1 | M313 L316 R317 N318 L442 | M313-L320 HydrophobicContact CE-CD1 3.77Å; M313-L320 HydrophobicContact CE-CD2 4.39Å; L316-L320 PolarHBondContact O-N 3.22Å; R317-L320 PolarHBondContact O-N 3.21Å; N318-L320 PolarHBondContact O-N 3.14Å; L320-L442 HydrophobicContact CD2-CD1 3.51Å; L320-L442 HydrophobicContact CD2-CG 3.85Å |
| 321 | E | 81.9 | Confident | 80.5 | Confident | 112 Ų | 112 | 78.7 Ų | 78.7 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -98.9 | 160.8 | -176.3 | -61.6 | -173.8 | 177 | 0 | 0 | 111.9 | N318 D323 N482 | N318-E321 PolarHBondContact O-N 3.24Å; N318-E321 VanDerWaalsContact O-N 3.17Å; E321-D323 PolarHBondContact O-N 3.28Å; E321-N482 PolarHBondContact O-ND2 3.39Å |
| 322 | E | 85.6 | Confident | 79.4 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | trans | -79.1 | 95.2 | 172.7 | -64 | -172.9 | 161.5 | 0 | 0 | 109.6 | C481 | E322-C481 CarbonylContact C-O 3.49Å; E322-C481 WeakPolarHBondContact CA-O 3.46Å; E322-C481 HydrophobicContact CB-CB 4.11Å; E322-C481 HydrophobicContact CG-CB 3.98Å; E322-C481 PolarHBondContact OE1-SG 3.4Å | ||
| 323 | D | 88 | Confident | 78.1 | Confident | 22 Ų | 22 | 81 Ų | 81 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | trans | -110.4 | 3.2 | -169 | 72.2 | -32.6 | 0 | 0 | 0 | 114 | E321 H325 L326 C481 N482 K483 | E321-D323 PolarHBondContact O-N 3.28Å; D323-H325 PolarHBondContact O-N 2.98Å; D323-L326 HydrophobicContact CB-CD1 4.05Å; D323-L326 HydrophobicContact CB-CG 4.48Å; D323-L326 WeakPolarHBondContact O-CB 3.39Å; D323-L326 PolarHBondContact O-N 3.21Å; D323-C481 PolarHBondContact N-O 3.37Å; D323-C481 VanDerWaalsContact N-O 3.16Å; D323-N482 WeakPolarHBondContact OD1-CA 3.34Å; D323-K483 WeakPolarHBondContact O-CE 2.94Å; D323-K483 PolarHBondContact OD1-N 3.23Å; D323-K483 WeakPolarHBondContact OD2-CD 3.22Å; D323-K483 WeakPolarHBondContact OD2-CG 3.19Å | ||
| 324 | A | 84.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C481 Q486 Q523 | A324-C481 VanDerWaalsContact CB-C 3.5Å; A324-C481 WeakPolarHBondContact CB-O 3.38Å; A324-C481 PolarHBondContact N-O 3Å; A324-Q486 VanDerWaalsContact CB-NE2 3.3Å; A324-Q523 PolarHBondContact O-NE2 3.02Å; A324-Q523 VanDerWaalsContact O-NE2 3.12Å |
| 325 | H | 85.4 | Confident | 74.6 | Confident | 163 Ų | 163 | 82 Ų | 82 | 76% | 0.755 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.5 | 178.9 | -61.9 | -56.8 | 0 | 0 | 0 | 114.3 | D323 | D323-H325 PolarHBondContact O-N 2.98Š|
| 326 | L | 85.4 | Confident | 73.1 | Confident | 104 Ų | 104 | 86.5 Ų | 86.5 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -79.7 | 134.9 | -179.8 | -58.2 | -178.5 | 0 | 0 | 0 | 108.7 | D323 K483 Q523 | D323-L326 HydrophobicContact CB-CD1 4.05Å; D323-L326 HydrophobicContact CB-CG 4.48Å; D323-L326 WeakPolarHBondContact O-CB 3.39Å; D323-L326 PolarHBondContact O-N 3.21Å; L326-K483 WeakPolarHBondContact O-CE 3.48Å; L326-K483 PolarHBondContact O-NZ 3.29Å; L326-Q523 VanDerWaalsContact O-CG 3.29Å; L326-Q523 WeakPolarHBondContact O-CG 3.24Å |
| 327 | P | 83.1 | Confident | 71 | Confident | 101 Ų | 101 | 93.1 Ų | 93.1 | 66% | 0.656 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 153.1 | 169 | -25.3 | 35.4 | 0 | 0 | 0 | 111.9 | K483 | P327-K483 PolarHBondContact O-NZ 3.47Š|
| 328 | D | 81.2 | Confident | 68.9 | Low | 20 Ų | 20 | 88.2 Ų | 88.2 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 147.5 | 171.7 | -60.4 | -38.3 | 0 | 0 | 0 | 110.2 | I333 K483 Q523 H524 K525 | D328-I333 HydrophobicContact CB-CD1 3.9Å; D328-I333 HydrophobicContact CB-CG1 3.73Å; D328-K483 WeakPolarHBondContact OD1-CD 3.42Å; D328-K483 IonicContact OD1-NZ 3.05Å; D328-K483 PolarHBondContact OD1-NZ 3.37Å; D328-Q523 WeakPolarHBondContact OD1-CB 3.3Å; D328-Q523 WeakPolarHBondContact OD2-CB 3.12Å; D328-H524 WeakPolarHBondContact OD2-CA 3.38Å; D328-H524 WeakPolarHBondContact OD2-CB 3.33Å; D328-H524 PolarHBondContact OD2-N 3.16Å; D328-K525 PolarHBondContact OD2-N 3.31Å |
| 329 | K | 71.9 | Confident | 67 | Low | 109 Ų | 109 | 90.9 Ų | 90.9 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 152.5 | 174.4 | -57.4 | 173.2 | -174.9 | 167.2 | 0 | 109.1 | N318 C331 D332 I333 | N318-K329 PolarHBondContact ND2-NZ 2.81Å; K329-C331 VanDerWaalsContact CB-SG 3.55Å; K329-C331 PolarHBondContact O-N 2.96Å; K329-D332 VanDerWaalsContact CB-OD2 3.31Å; K329-D332 WeakPolarHBondContact CB-OD2 3.07Å; K329-D332 PolarHBondContact N-OD2 2.91Å; K329-D332 WeakPolarHBondContact O-CA 3.3Å; K329-D332 WeakPolarHBondContact O-CB 3.43Å; K329-D332 PolarHBondContact O-N 2.61Å; K329-I333 WeakPolarHBondContact O-CD1 3.33Å; K329-I333 WeakPolarHBondContact O-CG1 3.43Å; K329-I333 PolarHBondContact O-N 3.43Å |
| 330 | E | 63.7 | Low | 64.9 | Low | 181 Ų | 181 | 91.9 Ų | 91.9 | 85% | 0.846 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -55.7 | -35.7 | 177.1 | -70.6 | 177.8 | 178 | 0 | 0 | 112.5 | D332 I333 | E330-D332 VanDerWaalsContact C-N 3.27Å; E330-D332 PolarHBondContact O-N 3.33Å; E330-I333 PolarHBondContact O-N 3.43Å |
| 331 | C | 60.3 | Low | 62.4 | Low | 68 Ų | 68 | 99.3 Ų | 99.3 | 46% | 0.459 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -65.3 | -26.2 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | K329 | K329-C331 VanDerWaalsContact CB-SG 3.55Å; K329-C331 PolarHBondContact O-N 2.96Å |
| 332 | D | 63.3 | Low | 59.7 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 31% | 0.305 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -86.1 | -15 | -178.8 | -50 | -25.1 | 0 | 0 | 0 | 111.8 | K329 E330 R334 | K329-D332 VanDerWaalsContact CB-OD2 3.31Å; K329-D332 WeakPolarHBondContact CB-OD2 3.07Å; K329-D332 PolarHBondContact N-OD2 2.91Å; K329-D332 WeakPolarHBondContact O-CA 3.3Å; K329-D332 WeakPolarHBondContact O-CB 3.43Å; K329-D332 PolarHBondContact O-N 2.61Å; E330-D332 VanDerWaalsContact C-N 3.27Å; E330-D332 PolarHBondContact O-N 3.33Å; D332-R334 VanDerWaalsContact C-N 3.32Å; D332-R334 PolarHBondContact O-N 3.04Å |
| 333 | I | 59.5 | Low | 56.8 | Low | 61 Ų | 61 | 102 Ų | 102 | 31% | 0.313 | 49% | 0.492 | S | S | . | . | trans | -91 | 13.9 | -172.5 | -67.1 | 166.2 | 0 | 0 | 0 | 111.9 | D328 K329 E330 H524 | D328-I333 HydrophobicContact CB-CD1 3.9Å; D328-I333 HydrophobicContact CB-CG1 3.73Å; K329-I333 WeakPolarHBondContact O-CD1 3.33Å; K329-I333 WeakPolarHBondContact O-CG1 3.43Å; K329-I333 PolarHBondContact O-N 3.43Å; E330-I333 PolarHBondContact O-N 3.43Å; I333-H524 VanDerWaalsContact CG2-CE1 3.4Å; I333-H524 WeakPolarHBondContact CG2-CE1 3.23Å; I333-H524 WeakPolarHBondContact CG2-ND1 3.29Å | ||
| 334 | R | 55.6 | Low | 53.9 | Low | 99 Ų | 99 | 108.4 Ų | 108.4 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | trans | -54.2 | 145.1 | -174.3 | -68.8 | -163.8 | -162.6 | 168.7 | 24.7 | 112.9 | D332 R336 D355 | D332-R334 VanDerWaalsContact C-N 3.32Å; D332-R334 PolarHBondContact O-N 3.04Å; R334-R336 PolarHBondContact O-N 3.42Å; R334-D355 VanDerWaalsContact CZ-CG 3.47Å; R334-D355 IonicContact CZ-OD1 2.72Å; R334-D355 VanDerWaalsContact CZ-OD1 3.28Å; R334-D355 IonicContact CZ-OD2 3.27Å; R334-D355 IonicContact NH1-OD1 3.73Å; R334-D355 PolarHBondContact NH1-OD1 2.91Å; R334-D355 IonicContact NH1-OD2 2.91Å; R334-D355 PolarHBondContact NH1-OD2 2.94Å; R334-D355 IonicContact NH2-OD1 3.83Å; R334-D355 PolarHBondContact NH2-OD1 3.42Å; R334-D355 IonicContact NH2-OD2 3.78Å; R334-D355 PolarHBondContact NH2-OD2 3.41Å | ||
| 335 | P | 46 | Very low | 51.1 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | trans | -56.9 | 107.3 | 172.8 | -15.9 | 27.6 | 0 | 0 | 0 | 108.3 | F337 | P335-F337 WeakPolarHBondContact O-CD2 3.47Å; P335-F337 PolarHBondContact O-N 3.17Å | ||
| 336 | R | 48.3 | Very low | 48.2 | Very low | 159 Ų | 159 | 112.2 Ų | 112.2 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | trans | -63.7 | 92.9 | 157.8 | -81.6 | -172.5 | 172.6 | 176.6 | 2.2 | 104.2 | R334 H338 E487 | R334-R336 PolarHBondContact O-N 3.42Å; R336-H338 PolarHBondContact O-N 3.33Å; R336-E487 IonicContact NH2-OE1 3.8Å; R336-E487 PolarHBondContact NH2-OE1 3.36Å | ||
| 337 | F | 41.2 | Very low | 45.7 | Very low | 139 Ų | 139 | 112.7 Ų | 112.7 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | trans | -50 | 122.6 | 172.4 | -65.8 | -84.3 | 0 | 0 | 0 | 106.5 | P335 K339 | P335-F337 WeakPolarHBondContact O-CD2 3.47Å; P335-F337 PolarHBondContact O-N 3.17Å; F337-K339 HydrophobicContact CB-CG 4.17Å; F337-K339 PolarHBondContact O-N 2.88Å | ||
| 338 | H | 34.8 | Very low | 43 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 30% | 0.296 | 56% | 0.564 | S | S | . | * | trans | -63.4 | 81.7 | 169.3 | 179.8 | 84.9 | 0 | 0 | 0 | 106.5 | R336 T340 F573 E577 | R336-H338 PolarHBondContact O-N 3.33Å; H338-T340 PolarHBondContact O-N 3.18Å; H338-F573 HydrophobicContact CB-CD2 4.46Å; H338-E577 IonicContact CE1-OE1 2.77Å; H338-E577 PolarHBondContact CE1-OE1 3.34Å; H338-E577 IonicContact ND1-OE1 2.58Å; H338-E577 PolarHBondContact ND1-OE1 3.07Å | ||
| 339 | K | 32.4 | Very low | 40.6 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | trans | -81.7 | 108.8 | 169.7 | -70.1 | -173.1 | 178.8 | -179 | 0 | 104.7 | F337 K341 | F337-K339 HydrophobicContact CB-CG 4.17Å; F337-K339 PolarHBondContact O-N 2.88Å; K339-K341 PolarHBondContact O-N 3.08Å | ||
| 340 | T | 31.8 | Very low | 38.8 | Very low | 60 Ų | 60 | 122.9 Ų | 122.9 | 37% | 0.368 | 61% | 0.607 | S | S | . | * | trans | -36.2 | 130.8 | 169.1 | -45.7 | 0 | 0 | 0 | 0 | 109.1 | H338 N342 | H338-T340 PolarHBondContact O-N 3.18Å; T340-N342 PolarHBondContact O-N 3.2Å | ||
| 341 | K | 27.1 | Very low | 37.5 | Very low | 206 Ų | 206 | 120.2 Ų | 120.2 | 90% | 0.896 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -45.7 | 8.1 | -166 | -87.7 | -179.2 | 173.9 | 175.8 | 0 | 119.5 | K339 | K339-K341 PolarHBondContact O-N 3.08Š|
| 342 | N | 25.3 | Very low | 36.3 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -108.4 | 86.8 | 174.7 | -68.3 | -21.9 | 0 | 0 | 0 | 111.3 | T340 | T340-N342 PolarHBondContact O-N 3.2Š|
| 343 | K | 24.7 | Very low | 35.1 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | trans | 150.7 | 92 | 148.4 | -84.5 | 171.2 | 179.7 | -168.8 | 0 | 110 | ||||
| 344 | L | 26.5 | Very low | 34.2 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -64.7 | 133.2 | 146.4 | -73.1 | 136.7 | 0 | 0 | 0 | 105.8 | ||
| 345 | F | 25.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 76% | 0.759 | 66% | 0.657 | S | S | * | * | trans | 81.9 | 89.3 | 177.2 | -45.6 | -77.3 | 0 | 0 | 0 | 117.5 | ||||
| 346 | S | 24.7 | Very low | 34 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | trans | -153.9 | 112.1 | 146.7 | -80.3 | 0 | 0 | 0 | 0 | 109 | E348 | S346-E348 VanDerWaalsContact C-N 3.31Å; S346-E348 PolarHBondContact O-N 3.48Å | ||
| 347 | P | 31.8 | Very low | 34.6 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | trans | -82.6 | 18.3 | -179.8 | -8.1 | 25.8 | 0 | 0 | 0 | 115.7 | D349 | P347-D349 PolarHBondContact O-N 3.42Š| ||
| 348 | E | 27.7 | Very low | 35.6 | Very low | 167 Ų | 167 | 124.7 Ų | 124.7 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 22.1 | -162.4 | -70.4 | -170.4 | 162.4 | 0 | 0 | 117.8 | S346 | S346-E348 VanDerWaalsContact C-N 3.31Å; S346-E348 PolarHBondContact O-N 3.48Å |
| 349 | D | 29.3 | Very low | 37 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 29.2 | 176.3 | -73.8 | -48.3 | 0 | 0 | 0 | 114.6 | P347 D351 | P347-D349 PolarHBondContact O-N 3.42Å; D349-D351 PolarHBondContact O-N 3.3Å |
| 350 | D | 34.2 | Very low | 38.4 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | trans | -95.5 | 59.2 | 180 | -72.9 | -22.4 | 0 | 0 | 0 | 113.2 | ||||
| 351 | D | 37.8 | Very low | 40.5 | Very low | 126 Ų | 126 | 122.3 Ų | 122.3 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | trans | -104.4 | 6.2 | -179 | -130.9 | 24.9 | 0 | 0 | 0 | 114.4 | K75 D349 | K75-D351 IonicContact NZ-OD2 3.51Å; K75-D351 PolarHBondContact NZ-OD2 2.89Å; D349-D351 PolarHBondContact O-N 3.3Å | ||
| 352 | E | 34.8 | Very low | 43.4 | Very low | 176 Ų | 176 | 117.2 Ų | 117.2 | 82% | 0.822 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -140.8 | 112.3 | 171 | -67.5 | -173.4 | 177.5 | 0 | 0 | 111.1 | ||
| 353 | D | 38.6 | Very low | 46.6 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | trans | 94.9 | 105.4 | 176.5 | -54.6 | -32.1 | 0 | 0 | 0 | 116.4 | D355 | D353-D355 PolarHBondContact O-N 3.25Å; D353-D355 VanDerWaalsContact O-OD1 3.08Å | ||
| 354 | E | 39.6 | Very low | 49.9 | Very low | 203 Ų | 203 | 104.8 Ų | 104.8 | 95% | 0.949 | 55% | 0.547 | S | S | * | . | trans | -60.7 | 97.3 | 163.6 | -73.2 | 174.1 | 172 | 0 | 0 | 108.4 | D356 | E354-D356 PolarHBondContact O-N 3.43Š| ||
| 355 | D | 48.2 | Very low | 53.2 | Low | 34 Ų | 34 | 98 Ų | 98 | 18% | 0.182 | 51% | 0.51 | C | S | . | . | trans | -82.3 | 108.4 | -169.4 | -63.5 | -39.9 | 0 | 0 | 0 | 113.7 | R334 D353 D357 | R334-D355 VanDerWaalsContact CZ-CG 3.47Å; R334-D355 IonicContact CZ-OD1 2.72Å; R334-D355 VanDerWaalsContact CZ-OD1 3.28Å; R334-D355 IonicContact CZ-OD2 3.27Å; R334-D355 IonicContact NH1-OD1 3.73Å; R334-D355 PolarHBondContact NH1-OD1 2.91Å; R334-D355 IonicContact NH1-OD2 2.91Å; R334-D355 PolarHBondContact NH1-OD2 2.94Å; R334-D355 IonicContact NH2-OD1 3.83Å; R334-D355 PolarHBondContact NH2-OD1 3.42Å; R334-D355 IonicContact NH2-OD2 3.78Å; R334-D355 PolarHBondContact NH2-OD2 3.41Å; D353-D355 PolarHBondContact O-N 3.25Å; D353-D355 VanDerWaalsContact O-OD1 3.08Å; D355-D357 PolarHBondContact O-N 3.09Å | ||
| 356 | D | 49.6 | Very low | 56.4 | Low | 147 Ų | 147 | 92.3 Ų | 92.3 | 79% | 0.786 | 49% | 0.485 | S | S | * | . | trans | -65.6 | 16.6 | 164.9 | -85 | -28.8 | 0 | 0 | 0 | 113.7 | E354 | E354-D356 PolarHBondContact O-N 3.43Š| ||
| 357 | D | 61.8 | Low | 59.8 | Low | 45 Ų | 45 | 89 Ų | 89 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | trans | -86.2 | 118.9 | 174.9 | -172.3 | 2.2 | 0 | 0 | 0 | 111.4 | D355 V359 S360 N361 | D355-D357 PolarHBondContact O-N 3.09Å; D357-V359 PolarHBondContact O-N 2.92Å; D357-V359 PolarHBondContact OD1-N 2.72Å; D357-S360 PolarHBondContact O-N 2.97Å; D357-N361 PolarHBondContact O-N 3.33Å; D357-N361 PolarHBondContact O-ND2 3.37Å | ||
| 358 | Y | 62.2 | Low | 63 | Low | 11 Ų | 11 | 83.6 Ų | 83.6 | 4% | 0.043 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -33.8 | 173.5 | -179.2 | -101 | 0 | 0 | 0 | 113.3 | Y308 D312 L315 L316 S360 N361 T363 K366 | Y308-Y358 WeakPolarHBondContact CD1-OH 3.48Å; Y308-Y358 HydrophobicContact CE1-CE1 4.22Å; Y308-Y358 AromaticContact CE1-CZ 3.92Å; Y308-Y358 VanDerWaalsContact CE1-OH 3.23Å; Y308-Y358 WeakPolarHBondContact CE1-OH 3.35Å; D312-Y358 HydrophobicContact CB-CD2 4.3Å; D312-Y358 HydrophobicContact CB-CE2 3.53Å; D312-Y358 VanDerWaalsContact CG-CE2 3.43Å; D312-Y358 WeakPolarHBondContact OD1-CE2 3.29Å; D312-Y358 PolarHBondContact OD2-OH 2.99Å; L315-Y358 HydrophobicContact CB-CD2 4.26Å; L315-Y358 HydrophobicContact CB-CG 4.45Å; L315-Y358 HydrophobicContact CD1-CD2 4.18Å; L316-Y358 HydrophobicContact CD1-CD1 4.17Å; L316-Y358 HydrophobicContact CD1-CE1 3.84Å; L316-Y358 HydrophobicContact CD1-CE2 4.33Å; L316-Y358 HydrophobicContact CD2-CD1 3.38Å; L316-Y358 HydrophobicContact CD2-CE1 3.78Å; L316-Y358 HydrophobicContact CD2-CG 3.91Å; L316-Y358 HydrophobicContact CG-CD1 3.79Å; L316-Y358 HydrophobicContact CG-CD2 4.28Å; L316-Y358 HydrophobicContact CG-CE1 4.01Å; L316-Y358 HydrophobicContact CG-CE2 4.49Å; L316-Y358 HydrophobicContact CG-CG 3.93Å; Y358-S360 VanDerWaalsContact C-N 3.32Å; Y358-S360 PolarHBondContact O-N 3.23Å; Y358-N361 PolarHBondContact O-N 3.3Å; Y358-T363 HydrophobicContact CE2-CG2 4.12Å; Y358-K366 PolarHBondContact O-NZ 3.28Å |
| 359 | V | 63.1 | Low | 66.3 | Low | 75 Ų | 75 | 76.3 Ų | 76.3 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -40 | -176 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | D357 K366 | D357-V359 PolarHBondContact O-N 2.92Å; D357-V359 PolarHBondContact OD1-N 2.72Å; V359-K366 PolarHBondContact O-NZ 3.41Å |
| 360 | S | 61.8 | Low | 69.6 | Low | 75 Ų | 75 | 70.8 Ų | 70.8 | 52% | 0.524 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -30.8 | -179.7 | -56.5 | 0 | 0 | 0 | 0 | 113.3 | D357 Y358 W362 | D357-S360 PolarHBondContact O-N 2.97Å; Y358-S360 VanDerWaalsContact C-N 3.32Å; Y358-S360 PolarHBondContact O-N 3.23Å; S360-W362 PolarHBondContact O-N 2.88Å |
| 361 | N | 77 | Confident | 72.6 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -68.5 | 128.6 | -173.5 | -73.9 | -25.9 | 0 | 0 | 0 | 114.1 | D357 Y358 T363 K366 | D357-N361 PolarHBondContact O-N 3.33Å; D357-N361 PolarHBondContact O-ND2 3.37Å; Y358-N361 PolarHBondContact O-N 3.3Å; N361-T363 PolarHBondContact O-N 3.04Å; N361-K366 WeakPolarHBondContact O-CD 3.43Å; N361-K366 WeakPolarHBondContact O-CE 3.38Å; N361-K366 PolarHBondContact O-NZ 2.91Å |
| 362 | W | 87.3 | Confident | 75.4 | Confident | 99 Ų | 99 | 58.5 Ų | 58.5 | 38% | 0.375 | 30% | 0.304 | S | S | . | . | trans | -78.3 | 115 | 171.4 | -170.6 | -121 | 0 | 0 | 0 | 110.4 | R272 E276 L279 S360 K366 C367 A370 | R272-W362 WeakPolarHBondContact CD-O 3.41Å; E276-W362 PolarHBondContact OE2-NE1 3.28Å; L279-W362 HydrophobicContact CD2-CH2 4.43Å; L279-W362 HydrophobicContact CD2-CZ2 3.97Å; S360-W362 PolarHBondContact O-N 2.88Å; W362-K366 HydrophobicContact CD2-CB 4.48Å; W362-K366 HydrophobicContact CE3-CB 3.83Å; W362-K366 HydrophobicContact CE3-CD 4.3Å; W362-K366 HydrophobicContact CH2-CB 4.32Å; W362-K366 HydrophobicContact CZ3-CB 3.74Å; W362-C367 VanDerWaalsContact CZ2-CA 3.5Å; W362-C367 HydrophobicContact CZ2-CB 3.73Å; W362-A370 HydrophobicContact CH2-CB 4.06Å | ||
| 363 | T | 91.6 | Very high | 78.4 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | trans | -115 | 162.3 | -174.4 | 68.6 | 0 | 0 | 0 | 0 | 112 | Y358 N361 R365 K366 C367 | Y358-T363 HydrophobicContact CE2-CG2 4.12Å; N361-T363 PolarHBondContact O-N 3.04Å; T363-R365 PolarHBondContact O-N 3.4Å; T363-K366 PolarHBondContact O-N 3.32Å; T363-K366 VanDerWaalsContact O-N 3.13Å; T363-K366 PolarHBondContact OG1-N 3.45Å; T363-C367 WeakPolarHBondContact O-CB 3.25Å; T363-C367 PolarHBondContact O-N 3.34Å | ||
| 364 | L | 94.5 | Very high | 81.2 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.6 | -37 | 172.7 | 176.1 | 61.3 | 0 | 0 | 0 | 111.8 | R272 C275 S368 | R272-L364 HydrophobicContact CB-CB 4.44Å; C275-L364 HydrophobicContact CB-CD1 3.52Å; L364-S368 VanDerWaalsContact O-CB 3.23Å; L364-S368 WeakPolarHBondContact O-CB 3.48Å; L364-S368 PolarHBondContact O-N 3.11Å; L364-S368 PolarHBondContact O-OG 3.29Å |
| 365 | R | 95.4 | Very high | 83.9 | Confident | 12 Ų | 12 | 38 Ų | 38 | 5% | 0.045 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -49.9 | 176 | 170.8 | 175.3 | 171.7 | 112.8 | -5.9 | 112.7 | G305 M306 Y308 T363 S368 A369 E404 L408 | G305-R365 WeakPolarHBondContact O-CA 3.41Å; G305-R365 PolarHBondContact O-N 3.07Å; M306-R365 WeakPolarHBondContact O-CD 3.37Å; M306-R365 WeakPolarHBondContact O-CG 3.31Å; M306-R365 PolarHBondContact O-NH1 3.13Å; Y308-R365 VanDerWaalsContact CE2-CZ 3.5Å; Y308-R365 VanDerWaalsContact CZ-CZ 3.44Å; Y308-R365 PolarHBondContact OH-NH2 3.34Å; T363-R365 PolarHBondContact O-N 3.4Å; R365-S368 PolarHBondContact O-N 3.27Å; R365-A369 WeakPolarHBondContact O-CB 3.34Å; R365-A369 PolarHBondContact O-N 3.37Å; R365-E404 IonicContact CZ-OE1 2.79Å; R365-E404 IonicContact CZ-OE2 3.69Å; R365-E404 IonicContact NH1-OE2 3.6Å; R365-E404 PolarHBondContact NH1-OE2 3.47Å; R365-E404 IonicContact NH2-OE1 3.55Å; R365-E404 PolarHBondContact NH2-OE1 3.34Å; R365-E404 IonicContact NH2-OE2 2.72Å; R365-E404 PolarHBondContact NH2-OE2 3.06Å; R365-L408 HydrophobicContact CG-CD2 4.34Å |
| 366 | K | 94.3 | Very high | 86.3 | Confident | 55 Ų | 55 | 36.3 Ų | 36.3 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 178.9 | -68.6 | 178.3 | -174.5 | 169.5 | 0 | 110.7 | Y358 V359 N361 W362 T363 A369 A370 | Y358-K366 PolarHBondContact O-NZ 3.28Å; V359-K366 PolarHBondContact O-NZ 3.41Å; N361-K366 WeakPolarHBondContact O-CD 3.43Å; N361-K366 WeakPolarHBondContact O-CE 3.38Å; N361-K366 PolarHBondContact O-NZ 2.91Å; W362-K366 HydrophobicContact CD2-CB 4.48Å; W362-K366 HydrophobicContact CE3-CB 3.83Å; W362-K366 HydrophobicContact CE3-CD 4.3Å; W362-K366 HydrophobicContact CH2-CB 4.32Å; W362-K366 HydrophobicContact CZ3-CB 3.74Å; T363-K366 PolarHBondContact O-N 3.32Å; T363-K366 VanDerWaalsContact O-N 3.13Å; T363-K366 PolarHBondContact OG1-N 3.45Å; K366-A369 PolarHBondContact O-N 2.74Å; K366-A370 WeakPolarHBondContact O-CB 3.26Å; K366-A370 PolarHBondContact O-N 3.2Å |
| 367 | C | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | C275 E276 W362 T363 A369 A370 A371 | C275-C367 HydrophobicContact CB-CB 4.4Å; E276-C367 PolarHBondContact N-SG 2.88Å; E276-C367 VanDerWaalsContact N-SG 3.43Å; E276-C367 PolarHBondContact OE2-SG 3.33Å; W362-C367 VanDerWaalsContact CZ2-CA 3.5Å; W362-C367 HydrophobicContact CZ2-CB 3.73Å; T363-C367 WeakPolarHBondContact O-CB 3.25Å; T363-C367 PolarHBondContact O-N 3.34Å; C367-A369 VanDerWaalsContact C-N 3.33Å; C367-A369 PolarHBondContact O-N 3.32Å; C367-A370 PolarHBondContact O-N 3.05Å; C367-A371 WeakPolarHBondContact O-CB 3.27Å; C367-A371 PolarHBondContact O-N 2.72Å |
| 368 | S | 97.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 178 | -61 | 0 | 0 | 0 | 0 | 112.2 | C275 L302 L364 R365 L372 | C275-S368 PolarHBondContact SG-OG 3.18Å; L302-S368 WeakPolarHBondContact O-CB 3.48Å; L364-S368 VanDerWaalsContact O-CB 3.23Å; L364-S368 WeakPolarHBondContact O-CB 3.48Å; L364-S368 PolarHBondContact O-N 3.11Å; L364-S368 PolarHBondContact O-OG 3.29Å; R365-S368 PolarHBondContact O-N 3.27Å; S368-L372 WeakPolarHBondContact O-CB 3.25Å; S368-L372 PolarHBondContact O-N 3.47Å |
| 369 | A | 97.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | M306 R365 K366 C367 L372 D373 L408 | M306-A369 HydrophobicContact CE-CB 3.85Å; M306-A369 HydrophobicContact CG-CB 4.32Å; R365-A369 WeakPolarHBondContact O-CB 3.34Å; R365-A369 PolarHBondContact O-N 3.37Å; K366-A369 PolarHBondContact O-N 2.74Å; C367-A369 VanDerWaalsContact C-N 3.33Å; C367-A369 PolarHBondContact O-N 3.32Å; A369-L372 PolarHBondContact O-N 3.38Å; A369-D373 WeakPolarHBondContact O-CB 3.43Å; A369-D373 PolarHBondContact O-N 2.81Å; A369-L408 HydrophobicContact CB-CD1 4.29Å; A369-L408 HydrophobicContact CB-CD2 4.06Å; A369-L408 HydrophobicContact CB-CG 4.35Å |
| 370 | A | 97.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.9 | -46.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L279 W362 K366 C367 L372 D373 V374 | L279-A370 HydrophobicContact CD1-CB 4.14Å; L279-A370 HydrophobicContact CD2-CB 4.2Å; W362-A370 HydrophobicContact CH2-CB 4.06Å; K366-A370 WeakPolarHBondContact O-CB 3.26Å; K366-A370 PolarHBondContact O-N 3.2Å; C367-A370 PolarHBondContact O-N 3.05Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.02Å; A370-D373 PolarHBondContact O-N 2.95Å; A370-V374 WeakPolarHBondContact O-CG2 3.45Å; A370-V374 PolarHBondContact O-N 3.3Å; A370-V374 VanDerWaalsContact O-N 3.09Å |
| 371 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | W278 L279 L302 C367 L375 | W278-A371 HydrophobicContact CB-CB 3.98Å; L279-A371 HydrophobicContact CB-CB 4.39Å; L302-A371 HydrophobicContact CD1-CB 4.29Å; L302-A371 HydrophobicContact CD2-CB 4.14Å; C367-A371 WeakPolarHBondContact O-CB 3.27Å; C367-A371 PolarHBondContact O-N 2.72Å; A371-L375 VanDerWaalsContact O-CB 3.26Å; A371-L375 WeakPolarHBondContact O-CB 3.32Å; A371-L375 WeakPolarHBondContact O-CD1 3.2Å; A371-L375 WeakPolarHBondContact O-CG 3.27Å; A371-L375 PolarHBondContact O-N 3.5Å |
| 372 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 177.4 | -162.6 | 79.7 | 0 | 0 | 0 | 112.4 | L302 M306 S368 A369 A370 A376 F383 L387 V409 A412 I413 | L302-L372 HydrophobicContact CB-CD1 4.18Å; L302-L372 HydrophobicContact CD1-CD1 4.18Å; M306-L372 HydrophobicContact CE-CD2 4.07Å; M306-L372 HydrophobicContact SD-CB 4.3Å; M306-L372 HydrophobicContact SD-CD2 3.66Å; S368-L372 WeakPolarHBondContact O-CB 3.25Å; S368-L372 PolarHBondContact O-N 3.47Å; A369-L372 PolarHBondContact O-N 3.38Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.02Å; L372-A376 VanDerWaalsContact O-CB 3.32Å; L372-A376 WeakPolarHBondContact O-CB 3.27Å; L372-A376 PolarHBondContact O-N 2.85Å; L372-F383 HydrophobicContact CD1-CE1 3.53Å; L372-F383 HydrophobicContact CD1-CZ 3.54Å; L372-F383 HydrophobicContact CG-CE1 3.98Å; L372-F383 HydrophobicContact CG-CZ 4.32Å; L372-L387 HydrophobicContact CD2-CD1 4.44Å; L372-V409 HydrophobicContact CD2-CB 4.43Å; L372-V409 HydrophobicContact CD2-CG1 4.08Å; L372-V409 HydrophobicContact CD2-CG2 4.17Å; L372-A412 HydrophobicContact CD2-CB 4.32Å; L372-I413 HydrophobicContact CD2-CG2 4.01Å; L372-I413 HydrophobicContact CG-CG2 4.25Å |
| 373 | D | 97.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 29.9 Ų | 29.9 | 21% | 0.214 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -52.1 | 177.4 | -171 | -13.6 | 0 | 0 | 0 | 111.3 | A369 A370 L375 A376 S377 A412 R453 | A369-D373 WeakPolarHBondContact O-CB 3.43Å; A369-D373 PolarHBondContact O-N 2.81Å; A370-D373 PolarHBondContact O-N 2.95Å; D373-L375 PolarHBondContact O-N 2.98Å; D373-A376 WeakPolarHBondContact O-CB 3.43Å; D373-A376 PolarHBondContact O-N 2.92Å; D373-S377 PolarHBondContact O-N 3.5Å; D373-A412 WeakPolarHBondContact CA-O 3.5Å; D373-A412 HydrophobicContact CB-CB 4.38Å; D373-A412 VanDerWaalsContact CG-O 3.31Å; D373-R453 IonicContact OD2-NH2 3.97Å |
| 374 | V | 97.2 | Very high | 95.7 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 26% | 0.261 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 178.5 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | L279 S282 A370 A376 S377 V378 | L279-V374 HydrophobicContact CD1-CG2 4.06Å; S282-V374 WeakPolarHBondContact OG-CB 3.5Å; S282-V374 WeakPolarHBondContact OG-CG1 3.36Å; A370-V374 WeakPolarHBondContact O-CG2 3.45Å; A370-V374 PolarHBondContact O-N 3.3Å; A370-V374 VanDerWaalsContact O-N 3.09Å; V374-A376 VanDerWaalsContact C-N 3.33Å; V374-A376 PolarHBondContact O-N 3.19Å; V374-S377 WeakPolarHBondContact O-CA 2.96Å; V374-S377 WeakPolarHBondContact O-CB 3.18Å; V374-S377 PolarHBondContact O-N 3.37Å; V374-V378 PolarHBondContact O-N 2.6Å; V374-V378 VanDerWaalsContact O-N 3.11Å |
| 375 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -33.8 | 178.4 | -70.3 | 171.7 | 0 | 0 | 0 | 113 | L291 L298 L302 A371 D373 S377 V378 F379 F383 | L291-L375 HydrophobicContact CD1-CD2 3.69Å; L298-L375 HydrophobicContact CD2-CD1 4.02Å; L302-L375 HydrophobicContact CD1-CD1 3.58Å; A371-L375 VanDerWaalsContact O-CB 3.26Å; A371-L375 WeakPolarHBondContact O-CB 3.32Å; A371-L375 WeakPolarHBondContact O-CD1 3.2Å; A371-L375 WeakPolarHBondContact O-CG 3.27Å; A371-L375 PolarHBondContact O-N 3.5Å; D373-L375 PolarHBondContact O-N 2.98Å; L375-S377 PolarHBondContact O-N 2.84Å; L375-V378 PolarHBondContact O-N 3.44Å; L375-F379 HydrophobicContact CB-CD2 4.48Å; L375-F379 HydrophobicContact CD2-CD2 4.3Å; L375-F379 HydrophobicContact CD2-CE2 3.93Å; L375-F379 WeakPolarHBondContact O-CD2 3.44Å; L375-F379 PolarHBondContact O-N 3.12Å; L375-F383 HydrophobicContact CB-CE2 4.03Å; L375-F383 HydrophobicContact CB-CZ 3.93Å |
| 376 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -35.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L372 D373 V374 H380 F383 I413 G416 | L372-A376 VanDerWaalsContact O-CB 3.32Å; L372-A376 WeakPolarHBondContact O-CB 3.27Å; L372-A376 PolarHBondContact O-N 2.85Å; D373-A376 WeakPolarHBondContact O-CB 3.43Å; D373-A376 PolarHBondContact O-N 2.92Å; V374-A376 VanDerWaalsContact C-N 3.33Å; V374-A376 PolarHBondContact O-N 3.19Å; A376-H380 VanDerWaalsContact O-CA 3.27Å; A376-H380 WeakPolarHBondContact O-CA 3.37Å; A376-H380 PolarHBondContact O-N 3.39Å; A376-F383 HydrophobicContact CB-CD1 4.36Å; A376-F383 HydrophobicContact CB-CE1 4.42Å; A376-I413 HydrophobicContact CB-CB 3.99Å; A376-I413 HydrophobicContact CB-CG2 3.94Å; A376-G416 CarbonylContact O-C 3.59Å; A376-G416 WeakPolarHBondContact O-CA 3.46Å |
| 377 | S | 95.4 | Very high | 95.9 | Very high | 49 Ų | 49 | 31.7 Ų | 31.7 | 34% | 0.343 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -76.2 | -20.5 | 175.2 | -63.3 | 0 | 0 | 0 | 0 | 113.8 | D373 V374 L375 H380 G416 | D373-S377 PolarHBondContact O-N 3.5Å; V374-S377 WeakPolarHBondContact O-CA 2.96Å; V374-S377 WeakPolarHBondContact O-CB 3.18Å; V374-S377 PolarHBondContact O-N 3.37Å; L375-S377 PolarHBondContact O-N 2.84Å; S377-H380 PolarHBondContact O-CE1 3.24Å; S377-H380 PolarHBondContact O-ND1 3.41Å; S377-H380 PolarHBondContact O-NE2 2.85Å; S377-G416 WeakPolarHBondContact OG-CA 3.42Å |
| 378 | V | 95.9 | Very high | 95.9 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -84 | -43.2 | 174.5 | 176 | 0 | 0 | 0 | 0 | 112 | C287 H288 V374 L375 | C287-V378 HydrophobicContact CB-CG1 4.46Å; H288-V378 HydrophobicContact CB-CG1 3.8Å; V374-V378 PolarHBondContact O-N 2.6Å; V374-V378 VanDerWaalsContact O-N 3.11Å; L375-V378 PolarHBondContact O-N 3.44Å |
| 379 | F | 96.1 | Very high | 95.8 | Very high | 11 Ų | 11 | 36.9 Ų | 36.9 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -100.3 | -13.6 | -172.4 | -71.7 | -80.6 | 0 | 0 | 0 | 114.1 | H288 L291 I295 L375 T381 D382 F383 | H288-F379 AromaticContact CD2-CE1 3.97Å; L291-F379 HydrophobicContact CB-CE2 4.23Å; L291-F379 HydrophobicContact CB-CZ 3.87Å; I295-F379 HydrophobicContact CD1-CD2 3.83Å; I295-F379 HydrophobicContact CD1-CE2 3.55Å; I295-F379 HydrophobicContact CD1-CG 4.44Å; I295-F379 HydrophobicContact CD1-CZ 3.92Å; I295-F379 HydrophobicContact CG1-CD1 4.46Å; I295-F379 HydrophobicContact CG1-CD2 4.27Å; I295-F379 HydrophobicContact CG1-CE1 4.42Å; I295-F379 HydrophobicContact CG1-CE2 4.24Å; I295-F379 HydrophobicContact CG1-CG 4.38Å; I295-F379 HydrophobicContact CG1-CZ 4.32Å; L375-F379 HydrophobicContact CB-CD2 4.48Å; L375-F379 HydrophobicContact CD2-CD2 4.3Å; L375-F379 HydrophobicContact CD2-CE2 3.93Å; L375-F379 WeakPolarHBondContact O-CD2 3.44Å; L375-F379 PolarHBondContact O-N 3.12Å; F379-T381 PolarHBondContact O-N 3.31Å; F379-D382 WeakPolarHBondContact O-CB 3.35Å; F379-D382 PolarHBondContact O-N 3.02Å; F379-F383 HydrophobicContact CB-CB 4.03Å; F379-F383 HydrophobicContact CB-CD2 3.74Å; F379-F383 HydrophobicContact CB-CG 4.25Å; F379-F383 HydrophobicContact CD2-CD2 4.24Å; F379-F383 HydrophobicContact CD2-CE2 4.37Å; F379-F383 HydrophobicContact CG-CD2 4.18Å |
| 380 | H | 95.5 | Very high | 95.8 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | 48.1 | -120.1 | 177.3 | -57.3 | -58.1 | 0 | 0 | 0 | 112.9 | A376 S377 D382 F383 G416 C417 | A376-H380 VanDerWaalsContact O-CA 3.27Å; A376-H380 WeakPolarHBondContact O-CA 3.37Å; A376-H380 PolarHBondContact O-N 3.39Å; S377-H380 PolarHBondContact O-CE1 3.24Å; S377-H380 PolarHBondContact O-ND1 3.41Å; S377-H380 PolarHBondContact O-NE2 2.85Å; H380-D382 VanDerWaalsContact C-N 3.33Å; H380-D382 PolarHBondContact O-N 3.44Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; H380-G416 PolarHBondContact ND1-O 3.18Å; H380-C417 PolarHBondContact O-SG 2.95Å |
| 381 | T | 93.6 | Very high | 95.8 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 42% | 0.423 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -72.5 | -23.5 | -176.1 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | F379 F383 L384 P385 | F379-T381 PolarHBondContact O-N 3.31Å; T381-F383 PolarHBondContact O-N 3.19Å; T381-L384 PolarHBondContact O-N 3.38Å; T381-P385 WeakPolarHBondContact O-CD 3.49Å |
| 382 | D | 90.5 | Very high | 95.8 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -71 | -16.7 | -177.5 | -65 | -10.2 | 0 | 0 | 0 | 111.7 | F379 H380 P385 | F379-D382 WeakPolarHBondContact O-CB 3.35Å; F379-D382 PolarHBondContact O-N 3.02Å; H380-D382 VanDerWaalsContact C-N 3.33Å; H380-D382 PolarHBondContact O-N 3.44Å; D382-P385 WeakPolarHBondContact O-CD 3.25Å |
| 383 | F | 88.7 | Confident | 95.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -72.6 | -32.6 | 175.4 | -148.2 | -120.9 | 0 | 0 | 0 | 113 | I295 I299 L372 L375 A376 F379 H380 T381 L387 I413 | I295-F383 HydrophobicContact CD1-CD2 4.23Å; I295-F383 HydrophobicContact CD1-CE2 3.69Å; I295-F383 HydrophobicContact CG1-CD2 3.93Å; I295-F383 HydrophobicContact CG1-CE2 3.83Å; I299-F383 HydrophobicContact CD1-CD1 4.5Å; I299-F383 HydrophobicContact CD1-CD2 3.59Å; I299-F383 HydrophobicContact CD1-CE2 3.59Å; I299-F383 HydrophobicContact CD1-CG 4.06Å; I299-F383 HydrophobicContact CD1-CZ 4.08Å; I299-F383 HydrophobicContact CG1-CD2 4.02Å; I299-F383 HydrophobicContact CG1-CE1 4.31Å; I299-F383 HydrophobicContact CG1-CE2 3.45Å; I299-F383 VanDerWaalsContact CG1-CE2 3.45Å; I299-F383 HydrophobicContact CG1-CZ 3.63Å; L372-F383 HydrophobicContact CD1-CE1 3.53Å; L372-F383 HydrophobicContact CD1-CZ 3.54Å; L372-F383 HydrophobicContact CG-CE1 3.98Å; L372-F383 HydrophobicContact CG-CZ 4.32Å; L375-F383 HydrophobicContact CB-CE2 4.03Å; L375-F383 HydrophobicContact CB-CZ 3.93Å; A376-F383 HydrophobicContact CB-CD1 4.36Å; A376-F383 HydrophobicContact CB-CE1 4.42Å; F379-F383 HydrophobicContact CB-CB 4.03Å; F379-F383 HydrophobicContact CB-CD2 3.74Å; F379-F383 HydrophobicContact CB-CG 4.25Å; F379-F383 HydrophobicContact CD2-CD2 4.24Å; F379-F383 HydrophobicContact CD2-CE2 4.37Å; F379-F383 HydrophobicContact CG-CD2 4.18Å; H380-F383 WeakPolarHBondContact O-CB 3.4Å; T381-F383 PolarHBondContact O-N 3.19Å; F383-L387 HydrophobicContact CD1-CD2 3.83Å; F383-L387 HydrophobicContact CE1-CD2 4.02Å; F383-L387 WeakPolarHBondContact O-CB 3.33Å; F383-L387 PolarHBondContact O-N 3.19Å; F383-I413 HydrophobicContact CD1-CG2 4.5Å; F383-I413 HydrophobicContact CE1-CG2 4.39Å |
| 384 | L | 96.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | -168.1 | -63.5 | 179.3 | 0 | 0 | 0 | 116 | T381 I386 L387 L388 I413 C417 M421 | T381-L384 PolarHBondContact O-N 3.38Å; L384-I386 PolarHBondContact O-N 3.31Å; L384-L387 PolarHBondContact O-N 3.22Å; L384-L388 HydrophobicContact CB-CD1 3.99Å; L384-L388 HydrophobicContact CB-CG 4.13Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 HydrophobicContact CD2-CD2 4.29Å; L384-L388 HydrophobicContact CD2-CG 4.2Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.32Å; L384-I413 HydrophobicContact CD2-CD1 4.04Å; L384-C417 HydrophobicContact CD1-CB 4.41Å; L384-C417 HydrophobicContact CD2-CB 3.87Å; L384-C417 HydrophobicContact CG-CB 4.32Å; L384-M421 HydrophobicContact CD1-SD 4.38Å; L384-M421 HydrophobicContact CD2-CG 4.44Å; L384-M421 HydrophobicContact CD2-SD 3.79Å |
| 385 | P | 96 | Very high | 95.9 | Very high | 96 Ų | 96 | 48.8 Ų | 48.8 | 62% | 0.623 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.1 | -30.6 | -177.5 | -27.5 | 36.1 | 0 | 0 | 0 | 114.4 | T381 D382 P389 | T381-P385 WeakPolarHBondContact O-CD 3.49Å; D382-P385 WeakPolarHBondContact O-CD 3.25Å; P385-P389 VanDerWaalsContact O-CD 3.3Å; P385-P389 WeakPolarHBondContact O-CD 3.34Å; P385-P389 WeakPolarHBondContact O-CG 3.46Å |
| 386 | I | 95.2 | Very high | 95.8 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 28% | 0.282 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -88.6 | -41.7 | 177.2 | -63 | 146.8 | 0 | 0 | 0 | 110.3 | I295 I299 L384 P389 L390 | I295-I386 HydrophobicContact CG2-CD1 4.2Å; I299-I386 HydrophobicContact CB-CG2 4.03Å; I299-I386 HydrophobicContact CD1-CB 3.93Å; I299-I386 HydrophobicContact CD1-CD1 4.15Å; I299-I386 HydrophobicContact CD1-CG2 4.01Å; I299-I386 HydrophobicContact CG2-CG2 3.97Å; L384-I386 PolarHBondContact O-N 3.31Å; I386-P389 WeakPolarHBondContact O-CD 3.42Å; I386-L390 HydrophobicContact CG2-CD1 4.49Å |
| 387 | L | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.8 | -43.3 | -173 | -175.5 | 67 | 0 | 0 | 0 | 113.7 | I299 V303 L372 F383 L384 L390 T391 V409 I413 | I299-L387 HydrophobicContact CG2-CB 4.15Å; I299-L387 HydrophobicContact CG2-CD1 3.67Å; V303-L387 HydrophobicContact CG2-CD1 3.53Å; L372-L387 HydrophobicContact CD2-CD1 4.44Å; F383-L387 HydrophobicContact CD1-CD2 3.83Å; F383-L387 HydrophobicContact CE1-CD2 4.02Å; F383-L387 WeakPolarHBondContact O-CB 3.33Å; F383-L387 PolarHBondContact O-N 3.19Å; L384-L387 PolarHBondContact O-N 3.22Å; L387-L390 PolarHBondContact O-N 3.02Å; L387-T391 WeakPolarHBondContact O-CB 3.43Å; L387-T391 PolarHBondContact O-N 2.92Å; L387-T391 PolarHBondContact O-OG1 2.68Å; L387-V409 HydrophobicContact CD1-CG1 3.75Å; L387-V409 HydrophobicContact CD2-CG1 4.12Å; L387-V409 HydrophobicContact CG-CG1 4.08Å; L387-I413 HydrophobicContact CD2-CB 4.35Å; L387-I413 HydrophobicContact CD2-CD1 3.62Å; L387-I413 HydrophobicContact CD2-CG1 4.5Å; L387-I413 HydrophobicContact CD2-CG2 3.44Å; L387-I413 VanDerWaalsContact CD2-CG2 3.44Å |
| 388 | L | 96.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | -173.5 | -68.8 | 179.5 | 0 | 0 | 0 | 113.7 | L384 L390 T391 K392 M421 Y424 | L384-L388 HydrophobicContact CB-CD1 3.99Å; L384-L388 HydrophobicContact CB-CG 4.13Å; L384-L388 HydrophobicContact CD2-CD1 4.48Å; L384-L388 HydrophobicContact CD2-CD2 4.29Å; L384-L388 HydrophobicContact CD2-CG 4.2Å; L384-L388 WeakPolarHBondContact O-CB 3.48Å; L384-L388 WeakPolarHBondContact O-CG 3.47Å; L384-L388 PolarHBondContact O-N 3.32Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L388-T391 PolarHBondContact O-N 3.22Å; L388-K392 WeakPolarHBondContact O-CB 3.35Å; L388-K392 PolarHBondContact O-N 2.87Å; L388-M421 HydrophobicContact CD2-CE 4.22Å; L388-M421 HydrophobicContact CD2-SD 3.83Å; L388-Y424 HydrophobicContact CD1-CD2 4.18Å; L388-Y424 HydrophobicContact CD1-CE1 4.11Å; L388-Y424 HydrophobicContact CD1-CE2 3.57Å |
| 389 | P | 97 | Very high | 95.8 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.1 | -44 | 173.4 | -26.3 | 35.6 | 0 | 0 | 0 | 113.3 | P385 I386 K392 E393 | P385-P389 VanDerWaalsContact O-CD 3.3Å; P385-P389 WeakPolarHBondContact O-CD 3.34Å; P385-P389 WeakPolarHBondContact O-CG 3.46Å; I386-P389 WeakPolarHBondContact O-CD 3.42Å; P389-K392 PolarHBondContact O-N 3.37Å; P389-E393 PolarHBondContact O-N 3.19Å |
| 390 | L | 97.5 | Very high | 95.8 | Very high | 50 Ų | 50 | 65.7 Ų | 65.7 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 178 | -61.4 | 171.3 | 0 | 0 | 0 | 110.9 | I299 P300 I386 L387 L388 K392 E393 L394 | I299-L390 HydrophobicContact CG2-CD1 4.09Å; P300-L390 HydrophobicContact CB-CD1 4.21Å; P300-L390 HydrophobicContact CG-CD1 3.96Å; I386-L390 HydrophobicContact CG2-CD1 4.49Å; L387-L390 PolarHBondContact O-N 3.02Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L390-K392 VanDerWaalsContact C-N 3.28Å; L390-K392 PolarHBondContact O-N 3.03Å; L390-E393 WeakPolarHBondContact O-CB 3.27Å; L390-E393 PolarHBondContact O-N 2.9Å; L390-E393 VanDerWaalsContact O-N 3.14Å; L390-L394 WeakPolarHBondContact O-CG 3.47Å; L390-L394 PolarHBondContact O-N 2.94Å |
| 391 | T | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 178.7 | -51 | 0 | 0 | 0 | 0 | 110.7 | L387 L388 E393 L394 L395 V409 L410 | L387-T391 WeakPolarHBondContact O-CB 3.43Å; L387-T391 PolarHBondContact O-N 2.92Å; L387-T391 PolarHBondContact O-OG1 2.68Å; L388-T391 PolarHBondContact O-N 3.22Å; T391-E393 PolarHBondContact O-N 3.19Å; T391-L394 WeakPolarHBondContact O-CB 3.44Å; T391-L394 PolarHBondContact O-N 3.38Å; T391-L395 HydrophobicContact CG2-CD1 4.03Å; T391-L395 HydrophobicContact CG2-CG 4.2Å; T391-L395 VanDerWaalsContact O-CG 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.46Å; T391-L395 PolarHBondContact O-N 3.28Å; T391-V409 HydrophobicContact CG2-CB 4.37Å; T391-V409 HydrophobicContact CG2-CG1 3.99Å; T391-V409 VanDerWaalsContact OG1-CG1 3.31Å; T391-V409 WeakPolarHBondContact OG1-CG1 3.47Å; T391-L410 HydrophobicContact CG2-CD2 3.84Å; T391-L410 HydrophobicContact CG2-CG 3.95Å |
| 392 | K | 96.9 | Very high | 95.9 | Very high | 137 Ų | 137 | 62.8 Ų | 62.8 | 60% | 0.596 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 176.6 | -173.5 | 178.2 | -177.8 | 174.3 | 0 | 112 | L388 P389 L390 L394 F396 | L388-K392 WeakPolarHBondContact O-CB 3.35Å; L388-K392 PolarHBondContact O-N 2.87Å; P389-K392 PolarHBondContact O-N 3.37Å; L390-K392 VanDerWaalsContact C-N 3.28Å; L390-K392 PolarHBondContact O-N 3.03Å; K392-L394 VanDerWaalsContact C-N 3.32Å; K392-L394 PolarHBondContact O-N 2.88Å; K392-F396 HydrophobicContact CG-CD2 4.03Å; K392-F396 HydrophobicContact CG-CE2 4.04Å; K392-F396 WeakPolarHBondContact O-CD2 3.3Å; K392-F396 PolarHBondContact O-N 3.44Å |
| 393 | E | 97.6 | Very high | 96.3 | Very high | 153 Ų | 153 | 59.5 Ų | 59.5 | 72% | 0.715 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 176.8 | -175 | 175.6 | 169.3 | 0 | 0 | 111.6 | P389 L390 T391 S397 | P389-E393 PolarHBondContact O-N 3.19Å; L390-E393 WeakPolarHBondContact O-CB 3.27Å; L390-E393 PolarHBondContact O-N 2.9Å; L390-E393 VanDerWaalsContact O-N 3.14Å; T391-E393 PolarHBondContact O-N 3.19Å; E393-S397 PolarHBondContact O-N 3.04Å |
| 394 | L | 98.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -52 | 177.2 | -69.1 | 178.4 | 0 | 0 | 0 | 112.3 | V303 L390 T391 K392 F396 S397 L402 K403 | V303-L394 HydrophobicContact CG1-CD1 3.46Å; V303-L394 VanDerWaalsContact CG1-CD1 3.46Å; L390-L394 WeakPolarHBondContact O-CG 3.47Å; L390-L394 PolarHBondContact O-N 2.94Å; T391-L394 WeakPolarHBondContact O-CB 3.44Å; T391-L394 PolarHBondContact O-N 3.38Å; K392-L394 VanDerWaalsContact C-N 3.32Å; K392-L394 PolarHBondContact O-N 2.88Å; L394-F396 PolarHBondContact O-N 3.46Å; L394-F396 VanDerWaalsContact O-N 3.1Å; L394-S397 WeakPolarHBondContact O-CB 3.29Å; L394-S397 PolarHBondContact O-N 3.4Å; L394-L402 WeakPolarHBondContact CB-O 3.18Å; L394-L402 HydrophobicContact CD2-CB 3.92Å; L394-L402 HydrophobicContact CD2-CD2 4.12Å; L394-L402 HydrophobicContact CD2-CG 4.47Å; L394-K403 VanDerWaalsContact O-CA 3.22Å; L394-K403 WeakPolarHBondContact O-CA 3.18Å; L394-K403 PolarHBondContact O-N 3.37Å |
| 395 | L | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -27.3 | -176 | -68.5 | 173.3 | 0 | 0 | 0 | 114 | T391 I407 L410 L428 F431 | T391-L395 HydrophobicContact CG2-CD1 4.03Å; T391-L395 HydrophobicContact CG2-CG 4.2Å; T391-L395 VanDerWaalsContact O-CG 3.23Å; T391-L395 WeakPolarHBondContact O-CG 3.46Å; T391-L395 PolarHBondContact O-N 3.28Å; L395-I407 HydrophobicContact CD2-CG1 3.7Å; L395-L410 HydrophobicContact CD1-CD1 3.9Å; L395-L410 HydrophobicContact CD2-CD1 4.08Å; L395-L428 HydrophobicContact CD1-CD2 4.41Å; L395-F431 HydrophobicContact CB-CE1 4.43Å; L395-F431 HydrophobicContact CB-CZ 4.4Å; L395-F431 HydrophobicContact CD2-CE1 4.19Å |
| 396 | F | 95.8 | Very high | 96.9 | Very high | 135 Ų | 135 | 54.4 Ų | 54.4 | 59% | 0.592 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 10.5 | 179 | -63 | -70.1 | 0 | 0 | 0 | 113.3 | K392 L394 F431 | K392-F396 HydrophobicContact CG-CD2 4.03Å; K392-F396 HydrophobicContact CG-CE2 4.04Å; K392-F396 WeakPolarHBondContact O-CD2 3.3Å; K392-F396 PolarHBondContact O-N 3.44Å; L394-F396 PolarHBondContact O-N 3.46Å; L394-F396 VanDerWaalsContact O-N 3.1Å; F396-F431 HydrophobicContact CE1-CE2 4.05Å; F396-F431 HydrophobicContact CZ-CE2 4.5Å |
| 397 | S | 96.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | trans | -65.3 | 140 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | E393 L394 Q399 | E393-S397 PolarHBondContact O-N 3.04Å; L394-S397 WeakPolarHBondContact O-CB 3.29Å; L394-S397 PolarHBondContact O-N 3.4Å; S397-Q399 PolarHBondContact O-N 3.26Å; S397-Q399 PolarHBondContact OG-N 2.94Å | ||
| 398 | P | 95.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 52.5 Ų | 52.5 | 87% | 0.87 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -71.6 | -18 | 171.2 | 31.2 | -35.9 | 0 | 0 | 0 | 112.6 | ||
| 399 | Q | 96 | Very high | 97.3 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -81.7 | 116 | 173.6 | -64 | 178 | 7.7 | 0 | 0 | 108.1 | S397 E401 L402 K403 | S397-Q399 PolarHBondContact O-N 3.26Å; S397-Q399 PolarHBondContact OG-N 2.94Å; Q399-E401 PolarHBondContact O-N 3.13Å; Q399-L402 HydrophobicContact CB-CB 4.34Å; Q399-L402 HydrophobicContact CB-CD1 4.12Å; Q399-L402 HydrophobicContact CB-CG 4.09Å; Q399-L402 PolarHBondContact O-N 3.19Å; Q399-L402 VanDerWaalsContact O-N 3.14Å; Q399-L402 VanDerWaalsContact OE1-CD1 3.29Å; Q399-K403 PolarHBondContact O-N 3.34Å; Q399-K403 VanDerWaalsContact O-N 3.07Å |
| 400 | W | 95.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -30.5 | -173.3 | 71.7 | -85.8 | 0 | 0 | 0 | 111.2 | Y308 M313 L402 K403 E404 R440 L442 I443 | Y308-W400 HydrophobicContact CD2-CH2 4.49Å; Y308-W400 HydrophobicContact CD2-CZ3 4.49Å; M313-W400 HydrophobicContact CE-CH2 3.68Å; M313-W400 HydrophobicContact CE-CZ2 3.52Å; M313-W400 HydrophobicContact SD-CH2 3.78Å; M313-W400 HydrophobicContact SD-CZ2 4.08Å; W400-L402 VanDerWaalsContact C-N 3.27Å; W400-L402 PolarHBondContact O-N 2.92Å; W400-K403 PolarHBondContact O-N 2.89Å; W400-E404 HydrophobicContact CE3-CB 4.24Å; W400-E404 HydrophobicContact CZ3-CB 4.39Å; W400-E404 HydrophobicContact CZ3-CG 4.37Å; W400-E404 WeakPolarHBondContact O-CB 3.29Å; W400-E404 PolarHBondContact O-N 3.21Å; W400-R440 HydrophobicContact CD2-CG 4.43Å; W400-R440 HydrophobicContact CG-CG 4.33Å; W400-L442 HydrophobicContact CH2-CD1 3.63Å; W400-L442 HydrophobicContact CZ3-CB 3.95Å; W400-L442 HydrophobicContact CZ3-CD1 3.8Å; W400-L442 HydrophobicContact CZ3-CG 4.48Å; W400-I443 HydrophobicContact CE3-CG1 4.4Å |
| 401 | E | 95.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 45 Ų | 45 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 176.7 | -58 | 84.3 | 169.4 | 0 | 0 | 111.6 | Q399 S405 | Q399-E401 PolarHBondContact O-N 3.13Å; E401-S405 PolarHBondContact O-N 3.31Å; E401-S405 VanDerWaalsContact O-N 3.07Å |
| 402 | L | 97.2 | Very high | 97.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.2 | -39.5 | 176.3 | -62.9 | -175.9 | 0 | 0 | 0 | 111.4 | L394 Q399 W400 E404 S405 G406 | L394-L402 WeakPolarHBondContact CB-O 3.18Å; L394-L402 HydrophobicContact CD2-CB 3.92Å; L394-L402 HydrophobicContact CD2-CD2 4.12Å; L394-L402 HydrophobicContact CD2-CG 4.47Å; Q399-L402 HydrophobicContact CB-CB 4.34Å; Q399-L402 HydrophobicContact CB-CD1 4.12Å; Q399-L402 HydrophobicContact CB-CG 4.09Å; Q399-L402 PolarHBondContact O-N 3.19Å; Q399-L402 VanDerWaalsContact O-N 3.14Å; Q399-L402 VanDerWaalsContact OE1-CD1 3.29Å; W400-L402 VanDerWaalsContact C-N 3.27Å; W400-L402 PolarHBondContact O-N 2.92Å; L402-E404 VanDerWaalsContact C-N 3.3Å; L402-E404 PolarHBondContact O-N 2.88Å; L402-S405 PolarHBondContact O-N 2.96Å; L402-S405 PolarHBondContact O-OG 3.5Å; L402-G406 PolarHBondContact O-N 3.03Å |
| 403 | K | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 172.2 | 177.9 | -176.1 | 173.7 | -170 | 0 | 111 | L394 Q399 W400 G406 I407 D438 I443 | L394-K403 VanDerWaalsContact O-CA 3.22Å; L394-K403 WeakPolarHBondContact O-CA 3.18Å; L394-K403 PolarHBondContact O-N 3.37Å; Q399-K403 PolarHBondContact O-N 3.34Å; Q399-K403 VanDerWaalsContact O-N 3.07Å; W400-K403 PolarHBondContact O-N 2.89Å; K403-G406 PolarHBondContact O-N 2.94Å; K403-I407 HydrophobicContact CG-CD1 4.42Å; K403-I407 WeakPolarHBondContact O-CG1 3.47Å; K403-I407 PolarHBondContact O-N 3.14Å; K403-I407 VanDerWaalsContact O-N 3.12Å; K403-D438 IonicContact NZ-OD2 2.55Å; K403-D438 PolarHBondContact NZ-OD2 3.2Å; K403-I443 HydrophobicContact CB-CD1 4.27Å; K403-I443 HydrophobicContact CD-CD1 4.13Å; K403-I443 HydrophobicContact CG-CD1 4.05Å |
| 404 | E | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 178.2 | -163.9 | -72.7 | 157.6 | 0 | 0 | 110.8 | Y308 R365 W400 L402 G406 I407 L408 L442 I443 I446 | Y308-E404 HydrophobicContact CE2-CG 4.17Å; Y308-E404 WeakPolarHBondContact CE2-OE2 3.22Å; R365-E404 IonicContact CZ-OE1 2.79Å; R365-E404 IonicContact CZ-OE2 3.69Å; R365-E404 IonicContact NH1-OE2 3.6Å; R365-E404 PolarHBondContact NH1-OE2 3.47Å; R365-E404 IonicContact NH2-OE1 3.55Å; R365-E404 PolarHBondContact NH2-OE1 3.34Å; R365-E404 IonicContact NH2-OE2 2.72Å; R365-E404 PolarHBondContact NH2-OE2 3.06Å; W400-E404 HydrophobicContact CE3-CB 4.24Å; W400-E404 HydrophobicContact CZ3-CB 4.39Å; W400-E404 HydrophobicContact CZ3-CG 4.37Å; W400-E404 WeakPolarHBondContact O-CB 3.29Å; W400-E404 PolarHBondContact O-N 3.21Å; L402-E404 VanDerWaalsContact C-N 3.3Å; L402-E404 PolarHBondContact O-N 2.88Å; E404-G406 VanDerWaalsContact C-N 3.29Å; E404-G406 PolarHBondContact O-N 3.19Å; E404-I407 WeakPolarHBondContact O-CB 3.45Å; E404-I407 PolarHBondContact O-N 3.05Å; E404-L408 PolarHBondContact O-N 2.94Å; E404-L442 HydrophobicContact CG-CB 4.48Å; E404-I443 HydrophobicContact CB-CD1 3.45Å; E404-I443 VanDerWaalsContact CB-CD1 3.45Å; E404-I443 HydrophobicContact CB-CG1 4.44Å; E404-I443 HydrophobicContact CG-CD1 3.94Å; E404-I446 HydrophobicContact CG-CG2 3.79Å; E404-I446 VanDerWaalsContact OE1-CB 3.22Å; E404-I446 WeakPolarHBondContact OE1-CB 3.39Å; E404-I446 WeakPolarHBondContact OE1-CG1 3.47Å; E404-I446 WeakPolarHBondContact OE1-CG2 3.32Å |
| 405 | S | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 178.1 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | E401 L402 I407 L408 V409 | E401-S405 PolarHBondContact O-N 3.31Å; E401-S405 VanDerWaalsContact O-N 3.07Å; L402-S405 PolarHBondContact O-N 2.96Å; L402-S405 PolarHBondContact O-OG 3.5Å; S405-I407 VanDerWaalsContact C-N 3.31Å; S405-I407 PolarHBondContact O-N 3Å; S405-L408 WeakPolarHBondContact O-CB 3.42Å; S405-L408 PolarHBondContact O-N 3.36Å; S405-V409 WeakPolarHBondContact O-CG2 3.42Å; S405-V409 PolarHBondContact O-N 3.4Å |
| 406 | G | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L402 K403 E404 V409 L410 | L402-G406 PolarHBondContact O-N 3.03Å; K403-G406 PolarHBondContact O-N 2.94Å; E404-G406 VanDerWaalsContact C-N 3.29Å; E404-G406 PolarHBondContact O-N 3.19Å; G406-V409 PolarHBondContact O-N 3.08Å; G406-L410 PolarHBondContact O-N 3.44Å |
| 407 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.7 | -39.7 | 175.2 | -63.2 | 167.6 | 0 | 0 | 0 | 110.6 | L395 K403 E404 S405 V409 L410 G411 L432 C435 I443 I446 T450 | L395-I407 HydrophobicContact CD2-CG1 3.7Å; K403-I407 HydrophobicContact CG-CD1 4.42Å; K403-I407 WeakPolarHBondContact O-CG1 3.47Å; K403-I407 PolarHBondContact O-N 3.14Å; K403-I407 VanDerWaalsContact O-N 3.12Å; E404-I407 WeakPolarHBondContact O-CB 3.45Å; E404-I407 PolarHBondContact O-N 3.05Å; S405-I407 VanDerWaalsContact C-N 3.31Å; S405-I407 PolarHBondContact O-N 3Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.37Å; I407-L410 PolarHBondContact O-N 3.1Å; I407-G411 PolarHBondContact O-N 3.22Å; I407-G411 VanDerWaalsContact O-N 3.16Å; I407-L432 HydrophobicContact CG1-CD2 4.11Å; I407-L432 HydrophobicContact CG2-CD2 3.96Å; I407-C435 HydrophobicContact CD1-CB 4.34Å; I407-I443 HydrophobicContact CD1-CD1 4.36Å; I407-I443 HydrophobicContact CD1-CG2 4.06Å; I407-I446 HydrophobicContact CB-CG2 4.07Å; I407-I446 HydrophobicContact CG2-CG1 4.24Å; I407-I446 HydrophobicContact CG2-CG2 3.85Å; I407-T450 HydrophobicContact CG2-CG2 4.12Å; I407-T450 PolarHBondContact O-OG1 2.93Å |
| 408 | L | 98.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 7% | 0.073 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 172.8 | 175.9 | 65 | 0 | 0 | 0 | 111.4 | M306 R365 A369 E404 S405 L410 G411 A412 I446 W449 | M306-L408 HydrophobicContact CB-CD2 4.16Å; M306-L408 HydrophobicContact CE-CB 4.17Å; M306-L408 HydrophobicContact CE-CD1 4.48Å; M306-L408 HydrophobicContact CE-CD2 3.67Å; M306-L408 HydrophobicContact CE-CG 3.43Å; M306-L408 VanDerWaalsContact CE-CG 3.43Å; M306-L408 HydrophobicContact CG-CD2 4.44Å; R365-L408 HydrophobicContact CG-CD2 4.34Å; A369-L408 HydrophobicContact CB-CD1 4.29Å; A369-L408 HydrophobicContact CB-CD2 4.06Å; A369-L408 HydrophobicContact CB-CG 4.35Å; E404-L408 PolarHBondContact O-N 2.94Å; S405-L408 WeakPolarHBondContact O-CB 3.42Å; S405-L408 PolarHBondContact O-N 3.36Å; L408-L410 VanDerWaalsContact C-N 3.33Å; L408-L410 PolarHBondContact O-N 3.4Å; L408-G411 PolarHBondContact O-N 2.77Å; L408-A412 WeakPolarHBondContact O-CB 3.37Å; L408-A412 PolarHBondContact O-N 2.91Å; L408-I446 HydrophobicContact CB-CD1 3.96Å; L408-I446 HydrophobicContact CB-CG1 3.97Å; L408-I446 HydrophobicContact CD1-CD1 3.61Å; L408-I446 HydrophobicContact CG-CD1 4.31Å; L408-W449 HydrophobicContact CD1-CE3 4.35Å; L408-W449 HydrophobicContact CD1-CH2 4.22Å; L408-W449 HydrophobicContact CD1-CZ3 3.75Å |
| 409 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -46.1 | 174.9 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | V303 M306 L372 L387 T391 S405 G406 I407 G411 A412 I413 | V303-V409 HydrophobicContact CG1-CG2 4.25Å; V303-V409 HydrophobicContact CG2-CG2 4.13Å; M306-V409 HydrophobicContact CE-CB 4.34Å; M306-V409 HydrophobicContact CE-CG2 3.67Å; M306-V409 HydrophobicContact SD-CG2 3.69Å; L372-V409 HydrophobicContact CD2-CB 4.43Å; L372-V409 HydrophobicContact CD2-CG1 4.08Å; L372-V409 HydrophobicContact CD2-CG2 4.17Å; L387-V409 HydrophobicContact CD1-CG1 3.75Å; L387-V409 HydrophobicContact CD2-CG1 4.12Å; L387-V409 HydrophobicContact CG-CG1 4.08Å; T391-V409 HydrophobicContact CG2-CB 4.37Å; T391-V409 HydrophobicContact CG2-CG1 3.99Å; T391-V409 VanDerWaalsContact OG1-CG1 3.31Å; T391-V409 WeakPolarHBondContact OG1-CG1 3.47Å; S405-V409 WeakPolarHBondContact O-CG2 3.42Å; S405-V409 PolarHBondContact O-N 3.4Å; G406-V409 PolarHBondContact O-N 3.08Å; I407-V409 VanDerWaalsContact C-N 3.33Å; I407-V409 PolarHBondContact O-N 3.37Å; V409-G411 VanDerWaalsContact C-N 3.33Å; V409-G411 PolarHBondContact O-N 3.42Å; V409-A412 PolarHBondContact O-N 3.48Å; V409-I413 WeakPolarHBondContact O-CG1 3.31Å; V409-I413 PolarHBondContact O-N 2.89Å; V409-I413 VanDerWaalsContact O-N 3.17Å |
| 410 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.6 | -69.6 | 177.9 | 0 | 0 | 0 | 112.1 | T391 L395 G406 I407 L408 I413 A414 M421 L428 L432 T450 Y454 | T391-L410 HydrophobicContact CG2-CD2 3.84Å; T391-L410 HydrophobicContact CG2-CG 3.95Å; L395-L410 HydrophobicContact CD1-CD1 3.9Å; L395-L410 HydrophobicContact CD2-CD1 4.08Å; G406-L410 PolarHBondContact O-N 3.44Å; I407-L410 PolarHBondContact O-N 3.1Å; L408-L410 VanDerWaalsContact C-N 3.33Å; L408-L410 PolarHBondContact O-N 3.4Å; L410-I413 WeakPolarHBondContact O-CG1 3.34Å; L410-A414 PolarHBondContact O-N 2.91Å; L410-M421 HydrophobicContact CD2-CE 3.85Å; L410-L428 HydrophobicContact CD1-CD2 4.37Å; L410-L428 HydrophobicContact CD2-CD1 4.24Å; L410-L432 HydrophobicContact CD1-CD1 4.2Å; L410-L432 HydrophobicContact CD1-CD2 4.16Å; L410-L432 HydrophobicContact CD1-CG 4.5Å; L410-T450 HydrophobicContact CB-CG2 3.93Å; L410-Y454 PolarHBondContact O-OH 2.77Å |
| 411 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.4 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I407 L408 V409 I413 A414 | I407-G411 PolarHBondContact O-N 3.22Å; I407-G411 VanDerWaalsContact O-N 3.16Å; L408-G411 PolarHBondContact O-N 2.77Å; V409-G411 VanDerWaalsContact C-N 3.33Å; V409-G411 PolarHBondContact O-N 3.42Å; G411-I413 VanDerWaalsContact C-N 3.34Å; G411-I413 PolarHBondContact O-N 3.38Å; G411-A414 WeakPolarHBondContact O-CB 3.31Å; G411-A414 PolarHBondContact O-N 2.95Å |
| 412 | A | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | M306 L372 D373 L408 V409 A414 | M306-A412 HydrophobicContact CE-CB 4.26Å; L372-A412 HydrophobicContact CD2-CB 4.32Å; D373-A412 WeakPolarHBondContact CA-O 3.5Å; D373-A412 HydrophobicContact CB-CB 4.38Å; D373-A412 VanDerWaalsContact CG-O 3.31Å; L408-A412 WeakPolarHBondContact O-CB 3.37Å; L408-A412 PolarHBondContact O-N 2.91Å; V409-A412 PolarHBondContact O-N 3.48Å; A412-A414 VanDerWaalsContact C-N 3.35Å |
| 413 | I | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4.4 | -178.3 | 70.7 | 177.1 | 0 | 0 | 0 | 114.6 | L372 A376 F383 L384 L387 V409 L410 G411 E415 C417 M421 | L372-I413 HydrophobicContact CD2-CG2 4.01Å; L372-I413 HydrophobicContact CG-CG2 4.25Å; A376-I413 HydrophobicContact CB-CB 3.99Å; A376-I413 HydrophobicContact CB-CG2 3.94Å; F383-I413 HydrophobicContact CD1-CG2 4.5Å; F383-I413 HydrophobicContact CE1-CG2 4.39Å; L384-I413 HydrophobicContact CD2-CD1 4.04Å; L387-I413 HydrophobicContact CD2-CB 4.35Å; L387-I413 HydrophobicContact CD2-CD1 3.62Å; L387-I413 HydrophobicContact CD2-CG1 4.5Å; L387-I413 HydrophobicContact CD2-CG2 3.44Å; L387-I413 VanDerWaalsContact CD2-CG2 3.44Å; V409-I413 WeakPolarHBondContact O-CG1 3.31Å; V409-I413 PolarHBondContact O-N 2.89Å; V409-I413 VanDerWaalsContact O-N 3.17Å; L410-I413 WeakPolarHBondContact O-CG1 3.34Å; G411-I413 VanDerWaalsContact C-N 3.34Å; G411-I413 PolarHBondContact O-N 3.38Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 2.81Å; I413-C417 HydrophobicContact CB-CB 4.26Å; I413-C417 VanDerWaalsContact O-CB 3.3Å; I413-C417 WeakPolarHBondContact O-CB 3.18Å; I413-C417 PolarHBondContact O-N 3.48Å; I413-M421 HydrophobicContact CD1-CE 4.43Å; I413-M421 HydrophobicContact CD1-CG 4.39Å; I413-M421 HydrophobicContact CD1-SD 3.92Å |
| 414 | A | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -47.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L410 G411 A412 M418 R453 Y454 | L410-A414 PolarHBondContact O-N 2.91Å; G411-A414 WeakPolarHBondContact O-CB 3.31Å; G411-A414 PolarHBondContact O-N 2.95Å; A412-A414 VanDerWaalsContact C-N 3.35Å; A414-M418 VanDerWaalsContact O-CA 3.31Å; A414-M418 WeakPolarHBondContact O-CA 3.32Å; A414-M418 VanDerWaalsContact O-CB 3.27Å; A414-M418 WeakPolarHBondContact O-CB 3.38Å; A414-M418 PolarHBondContact O-N 3.18Å; A414-M418 VanDerWaalsContact O-N 3.13Å; A414-R453 HydrophobicContact CB-CB 3.57Å; A414-Y454 HydrophobicContact CB-CD1 4.32Å; A414-Y454 HydrophobicContact CB-CD2 4.44Å; A414-Y454 HydrophobicContact CB-CE1 3.76Å; A414-Y454 HydrophobicContact CB-CE2 3.94Å |
| 415 | E | 92.4 | Very high | 97.3 | Very high | 127 Ų | 127 | 32.9 Ų | 32.9 | 59% | 0.593 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -71.3 | -54.4 | -177.7 | -171.8 | 167.8 | 172.4 | 0 | 0 | 111.8 | I413 C417 R453 | I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 2.81Å; E415-C417 PolarHBondContact O-N 3.15Å; E415-R453 IonicContact OE2-CZ 2.77Å; E415-R453 IonicContact OE2-NH1 2.69Å; E415-R453 PolarHBondContact OE2-NH1 3.27Å; E415-R453 IonicContact OE2-NH2 3.29Å; E415-R453 PolarHBondContact OE2-NH2 3.13Å |
| 416 | G | 95.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -31.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A376 S377 H380 | A376-G416 CarbonylContact O-C 3.59Å; A376-G416 WeakPolarHBondContact O-CA 3.46Å; S377-G416 WeakPolarHBondContact OG-CA 3.42Å; H380-G416 PolarHBondContact ND1-O 3.18Å |
| 417 | C | 97.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -110.1 | 8 | -175.7 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | H380 L384 I413 E415 K419 G420 M421 | H380-C417 PolarHBondContact O-SG 2.95Å; L384-C417 HydrophobicContact CD1-CB 4.41Å; L384-C417 HydrophobicContact CD2-CB 3.87Å; L384-C417 HydrophobicContact CG-CB 4.32Å; I413-C417 HydrophobicContact CB-CB 4.26Å; I413-C417 VanDerWaalsContact O-CB 3.3Å; I413-C417 WeakPolarHBondContact O-CB 3.18Å; I413-C417 PolarHBondContact O-N 3.48Å; E415-C417 PolarHBondContact O-N 3.15Å; C417-K419 VanDerWaalsContact C-N 3.3Å; C417-K419 PolarHBondContact O-N 3.14Å; C417-K419 VanDerWaalsContact O-N 3.08Å; C417-G420 PolarHBondContact O-N 3.44Å; C417-M421 HydrophobicContact CB-CG 4.15Å; C417-M421 PolarHBondContact O-N 2.75Å |
| 418 | M | 96.3 | Very high | 97.2 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 23% | 0.232 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -45.4 | -49.7 | -171.8 | -173.4 | 59.2 | 76.1 | 0 | 0 | 113.5 | A414 G420 M421 I422 L425 Y454 | A414-M418 VanDerWaalsContact O-CA 3.31Å; A414-M418 WeakPolarHBondContact O-CA 3.32Å; A414-M418 VanDerWaalsContact O-CB 3.27Å; A414-M418 WeakPolarHBondContact O-CB 3.38Å; A414-M418 PolarHBondContact O-N 3.18Å; A414-M418 VanDerWaalsContact O-N 3.13Å; M418-G420 VanDerWaalsContact C-N 3.29Å; M418-G420 PolarHBondContact O-N 3.39Å; M418-M421 PolarHBondContact O-N 3.46Å; M418-I422 WeakPolarHBondContact O-CG1 3.29Å; M418-I422 PolarHBondContact O-N 3.09Å; M418-L425 HydrophobicContact SD-CD1 4.08Å; M418-Y454 HydrophobicContact CE-CD1 3.7Å; M418-Y454 HydrophobicContact CE-CE1 4.02Å; M418-Y454 HydrophobicContact SD-CD1 3.97Å; M418-Y454 HydrophobicContact SD-CE1 4.09Å |
| 419 | K | 95.3 | Very high | 97.2 | Very high | 185 Ų | 185 | 44 Ų | 44 | 80% | 0.804 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.2 | -39.5 | -179.1 | -69.2 | -179.3 | -177.2 | 169.9 | 0 | 113.3 | C417 | C417-K419 VanDerWaalsContact C-N 3.3Å; C417-K419 PolarHBondContact O-N 3.14Å; C417-K419 VanDerWaalsContact O-N 3.08Å |
| 420 | G | 96.2 | Very high | 97.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -80.6 | -21.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C417 M418 P423 Y424 | C417-G420 PolarHBondContact O-N 3.44Å; M418-G420 VanDerWaalsContact C-N 3.29Å; M418-G420 PolarHBondContact O-N 3.39Å; G420-P423 WeakPolarHBondContact O-CD 3.45Å; G420-Y424 WeakPolarHBondContact O-CD2 3.44Å; G420-Y424 WeakPolarHBondContact O-CE2 3.45Å |
| 421 | M | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80.8 | -29.3 | 177.6 | -71.3 | -56.8 | -65.7 | 0 | 0 | 113.5 | L384 L388 L410 I413 C417 M418 P423 Y424 L425 L428 | L384-M421 HydrophobicContact CD1-SD 4.38Å; L384-M421 HydrophobicContact CD2-CG 4.44Å; L384-M421 HydrophobicContact CD2-SD 3.79Å; L388-M421 HydrophobicContact CD2-CE 4.22Å; L388-M421 HydrophobicContact CD2-SD 3.83Å; L410-M421 HydrophobicContact CD2-CE 3.85Å; I413-M421 HydrophobicContact CD1-CE 4.43Å; I413-M421 HydrophobicContact CD1-CG 4.39Å; I413-M421 HydrophobicContact CD1-SD 3.92Å; C417-M421 HydrophobicContact CB-CG 4.15Å; C417-M421 PolarHBondContact O-N 2.75Å; M418-M421 PolarHBondContact O-N 3.46Å; M421-P423 VanDerWaalsContact C-N 3.3Å; M421-P423 VanDerWaalsContact O-N 3.08Å; M421-Y424 WeakPolarHBondContact O-CA 3.23Å; M421-Y424 WeakPolarHBondContact O-CB 3.15Å; M421-Y424 PolarHBondContact O-N 2.97Å; M421-L425 HydrophobicContact CB-CD2 4.34Å; M421-L425 HydrophobicContact CB-CG 4.5Å; M421-L425 WeakPolarHBondContact O-CG 3.37Å; M421-L425 PolarHBondContact O-N 3.2Å; M421-L428 HydrophobicContact CE-CD1 3.49Å; M421-L428 VanDerWaalsContact CE-CD1 3.49Å |
| 422 | I | 97.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43 | -45 | -179 | -74.2 | 166.1 | 0 | 0 | 0 | 114.2 | M418 Y424 L425 P426 | M418-I422 WeakPolarHBondContact O-CG1 3.29Å; M418-I422 PolarHBondContact O-N 3.09Å; I422-Y424 PolarHBondContact O-N 3.39Å; I422-L425 HydrophobicContact CG1-CD1 4.43Å; I422-L425 PolarHBondContact O-N 3.22Å; I422-P426 VanDerWaalsContact O-CD 3.24Å; I422-P426 WeakPolarHBondContact O-CD 3.25Å |
| 423 | P | 97.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.6 | 178.4 | -24.1 | 35.7 | 0 | 0 | 0 | 114.9 | G420 M421 | G420-P423 WeakPolarHBondContact O-CD 3.45Å; M421-P423 VanDerWaalsContact C-N 3.3Å; M421-P423 VanDerWaalsContact O-N 3.08Å |
| 424 | Y | 97.2 | Very high | 97.2 | Very high | 115 Ų | 115 | 52.5 Ų | 52.5 | 45% | 0.451 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -24.2 | -177.4 | -54.1 | -84.5 | 0 | 0 | 0 | 112.8 | L388 G420 M421 I422 P426 E427 L428 | L388-Y424 HydrophobicContact CD1-CD2 4.18Å; L388-Y424 HydrophobicContact CD1-CE1 4.11Å; L388-Y424 HydrophobicContact CD1-CE2 3.57Å; G420-Y424 WeakPolarHBondContact O-CD2 3.44Å; G420-Y424 WeakPolarHBondContact O-CE2 3.45Å; M421-Y424 WeakPolarHBondContact O-CA 3.23Å; M421-Y424 WeakPolarHBondContact O-CB 3.15Å; M421-Y424 PolarHBondContact O-N 2.97Å; I422-Y424 PolarHBondContact O-N 3.39Å; Y424-P426 VanDerWaalsContact C-N 3.34Å; Y424-E427 PolarHBondContact O-N 2.89Å; Y424-E427 VanDerWaalsContact O-N 3.09Å; Y424-L428 WeakPolarHBondContact O-CG 3.49Å; Y424-L428 PolarHBondContact O-N 2.87Å |
| 425 | L | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.8 | -34.7 | -178 | -62.2 | -176.7 | 0 | 0 | 0 | 115.2 | M418 M421 I422 E427 L428 C429 Y454 W457 | M418-L425 HydrophobicContact SD-CD1 4.08Å; M421-L425 HydrophobicContact CB-CD2 4.34Å; M421-L425 HydrophobicContact CB-CG 4.5Å; M421-L425 WeakPolarHBondContact O-CG 3.37Å; M421-L425 PolarHBondContact O-N 3.2Å; I422-L425 HydrophobicContact CG1-CD1 4.43Å; I422-L425 PolarHBondContact O-N 3.22Å; L425-E427 PolarHBondContact O-N 3.22Å; L425-L428 PolarHBondContact O-N 3.17Å; L425-C429 WeakPolarHBondContact O-CB 3.49Å; L425-C429 PolarHBondContact O-N 3.03Å; L425-C429 PolarHBondContact O-SG 3.22Å; L425-Y454 HydrophobicContact CD1-CD1 4.02Å; L425-Y454 HydrophobicContact CD1-CE1 4.34Å; L425-Y454 HydrophobicContact CD2-CD1 3.68Å; L425-Y454 HydrophobicContact CD2-CE1 3.57Å; L425-Y454 HydrophobicContact CD2-CG 4.31Å; L425-W457 HydrophobicContact CB-CD2 3.94Å; L425-W457 HydrophobicContact CB-CE3 3.86Å; L425-W457 HydrophobicContact CB-CH2 3.54Å; L425-W457 HydrophobicContact CB-CZ2 3.6Å; L425-W457 HydrophobicContact CB-CZ3 3.68Å; L425-W457 HydrophobicContact CD1-CB 4.07Å; L425-W457 HydrophobicContact CD1-CD2 3.43Å; L425-W457 VanDerWaalsContact CD1-CD2 3.43Å; L425-W457 HydrophobicContact CD1-CE3 3.89Å; L425-W457 HydrophobicContact CD1-CG 3.49Å; L425-W457 VanDerWaalsContact CD1-CG 3.49Å; L425-W457 HydrophobicContact CD1-CZ2 4.45Å; L425-W457 HydrophobicContact CG-CD2 4.32Å; L425-W457 HydrophobicContact CG-CE3 4.47Å |
| 426 | P | 98.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 46.8 Ų | 46.8 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.8 | -29.5 | 175.2 | -29.1 | 36.8 | 0 | 0 | 0 | 114.7 | I422 Y424 P430 W457 | I422-P426 VanDerWaalsContact O-CD 3.24Å; I422-P426 WeakPolarHBondContact O-CD 3.25Å; Y424-P426 VanDerWaalsContact C-N 3.34Å; P426-P430 VanDerWaalsContact O-CD 3.26Å; P426-P430 WeakPolarHBondContact O-CD 3.4Å; P426-P430 WeakPolarHBondContact O-CG 3.34Å; P426-W457 HydrophobicContact CG-CH2 4.26Å; P426-W457 HydrophobicContact CG-CZ2 4.19Å |
| 427 | E | 97.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 49.5 Ų | 49.5 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -95.9 | -40.3 | 175.6 | -172.1 | 176.8 | 178.6 | 0 | 0 | 111.4 | Y424 L425 F431 | Y424-E427 PolarHBondContact O-N 2.89Å; Y424-E427 VanDerWaalsContact O-N 3.09Å; L425-E427 PolarHBondContact O-N 3.22Å; E427-F431 WeakPolarHBondContact O-CB 3.45Å; E427-F431 PolarHBondContact O-N 2.9Å |
| 428 | L | 97.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68 | -42.9 | -177.1 | -70.1 | 175.4 | 0 | 0 | 0 | 113.2 | L395 L410 M421 Y424 L425 F431 L432 | L395-L428 HydrophobicContact CD1-CD2 4.41Å; L410-L428 HydrophobicContact CD1-CD2 4.37Å; L410-L428 HydrophobicContact CD2-CD1 4.24Å; M421-L428 HydrophobicContact CE-CD1 3.49Å; M421-L428 VanDerWaalsContact CE-CD1 3.49Å; Y424-L428 WeakPolarHBondContact O-CG 3.49Å; Y424-L428 PolarHBondContact O-N 2.87Å; L425-L428 PolarHBondContact O-N 3.17Å; L428-F431 WeakPolarHBondContact O-CB 3.45Å; L428-F431 PolarHBondContact O-N 2.93Å; L428-L432 WeakPolarHBondContact O-CB 3.06Å; L428-L432 VanDerWaalsContact O-CG 3.32Å; L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.01Å |
| 429 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -48.3 | -176.9 | -67.8 | 0 | 0 | 0 | 0 | 112 | L425 F431 L432 I433 W457 I458 Y466 | L425-C429 WeakPolarHBondContact O-CB 3.49Å; L425-C429 PolarHBondContact O-N 3.03Å; L425-C429 PolarHBondContact O-SG 3.22Å; C429-F431 VanDerWaalsContact C-N 3.3Å; C429-F431 PolarHBondContact O-N 3.45Å; C429-L432 PolarHBondContact O-N 3.43Å; C429-I433 WeakPolarHBondContact O-CB 3.36Å; C429-I433 VanDerWaalsContact O-CG1 3.23Å; C429-I433 WeakPolarHBondContact O-CG1 3.45Å; C429-I433 PolarHBondContact O-N 3.28Å; C429-W457 HydrophobicContact CB-CZ3 4.12Å; C429-W457 VanDerWaalsContact SG-CZ3 3.56Å; C429-I458 HydrophobicContact CB-CD1 4.49Å; C429-Y466 HydrophobicContact CB-CD1 4.23Å |
| 430 | P | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60 | -37.7 | 173.5 | -26.3 | 36.6 | 0 | 0 | 0 | 113.6 | P426 G434 Y466 | P426-P430 VanDerWaalsContact O-CD 3.26Å; P426-P430 WeakPolarHBondContact O-CD 3.4Å; P426-P430 WeakPolarHBondContact O-CG 3.34Å; P430-G434 PolarHBondContact O-N 2.97Å; P430-Y466 HydrophobicContact CG-CD1 4.31Å; P430-Y466 HydrophobicContact CG-CE1 3.92Å |
| 431 | F | 98.3 | Very high | 97.6 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 174.5 | 168 | -96.4 | 0 | 0 | 0 | 111.7 | L395 F396 E427 L428 C429 G434 C435 | L395-F431 HydrophobicContact CB-CE1 4.43Å; L395-F431 HydrophobicContact CB-CZ 4.4Å; L395-F431 HydrophobicContact CD2-CE1 4.19Å; F396-F431 HydrophobicContact CE1-CE2 4.05Å; F396-F431 HydrophobicContact CZ-CE2 4.5Å; E427-F431 WeakPolarHBondContact O-CB 3.45Å; E427-F431 PolarHBondContact O-N 2.9Å; L428-F431 WeakPolarHBondContact O-CB 3.45Å; L428-F431 PolarHBondContact O-N 2.93Å; C429-F431 VanDerWaalsContact C-N 3.3Å; C429-F431 PolarHBondContact O-N 3.45Å; F431-G434 WeakPolarHBondContact O-CA 3.26Å; F431-G434 PolarHBondContact O-N 2.93Å; F431-G434 VanDerWaalsContact O-N 3.11Å; F431-C435 PolarHBondContact O-N 3.1Å |
| 432 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.7 | -71.9 | 172.3 | 0 | 0 | 0 | 111.7 | I407 L410 L428 C429 G434 C435 L436 T447 T450 L451 | I407-L432 HydrophobicContact CG1-CD2 4.11Å; I407-L432 HydrophobicContact CG2-CD2 3.96Å; L410-L432 HydrophobicContact CD1-CD1 4.2Å; L410-L432 HydrophobicContact CD1-CD2 4.16Å; L410-L432 HydrophobicContact CD1-CG 4.5Å; L428-L432 WeakPolarHBondContact O-CB 3.06Å; L428-L432 VanDerWaalsContact O-CG 3.32Å; L428-L432 WeakPolarHBondContact O-CG 3.43Å; L428-L432 PolarHBondContact O-N 3.01Å; C429-L432 PolarHBondContact O-N 3.43Å; L432-G434 PolarHBondContact O-N 3.47Å; L432-C435 WeakPolarHBondContact O-CA 3.31Å; L432-C435 WeakPolarHBondContact O-CB 3.42Å; L432-C435 PolarHBondContact O-N 3.29Å; L432-L436 PolarHBondContact O-N 3.4Å; L432-T447 HydrophobicContact CB-CG2 4.34Å; L432-T447 WeakPolarHBondContact O-CG2 3.17Å; L432-T450 HydrophobicContact CD1-CG2 3.99Å; L432-T450 HydrophobicContact CD2-CG2 4.48Å; L432-L451 HydrophobicContact CB-CD1 4.19Å; L432-L451 HydrophobicContact CB-CD2 3.71Å; L432-L451 HydrophobicContact CB-CG 3.97Å; L432-L451 HydrophobicContact CD1-CD2 4.22Å |
| 433 | I | 98.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -37.8 | 173.5 | -68.6 | 164.7 | 0 | 0 | 0 | 110.3 | C429 L436 L451 P469 L470 E473 | C429-I433 WeakPolarHBondContact O-CB 3.36Å; C429-I433 VanDerWaalsContact O-CG1 3.23Å; C429-I433 WeakPolarHBondContact O-CG1 3.45Å; C429-I433 PolarHBondContact O-N 3.28Å; I433-L436 WeakPolarHBondContact O-CB 3.47Å; I433-L436 PolarHBondContact O-N 3.33Å; I433-L451 HydrophobicContact CG1-CD1 4.15Å; I433-L451 HydrophobicContact CG1-CD2 4.17Å; I433-P469 HydrophobicContact CD1-CB 4.36Å; I433-P469 HydrophobicContact CG2-CB 4.31Å; I433-L470 HydrophobicContact CD1-CB 4.02Å; I433-L470 HydrophobicContact CG1-CB 4.28Å; I433-L470 HydrophobicContact CG1-CD1 4.24Å; I433-E473 HydrophobicContact CG2-CB 4.33Å; I433-E473 HydrophobicContact CG2-CG 3.82Å |
| 434 | G | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P430 F431 L432 L436 S437 | P430-G434 PolarHBondContact O-N 2.97Å; F431-G434 WeakPolarHBondContact O-CA 3.26Å; F431-G434 PolarHBondContact O-N 2.93Å; F431-G434 VanDerWaalsContact O-N 3.11Å; L432-G434 PolarHBondContact O-N 3.47Å; G434-L436 PolarHBondContact O-N 3.07Å; G434-S437 PolarHBondContact O-N 3.27Å |
| 435 | C | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.4 | -18.4 | 176 | -69.1 | 0 | 0 | 0 | 0 | 113.6 | I407 F431 L432 S437 D438 I443 T447 | I407-C435 HydrophobicContact CD1-CB 4.34Å; F431-C435 PolarHBondContact O-N 3.1Å; L432-C435 WeakPolarHBondContact O-CA 3.31Å; L432-C435 WeakPolarHBondContact O-CB 3.42Å; L432-C435 PolarHBondContact O-N 3.29Å; C435-S437 PolarHBondContact O-N 3.3Å; C435-D438 VanDerWaalsContact O-CB 3.28Å; C435-D438 WeakPolarHBondContact O-CB 3.43Å; C435-D438 PolarHBondContact O-N 3.39Å; C435-D438 VanDerWaalsContact O-N 3.1Å; C435-I443 HydrophobicContact CB-CG2 4.27Å; C435-T447 HydrophobicContact CB-CG2 3.83Å |
| 436 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.5 | 170.2 | -66.6 | 173.1 | 0 | 0 | 0 | 111.5 | L432 I433 G434 R444 T447 C448 L451 L470 E473 L474 R477 | L432-L436 PolarHBondContact O-N 3.4Å; I433-L436 WeakPolarHBondContact O-CB 3.47Å; I433-L436 PolarHBondContact O-N 3.33Å; G434-L436 PolarHBondContact O-N 3.07Å; L436-R444 WeakPolarHBondContact O-CD 3.47Å; L436-R444 VanDerWaalsContact O-CG 3.3Å; L436-R444 WeakPolarHBondContact O-CG 3.5Å; L436-T447 HydrophobicContact CD2-CG2 3.67Å; L436-T447 HydrophobicContact CG-CG2 3.85Å; L436-C448 HydrophobicContact CD2-CB 4.41Å; L436-C448 VanDerWaalsContact CD2-SG 3.5Å; L436-L451 HydrophobicContact CD1-CD1 3.69Å; L436-L451 HydrophobicContact CD2-CD1 4.06Å; L436-L451 HydrophobicContact CG-CD1 3.82Å; L436-L470 HydrophobicContact CD1-CD1 4.25Å; L436-E473 HydrophobicContact CB-CB 4.29Å; L436-E473 HydrophobicContact CD1-CB 3.54Å; L436-L474 HydrophobicContact CD1-CD2 4.29Å; L436-L474 HydrophobicContact CD2-CD2 4.36Å; L436-R477 HydrophobicContact CB-CG 4.38Å; L436-R477 HydrophobicContact CD2-CG 4.47Å; L436-R477 VanDerWaalsContact O-CD 3.31Å; L436-R477 WeakPolarHBondContact O-CD 3.22Å; L436-R477 PolarHBondContact O-NH1 3.05Å |
| 437 | S | 97.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 38 Ų | 38 | 47% | 0.469 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 15.6 | 176.8 | -73.5 | 0 | 0 | 0 | 0 | 114.6 | G434 C435 E473 | G434-S437 PolarHBondContact O-N 3.27Å; C435-S437 PolarHBondContact O-N 3.3Å; S437-E473 PolarHBondContact OG-OE2 2.7Å |
| 438 | D | 97.1 | Very high | 97.6 | Very high | 36 Ų | 36 | 30.5 Ų | 30.5 | 19% | 0.193 | 17% | 0.171 | C | C | . | . | trans | -65.9 | 147.5 | 177.6 | -162.4 | -73.5 | 0 | 0 | 0 | 112.2 | K403 C435 R440 I443 R444 | K403-D438 IonicContact NZ-OD2 2.55Å; K403-D438 PolarHBondContact NZ-OD2 3.2Å; C435-D438 VanDerWaalsContact O-CB 3.28Å; C435-D438 WeakPolarHBondContact O-CB 3.43Å; C435-D438 PolarHBondContact O-N 3.39Å; C435-D438 VanDerWaalsContact O-N 3.1Å; D438-R440 PolarHBondContact O-N 2.97Å; D438-R440 PolarHBondContact OD1-N 3.31Å; D438-I443 HydrophobicContact CB-CB 3.88Å; D438-I443 HydrophobicContact CB-CG2 3.45Å; D438-I443 VanDerWaalsContact CB-CG2 3.45Å; D438-R444 HydrophobicContact CB-CG 4.4Å; D438-R444 WeakPolarHBondContact O-CD 3.27Å; D438-R444 VanDerWaalsContact O-CG 3.25Å; D438-R444 WeakPolarHBondContact O-CG 3.32Å; D438-R444 PolarHBondContact O-NH1 3.48Å | ||
| 439 | D | 94.6 | Very high | 97.7 | Very high | 152 Ų | 152 | 33.5 Ų | 33.5 | 81% | 0.813 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -62.9 | -28.4 | 179.6 | -67.2 | -28.1 | 0 | 0 | 0 | 111.9 | R444 | D439-R444 PolarHBondContact O-NH1 3.34Š|
| 440 | R | 94.8 | Very high | 97.7 | Very high | 121 Ų | 121 | 33.5 Ų | 33.5 | 46% | 0.457 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -87.9 | 123.3 | -176.8 | -62.7 | -54.4 | -167.8 | 178.8 | 2.5 | 112.3 | W400 D438 L442 I443 R444 | W400-R440 HydrophobicContact CD2-CG 4.43Å; W400-R440 HydrophobicContact CG-CG 4.33Å; D438-R440 PolarHBondContact O-N 2.97Å; D438-R440 PolarHBondContact OD1-N 3.31Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.13Å; R440-I443 HydrophobicContact CB-CB 4.28Å; R440-I443 HydrophobicContact CB-CG1 3.92Å; R440-I443 PolarHBondContact O-N 2.99Å; R440-I443 VanDerWaalsContact O-N 3.14Å; R440-R444 PolarHBondContact O-N 3.29Å; R440-R444 VanDerWaalsContact O-N 3.14Å |
| 441 | P | 96.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.2 | -39.4 | 177 | -26.9 | 34.5 | 0 | 0 | 0 | 113.8 | I443 R444 S445 N482 V485 | P441-I443 PolarHBondContact O-N 3.39Å; P441-R444 PolarHBondContact O-N 2.9Å; P441-S445 WeakPolarHBondContact O-CB 3.33Å; P441-S445 PolarHBondContact O-N 3.37Å; P441-S445 PolarHBondContact O-OG 2.83Å; P441-N482 HydrophobicContact CB-CB 4.07Å; P441-N482 HydrophobicContact CG-CB 4.22Å; P441-V485 HydrophobicContact CB-CG2 3.81Å; P441-V485 VanDerWaalsContact O-CG2 3.27Å; P441-V485 WeakPolarHBondContact O-CG2 3.42Å |
| 442 | L | 95.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 179.1 | -65.6 | -179.4 | 0 | 0 | 0 | 112.3 | Y308 L316 L320 W400 E404 R440 S445 I446 | Y308-L442 HydrophobicContact CD2-CD1 4.47Å; Y308-L442 HydrophobicContact CE2-CD1 3.96Å; L316-L442 HydrophobicContact CD1-CD1 4.35Å; L320-L442 HydrophobicContact CD2-CD1 3.51Å; L320-L442 HydrophobicContact CD2-CG 3.85Å; W400-L442 HydrophobicContact CH2-CD1 3.63Å; W400-L442 HydrophobicContact CZ3-CB 3.95Å; W400-L442 HydrophobicContact CZ3-CD1 3.8Å; W400-L442 HydrophobicContact CZ3-CG 4.48Å; E404-L442 HydrophobicContact CG-CB 4.48Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.13Å; L442-S445 WeakPolarHBondContact CA-OG 3.35Å; L442-S445 PolarHBondContact O-N 3.27Å; L442-S445 PolarHBondContact O-OG 3.01Å; L442-I446 WeakPolarHBondContact O-CG2 3.26Å; L442-I446 PolarHBondContact O-N 3.29Å |
| 443 | I | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 173.6 | -63.3 | -76.6 | 0 | 0 | 0 | 110.3 | W400 K403 E404 I407 C435 D438 R440 P441 S445 I446 T447 | W400-I443 HydrophobicContact CE3-CG1 4.4Å; K403-I443 HydrophobicContact CB-CD1 4.27Å; K403-I443 HydrophobicContact CD-CD1 4.13Å; K403-I443 HydrophobicContact CG-CD1 4.05Å; E404-I443 HydrophobicContact CB-CD1 3.45Å; E404-I443 VanDerWaalsContact CB-CD1 3.45Å; E404-I443 HydrophobicContact CB-CG1 4.44Å; E404-I443 HydrophobicContact CG-CD1 3.94Å; I407-I443 HydrophobicContact CD1-CD1 4.36Å; I407-I443 HydrophobicContact CD1-CG2 4.06Å; C435-I443 HydrophobicContact CB-CG2 4.27Å; D438-I443 HydrophobicContact CB-CB 3.88Å; D438-I443 HydrophobicContact CB-CG2 3.45Å; D438-I443 VanDerWaalsContact CB-CG2 3.45Å; R440-I443 HydrophobicContact CB-CB 4.28Å; R440-I443 HydrophobicContact CB-CG1 3.92Å; R440-I443 PolarHBondContact O-N 2.99Å; R440-I443 VanDerWaalsContact O-N 3.14Å; P441-I443 PolarHBondContact O-N 3.39Å; I443-S445 PolarHBondContact O-N 3.12Å; I443-I446 WeakPolarHBondContact O-CG2 3.31Å; I443-T447 WeakPolarHBondContact O-CB 3.42Å; I443-T447 PolarHBondContact O-N 3.45Å; I443-T447 PolarHBondContact O-OG1 3.16Å |
| 444 | R | 98.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 178.6 | -59.9 | -162.4 | -63.5 | -78.9 | 4.3 | 111.3 | L436 D438 D439 R440 P441 T447 C448 D480 V485 | L436-R444 WeakPolarHBondContact O-CD 3.47Å; L436-R444 VanDerWaalsContact O-CG 3.3Å; L436-R444 WeakPolarHBondContact O-CG 3.5Å; D438-R444 HydrophobicContact CB-CG 4.4Å; D438-R444 WeakPolarHBondContact O-CD 3.27Å; D438-R444 VanDerWaalsContact O-CG 3.25Å; D438-R444 WeakPolarHBondContact O-CG 3.32Å; D438-R444 PolarHBondContact O-NH1 3.48Å; D439-R444 PolarHBondContact O-NH1 3.34Å; R440-R444 PolarHBondContact O-N 3.29Å; R440-R444 VanDerWaalsContact O-N 3.14Å; P441-R444 PolarHBondContact O-N 2.9Å; R444-T447 PolarHBondContact O-N 3.35Å; R444-C448 PolarHBondContact O-N 2.77Å; R444-C448 PolarHBondContact O-SG 3.49Å; R444-C448 VanDerWaalsContact O-SG 3.33Å; R444-D480 IonicContact CZ-OD1 2.7Å; R444-D480 IonicContact CZ-OD2 2.75Å; R444-D480 IonicContact NE-OD1 3.39Å; R444-D480 IonicContact NE-OD2 3.97Å; R444-D480 PolarHBondContact NE-OD2 3.41Å; R444-D480 IonicContact NH2-OD1 3.53Å; R444-D480 PolarHBondContact NH2-OD1 3.15Å; R444-D480 IonicContact NH2-OD2 3.71Å; R444-D480 PolarHBondContact NH2-OD2 3.3Å; R444-V485 HydrophobicContact CB-CG1 3.9Å; R444-V485 HydrophobicContact CB-CG2 3.93Å |
| 445 | S | 97.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -47.5 | -177.5 | 71.7 | 0 | 0 | 0 | 0 | 112.7 | P441 L442 I443 T447 C448 W449 A488 | P441-S445 WeakPolarHBondContact O-CB 3.33Å; P441-S445 PolarHBondContact O-N 3.37Å; P441-S445 PolarHBondContact O-OG 2.83Å; L442-S445 WeakPolarHBondContact CA-OG 3.35Å; L442-S445 PolarHBondContact O-N 3.27Å; L442-S445 PolarHBondContact O-OG 3.01Å; I443-S445 PolarHBondContact O-N 3.12Å; S445-T447 VanDerWaalsContact C-N 3.26Å; S445-T447 PolarHBondContact O-N 2.8Å; S445-C448 WeakPolarHBondContact O-CB 3.34Å; S445-C448 PolarHBondContact O-N 3.38Å; S445-W449 PolarHBondContact O-N 3.24Å; S445-A488 WeakPolarHBondContact O-CB 3.45Å |
| 446 | I | 98 | Very high | 97.6 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -32.6 | 178 | -167.4 | 63.7 | 0 | 0 | 0 | 111.2 | E404 I407 L408 L442 I443 W449 T450 | E404-I446 HydrophobicContact CG-CG2 3.79Å; E404-I446 VanDerWaalsContact OE1-CB 3.22Å; E404-I446 WeakPolarHBondContact OE1-CB 3.39Å; E404-I446 WeakPolarHBondContact OE1-CG1 3.47Å; E404-I446 WeakPolarHBondContact OE1-CG2 3.32Å; I407-I446 HydrophobicContact CB-CG2 4.07Å; I407-I446 HydrophobicContact CG2-CG1 4.24Å; I407-I446 HydrophobicContact CG2-CG2 3.85Å; L408-I446 HydrophobicContact CB-CD1 3.96Å; L408-I446 HydrophobicContact CB-CG1 3.97Å; L408-I446 HydrophobicContact CD1-CD1 3.61Å; L408-I446 HydrophobicContact CG-CD1 4.31Å; L442-I446 WeakPolarHBondContact O-CG2 3.26Å; L442-I446 PolarHBondContact O-N 3.29Å; I443-I446 WeakPolarHBondContact O-CG2 3.31Å; I446-W449 HydrophobicContact CD1-CD2 4.46Å; I446-W449 HydrophobicContact CD1-CE3 3.77Å; I446-W449 HydrophobicContact CD1-CZ3 4.37Å; I446-W449 PolarHBondContact O-N 3.26Å; I446-T450 WeakPolarHBondContact O-CB 3.49Å; I446-T450 PolarHBondContact O-N 3.37Å; I446-T450 PolarHBondContact O-OG1 3.04Å |
| 447 | T | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 177 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L432 C435 L436 I443 R444 S445 T450 L451 | L432-T447 HydrophobicContact CB-CG2 4.34Å; L432-T447 WeakPolarHBondContact O-CG2 3.17Å; C435-T447 HydrophobicContact CB-CG2 3.83Å; L436-T447 HydrophobicContact CD2-CG2 3.67Å; L436-T447 HydrophobicContact CG-CG2 3.85Å; I443-T447 WeakPolarHBondContact O-CB 3.42Å; I443-T447 PolarHBondContact O-N 3.45Å; I443-T447 PolarHBondContact O-OG1 3.16Å; R444-T447 PolarHBondContact O-N 3.35Å; S445-T447 VanDerWaalsContact C-N 3.26Å; S445-T447 PolarHBondContact O-N 2.8Å; T447-T450 PolarHBondContact O-N 3.43Å; T447-L451 HydrophobicContact CG2-CD1 3.75Å; T447-L451 HydrophobicContact CG2-CG 4.37Å; T447-L451 WeakPolarHBondContact O-CB 3.29Å; T447-L451 WeakPolarHBondContact O-CG 3.39Å; T447-L451 PolarHBondContact O-N 3.16Å |
| 448 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.1 | -51.3 | 171.7 | -68.3 | 0 | 0 | 0 | 0 | 110.7 | L436 R444 S445 L451 S452 L474 A488 A492 | L436-C448 HydrophobicContact CD2-CB 4.41Å; L436-C448 VanDerWaalsContact CD2-SG 3.5Å; R444-C448 PolarHBondContact O-N 2.77Å; R444-C448 PolarHBondContact O-SG 3.49Å; R444-C448 VanDerWaalsContact O-SG 3.33Å; S445-C448 WeakPolarHBondContact O-CB 3.34Å; S445-C448 PolarHBondContact O-N 3.38Å; C448-L451 PolarHBondContact O-N 3.17Å; C448-S452 PolarHBondContact O-N 3.43Å; C448-L474 HydrophobicContact CB-CD2 4.29Å; C448-A488 HydrophobicContact CB-CB 3.92Å; C448-A492 HydrophobicContact CB-CB 4.02Å; C448-A492 VanDerWaalsContact O-CB 3.28Å; C448-A492 WeakPolarHBondContact O-CB 3.41Å |
| 449 | W | 98.4 | Very high | 97.6 | Very high | 94 Ų | 94 | 32.5 Ų | 32.5 | 36% | 0.356 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 178.6 | 178.8 | 83.7 | 0 | 0 | 0 | 112.1 | L408 S445 I446 L451 S452 R453 | L408-W449 HydrophobicContact CD1-CE3 4.35Å; L408-W449 HydrophobicContact CD1-CH2 4.22Å; L408-W449 HydrophobicContact CD1-CZ3 3.75Å; S445-W449 PolarHBondContact O-N 3.24Å; I446-W449 HydrophobicContact CD1-CD2 4.46Å; I446-W449 HydrophobicContact CD1-CE3 3.77Å; I446-W449 HydrophobicContact CD1-CZ3 4.37Å; I446-W449 PolarHBondContact O-N 3.26Å; W449-L451 PolarHBondContact O-N 3.31Å; W449-S452 PolarHBondContact O-N 2.65Å; W449-S452 PolarHBondContact O-OG 3.42Å; W449-R453 HydrophobicContact CZ2-CG 4.43Å; W449-R453 WeakPolarHBondContact O-CG 3.31Å; W449-R453 PolarHBondContact O-N 2.93Å |
| 450 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 179.5 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | I407 L410 L432 I446 T447 S452 R453 Y454 | I407-T450 HydrophobicContact CG2-CG2 4.12Å; I407-T450 PolarHBondContact O-OG1 2.93Å; L410-T450 HydrophobicContact CB-CG2 3.93Å; L432-T450 HydrophobicContact CD1-CG2 3.99Å; L432-T450 HydrophobicContact CD2-CG2 4.48Å; I446-T450 WeakPolarHBondContact O-CB 3.49Å; I446-T450 PolarHBondContact O-N 3.37Å; I446-T450 PolarHBondContact O-OG1 3.04Å; T447-T450 PolarHBondContact O-N 3.43Å; T450-S452 VanDerWaalsContact C-N 3.32Å; T450-S452 PolarHBondContact O-N 3.07Å; T450-R453 PolarHBondContact O-N 2.97Å; T450-Y454 HydrophobicContact CG2-CD2 4.43Å; T450-Y454 HydrophobicContact CG2-CE2 4.17Å; T450-Y454 VanDerWaalsContact O-CD2 3.27Å; T450-Y454 WeakPolarHBondContact O-CD2 3.32Å |
| 451 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.6 | -33.4 | 177.2 | -78.3 | 164.7 | 0 | 0 | 0 | 112.2 | L432 I433 L436 T447 C448 W449 R453 Y454 S455 I458 L470 | L432-L451 HydrophobicContact CB-CD1 4.19Å; L432-L451 HydrophobicContact CB-CD2 3.71Å; L432-L451 HydrophobicContact CB-CG 3.97Å; L432-L451 HydrophobicContact CD1-CD2 4.22Å; I433-L451 HydrophobicContact CG1-CD1 4.15Å; I433-L451 HydrophobicContact CG1-CD2 4.17Å; L436-L451 HydrophobicContact CD1-CD1 3.69Å; L436-L451 HydrophobicContact CD2-CD1 4.06Å; L436-L451 HydrophobicContact CG-CD1 3.82Å; T447-L451 HydrophobicContact CG2-CD1 3.75Å; T447-L451 HydrophobicContact CG2-CG 4.37Å; T447-L451 WeakPolarHBondContact O-CB 3.29Å; T447-L451 WeakPolarHBondContact O-CG 3.39Å; T447-L451 PolarHBondContact O-N 3.16Å; C448-L451 PolarHBondContact O-N 3.17Å; W449-L451 PolarHBondContact O-N 3.31Å; L451-R453 PolarHBondContact O-N 3.1Å; L451-Y454 CarbonylContact O-C 3.59Å; L451-Y454 PolarHBondContact O-N 3.38Å; L451-S455 PolarHBondContact O-N 3.3Å; L451-I458 HydrophobicContact CD2-CD1 4.02Å; L451-L470 HydrophobicContact CB-CD1 3.95Å; L451-L470 HydrophobicContact CD1-CD1 3.7Å; L451-L470 HydrophobicContact CD2-CD1 4.31Å; L451-L470 HydrophobicContact CG-CD1 4.2Å |
| 452 | S | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 177.6 | 85.8 | 0 | 0 | 0 | 0 | 111.6 | C448 W449 T450 Y454 S455 | C448-S452 PolarHBondContact O-N 3.43Å; W449-S452 PolarHBondContact O-N 2.65Å; W449-S452 PolarHBondContact O-OG 3.42Å; T450-S452 VanDerWaalsContact C-N 3.32Å; T450-S452 PolarHBondContact O-N 3.07Å; S452-Y454 PolarHBondContact O-N 3.2Å; S452-S455 WeakPolarHBondContact CA-OG 3.49Å; S452-S455 VanDerWaalsContact O-CB 3.29Å; S452-S455 WeakPolarHBondContact O-CB 3.42Å; S452-S455 PolarHBondContact O-N 3.44Å; S452-S455 VanDerWaalsContact O-N 3.08Å; S452-S455 PolarHBondContact O-OG 3.32Å |
| 453 | R | 98.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.1 | 176.1 | -53.6 | -69.8 | -77.3 | 153.8 | -1.5 | 113.8 | D373 A414 E415 W449 T450 L451 | D373-R453 IonicContact OD2-NH2 3.97Å; A414-R453 HydrophobicContact CB-CB 3.57Å; E415-R453 IonicContact OE2-CZ 2.77Å; E415-R453 IonicContact OE2-NH1 2.69Å; E415-R453 PolarHBondContact OE2-NH1 3.27Å; E415-R453 IonicContact OE2-NH2 3.29Å; E415-R453 PolarHBondContact OE2-NH2 3.13Å; W449-R453 HydrophobicContact CZ2-CG 4.43Å; W449-R453 WeakPolarHBondContact O-CG 3.31Å; W449-R453 PolarHBondContact O-N 2.93Å; T450-R453 PolarHBondContact O-N 2.97Å; L451-R453 PolarHBondContact O-N 3.1Å |
| 454 | Y | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 4 | 175.1 | -68.1 | -70 | 0 | 0 | 0 | 113.6 | L410 A414 M418 L425 T450 L451 S452 H456 W457 I458 | L410-Y454 PolarHBondContact O-OH 2.77Å; A414-Y454 HydrophobicContact CB-CD1 4.32Å; A414-Y454 HydrophobicContact CB-CD2 4.44Å; A414-Y454 HydrophobicContact CB-CE1 3.76Å; A414-Y454 HydrophobicContact CB-CE2 3.94Å; M418-Y454 HydrophobicContact CE-CD1 3.7Å; M418-Y454 HydrophobicContact CE-CE1 4.02Å; M418-Y454 HydrophobicContact SD-CD1 3.97Å; M418-Y454 HydrophobicContact SD-CE1 4.09Å; L425-Y454 HydrophobicContact CD1-CD1 4.02Å; L425-Y454 HydrophobicContact CD1-CE1 4.34Å; L425-Y454 HydrophobicContact CD2-CD1 3.68Å; L425-Y454 HydrophobicContact CD2-CE1 3.57Å; L425-Y454 HydrophobicContact CD2-CG 4.31Å; T450-Y454 HydrophobicContact CG2-CD2 4.43Å; T450-Y454 HydrophobicContact CG2-CE2 4.17Å; T450-Y454 VanDerWaalsContact O-CD2 3.27Å; T450-Y454 WeakPolarHBondContact O-CD2 3.32Å; L451-Y454 CarbonylContact O-C 3.59Å; L451-Y454 PolarHBondContact O-N 3.38Å; S452-Y454 PolarHBondContact O-N 3.2Å; Y454-H456 VanDerWaalsContact C-N 3.31Å; Y454-H456 PolarHBondContact O-N 3.04Å; Y454-W457 PolarHBondContact O-N 3.33Å; Y454-W457 VanDerWaalsContact O-N 3.07Å; Y454-I458 WeakPolarHBondContact O-CG1 3.21Å; Y454-I458 PolarHBondContact O-N 3.45Å |
| 455 | S | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.1 | -44.8 | -175.6 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | L451 S452 W457 I458 V459 | L451-S455 PolarHBondContact O-N 3.3Å; S452-S455 WeakPolarHBondContact CA-OG 3.49Å; S452-S455 VanDerWaalsContact O-CB 3.29Å; S452-S455 WeakPolarHBondContact O-CB 3.42Å; S452-S455 PolarHBondContact O-N 3.44Å; S452-S455 VanDerWaalsContact O-N 3.08Å; S452-S455 PolarHBondContact O-OG 3.32Å; S455-W457 VanDerWaalsContact C-N 3.3Å; S455-W457 PolarHBondContact O-N 3.37Å; S455-I458 PolarHBondContact O-N 2.88Å; S455-I458 VanDerWaalsContact O-N 3.08Å; S455-V459 WeakPolarHBondContact O-CG2 3.48Å; S455-V459 PolarHBondContact O-N 3.36Å |
| 456 | H | 96.7 | Very high | 97.9 | Very high | 133 Ų | 133 | 42.5 Ų | 42.5 | 62% | 0.616 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -53.5 | -45.6 | 177.7 | -174.5 | 69.8 | 0 | 0 | 0 | 112.8 | Y454 G460 E499 | Y454-H456 VanDerWaalsContact C-N 3.31Å; Y454-H456 PolarHBondContact O-N 3.04Å; H456-G460 PolarHBondContact O-N 3.2Å; H456-E499 HydrophobicContact CB-CG 4.45Å; H456-E499 WeakPolarHBondContact CB-OE2 3.27Å; H456-E499 IonicContact CE1-OE2 2.65Å; H456-E499 IonicContact CG-OE2 2.85Å; H456-E499 IonicContact ND1-OE2 2.72Å; H456-E499 PolarHBondContact ND1-OE2 3.47Å |
| 457 | W | 98.1 | Very high | 97.9 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.2 | -43.4 | 177.8 | -179.8 | 86.3 | 0 | 0 | 0 | 111.4 | L425 P426 C429 Y454 S455 G460 Q461 Y466 | L425-W457 HydrophobicContact CB-CD2 3.94Å; L425-W457 HydrophobicContact CB-CE3 3.86Å; L425-W457 HydrophobicContact CB-CH2 3.54Å; L425-W457 HydrophobicContact CB-CZ2 3.6Å; L425-W457 HydrophobicContact CB-CZ3 3.68Å; L425-W457 HydrophobicContact CD1-CB 4.07Å; L425-W457 HydrophobicContact CD1-CD2 3.43Å; L425-W457 VanDerWaalsContact CD1-CD2 3.43Å; L425-W457 HydrophobicContact CD1-CE3 3.89Å; L425-W457 HydrophobicContact CD1-CG 3.49Å; L425-W457 VanDerWaalsContact CD1-CG 3.49Å; L425-W457 HydrophobicContact CD1-CZ2 4.45Å; L425-W457 HydrophobicContact CG-CD2 4.32Å; L425-W457 HydrophobicContact CG-CE3 4.47Å; P426-W457 HydrophobicContact CG-CH2 4.26Å; P426-W457 HydrophobicContact CG-CZ2 4.19Å; C429-W457 HydrophobicContact CB-CZ3 4.12Å; C429-W457 VanDerWaalsContact SG-CZ3 3.56Å; Y454-W457 PolarHBondContact O-N 3.33Å; Y454-W457 VanDerWaalsContact O-N 3.07Å; S455-W457 VanDerWaalsContact C-N 3.3Å; S455-W457 PolarHBondContact O-N 3.37Å; W457-G460 PolarHBondContact O-N 3.43Å; W457-Q461 HydrophobicContact CD2-CG 3.83Å; W457-Q461 HydrophobicContact CE3-CG 3.8Å; W457-Q461 HydrophobicContact CH2-CG 3.53Å; W457-Q461 HydrophobicContact CZ2-CG 3.54Å; W457-Q461 HydrophobicContact CZ3-CG 3.65Å; W457-Q461 VanDerWaalsContact O-CG 3.32Å; W457-Q461 WeakPolarHBondContact O-CG 3.35Å; W457-Q461 PolarHBondContact O-N 3.48Å; W457-Q461 PolarHBondContact O-NE2 3.43Å; W457-Q461 VanDerWaalsContact O-NE2 3.12Å; W457-Y466 HydrophobicContact CH2-CD1 4.31Å; W457-Y466 HydrophobicContact CH2-CE1 4.01Å; W457-Y466 HydrophobicContact CZ3-CD1 4.05Å; W457-Y466 HydrophobicContact CZ3-CE1 4.19Å |
| 458 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | -177 | -70.7 | 172.4 | 0 | 0 | 0 | 111.6 | C429 L451 Y454 S455 G460 Q461 F467 L470 | C429-I458 HydrophobicContact CB-CD1 4.49Å; L451-I458 HydrophobicContact CD2-CD1 4.02Å; Y454-I458 WeakPolarHBondContact O-CG1 3.21Å; Y454-I458 PolarHBondContact O-N 3.45Å; S455-I458 PolarHBondContact O-N 2.88Å; S455-I458 VanDerWaalsContact O-N 3.08Å; I458-G460 VanDerWaalsContact C-N 3.3Å; I458-G460 PolarHBondContact O-N 2.68Å; I458-Q461 PolarHBondContact O-N 3.28Å; I458-F467 HydrophobicContact CG2-CB 4.39Å; I458-L470 HydrophobicContact CB-CD2 4.47Å; I458-L470 HydrophobicContact CD1-CD2 3.74Å; I458-L470 HydrophobicContact CG2-CB 4.39Å; I458-L470 HydrophobicContact CG2-CD2 3.84Å |
| 459 | V | 97.9 | Very high | 97.8 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | S455 Q461 F467 L496 E499 A500 | S455-V459 WeakPolarHBondContact O-CG2 3.48Å; S455-V459 PolarHBondContact O-N 3.36Å; V459-Q461 PolarHBondContact O-N 3.13Å; V459-F467 HydrophobicContact CG2-CD2 3.92Å; V459-F467 HydrophobicContact CG2-CE2 4.17Å; V459-L496 HydrophobicContact CG2-CD1 3.88Å; V459-E499 HydrophobicContact CG2-CB 4.07Å; V459-A500 HydrophobicContact CG1-CB 4.39Å; V459-A500 HydrophobicContact CG2-CB 3.97Å |
| 460 | G | 96.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 42.5 Ų | 42.5 | 64% | 0.639 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H456 W457 I458 | H456-G460 PolarHBondContact O-N 3.2Å; W457-G460 PolarHBondContact O-N 3.43Å; I458-G460 VanDerWaalsContact C-N 3.3Å; I458-G460 PolarHBondContact O-N 2.68Å |
| 461 | Q | 97.2 | Very high | 97.9 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 26% | 0.262 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -96.8 | 168.3 | 179.2 | -64.7 | -32.8 | -70.9 | 0 | 0 | 112.4 | W457 I458 V459 H463 Y466 | W457-Q461 HydrophobicContact CD2-CG 3.83Å; W457-Q461 HydrophobicContact CE3-CG 3.8Å; W457-Q461 HydrophobicContact CH2-CG 3.53Å; W457-Q461 HydrophobicContact CZ2-CG 3.54Å; W457-Q461 HydrophobicContact CZ3-CG 3.65Å; W457-Q461 VanDerWaalsContact O-CG 3.32Å; W457-Q461 WeakPolarHBondContact O-CG 3.35Å; W457-Q461 PolarHBondContact O-N 3.48Å; W457-Q461 PolarHBondContact O-NE2 3.43Å; W457-Q461 VanDerWaalsContact O-NE2 3.12Å; I458-Q461 PolarHBondContact O-N 3.28Å; V459-Q461 PolarHBondContact O-N 3.13Å; Q461-H463 PolarHBondContact O-CD2 3.42Å; Q461-H463 PolarHBondContact O-N 3.19Å; Q461-H463 VanDerWaalsContact O-N 3.08Å; Q461-Y466 HydrophobicContact CB-CD2 3.41Å; Q461-Y466 VanDerWaalsContact CB-CD2 3.41Å; Q461-Y466 HydrophobicContact CB-CE2 3.98Å; Q461-Y466 HydrophobicContact CB-CG 3.94Å; Q461-Y466 HydrophobicContact CG-CD2 4.11Å; Q461-Y466 HydrophobicContact CG-CE2 4.38Å; Q461-Y466 HydrophobicContact CG-CG 4.42Å |
| 462 | P | 96.7 | Very high | 97.8 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 51% | 0.513 | 23% | 0.234 | S | C | . | . | trans | -51.9 | 118.9 | 175.8 | -28.9 | 36.7 | 0 | 0 | 0 | 113.1 | E464 Q465 Y466 | P462-E464 VanDerWaalsContact C-N 3.32Å; P462-E464 PolarHBondContact O-N 3.23Å; P462-Q465 PolarHBondContact O-N 3.03Å; P462-Y466 PolarHBondContact O-N 3.14Å | ||
| 463 | H | 97.2 | Very high | 97.9 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -41.3 | -166.2 | -67.9 | -166.3 | 0 | 0 | 0 | 113.1 | Q461 Q465 F467 K468 D503 | Q461-H463 PolarHBondContact O-CD2 3.42Å; Q461-H463 PolarHBondContact O-N 3.19Å; Q461-H463 VanDerWaalsContact O-N 3.08Å; H463-Q465 PolarHBondContact O-N 3.35Å; H463-F467 HydrophobicContact CB-CB 4.38Å; H463-F467 HydrophobicContact CB-CD1 4.19Å; H463-F467 PolarHBondContact O-N 2.9Å; H463-K468 VanDerWaalsContact O-CB 3.28Å; H463-K468 WeakPolarHBondContact O-CB 3.39Å; H463-K468 PolarHBondContact O-N 3.02Å; H463-D503 IonicContact CE1-OD2 3.84Å; H463-D503 IonicContact NE2-OD2 2.6Å |
| 464 | E | 97.2 | Very high | 97.9 | Very high | 124 Ų | 124 | 41.7 Ų | 41.7 | 58% | 0.579 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.1 | -178.7 | -70.3 | -65.8 | 144.2 | 0 | 0 | 113.7 | P462 K468 | P462-E464 VanDerWaalsContact C-N 3.32Å; P462-E464 PolarHBondContact O-N 3.23Å; E464-K468 WeakPolarHBondContact OE1-CD 3.19Å; E464-K468 IonicContact OE1-NZ 2.73Å; E464-K468 PolarHBondContact OE1-NZ 2.96Å; E464-K468 WeakPolarHBondContact OE2-CD 3.44Å; E464-K468 IonicContact OE2-NZ 2.82Å; E464-K468 PolarHBondContact OE2-NZ 3.25Å |
| 465 | Q | 96.2 | Very high | 97.9 | Very high | 110 Ų | 110 | 41.9 Ų | 41.9 | 51% | 0.514 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -31.1 | -177 | -174.2 | 176.2 | 1 | 0 | 0 | 113 | P462 H463 | P462-Q465 PolarHBondContact O-N 3.03Å; H463-Q465 PolarHBondContact O-N 3.35Å |
| 466 | Y | 98.2 | Very high | 97.9 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -65.9 | -171.8 | -56.3 | -85.3 | 0 | 0 | 0 | 112.7 | C429 P430 W457 Q461 P462 K468 P469 L470 | C429-Y466 HydrophobicContact CB-CD1 4.23Å; P430-Y466 HydrophobicContact CG-CD1 4.31Å; P430-Y466 HydrophobicContact CG-CE1 3.92Å; W457-Y466 HydrophobicContact CH2-CD1 4.31Å; W457-Y466 HydrophobicContact CH2-CE1 4.01Å; W457-Y466 HydrophobicContact CZ3-CD1 4.05Å; W457-Y466 HydrophobicContact CZ3-CE1 4.19Å; Q461-Y466 HydrophobicContact CB-CD2 3.41Å; Q461-Y466 VanDerWaalsContact CB-CD2 3.41Å; Q461-Y466 HydrophobicContact CB-CE2 3.98Å; Q461-Y466 HydrophobicContact CB-CG 3.94Å; Q461-Y466 HydrophobicContact CG-CD2 4.11Å; Q461-Y466 HydrophobicContact CG-CE2 4.38Å; Q461-Y466 HydrophobicContact CG-CG 4.42Å; P462-Y466 PolarHBondContact O-N 3.14Å; Y466-K468 PolarHBondContact O-N 3.26Å; Y466-P469 WeakPolarHBondContact O-CD 3.39Å; Y466-L470 WeakPolarHBondContact O-CB 3.49Å; Y466-L470 PolarHBondContact O-N 2.93Å |
| 467 | F | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.2 | -53 | -175.5 | 172 | -117 | 0 | 0 | 0 | 113.4 | I458 V459 H463 L470 M471 L496 A500 D503 L504 Y507 | I458-F467 HydrophobicContact CG2-CB 4.39Å; V459-F467 HydrophobicContact CG2-CD2 3.92Å; V459-F467 HydrophobicContact CG2-CE2 4.17Å; H463-F467 HydrophobicContact CB-CB 4.38Å; H463-F467 HydrophobicContact CB-CD1 4.19Å; H463-F467 PolarHBondContact O-N 2.9Å; F467-L470 PolarHBondContact O-N 3.44Å; F467-M471 HydrophobicContact CZ-SD 4.5Å; F467-M471 WeakPolarHBondContact O-CB 3.43Å; F467-M471 PolarHBondContact O-N 2.94Å; F467-L496 HydrophobicContact CD2-CD1 3.93Å; F467-L496 HydrophobicContact CE2-CD1 3.83Å; F467-L496 HydrophobicContact CE2-CD2 4.13Å; F467-L496 HydrophobicContact CE2-CG 4Å; F467-A500 HydrophobicContact CE2-CB 3.56Å; F467-A500 HydrophobicContact CZ-CB 3.71Å; F467-D503 HydrophobicContact CE1-CB 4.46Å; F467-L504 HydrophobicContact CE2-CD2 4.23Å; F467-L504 HydrophobicContact CZ-CD2 3.61Å; F467-L504 HydrophobicContact CZ-CG 4.25Å; F467-Y507 HydrophobicContact CD1-CE2 4.42Å; F467-Y507 HydrophobicContact CE1-CD2 4.18Å; F467-Y507 AromaticContact CE1-CE2 3.8Å; F467-Y507 HydrophobicContact CE1-CE2 3.8Å |
| 468 | K | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 30% | 0.296 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | -177.4 | 176.3 | -174.1 | -178.8 | -177.2 | 0 | 112.2 | H463 E464 Y466 L470 M471 V472 Y507 | H463-K468 VanDerWaalsContact O-CB 3.28Å; H463-K468 WeakPolarHBondContact O-CB 3.39Å; H463-K468 PolarHBondContact O-N 3.02Å; E464-K468 WeakPolarHBondContact OE1-CD 3.19Å; E464-K468 IonicContact OE1-NZ 2.73Å; E464-K468 PolarHBondContact OE1-NZ 2.96Å; E464-K468 WeakPolarHBondContact OE2-CD 3.44Å; E464-K468 IonicContact OE2-NZ 2.82Å; E464-K468 PolarHBondContact OE2-NZ 3.25Å; Y466-K468 PolarHBondContact O-N 3.26Å; K468-L470 PolarHBondContact O-N 2.91Å; K468-M471 HydrophobicContact CG-CE 4.44Å; K468-M471 PolarHBondContact O-N 3.08Å; K468-V472 HydrophobicContact CG-CG2 4.44Å; K468-V472 WeakPolarHBondContact O-CB 3.4Å; K468-V472 VanDerWaalsContact O-CG2 3.28Å; K468-V472 WeakPolarHBondContact O-CG2 3.43Å; K468-V472 PolarHBondContact O-N 3.38Å; K468-Y507 HydrophobicContact CD-CE1 4.19Å; K468-Y507 HydrophobicContact CG-CE1 4.22Å |
| 469 | P | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 43.6 Ų | 43.6 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -55.8 | -45.9 | 170.9 | -30.1 | 37.5 | 0 | 0 | 0 | 113.5 | I433 Y466 V472 E473 | I433-P469 HydrophobicContact CD1-CB 4.36Å; I433-P469 HydrophobicContact CG2-CB 4.31Å; Y466-P469 WeakPolarHBondContact O-CD 3.39Å; P469-V472 PolarHBondContact O-N 2.84Å; P469-E473 WeakPolarHBondContact O-CG 3.48Å; P469-E473 PolarHBondContact O-N 3.46Å |
| 470 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 176.6 | 174.5 | 64.5 | 0 | 0 | 0 | 111.3 | I433 L436 L451 I458 Y466 F467 K468 V472 E473 L474 L496 | I433-L470 HydrophobicContact CD1-CB 4.02Å; I433-L470 HydrophobicContact CG1-CB 4.28Å; I433-L470 HydrophobicContact CG1-CD1 4.24Å; L436-L470 HydrophobicContact CD1-CD1 4.25Å; L451-L470 HydrophobicContact CB-CD1 3.95Å; L451-L470 HydrophobicContact CD1-CD1 3.7Å; L451-L470 HydrophobicContact CD2-CD1 4.31Å; L451-L470 HydrophobicContact CG-CD1 4.2Å; I458-L470 HydrophobicContact CB-CD2 4.47Å; I458-L470 HydrophobicContact CD1-CD2 3.74Å; I458-L470 HydrophobicContact CG2-CB 4.39Å; I458-L470 HydrophobicContact CG2-CD2 3.84Å; Y466-L470 WeakPolarHBondContact O-CB 3.49Å; Y466-L470 PolarHBondContact O-N 2.93Å; F467-L470 PolarHBondContact O-N 3.44Å; K468-L470 PolarHBondContact O-N 2.91Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 3.42Å; L470-E473 PolarHBondContact O-N 3.23Å; L470-L474 HydrophobicContact CD1-CD1 3.82Å; L470-L474 HydrophobicContact CD1-CD2 4.45Å; L470-L474 HydrophobicContact CD1-CG 3.83Å; L470-L474 HydrophobicContact CD2-CD1 4.45Å; L470-L474 HydrophobicContact CG-CD1 3.89Å; L470-L474 HydrophobicContact CG-CG 4.26Å; L470-L474 WeakPolarHBondContact O-CB 3.49Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.08Å; L470-L496 HydrophobicContact CD2-CD1 3.97Å; L470-L496 HydrophobicContact CD2-CD2 4.28Å; L470-L496 HydrophobicContact CG-CD2 4.34Å |
| 471 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.8 | -47.2 | -179.9 | -178.2 | -162 | 61.3 | 0 | 0 | 110.8 | F467 K468 L474 L475 F493 L496 L504 Y507 I511 | F467-M471 HydrophobicContact CZ-SD 4.5Å; F467-M471 WeakPolarHBondContact O-CB 3.43Å; F467-M471 PolarHBondContact O-N 2.94Å; K468-M471 HydrophobicContact CG-CE 4.44Å; K468-M471 PolarHBondContact O-N 3.08Å; M471-L474 PolarHBondContact O-N 3.18Å; M471-L475 HydrophobicContact CG-CD1 4.23Å; M471-L475 WeakPolarHBondContact O-CB 3.47Å; M471-L475 WeakPolarHBondContact O-CG 3.39Å; M471-L475 PolarHBondContact O-N 2.72Å; M471-F493 HydrophobicContact CG-CE2 3.73Å; M471-F493 HydrophobicContact CG-CZ 4.05Å; M471-L496 HydrophobicContact CB-CD2 4.04Å; M471-L496 HydrophobicContact CG-CD2 4.47Å; M471-L504 HydrophobicContact SD-CD2 4.06Å; M471-Y507 HydrophobicContact CE-CD1 3.53Å; M471-Y507 HydrophobicContact CE-CD2 4.05Å; M471-Y507 HydrophobicContact CE-CE1 4.08Å; M471-Y507 HydrophobicContact CE-CG 3.49Å; M471-Y507 VanDerWaalsContact CE-CG 3.49Å; M471-Y507 VanDerWaalsContact SD-CB 3.56Å; M471-Y507 HydrophobicContact SD-CD1 4.33Å; M471-Y507 HydrophobicContact SD-CD2 3.86Å; M471-Y507 HydrophobicContact SD-CG 3.66Å; M471-I511 HydrophobicContact SD-CD1 4.09Å; M471-I511 HydrophobicContact SD-CG1 4.36Å |
| 472 | V | 98.7 | Very high | 97.8 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 180 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | K468 P469 L470 L475 K476 L510 | K468-V472 HydrophobicContact CG-CG2 4.44Å; K468-V472 WeakPolarHBondContact O-CB 3.4Å; K468-V472 VanDerWaalsContact O-CG2 3.28Å; K468-V472 WeakPolarHBondContact O-CG2 3.43Å; K468-V472 PolarHBondContact O-N 3.38Å; P469-V472 PolarHBondContact O-N 2.84Å; L470-V472 VanDerWaalsContact C-N 3.3Å; L470-V472 PolarHBondContact O-N 3.42Å; V472-L475 PolarHBondContact O-N 2.67Å; V472-K476 WeakPolarHBondContact O-CG 3.39Å; V472-K476 PolarHBondContact O-N 3.45Å; V472-L510 HydrophobicContact CG2-CD2 4.36Å |
| 473 | E | 98.7 | Very high | 97.7 | Very high | 31 Ų | 31 | 36.7 Ų | 36.7 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -38.2 | 179.1 | -67.4 | -52.6 | 129.2 | 0 | 0 | 112 | I433 L436 S437 P469 L470 K476 R477 | I433-E473 HydrophobicContact CG2-CB 4.33Å; I433-E473 HydrophobicContact CG2-CG 3.82Å; L436-E473 HydrophobicContact CB-CB 4.29Å; L436-E473 HydrophobicContact CD1-CB 3.54Å; S437-E473 PolarHBondContact OG-OE2 2.7Å; P469-E473 WeakPolarHBondContact O-CG 3.48Å; P469-E473 PolarHBondContact O-N 3.46Å; L470-E473 PolarHBondContact O-N 3.23Å; E473-K476 WeakPolarHBondContact O-CB 3.41Å; E473-K476 PolarHBondContact O-N 3.1Å; E473-K476 IonicContact OE1-NZ 2.81Å; E473-K476 PolarHBondContact OE1-NZ 2.74Å; E473-K476 IonicContact OE2-NZ 3.31Å; E473-R477 WeakPolarHBondContact O-CG 3.44Å; E473-R477 PolarHBondContact O-N 3.03Å; E473-R477 VanDerWaalsContact O-N 3.1Å |
| 474 | L | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 172.9 | -73.5 | 179.2 | 0 | 0 | 0 | 111.8 | L436 C448 L470 M471 K476 R477 I478 A492 F493 L496 | L436-L474 HydrophobicContact CD1-CD2 4.29Å; L436-L474 HydrophobicContact CD2-CD2 4.36Å; C448-L474 HydrophobicContact CB-CD2 4.29Å; L470-L474 HydrophobicContact CD1-CD1 3.82Å; L470-L474 HydrophobicContact CD1-CD2 4.45Å; L470-L474 HydrophobicContact CD1-CG 3.83Å; L470-L474 HydrophobicContact CD2-CD1 4.45Å; L470-L474 HydrophobicContact CG-CD1 3.89Å; L470-L474 HydrophobicContact CG-CG 4.26Å; L470-L474 WeakPolarHBondContact O-CB 3.49Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.08Å; M471-L474 PolarHBondContact O-N 3.18Å; L474-K476 PolarHBondContact O-N 3.44Å; L474-R477 CarbonylContact O-C 3.6Å; L474-R477 WeakPolarHBondContact O-CA 3.33Å; L474-R477 WeakPolarHBondContact O-CB 3.04Å; L474-R477 PolarHBondContact O-N 2.83Å; L474-I478 WeakPolarHBondContact O-CG1 3.49Å; L474-I478 PolarHBondContact O-N 3.39Å; L474-A492 HydrophobicContact CD1-CB 4.32Å; L474-A492 HydrophobicContact CD2-CB 3.99Å; L474-F493 HydrophobicContact CB-CD2 3.8Å; L474-F493 HydrophobicContact CB-CE2 4.5Å; L474-F493 HydrophobicContact CD1-CD2 4.14Å; L474-L496 HydrophobicContact CD1-CD2 4.06Å |
| 475 | L | 98.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.8 | -35 | 175.1 | -70.6 | 173.4 | 0 | 0 | 0 | 112.2 | M471 V472 R477 I478 F493 L510 I511 T514 | M471-L475 HydrophobicContact CG-CD1 4.23Å; M471-L475 WeakPolarHBondContact O-CB 3.47Å; M471-L475 WeakPolarHBondContact O-CG 3.39Å; M471-L475 PolarHBondContact O-N 2.72Å; V472-L475 PolarHBondContact O-N 2.67Å; L475-R477 VanDerWaalsContact C-N 3.31Å; L475-R477 PolarHBondContact O-N 2.7Å; L475-I478 HydrophobicContact CD2-CD1 4.19Å; L475-F493 HydrophobicContact CD1-CE2 4.48Å; L475-F493 HydrophobicContact CD2-CD2 4.31Å; L475-F493 HydrophobicContact CD2-CE1 4.09Å; L475-F493 HydrophobicContact CD2-CE2 3.67Å; L475-F493 HydrophobicContact CD2-CZ 3.57Å; L475-F493 HydrophobicContact CG-CD2 4.49Å; L475-F493 HydrophobicContact CG-CE2 3.74Å; L475-F493 HydrophobicContact CG-CZ 4.03Å; L475-L510 HydrophobicContact CD1-CD2 3.95Å; L475-L510 HydrophobicContact CD1-CG 3.85Å; L475-I511 HydrophobicContact CD1-CG1 4.09Å; L475-I511 HydrophobicContact CD2-CG1 4.41Å; L475-I511 HydrophobicContact CD2-CG2 4.45Å; L475-T514 HydrophobicContact CB-CG2 4.03Å; L475-T514 HydrophobicContact CD2-CG2 3.91Å; L475-T514 VanDerWaalsContact O-CG2 3.29Å; L475-T514 WeakPolarHBondContact O-CG2 3.36Å |
| 476 | K | 98.7 | Very high | 97.5 | Very high | 97 Ų | 97 | 25.1 Ų | 25.1 | 42% | 0.422 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -69.3 | -27.3 | 172.3 | -68.1 | 172.3 | -175.8 | 172.2 | 0 | 113.2 | V472 E473 L474 | V472-K476 WeakPolarHBondContact O-CG 3.39Å; V472-K476 PolarHBondContact O-N 3.45Å; E473-K476 WeakPolarHBondContact O-CB 3.41Å; E473-K476 PolarHBondContact O-N 3.1Å; E473-K476 IonicContact OE1-NZ 2.81Å; E473-K476 PolarHBondContact OE1-NZ 2.74Å; E473-K476 IonicContact OE2-NZ 3.31Å; L474-K476 PolarHBondContact O-N 3.44Å |
| 477 | R | 98.5 | Very high | 97.4 | Very high | 42 Ų | 42 | 26.4 Ų | 26.4 | 16% | 0.158 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -84.5 | -24.9 | 176.4 | -63.2 | -56.9 | 84.8 | 130.8 | -8.2 | 113.1 | L436 E473 L474 L475 L479 D480 V485 A489 | L436-R477 HydrophobicContact CB-CG 4.38Å; L436-R477 HydrophobicContact CD2-CG 4.47Å; L436-R477 VanDerWaalsContact O-CD 3.31Å; L436-R477 WeakPolarHBondContact O-CD 3.22Å; L436-R477 PolarHBondContact O-NH1 3.05Å; E473-R477 WeakPolarHBondContact O-CG 3.44Å; E473-R477 PolarHBondContact O-N 3.03Å; E473-R477 VanDerWaalsContact O-N 3.1Å; L474-R477 CarbonylContact O-C 3.6Å; L474-R477 WeakPolarHBondContact O-CA 3.33Å; L474-R477 WeakPolarHBondContact O-CB 3.04Å; L474-R477 PolarHBondContact O-N 2.83Å; L475-R477 VanDerWaalsContact C-N 3.31Å; L475-R477 PolarHBondContact O-N 2.7Å; R477-L479 PolarHBondContact O-N 2.87Å; R477-D480 WeakPolarHBondContact CD-OD2 3.41Å; R477-D480 IonicContact CZ-OD2 3.78Å; R477-D480 IonicContact NE-OD2 3.1Å; R477-D480 PolarHBondContact NE-OD2 2.96Å; R477-D480 WeakPolarHBondContact O-CB 3.37Å; R477-D480 PolarHBondContact O-N 3.31Å; R477-V485 HydrophobicContact CB-CG1 4.04Å; R477-V485 HydrophobicContact CG-CG1 4.33Å; R477-A489 HydrophobicContact CB-CB 3.45Å; R477-A489 VanDerWaalsContact CB-CB 3.45Å |
| 478 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -30.4 | 164.7 | -69.1 | 179.5 | 0 | 0 | 0 | 110.2 | L474 L475 A489 F493 T514 L515 A518 Y522 | L474-I478 WeakPolarHBondContact O-CG1 3.49Å; L474-I478 PolarHBondContact O-N 3.39Å; L475-I478 HydrophobicContact CD2-CD1 4.19Å; I478-A489 HydrophobicContact CG1-CB 4Å; I478-F493 HydrophobicContact CD1-CB 3.89Å; I478-F493 HydrophobicContact CD1-CD1 4.17Å; I478-F493 HydrophobicContact CD1-CD2 4.32Å; I478-F493 HydrophobicContact CD1-CG 3.86Å; I478-T514 HydrophobicContact CB-CG2 4.32Å; I478-T514 HydrophobicContact CG2-CG2 4.14Å; I478-L515 HydrophobicContact CD1-CD2 4.01Å; I478-L515 HydrophobicContact CG2-CD2 4.49Å; I478-A518 HydrophobicContact CG2-CB 3.8Å; I478-Y522 WeakPolarHBondContact O-CE1 3.28Å; I478-Y522 PolarHBondContact O-OH 3.33Å |
| 479 | L | 98 | Very high | 97.3 | Very high | 56 Ų | 56 | 24 Ų | 24 | 29% | 0.293 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 21 | 175.1 | -55.5 | -172.1 | 0 | 0 | 0 | 113.7 | R477 T514 Y517 A518 | R477-L479 PolarHBondContact O-N 2.87Å; L479-T514 HydrophobicContact CD1-CG2 4Å; L479-T514 HydrophobicContact CD2-CG2 4.12Å; L479-T514 HydrophobicContact CG-CG2 3.79Å; L479-Y517 HydrophobicContact CD1-CD1 3.92Å; L479-Y517 HydrophobicContact CD1-CE1 4.48Å; L479-Y517 HydrophobicContact CD1-CG 4.4Å; L479-Y517 HydrophobicContact CD2-CD1 3.59Å; L479-Y517 HydrophobicContact CD2-CE1 4.4Å; L479-Y517 HydrophobicContact CD2-CG 4.4Å; L479-Y517 HydrophobicContact CG-CD1 4.35Å; L479-A518 HydrophobicContact CD2-CB 3.97Å |
| 480 | D | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 22 Ų | 22 | 3% | 0.032 | 11% | 0.109 | C | C | . | . | trans | -62.4 | 157.6 | -177.5 | -156.7 | -80.7 | 0 | 0 | 0 | 112.2 | R444 R477 N482 V485 Q486 Q521 | R444-D480 IonicContact CZ-OD1 2.7Å; R444-D480 IonicContact CZ-OD2 2.75Å; R444-D480 IonicContact NE-OD1 3.39Å; R444-D480 IonicContact NE-OD2 3.97Å; R444-D480 PolarHBondContact NE-OD2 3.41Å; R444-D480 IonicContact NH2-OD1 3.53Å; R444-D480 PolarHBondContact NH2-OD1 3.15Å; R444-D480 IonicContact NH2-OD2 3.71Å; R444-D480 PolarHBondContact NH2-OD2 3.3Å; R477-D480 WeakPolarHBondContact CD-OD2 3.41Å; R477-D480 IonicContact CZ-OD2 3.78Å; R477-D480 IonicContact NE-OD2 3.1Å; R477-D480 PolarHBondContact NE-OD2 2.96Å; R477-D480 WeakPolarHBondContact O-CB 3.37Å; R477-D480 PolarHBondContact O-N 3.31Å; D480-N482 PolarHBondContact O-N 3.39Å; D480-N482 PolarHBondContact OD1-N 3.38Å; D480-V485 HydrophobicContact CB-CB 3.89Å; D480-V485 HydrophobicContact CB-CG1 3.65Å; D480-V485 VanDerWaalsContact CG-CG1 3.44Å; D480-V485 WeakPolarHBondContact OD2-CG1 3.14Å; D480-Q486 HydrophobicContact CB-CG 4.36Å; D480-Q486 PolarHBondContact O-NE2 2.7Å; D480-Q521 PolarHBondContact O-NE2 2.76Å | ||
| 481 | C | 94.9 | Very high | 97.3 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 29% | 0.291 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -81.2 | -2.8 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | E322 D323 A324 | E322-C481 CarbonylContact C-O 3.49Å; E322-C481 WeakPolarHBondContact CA-O 3.46Å; E322-C481 HydrophobicContact CB-CB 4.11Å; E322-C481 HydrophobicContact CG-CB 3.98Å; E322-C481 PolarHBondContact OE1-SG 3.4Å; D323-C481 PolarHBondContact N-O 3.37Å; D323-C481 VanDerWaalsContact N-O 3.16Å; A324-C481 VanDerWaalsContact CB-C 3.5Å; A324-C481 WeakPolarHBondContact CB-O 3.38Å; A324-C481 PolarHBondContact N-O 3Å |
| 482 | N | 94.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -119.5 | 131.2 | 177.2 | 176.1 | -83 | 0 | 0 | 0 | 111.5 | D319 E321 D323 P441 D480 R484 V485 Q486 | D319-N482 PolarHBondContact O-ND2 3.08Å; E321-N482 PolarHBondContact O-ND2 3.39Å; D323-N482 WeakPolarHBondContact OD1-CA 3.34Å; P441-N482 HydrophobicContact CB-CB 4.07Å; P441-N482 HydrophobicContact CG-CB 4.22Å; D480-N482 PolarHBondContact O-N 3.39Å; D480-N482 PolarHBondContact OD1-N 3.38Å; N482-R484 PolarHBondContact O-N 3.33Å; N482-R484 WeakPolarHBondContact OD1-CA 3.41Å; N482-R484 VanDerWaalsContact OD1-CB 3.27Å; N482-R484 WeakPolarHBondContact OD1-CB 3.23Å; N482-R484 PolarHBondContact OD1-N 3.26Å; N482-V485 HydrophobicContact CB-CB 4.37Å; N482-V485 HydrophobicContact CB-CG2 4.09Å; N482-V485 PolarHBondContact O-N 2.82Å; N482-V485 PolarHBondContact OD1-N 3.46Å; N482-Q486 WeakPolarHBondContact O-CG 3.47Å; N482-Q486 PolarHBondContact O-N 2.95Å |
| 483 | K | 93.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 8% | 0.078 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | -175.3 | -64.9 | -176.5 | -160.1 | 179.3 | 0 | 113.6 | D323 L326 P327 D328 V485 Q486 E487 Q523 N526 | D323-K483 WeakPolarHBondContact O-CE 2.94Å; D323-K483 PolarHBondContact OD1-N 3.23Å; D323-K483 WeakPolarHBondContact OD2-CD 3.22Å; D323-K483 WeakPolarHBondContact OD2-CG 3.19Å; L326-K483 WeakPolarHBondContact O-CE 3.48Å; L326-K483 PolarHBondContact O-NZ 3.29Å; P327-K483 PolarHBondContact O-NZ 3.47Å; D328-K483 WeakPolarHBondContact OD1-CD 3.42Å; D328-K483 IonicContact OD1-NZ 3.05Å; D328-K483 PolarHBondContact OD1-NZ 3.37Å; K483-V485 VanDerWaalsContact C-N 3.31Å; K483-Q486 WeakPolarHBondContact O-CB 3.36Å; K483-Q486 PolarHBondContact O-N 2.84Å; K483-E487 PolarHBondContact O-N 2.69Å; K483-Q523 HydrophobicContact CD-CG 4.34Å; K483-N526 PolarHBondContact O-ND2 3.24Å |
| 484 | R | 92.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 21.3 Ų | 21.3 | 22% | 0.215 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 176.8 | -173.1 | -175 | -177.2 | 94 | 11.2 | 111.2 | D319 N482 A488 | D319-R484 IonicContact OD2-CZ 3.58Å; D319-R484 IonicContact OD2-NE 3.5Å; D319-R484 IonicContact OD2-NH1 3.6Å; D319-R484 PolarHBondContact OD2-NH1 3.32Å; N482-R484 PolarHBondContact O-N 3.33Å; N482-R484 WeakPolarHBondContact OD1-CA 3.41Å; N482-R484 VanDerWaalsContact OD1-CB 3.27Å; N482-R484 WeakPolarHBondContact OD1-CB 3.23Å; N482-R484 PolarHBondContact OD1-N 3.26Å; R484-A488 WeakPolarHBondContact O-CB 3.27Å; R484-A488 PolarHBondContact O-N 3Å |
| 485 | V | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.4 | -40.1 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | P441 R444 R477 D480 N482 K483 A488 A489 | P441-V485 HydrophobicContact CB-CG2 3.81Å; P441-V485 VanDerWaalsContact O-CG2 3.27Å; P441-V485 WeakPolarHBondContact O-CG2 3.42Å; R444-V485 HydrophobicContact CB-CG1 3.9Å; R444-V485 HydrophobicContact CB-CG2 3.93Å; R477-V485 HydrophobicContact CB-CG1 4.04Å; R477-V485 HydrophobicContact CG-CG1 4.33Å; D480-V485 HydrophobicContact CB-CB 3.89Å; D480-V485 HydrophobicContact CB-CG1 3.65Å; D480-V485 VanDerWaalsContact CG-CG1 3.44Å; D480-V485 WeakPolarHBondContact OD2-CG1 3.14Å; N482-V485 HydrophobicContact CB-CB 4.37Å; N482-V485 HydrophobicContact CB-CG2 4.09Å; N482-V485 PolarHBondContact O-N 2.82Å; N482-V485 PolarHBondContact OD1-N 3.46Å; K483-V485 VanDerWaalsContact C-N 3.31Å; V485-A488 PolarHBondContact O-N 3.49Å; V485-A489 WeakPolarHBondContact O-CB 3.31Å; V485-A489 PolarHBondContact O-N 3.4Å |
| 486 | Q | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | 172.7 | -72.5 | 171.5 | 3.1 | 0 | 0 | 112 | A324 D480 N482 K483 A489 C490 Y522 N526 | A324-Q486 VanDerWaalsContact CB-NE2 3.3Å; D480-Q486 HydrophobicContact CB-CG 4.36Å; D480-Q486 PolarHBondContact O-NE2 2.7Å; N482-Q486 WeakPolarHBondContact O-CG 3.47Å; N482-Q486 PolarHBondContact O-N 2.95Å; K483-Q486 WeakPolarHBondContact O-CB 3.36Å; K483-Q486 PolarHBondContact O-N 2.84Å; Q486-A489 PolarHBondContact O-N 2.82Å; Q486-C490 WeakPolarHBondContact O-CB 3.34Å; Q486-C490 PolarHBondContact O-N 2.66Å; Q486-Y522 HydrophobicContact CB-CE1 3.78Å; Q486-Y522 WeakPolarHBondContact CB-OH 3.48Å; Q486-Y522 HydrophobicContact CG-CD1 4.46Å; Q486-Y522 HydrophobicContact CG-CE1 3.62Å; Q486-Y522 PolarHBondContact O-OH 3.21Å; Q486-N526 WeakPolarHBondContact CB-ND2 3.39Å; Q486-N526 PolarHBondContact OE1-ND2 3.37Å |
| 487 | E | 95.3 | Very high | 97.2 | Very high | 42 Ų | 42 | 18.3 Ų | 18.3 | 20% | 0.196 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.2 | -55.5 | 175.1 | 162.7 | 159.2 | -146.2 | 0 | 0 | 110.6 | R336 K483 A489 C490 S491 K525 I529 | R336-E487 IonicContact NH2-OE1 3.8Å; R336-E487 PolarHBondContact NH2-OE1 3.36Å; K483-E487 PolarHBondContact O-N 2.69Å; E487-A489 VanDerWaalsContact C-N 3.32Å; E487-A489 PolarHBondContact O-N 3.18Å; E487-C490 PolarHBondContact O-N 3.35Å; E487-S491 PolarHBondContact O-N 2.92Å; E487-S491 PolarHBondContact O-OG 3.41Å; E487-K525 IonicContact OE1-NZ 3.22Å; E487-K525 WeakPolarHBondContact OE2-CE 3.13Å; E487-K525 IonicContact OE2-NZ 3.81Å; E487-K525 PolarHBondContact OE2-NZ 3.24Å; E487-I529 HydrophobicContact CB-CD1 3.85Å; E487-I529 HydrophobicContact CG-CD1 3.45Å; E487-I529 VanDerWaalsContact CG-CD1 3.45Å; E487-I529 WeakPolarHBondContact OE1-CD1 3.5Å |
| 488 | A | 97.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 15% | 0.149 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -37.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S445 C448 R484 V485 A492 | S445-A488 WeakPolarHBondContact O-CB 3.45Å; C448-A488 HydrophobicContact CB-CB 3.92Å; R484-A488 WeakPolarHBondContact O-CB 3.27Å; R484-A488 PolarHBondContact O-N 3Å; V485-A488 PolarHBondContact O-N 3.49Å; A488-A492 VanDerWaalsContact O-CB 3.23Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.37Å |
| 489 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.8 | -42.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R477 I478 V485 Q486 E487 A492 F493 | R477-A489 HydrophobicContact CB-CB 3.45Å; R477-A489 VanDerWaalsContact CB-CB 3.45Å; I478-A489 HydrophobicContact CG1-CB 4Å; V485-A489 WeakPolarHBondContact O-CB 3.31Å; V485-A489 PolarHBondContact O-N 3.4Å; Q486-A489 PolarHBondContact O-N 2.82Å; E487-A489 VanDerWaalsContact C-N 3.32Å; E487-A489 PolarHBondContact O-N 3.18Å; A489-A492 PolarHBondContact O-N 3.44Å; A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.37Å; A489-F493 PolarHBondContact O-N 2.86Å |
| 490 | C | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 175.6 | -87.8 | 0 | 0 | 0 | 0 | 111.5 | Q486 E487 A492 F493 A494 Y522 I529 | Q486-C490 WeakPolarHBondContact O-CB 3.34Å; Q486-C490 PolarHBondContact O-N 2.66Å; E487-C490 PolarHBondContact O-N 3.35Å; C490-A492 PolarHBondContact O-N 3.23Å; C490-F493 PolarHBondContact O-N 3.19Å; C490-F493 VanDerWaalsContact O-N 3.17Å; C490-A494 PolarHBondContact O-N 3.39Å; C490-Y522 VanDerWaalsContact SG-CE2 3.6Å; C490-Y522 PolarHBondContact SG-OH 3.18Å; C490-I529 HydrophobicContact CB-CG2 3.75Å |
| 491 | S | 97.8 | Very high | 97.1 | Very high | 52 Ų | 52 | 25 Ų | 25 | 36% | 0.364 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E487 F493 A494 T495 | E487-S491 PolarHBondContact O-N 2.92Å; E487-S491 PolarHBondContact O-OG 3.41Å; S491-F493 VanDerWaalsContact C-N 3.28Å; S491-F493 PolarHBondContact O-N 2.94Å; S491-A494 PolarHBondContact O-N 3.45Å; S491-T495 PolarHBondContact O-N 3.24Å; S491-T495 PolarHBondContact O-OG1 3.39Å |
| 492 | A | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C448 L474 A488 A489 C490 L496 | C448-A492 HydrophobicContact CB-CB 4.02Å; C448-A492 VanDerWaalsContact O-CB 3.28Å; C448-A492 WeakPolarHBondContact O-CB 3.41Å; L474-A492 HydrophobicContact CD1-CB 4.32Å; L474-A492 HydrophobicContact CD2-CB 3.99Å; A488-A492 VanDerWaalsContact O-CB 3.23Å; A488-A492 WeakPolarHBondContact O-CB 3.49Å; A488-A492 PolarHBondContact O-N 3.37Å; A489-A492 PolarHBondContact O-N 3.44Å; C490-A492 PolarHBondContact O-N 3.23Å; A492-L496 PolarHBondContact O-N 3.37Å |
| 493 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -71.7 | -39.2 | 177.7 | -158.4 | -98.1 | 0 | 0 | 0 | 111.9 | M471 L474 L475 I478 A489 C490 S491 T495 L496 E497 I511 | M471-F493 HydrophobicContact CG-CE2 3.73Å; M471-F493 HydrophobicContact CG-CZ 4.05Å; L474-F493 HydrophobicContact CB-CD2 3.8Å; L474-F493 HydrophobicContact CB-CE2 4.5Å; L474-F493 HydrophobicContact CD1-CD2 4.14Å; L475-F493 HydrophobicContact CD1-CE2 4.48Å; L475-F493 HydrophobicContact CD2-CD2 4.31Å; L475-F493 HydrophobicContact CD2-CE1 4.09Å; L475-F493 HydrophobicContact CD2-CE2 3.67Å; L475-F493 HydrophobicContact CD2-CZ 3.57Å; L475-F493 HydrophobicContact CG-CD2 4.49Å; L475-F493 HydrophobicContact CG-CE2 3.74Å; L475-F493 HydrophobicContact CG-CZ 4.03Å; I478-F493 HydrophobicContact CD1-CB 3.89Å; I478-F493 HydrophobicContact CD1-CD1 4.17Å; I478-F493 HydrophobicContact CD1-CD2 4.32Å; I478-F493 HydrophobicContact CD1-CG 3.86Å; A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.37Å; A489-F493 PolarHBondContact O-N 2.86Å; C490-F493 PolarHBondContact O-N 3.19Å; C490-F493 VanDerWaalsContact O-N 3.17Å; S491-F493 VanDerWaalsContact C-N 3.28Å; S491-F493 PolarHBondContact O-N 2.94Å; F493-T495 VanDerWaalsContact C-N 3.34Å; F493-T495 PolarHBondContact O-N 3.33Å; F493-L496 HydrophobicContact CD2-CD2 4.3Å; F493-L496 HydrophobicContact CE2-CD2 4.23Å; F493-L496 CarbonylContact O-C 3.58Å; F493-L496 WeakPolarHBondContact O-CA 3.44Å; F493-L496 WeakPolarHBondContact O-CB 3.34Å; F493-L496 PolarHBondContact O-N 2.62Å; F493-E497 HydrophobicContact CD1-CG 3.99Å; F493-E497 WeakPolarHBondContact CD1-OE1 3Å; F493-E497 HydrophobicContact CE1-CG 3.95Å; F493-E497 WeakPolarHBondContact CE1-OE1 3.31Å; F493-E497 VanDerWaalsContact O-CG 3.32Å; F493-E497 WeakPolarHBondContact O-CG 3.32Å; F493-E497 PolarHBondContact O-N 2.65Å; F493-I511 HydrophobicContact CE1-CG2 3.75Å; F493-I511 HydrophobicContact CZ-CD1 4.13Å; F493-I511 HydrophobicContact CZ-CG1 3.96Å; F493-I511 HydrophobicContact CZ-CG2 4.04Å |
| 494 | A | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | C490 S491 L496 E497 E498 A533 T536 | C490-A494 PolarHBondContact O-N 3.39Å; S491-A494 PolarHBondContact O-N 3.45Å; A494-L496 VanDerWaalsContact C-N 3.31Å; A494-L496 PolarHBondContact O-N 3Å; A494-E497 WeakPolarHBondContact O-CB 3.41Å; A494-E497 PolarHBondContact O-N 3.23Å; A494-E497 VanDerWaalsContact O-N 3.16Å; A494-E498 PolarHBondContact O-N 3.29Å; A494-E498 VanDerWaalsContact O-N 3.11Å; A494-A533 HydrophobicContact CB-CB 4.4Å; A494-T536 HydrophobicContact CB-CG2 4.32Å; A494-T536 WeakPolarHBondContact O-CG2 3.34Å |
| 495 | T | 98.1 | Very high | 97.9 | Very high | 44 Ų | 44 | 28.2 Ų | 28.2 | 27% | 0.27 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61 | -39.3 | 172.2 | -52.5 | 0 | 0 | 0 | 0 | 112.3 | S491 F493 E497 E498 E499 | S491-T495 PolarHBondContact O-N 3.24Å; S491-T495 PolarHBondContact O-OG1 3.39Å; F493-T495 VanDerWaalsContact C-N 3.34Å; F493-T495 PolarHBondContact O-N 3.33Å; T495-E497 VanDerWaalsContact C-N 3.3Å; T495-E497 PolarHBondContact O-N 3.46Å; T495-E498 PolarHBondContact O-N 3.08Å; T495-E499 WeakPolarHBondContact O-CG 3.35Å; T495-E499 PolarHBondContact O-N 3.08Å |
| 496 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 176.7 | -174.9 | 64.3 | 0 | 0 | 0 | 111.8 | V459 F467 L470 M471 L474 A492 F493 A494 A500 | V459-L496 HydrophobicContact CG2-CD1 3.88Å; F467-L496 HydrophobicContact CD2-CD1 3.93Å; F467-L496 HydrophobicContact CE2-CD1 3.83Å; F467-L496 HydrophobicContact CE2-CD2 4.13Å; F467-L496 HydrophobicContact CE2-CG 4Å; L470-L496 HydrophobicContact CD2-CD1 3.97Å; L470-L496 HydrophobicContact CD2-CD2 4.28Å; L470-L496 HydrophobicContact CG-CD2 4.34Å; M471-L496 HydrophobicContact CB-CD2 4.04Å; M471-L496 HydrophobicContact CG-CD2 4.47Å; L474-L496 HydrophobicContact CD1-CD2 4.06Å; A492-L496 PolarHBondContact O-N 3.37Å; F493-L496 HydrophobicContact CD2-CD2 4.3Å; F493-L496 HydrophobicContact CE2-CD2 4.23Å; F493-L496 CarbonylContact O-C 3.58Å; F493-L496 WeakPolarHBondContact O-CA 3.44Å; F493-L496 WeakPolarHBondContact O-CB 3.34Å; F493-L496 PolarHBondContact O-N 2.62Å; A494-L496 VanDerWaalsContact C-N 3.31Å; A494-L496 PolarHBondContact O-N 3Å; L496-A500 WeakPolarHBondContact O-CB 3.4Å; L496-A500 PolarHBondContact O-N 3.49Å |
| 497 | E | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -48.1 | 176.2 | -69.5 | 164.5 | 168.2 | 0 | 0 | 112.1 | F493 A494 T495 E499 A500 C501 L504 T536 L537 S540 | F493-E497 HydrophobicContact CD1-CG 3.99Å; F493-E497 WeakPolarHBondContact CD1-OE1 3Å; F493-E497 HydrophobicContact CE1-CG 3.95Å; F493-E497 WeakPolarHBondContact CE1-OE1 3.31Å; F493-E497 VanDerWaalsContact O-CG 3.32Å; F493-E497 WeakPolarHBondContact O-CG 3.32Å; F493-E497 PolarHBondContact O-N 2.65Å; A494-E497 WeakPolarHBondContact O-CB 3.41Å; A494-E497 PolarHBondContact O-N 3.23Å; A494-E497 VanDerWaalsContact O-N 3.16Å; T495-E497 VanDerWaalsContact C-N 3.3Å; T495-E497 PolarHBondContact O-N 3.46Å; E497-E499 VanDerWaalsContact C-N 3.29Å; E497-E499 PolarHBondContact O-N 3.33Å; E497-A500 PolarHBondContact O-N 2.89Å; E497-C501 PolarHBondContact O-N 3.36Å; E497-L504 HydrophobicContact CB-CD1 3.98Å; E497-L504 HydrophobicContact CG-CD1 3.7Å; E497-T536 HydrophobicContact CB-CG2 4.02Å; E497-L537 HydrophobicContact CG-CB 4.48Å; E497-L537 HydrophobicContact CG-CD1 4.07Å; E497-L537 WeakPolarHBondContact OE1-CB 3.23Å; E497-L537 PolarHBondContact OE2-N 2.93Å; E497-L537 VanDerWaalsContact OE2-N 3.13Å; E497-S540 WeakPolarHBondContact O-CB 3.31Å; E497-S540 PolarHBondContact O-OG 2.72Å |
| 498 | E | 97.9 | Very high | 98.1 | Very high | 112 Ų | 112 | 33.1 Ų | 33.1 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.2 | -41.6 | 176.7 | -67.3 | 178.9 | 172.2 | 0 | 0 | 111.8 | A494 T495 C501 T536 | A494-E498 PolarHBondContact O-N 3.29Å; A494-E498 VanDerWaalsContact O-N 3.11Å; T495-E498 PolarHBondContact O-N 3.08Å; E498-C501 PolarHBondContact O-SG 2.88Å; E498-T536 HydrophobicContact CG-CG2 3.59Å |
| 499 | E | 97.6 | Very high | 98.2 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -76.1 | -37.7 | -179.5 | -68.2 | -66.3 | 168.1 | 0 | 0 | 112.9 | H456 V459 T495 E497 | H456-E499 HydrophobicContact CB-CG 4.45Å; H456-E499 WeakPolarHBondContact CB-OE2 3.27Å; H456-E499 IonicContact CE1-OE2 2.65Å; H456-E499 IonicContact CG-OE2 2.85Å; H456-E499 IonicContact ND1-OE2 2.72Å; H456-E499 PolarHBondContact ND1-OE2 3.47Å; V459-E499 HydrophobicContact CG2-CB 4.07Å; T495-E499 WeakPolarHBondContact O-CG 3.35Å; T495-E499 PolarHBondContact O-N 3.08Å; E497-E499 VanDerWaalsContact C-N 3.29Å; E497-E499 PolarHBondContact O-N 3.33Å |
| 500 | A | 98 | Very high | 98.2 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.033 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -84.5 | -29.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V459 F467 L496 E497 T502 D503 L504 | V459-A500 HydrophobicContact CG1-CB 4.39Å; V459-A500 HydrophobicContact CG2-CB 3.97Å; F467-A500 HydrophobicContact CE2-CB 3.56Å; F467-A500 HydrophobicContact CZ-CB 3.71Å; L496-A500 WeakPolarHBondContact O-CB 3.4Å; L496-A500 PolarHBondContact O-N 3.49Å; E497-A500 PolarHBondContact O-N 2.89Å; A500-T502 PolarHBondContact O-N 3.12Å; A500-T502 VanDerWaalsContact O-N 3.1Å; A500-D503 HydrophobicContact CB-CB 4.42Å; A500-D503 VanDerWaalsContact O-CB 3.29Å; A500-D503 WeakPolarHBondContact O-CB 3.35Å; A500-D503 PolarHBondContact O-N 3.06Å; A500-L504 HydrophobicContact CB-CD1 4.24Å; A500-L504 HydrophobicContact CB-CD2 4.29Å; A500-L504 HydrophobicContact CB-CG 3.84Å |
| 501 | C | 97.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | 45.1 | -118.8 | -178.7 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | E497 E498 D503 L504 S540 | E497-C501 PolarHBondContact O-N 3.36Å; E498-C501 PolarHBondContact O-SG 2.88Å; C501-D503 PolarHBondContact O-N 2.62Å; C501-L504 PolarHBondContact O-N 3.13Å; C501-S540 CarbonylContact C-O 3.6Å |
| 502 | T | 97.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 37 Ų | 37 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -69.2 | -12 | -177.5 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | A500 L504 V505 | A500-T502 PolarHBondContact O-N 3.12Å; A500-T502 VanDerWaalsContact O-N 3.1Å; T502-L504 PolarHBondContact O-N 3.4Å; T502-V505 VanDerWaalsContact O-CB 3.32Å; T502-V505 WeakPolarHBondContact O-CB 3.35Å; T502-V505 WeakPolarHBondContact O-CG2 3.46Å; T502-V505 PolarHBondContact O-N 3.38Å; T502-V505 VanDerWaalsContact O-N 3.12Å |
| 503 | D | 97.8 | Very high | 98.2 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -68.9 | -14.2 | 175.8 | -68.4 | -19.4 | 0 | 0 | 0 | 112.5 | H463 F467 A500 C501 P506 | H463-D503 IonicContact CE1-OD2 3.84Å; H463-D503 IonicContact NE2-OD2 2.6Å; F467-D503 HydrophobicContact CE1-CB 4.46Å; A500-D503 HydrophobicContact CB-CB 4.42Å; A500-D503 VanDerWaalsContact O-CB 3.29Å; A500-D503 WeakPolarHBondContact O-CB 3.35Å; A500-D503 PolarHBondContact O-N 3.06Å; C501-D503 PolarHBondContact O-N 2.62Å; D503-P506 WeakPolarHBondContact O-CD 3.23Å |
| 504 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -77.9 | -18.8 | 172.2 | -68.5 | 170.2 | 0 | 0 | 0 | 113.9 | F467 M471 E497 A500 C501 T502 P506 Y507 L508 I511 L537 V541 | F467-L504 HydrophobicContact CE2-CD2 4.23Å; F467-L504 HydrophobicContact CZ-CD2 3.61Å; F467-L504 HydrophobicContact CZ-CG 4.25Å; M471-L504 HydrophobicContact SD-CD2 4.06Å; E497-L504 HydrophobicContact CB-CD1 3.98Å; E497-L504 HydrophobicContact CG-CD1 3.7Å; A500-L504 HydrophobicContact CB-CD1 4.24Å; A500-L504 HydrophobicContact CB-CD2 4.29Å; A500-L504 HydrophobicContact CB-CG 3.84Å; C501-L504 PolarHBondContact O-N 3.13Å; T502-L504 PolarHBondContact O-N 3.4Å; L504-P506 VanDerWaalsContact C-CD 3.41Å; L504-P506 VanDerWaalsContact C-N 3.33Å; L504-Y507 WeakPolarHBondContact O-CA 3.41Å; L504-Y507 PolarHBondContact O-N 3.48Å; L504-L508 PolarHBondContact O-N 3.46Å; L504-I511 HydrophobicContact CB-CD1 4.16Å; L504-I511 HydrophobicContact CD2-CD1 3.69Å; L504-I511 HydrophobicContact CG-CD1 4.41Å; L504-L537 HydrophobicContact CD1-CD1 3.94Å; L504-V541 HydrophobicContact CB-CG1 4.1Å |
| 505 | V | 98.4 | Very high | 98.2 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -51.4 | -42.8 | -174.2 | 172.9 | 0 | 0 | 0 | 0 | 113.5 | T502 Y507 L508 H544 | T502-V505 VanDerWaalsContact O-CB 3.32Å; T502-V505 WeakPolarHBondContact O-CB 3.35Å; T502-V505 WeakPolarHBondContact O-CG2 3.46Å; T502-V505 PolarHBondContact O-N 3.38Å; T502-V505 VanDerWaalsContact O-N 3.12Å; V505-Y507 PolarHBondContact O-N 3.43Å; V505-L508 HydrophobicContact CB-CD1 4.49Å; V505-L508 HydrophobicContact CG1-CD1 4.47Å; V505-L508 HydrophobicContact CG2-CD1 4.46Å; V505-H544 HydrophobicContact CG1-CB 4.37Å; V505-H544 HydrophobicContact CG2-CB 3.77Å |
| 506 | P | 98.1 | Very high | 98.2 | Very high | 102 Ų | 102 | 42.5 Ų | 42.5 | 66% | 0.662 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -64.1 | -18.4 | 177.1 | -22.3 | 35.4 | 0 | 0 | 0 | 114.6 | D503 L504 | D503-P506 WeakPolarHBondContact O-CD 3.23Å; L504-P506 VanDerWaalsContact C-CD 3.41Å; L504-P506 VanDerWaalsContact C-N 3.33Å |
| 507 | Y | 98.4 | Very high | 98.2 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -110.5 | -1.3 | -171.7 | -51.2 | -73.4 | 0 | 0 | 0 | 113.6 | F467 K468 M471 L504 V505 D509 L510 I511 | F467-Y507 HydrophobicContact CD1-CE2 4.42Å; F467-Y507 HydrophobicContact CE1-CD2 4.18Å; F467-Y507 AromaticContact CE1-CE2 3.8Å; F467-Y507 HydrophobicContact CE1-CE2 3.8Å; K468-Y507 HydrophobicContact CD-CE1 4.19Å; K468-Y507 HydrophobicContact CG-CE1 4.22Å; M471-Y507 HydrophobicContact CE-CD1 3.53Å; M471-Y507 HydrophobicContact CE-CD2 4.05Å; M471-Y507 HydrophobicContact CE-CE1 4.08Å; M471-Y507 HydrophobicContact CE-CG 3.49Å; M471-Y507 VanDerWaalsContact CE-CG 3.49Å; M471-Y507 VanDerWaalsContact SD-CB 3.56Å; M471-Y507 HydrophobicContact SD-CD1 4.33Å; M471-Y507 HydrophobicContact SD-CD2 3.86Å; M471-Y507 HydrophobicContact SD-CG 3.66Å; L504-Y507 WeakPolarHBondContact O-CA 3.41Å; L504-Y507 PolarHBondContact O-N 3.48Å; V505-Y507 PolarHBondContact O-N 3.43Å; Y507-D509 VanDerWaalsContact C-N 3.28Å; Y507-D509 PolarHBondContact O-N 2.69Å; Y507-D509 VanDerWaalsContact O-N 3.14Å; Y507-L510 WeakPolarHBondContact O-CB 3.15Å; Y507-L510 PolarHBondContact O-N 2.74Å; Y507-I511 WeakPolarHBondContact O-CG1 3.47Å; Y507-I511 PolarHBondContact O-N 2.67Å; Y507-I511 VanDerWaalsContact O-N 3.08Å |
| 508 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51 | -40.6 | -175.9 | -76.1 | 173.6 | 0 | 0 | 0 | 113.9 | L504 V505 L510 I511 L512 L537 V541 H544 F550 | L504-L508 PolarHBondContact O-N 3.46Å; V505-L508 HydrophobicContact CB-CD1 4.49Å; V505-L508 HydrophobicContact CG1-CD1 4.47Å; V505-L508 HydrophobicContact CG2-CD1 4.46Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 3.12Å; L508-I511 PolarHBondContact O-N 3.13Å; L508-L512 VanDerWaalsContact O-CB 3.29Å; L508-L512 WeakPolarHBondContact O-CB 3.41Å; L508-L512 WeakPolarHBondContact O-CG 3.22Å; L508-L512 PolarHBondContact O-N 3.14Å; L508-L537 HydrophobicContact CD2-CD1 4.1Å; L508-L537 HydrophobicContact CD2-CD2 4.38Å; L508-L537 HydrophobicContact CD2-CG 4.49Å; L508-V541 HydrophobicContact CD1-CG2 4.45Å; L508-V541 HydrophobicContact CD2-CG1 4.19Å; L508-V541 HydrophobicContact CD2-CG2 4.1Å; L508-H544 HydrophobicContact CD1-CB 4.32Å; L508-F550 HydrophobicContact CB-CD2 4.49Å; L508-F550 HydrophobicContact CB-CE2 3.67Å; L508-F550 HydrophobicContact CB-CZ 3.74Å; L508-F550 HydrophobicContact CD1-CD2 4.44Å; L508-F550 HydrophobicContact CD1-CE2 3.82Å; L508-F550 HydrophobicContact CG-CE2 4.4Å |
| 509 | D | 98.5 | Very high | 98.1 | Very high | 70 Ų | 70 | 44 Ų | 44 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 178.5 | -179.5 | 83 | 0 | 0 | 0 | 112.2 | Y507 R513 F550 | Y507-D509 VanDerWaalsContact C-N 3.28Å; Y507-D509 PolarHBondContact O-N 2.69Å; Y507-D509 VanDerWaalsContact O-N 3.14Å; D509-R513 VanDerWaalsContact CG-NE 3.3Å; D509-R513 WeakPolarHBondContact O-CB 3.29Å; D509-R513 WeakPolarHBondContact O-CD 3.26Å; D509-R513 WeakPolarHBondContact O-CG 3.36Å; D509-R513 PolarHBondContact O-N 3.03Å; D509-R513 IonicContact OD1-CZ 3.65Å; D509-R513 IonicContact OD1-NE 2.81Å; D509-R513 PolarHBondContact OD1-NE 3.4Å; D509-R513 IonicContact OD1-NH2 3.59Å; D509-R513 PolarHBondContact OD1-NH2 2.91Å; D509-R513 IonicContact OD2-CZ 3.85Å; D509-R513 IonicContact OD2-NE 3.41Å; D509-R513 PolarHBondContact OD2-NE 3.14Å; D509-R513 IonicContact OD2-NH2 3.19Å; D509-F550 HydrophobicContact CB-CE1 4.14Å |
| 510 | L | 98.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 42% | 0.419 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.9 | -43.7 | 177.7 | 175.8 | 63.2 | 0 | 0 | 0 | 111.3 | V472 L475 Y507 L508 T514 | V472-L510 HydrophobicContact CG2-CD2 4.36Å; L475-L510 HydrophobicContact CD1-CD2 3.95Å; L475-L510 HydrophobicContact CD1-CG 3.85Å; Y507-L510 WeakPolarHBondContact O-CB 3.15Å; Y507-L510 PolarHBondContact O-N 2.74Å; L508-L510 VanDerWaalsContact C-N 3.33Å; L508-L510 PolarHBondContact O-N 3.12Å; L510-T514 PolarHBondContact O-N 2.9Å; L510-T514 PolarHBondContact O-OG1 3.5Å |
| 511 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -54.6 | -179.7 | -63 | 168.7 | 0 | 0 | 0 | 109.6 | M471 L475 F493 L504 Y507 L508 R513 T514 L515 L537 | M471-I511 HydrophobicContact SD-CD1 4.09Å; M471-I511 HydrophobicContact SD-CG1 4.36Å; L475-I511 HydrophobicContact CD1-CG1 4.09Å; L475-I511 HydrophobicContact CD2-CG1 4.41Å; L475-I511 HydrophobicContact CD2-CG2 4.45Å; F493-I511 HydrophobicContact CE1-CG2 3.75Å; F493-I511 HydrophobicContact CZ-CD1 4.13Å; F493-I511 HydrophobicContact CZ-CG1 3.96Å; F493-I511 HydrophobicContact CZ-CG2 4.04Å; L504-I511 HydrophobicContact CB-CD1 4.16Å; L504-I511 HydrophobicContact CD2-CD1 3.69Å; L504-I511 HydrophobicContact CG-CD1 4.41Å; Y507-I511 WeakPolarHBondContact O-CG1 3.47Å; Y507-I511 PolarHBondContact O-N 2.67Å; Y507-I511 VanDerWaalsContact O-N 3.08Å; L508-I511 PolarHBondContact O-N 3.13Å; I511-R513 VanDerWaalsContact C-N 3.35Å; I511-R513 PolarHBondContact O-N 3.07Å; I511-T514 WeakPolarHBondContact O-CA 3.39Å; I511-T514 WeakPolarHBondContact O-CB 3.46Å; I511-T514 PolarHBondContact O-N 3.39Å; I511-L515 HydrophobicContact CG2-CD1 3.83Å; I511-L515 HydrophobicContact CG2-CG 4.23Å; I511-L515 WeakPolarHBondContact O-CG 3.4Å; I511-L515 PolarHBondContact O-N 3.41Å; I511-L537 HydrophobicContact CG2-CD1 4.42Å; I511-L537 HydrophobicContact CG2-CD2 3.78Å |
| 512 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -40.5 | -177.1 | -66 | 175.7 | 0 | 0 | 0 | 112.4 | L508 T514 L515 V516 L537 L545 F550 M553 L554 | L508-L512 VanDerWaalsContact O-CB 3.29Å; L508-L512 WeakPolarHBondContact O-CB 3.41Å; L508-L512 WeakPolarHBondContact O-CG 3.22Å; L508-L512 PolarHBondContact O-N 3.14Å; L512-T514 PolarHBondContact O-N 3.45Å; L512-L515 PolarHBondContact O-N 2.78Å; L512-V516 VanDerWaalsContact O-CB 3.27Å; L512-V516 WeakPolarHBondContact O-CB 3.18Å; L512-V516 VanDerWaalsContact O-CG2 3.25Å; L512-V516 WeakPolarHBondContact O-CG2 3.47Å; L512-V516 PolarHBondContact O-N 3.17Å; L512-L537 HydrophobicContact CD2-CD2 3.8Å; L512-L545 HydrophobicContact CD1-CD1 3.77Å; L512-L545 HydrophobicContact CD2-CD1 3.93Å; L512-L545 HydrophobicContact CG-CD1 4.39Å; L512-F550 HydrophobicContact CD1-CB 3.67Å; L512-F550 HydrophobicContact CD1-CD1 3.7Å; L512-F550 HydrophobicContact CD1-CD2 3.97Å; L512-F550 HydrophobicContact CD1-CE1 4.29Å; L512-F550 HydrophobicContact CD1-CG 3.52Å; L512-M553 HydrophobicContact CB-SD 3.68Å; L512-L554 HydrophobicContact CD2-CD2 4.02Å |
| 513 | R | 98.5 | Very high | 97.4 | Very high | 138 Ų | 138 | 45.6 Ų | 45.6 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 174.4 | -75.3 | 174.1 | -168 | -66 | -13.1 | 112.2 | D509 I511 Y517 M553 | D509-R513 VanDerWaalsContact CG-NE 3.3Å; D509-R513 WeakPolarHBondContact O-CB 3.29Å; D509-R513 WeakPolarHBondContact O-CD 3.26Å; D509-R513 WeakPolarHBondContact O-CG 3.36Å; D509-R513 PolarHBondContact O-N 3.03Å; D509-R513 IonicContact OD1-CZ 3.65Å; D509-R513 IonicContact OD1-NE 2.81Å; D509-R513 PolarHBondContact OD1-NE 3.4Å; D509-R513 IonicContact OD1-NH2 3.59Å; D509-R513 PolarHBondContact OD1-NH2 2.91Å; D509-R513 IonicContact OD2-CZ 3.85Å; D509-R513 IonicContact OD2-NE 3.41Å; D509-R513 PolarHBondContact OD2-NE 3.14Å; D509-R513 IonicContact OD2-NH2 3.19Å; I511-R513 VanDerWaalsContact C-N 3.35Å; I511-R513 PolarHBondContact O-N 3.07Å; R513-Y517 WeakPolarHBondContact O-CB 3.37Å; R513-Y517 PolarHBondContact O-N 3.12Å; R513-Y517 VanDerWaalsContact O-N 3.1Å; R513-M553 HydrophobicContact CB-SD 4.39Å; R513-M553 HydrophobicContact CG-CE 3.87Å; R513-M553 HydrophobicContact CG-SD 3.63Å |
| 514 | T | 98.7 | Very high | 97 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.9 | -50.7 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | L475 I478 L479 L510 I511 L512 V516 Y517 A518 | L475-T514 HydrophobicContact CB-CG2 4.03Å; L475-T514 HydrophobicContact CD2-CG2 3.91Å; L475-T514 VanDerWaalsContact O-CG2 3.29Å; L475-T514 WeakPolarHBondContact O-CG2 3.36Å; I478-T514 HydrophobicContact CB-CG2 4.32Å; I478-T514 HydrophobicContact CG2-CG2 4.14Å; L479-T514 HydrophobicContact CD1-CG2 4Å; L479-T514 HydrophobicContact CD2-CG2 4.12Å; L479-T514 HydrophobicContact CG-CG2 3.79Å; L510-T514 PolarHBondContact O-N 2.9Å; L510-T514 PolarHBondContact O-OG1 3.5Å; I511-T514 WeakPolarHBondContact O-CA 3.39Å; I511-T514 WeakPolarHBondContact O-CB 3.46Å; I511-T514 PolarHBondContact O-N 3.39Å; L512-T514 PolarHBondContact O-N 3.45Å; T514-V516 VanDerWaalsContact C-N 3.34Å; T514-V516 PolarHBondContact O-N 2.99Å; T514-Y517 WeakPolarHBondContact O-CB 3.49Å; T514-Y517 PolarHBondContact O-N 2.91Å; T514-Y517 VanDerWaalsContact O-N 3.14Å; T514-A518 PolarHBondContact O-N 3.46Å |
| 515 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 179.7 | -60.5 | 179.1 | 0 | 0 | 0 | 111.8 | I478 I511 L512 Y517 A518 L519 L530 I534 L537 | I478-L515 HydrophobicContact CD1-CD2 4.01Å; I478-L515 HydrophobicContact CG2-CD2 4.49Å; I511-L515 HydrophobicContact CG2-CD1 3.83Å; I511-L515 HydrophobicContact CG2-CG 4.23Å; I511-L515 WeakPolarHBondContact O-CG 3.4Å; I511-L515 PolarHBondContact O-N 3.41Å; L512-L515 PolarHBondContact O-N 2.78Å; L515-Y517 VanDerWaalsContact C-N 3.32Å; L515-Y517 PolarHBondContact O-N 3.02Å; L515-A518 WeakPolarHBondContact O-CB 3.48Å; L515-A518 PolarHBondContact O-N 2.8Å; L515-L519 PolarHBondContact O-N 3.06Å; L515-L530 HydrophobicContact CB-CD1 4.34Å; L515-L530 HydrophobicContact CD2-CD1 3.7Å; L515-I534 HydrophobicContact CB-CD1 4.5Å; L515-I534 HydrophobicContact CB-CG1 4.21Å; L515-I534 HydrophobicContact CD1-CG1 3.97Å; L515-L537 HydrophobicContact CD1-CD2 3.88Å |
| 516 | V | 98.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -33.1 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 112.4 | L512 T514 M553 L554 P557 | L512-V516 VanDerWaalsContact O-CB 3.27Å; L512-V516 WeakPolarHBondContact O-CB 3.18Å; L512-V516 VanDerWaalsContact O-CG2 3.25Å; L512-V516 WeakPolarHBondContact O-CG2 3.47Å; L512-V516 PolarHBondContact O-N 3.17Å; T514-V516 VanDerWaalsContact C-N 3.34Å; T514-V516 PolarHBondContact O-N 2.99Å; V516-M553 HydrophobicContact CG2-CG 4.23Å; V516-M553 WeakPolarHBondContact CG2-O 3.4Å; V516-L554 HydrophobicContact CG2-CD1 3.92Å; V516-P557 HydrophobicContact CG1-CB 4.38Å; V516-P557 HydrophobicContact CG1-CG 3.78Å |
| 517 | Y | 98 | Very high | 96.1 | Very high | 141 Ų | 141 | 41.3 Ų | 41.3 | 55% | 0.553 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -68.8 | -42.6 | 171.7 | -169.9 | -83.8 | 0 | 0 | 0 | 110.9 | L479 R513 T514 L515 L519 K520 Q521 | L479-Y517 HydrophobicContact CD1-CD1 3.92Å; L479-Y517 HydrophobicContact CD1-CE1 4.48Å; L479-Y517 HydrophobicContact CD1-CG 4.4Å; L479-Y517 HydrophobicContact CD2-CD1 3.59Å; L479-Y517 HydrophobicContact CD2-CE1 4.4Å; L479-Y517 HydrophobicContact CD2-CG 4.4Å; L479-Y517 HydrophobicContact CG-CD1 4.35Å; R513-Y517 WeakPolarHBondContact O-CB 3.37Å; R513-Y517 PolarHBondContact O-N 3.12Å; R513-Y517 VanDerWaalsContact O-N 3.1Å; T514-Y517 WeakPolarHBondContact O-CB 3.49Å; T514-Y517 PolarHBondContact O-N 2.91Å; T514-Y517 VanDerWaalsContact O-N 3.14Å; L515-Y517 VanDerWaalsContact C-N 3.32Å; L515-Y517 PolarHBondContact O-N 3.02Å; Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 2.9Å; Y517-K520 WeakPolarHBondContact O-CB 3.46Å; Y517-K520 PolarHBondContact O-N 3.41Å; Y517-Q521 PolarHBondContact O-N 3.47Å |
| 518 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I478 L479 T514 L515 K520 Q521 Y522 L530 | I478-A518 HydrophobicContact CG2-CB 3.8Å; L479-A518 HydrophobicContact CD2-CB 3.97Å; T514-A518 PolarHBondContact O-N 3.46Å; L515-A518 WeakPolarHBondContact O-CB 3.48Å; L515-A518 PolarHBondContact O-N 2.8Å; A518-K520 PolarHBondContact O-N 2.89Å; A518-Q521 PolarHBondContact O-N 3.25Å; A518-Y522 HydrophobicContact CB-CD1 4.13Å; A518-Y522 HydrophobicContact CB-CE1 3.92Å; A518-Y522 WeakPolarHBondContact O-CB 3.46Å; A518-Y522 PolarHBondContact O-N 2.91Å; A518-L530 VanDerWaalsContact C-CD2 3.48Å; A518-L530 HydrophobicContact CB-CD1 4.02Å; A518-L530 HydrophobicContact CB-CD2 3.6Å; A518-L530 HydrophobicContact CB-CG 4.5Å |
| 519 | L | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55 | -27 | 175.2 | -77.6 | 173.6 | 0 | 0 | 0 | 113.3 | L515 Y517 L527 L530 Y531 I534 P557 L558 K561 | L515-L519 PolarHBondContact O-N 3.06Å; Y517-L519 VanDerWaalsContact C-N 3.3Å; Y517-L519 PolarHBondContact O-N 2.9Å; L519-L527 HydrophobicContact CD2-CD1 3.8Å; L519-L530 HydrophobicContact CB-CD2 4.31Å; L519-L530 HydrophobicContact CD2-CD2 3.76Å; L519-L530 HydrophobicContact CD2-CG 4.3Å; L519-L530 HydrophobicContact CG-CD2 3.85Å; L519-L530 VanDerWaalsContact N-CD2 3.3Å; L519-Y531 HydrophobicContact CD2-CD1 4.14Å; L519-Y531 HydrophobicContact CD2-CE1 3.67Å; L519-I534 HydrophobicContact CD1-CD1 4.13Å; L519-I534 HydrophobicContact CD2-CD1 4.08Å; L519-I534 HydrophobicContact CG-CD1 4.16Å; L519-P557 HydrophobicContact CD1-CB 3.86Å; L519-L558 HydrophobicContact CD1-CD2 3.96Å; L519-L558 HydrophobicContact CD1-CG 4.26Å; L519-L558 HydrophobicContact CD2-CD2 4.18Å; L519-K561 WeakPolarHBondContact O-CE 3.46Å; L519-K561 PolarHBondContact O-NZ 2.94Å |
| 520 | K | 93.7 | Very high | 95.7 | Very high | 151 Ų | 151 | 38 Ų | 38 | 66% | 0.657 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -91.5 | -22.8 | 179.3 | -60.4 | 177.2 | -178.3 | 177.3 | 0 | 113.2 | Y517 A518 | Y517-K520 WeakPolarHBondContact O-CB 3.46Å; Y517-K520 PolarHBondContact O-N 3.41Å; A518-K520 PolarHBondContact O-N 2.89Å |
| 521 | Q | 93.3 | Very high | 95.7 | Very high | 37 Ų | 37 | 34.3 Ų | 34.3 | 17% | 0.173 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -96.3 | -36.7 | -175.2 | -177.9 | 178.7 | -1.5 | 0 | 0 | 112.5 | D480 Y517 A518 | D480-Q521 PolarHBondContact O-NE2 2.76Å; Y517-Q521 PolarHBondContact O-N 3.47Å; A518-Q521 PolarHBondContact O-N 3.25Å |
| 522 | Y | 95.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | trans | -66.4 | 137.2 | -171.3 | -81 | 16.6 | 0 | 0 | 0 | 112.1 | I478 Q486 C490 A518 N526 L530 | I478-Y522 WeakPolarHBondContact O-CE1 3.28Å; I478-Y522 PolarHBondContact O-OH 3.33Å; Q486-Y522 HydrophobicContact CB-CE1 3.78Å; Q486-Y522 WeakPolarHBondContact CB-OH 3.48Å; Q486-Y522 HydrophobicContact CG-CD1 4.46Å; Q486-Y522 HydrophobicContact CG-CE1 3.62Å; Q486-Y522 PolarHBondContact O-OH 3.21Å; C490-Y522 VanDerWaalsContact SG-CE2 3.6Å; C490-Y522 PolarHBondContact SG-OH 3.18Å; A518-Y522 HydrophobicContact CB-CD1 4.13Å; A518-Y522 HydrophobicContact CB-CE1 3.92Å; A518-Y522 WeakPolarHBondContact O-CB 3.46Å; A518-Y522 PolarHBondContact O-N 2.91Å; Y522-N526 VanDerWaalsContact CD2-C 3.48Å; Y522-N526 HydrophobicContact CD2-CB 3.49Å; Y522-N526 VanDerWaalsContact CD2-CB 3.49Å; Y522-N526 VanDerWaalsContact CD2-O 3.25Å; Y522-N526 WeakPolarHBondContact CD2-O 3.34Å; Y522-N526 HydrophobicContact CE2-CB 3.86Å; Y522-N526 HydrophobicContact CG-CB 3.87Å; Y522-L530 HydrophobicContact CD2-CB 3.68Å; Y522-L530 HydrophobicContact CD2-CD2 3.75Å; Y522-L530 HydrophobicContact CD2-CG 4.28Å; Y522-L530 HydrophobicContact CE2-CB 3.78Å; Y522-L530 HydrophobicContact CE2-CD1 4.41Å; Y522-L530 HydrophobicContact CE2-CD2 4.15Å; Y522-L530 HydrophobicContact CE2-CG 4.35Å; Y522-L530 HydrophobicContact CG-CD2 4.25Å | ||
| 523 | Q | 92.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | trans | -75.8 | 174.2 | 166.7 | -54.2 | -60 | -33.4 | 0 | 0 | 110.1 | A324 L326 D328 K483 K525 N526 L527 | A324-Q523 PolarHBondContact O-NE2 3.02Å; A324-Q523 VanDerWaalsContact O-NE2 3.12Å; L326-Q523 VanDerWaalsContact O-CG 3.29Å; L326-Q523 WeakPolarHBondContact O-CG 3.24Å; D328-Q523 WeakPolarHBondContact OD1-CB 3.3Å; D328-Q523 WeakPolarHBondContact OD2-CB 3.12Å; K483-Q523 HydrophobicContact CD-CG 4.34Å; Q523-K525 PolarHBondContact O-N 3.44Å; Q523-N526 PolarHBondContact O-N 3.18Å; Q523-L527 WeakPolarHBondContact O-CB 3.34Å; Q523-L527 PolarHBondContact O-N 3.09Å; Q523-L527 VanDerWaalsContact O-N 3.08Å | ||
| 524 | H | 89.3 | Confident | 95.5 | Very high | 50 Ų | 50 | 31.7 Ų | 31.7 | 23% | 0.231 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -48.8 | -53.2 | -171.6 | -176.5 | -98.8 | 0 | 0 | 0 | 113.7 | D328 I333 N526 L527 F528 D571 | D328-H524 WeakPolarHBondContact OD2-CA 3.38Å; D328-H524 WeakPolarHBondContact OD2-CB 3.33Å; D328-H524 PolarHBondContact OD2-N 3.16Å; I333-H524 VanDerWaalsContact CG2-CE1 3.4Å; I333-H524 WeakPolarHBondContact CG2-CE1 3.23Å; I333-H524 WeakPolarHBondContact CG2-ND1 3.29Å; H524-N526 PolarHBondContact O-N 2.8Å; H524-L527 WeakPolarHBondContact O-CB 3.43Å; H524-L527 PolarHBondContact O-N 3.39Å; H524-F528 AromaticContact CE1-CE2 3.76Å; H524-F528 AromaticContact CE1-CZ 3.4Å; H524-F528 VanDerWaalsContact CE1-CZ 3.4Å; H524-F528 WeakPolarHBondContact CE1-CZ 3.47Å; H524-F528 AromaticContact NE2-CZ 3.55Å; H524-D571 IonicContact CD2-OD2 3.6Å; H524-D571 IonicContact CE1-OD1 2.8Å; H524-D571 IonicContact CE1-OD2 3.84Å; H524-D571 IonicContact NE2-OD1 2.78Å; H524-D571 PolarHBondContact NE2-OD1 2.97Å; H524-D571 IonicContact NE2-OD2 2.74Å; H524-D571 PolarHBondContact NE2-OD2 3.43Å |
| 525 | K | 87.5 | Confident | 95.5 | Very high | 47 Ų | 47 | 31.2 Ų | 31.2 | 20% | 0.204 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | -176.9 | -179.6 | -174.6 | 168.8 | -161 | 0 | 112.5 | D328 E487 Q523 L527 F528 | D328-K525 PolarHBondContact OD2-N 3.31Å; E487-K525 IonicContact OE1-NZ 3.22Å; E487-K525 WeakPolarHBondContact OE2-CE 3.13Å; E487-K525 IonicContact OE2-NZ 3.81Å; E487-K525 PolarHBondContact OE2-NZ 3.24Å; Q523-K525 PolarHBondContact O-N 3.44Å; K525-L527 PolarHBondContact O-N 3.32Å; K525-F528 PolarHBondContact O-N 2.79Å |
| 526 | N | 94 | Very high | 95.5 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.3 | -24.5 | -176.3 | -75.4 | -4.4 | 0 | 0 | 0 | 112.4 | K483 Q486 Y522 Q523 H524 F528 I529 L530 | K483-N526 PolarHBondContact O-ND2 3.24Å; Q486-N526 WeakPolarHBondContact CB-ND2 3.39Å; Q486-N526 PolarHBondContact OE1-ND2 3.37Å; Y522-N526 VanDerWaalsContact CD2-C 3.48Å; Y522-N526 HydrophobicContact CD2-CB 3.49Å; Y522-N526 VanDerWaalsContact CD2-CB 3.49Å; Y522-N526 VanDerWaalsContact CD2-O 3.25Å; Y522-N526 WeakPolarHBondContact CD2-O 3.34Å; Y522-N526 HydrophobicContact CE2-CB 3.86Å; Y522-N526 HydrophobicContact CG-CB 3.87Å; Q523-N526 PolarHBondContact O-N 3.18Å; H524-N526 PolarHBondContact O-N 2.8Å; N526-F528 VanDerWaalsContact C-N 3.25Å; N526-F528 PolarHBondContact O-N 3.26Å; N526-I529 PolarHBondContact O-N 3.04Å; N526-L530 PolarHBondContact O-N 3.01Å |
| 527 | L | 95.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.2 | -35.6 | 178.9 | -171.7 | 60.7 | 0 | 0 | 0 | 112.2 | L519 Q523 H524 K525 L530 Y531 K561 | L519-L527 HydrophobicContact CD2-CD1 3.8Å; Q523-L527 WeakPolarHBondContact O-CB 3.34Å; Q523-L527 PolarHBondContact O-N 3.09Å; Q523-L527 VanDerWaalsContact O-N 3.08Å; H524-L527 WeakPolarHBondContact O-CB 3.43Å; H524-L527 PolarHBondContact O-N 3.39Å; K525-L527 PolarHBondContact O-N 3.32Å; L527-L530 HydrophobicContact CD1-CD2 4.47Å; L527-L530 WeakPolarHBondContact O-CB 3.3Å; L527-L530 PolarHBondContact O-N 2.74Å; L527-Y531 HydrophobicContact CD1-CE1 3.82Å; L527-Y531 HydrophobicContact CD1-CE2 4.38Å; L527-Y531 HydrophobicContact CD2-CE2 4.14Å; L527-Y531 VanDerWaalsContact CD2-OH 3.25Å; L527-Y531 WeakPolarHBondContact CD2-OH 3.49Å; L527-Y531 HydrophobicContact CG-CD2 4.41Å; L527-Y531 HydrophobicContact CG-CE1 4.04Å; L527-Y531 HydrophobicContact CG-CE2 3.67Å; L527-Y531 VanDerWaalsContact CG-CZ 3.44Å; L527-Y531 WeakPolarHBondContact CG-OH 3.37Å; L527-Y531 VanDerWaalsContact O-CD2 3.3Å; L527-Y531 WeakPolarHBondContact O-CD2 3.46Å; L527-Y531 VanDerWaalsContact O-CG 3.28Å; L527-Y531 PolarHBondContact O-N 2.95Å; L527-K561 HydrophobicContact CD2-CD 4.2Å |
| 528 | F | 94.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 24.5 Ų | 24.5 | 15% | 0.149 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.4 | -56.4 | -24.7 | 0 | 0 | 0 | 112.4 | H524 K525 N526 L530 Y531 D532 D571 P574 | H524-F528 AromaticContact CE1-CE2 3.76Å; H524-F528 AromaticContact CE1-CZ 3.4Å; H524-F528 VanDerWaalsContact CE1-CZ 3.4Å; H524-F528 WeakPolarHBondContact CE1-CZ 3.47Å; H524-F528 AromaticContact NE2-CZ 3.55Å; K525-F528 PolarHBondContact O-N 2.79Å; N526-F528 VanDerWaalsContact C-N 3.25Å; N526-F528 PolarHBondContact O-N 3.26Å; F528-L530 VanDerWaalsContact C-N 3.27Å; F528-L530 PolarHBondContact O-N 3.45Å; F528-Y531 HydrophobicContact CD1-CD2 4.35Å; F528-Y531 HydrophobicContact CD1-CE2 4.39Å; F528-Y531 PolarHBondContact O-N 3.5Å; F528-D532 PolarHBondContact O-N 2.89Å; F528-D532 VanDerWaalsContact O-N 3.08Å; F528-D571 HydrophobicContact CE1-CB 4.08Å; F528-D571 HydrophobicContact CZ-CB 4.08Å; F528-P574 HydrophobicContact CB-CB 4.28Å; F528-P574 HydrophobicContact CB-CG 4.12Å; F528-P574 HydrophobicContact CD1-CB 4.38Å; F528-P574 HydrophobicContact CD1-CG 3.88Å; F528-P574 HydrophobicContact CE1-CG 4.45Å; F528-P574 HydrophobicContact CG-CG 3.97Å |
| 529 | I | 94.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.9 | -33.2 | 177.7 | -47.4 | -178.8 | 0 | 0 | 0 | 110.4 | E487 C490 N526 A533 | E487-I529 HydrophobicContact CB-CD1 3.85Å; E487-I529 HydrophobicContact CG-CD1 3.45Å; E487-I529 VanDerWaalsContact CG-CD1 3.45Å; E487-I529 WeakPolarHBondContact OE1-CD1 3.5Å; C490-I529 HydrophobicContact CB-CG2 3.75Å; N526-I529 PolarHBondContact O-N 3.04Å; I529-A533 PolarHBondContact O-N 2.58Å |
| 530 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.8 | -38.1 | 174.2 | -177.5 | 60.9 | 0 | 0 | 0 | 112.5 | L515 A518 L519 Y522 N526 L527 F528 D532 A533 I534 | L515-L530 HydrophobicContact CB-CD1 4.34Å; L515-L530 HydrophobicContact CD2-CD1 3.7Å; A518-L530 VanDerWaalsContact C-CD2 3.48Å; A518-L530 HydrophobicContact CB-CD1 4.02Å; A518-L530 HydrophobicContact CB-CD2 3.6Å; A518-L530 HydrophobicContact CB-CG 4.5Å; L519-L530 HydrophobicContact CB-CD2 4.31Å; L519-L530 HydrophobicContact CD2-CD2 3.76Å; L519-L530 HydrophobicContact CD2-CG 4.3Å; L519-L530 HydrophobicContact CG-CD2 3.85Å; L519-L530 VanDerWaalsContact N-CD2 3.3Å; Y522-L530 HydrophobicContact CD2-CB 3.68Å; Y522-L530 HydrophobicContact CD2-CD2 3.75Å; Y522-L530 HydrophobicContact CD2-CG 4.28Å; Y522-L530 HydrophobicContact CE2-CB 3.78Å; Y522-L530 HydrophobicContact CE2-CD1 4.41Å; Y522-L530 HydrophobicContact CE2-CD2 4.15Å; Y522-L530 HydrophobicContact CE2-CG 4.35Å; Y522-L530 HydrophobicContact CG-CD2 4.25Å; N526-L530 PolarHBondContact O-N 3.01Å; L527-L530 HydrophobicContact CD1-CD2 4.47Å; L527-L530 WeakPolarHBondContact O-CB 3.3Å; L527-L530 PolarHBondContact O-N 2.74Å; F528-L530 VanDerWaalsContact C-N 3.27Å; F528-L530 PolarHBondContact O-N 3.45Å; L530-D532 VanDerWaalsContact C-N 3.33Å; L530-A533 PolarHBondContact O-N 2.55Å; L530-I534 HydrophobicContact CD1-CD1 4.37Å; L530-I534 HydrophobicContact CD1-CG1 4.48Å; L530-I534 HydrophobicContact CG-CD1 4.08Å; L530-I534 VanDerWaalsContact O-CG1 3.28Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 3.45Å |
| 531 | Y | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 173.6 | -64.1 | -35.2 | 0 | 0 | 0 | 111.8 | L519 L527 F528 I534 G535 L558 K561 P574 L575 C578 | L519-Y531 HydrophobicContact CD2-CD1 4.14Å; L519-Y531 HydrophobicContact CD2-CE1 3.67Å; L527-Y531 HydrophobicContact CD1-CE1 3.82Å; L527-Y531 HydrophobicContact CD1-CE2 4.38Å; L527-Y531 HydrophobicContact CD2-CE2 4.14Å; L527-Y531 VanDerWaalsContact CD2-OH 3.25Å; L527-Y531 WeakPolarHBondContact CD2-OH 3.49Å; L527-Y531 HydrophobicContact CG-CD2 4.41Å; L527-Y531 HydrophobicContact CG-CE1 4.04Å; L527-Y531 HydrophobicContact CG-CE2 3.67Å; L527-Y531 VanDerWaalsContact CG-CZ 3.44Å; L527-Y531 WeakPolarHBondContact CG-OH 3.37Å; L527-Y531 VanDerWaalsContact O-CD2 3.3Å; L527-Y531 WeakPolarHBondContact O-CD2 3.46Å; L527-Y531 VanDerWaalsContact O-CG 3.28Å; L527-Y531 PolarHBondContact O-N 2.95Å; F528-Y531 HydrophobicContact CD1-CD2 4.35Å; F528-Y531 HydrophobicContact CD1-CE2 4.39Å; F528-Y531 PolarHBondContact O-N 3.5Å; Y531-I534 PolarHBondContact O-N 3.3Å; Y531-G535 PolarHBondContact O-N 3.32Å; Y531-L558 HydrophobicContact CD1-CD2 4.18Å; Y531-L558 HydrophobicContact CE1-CD2 4.14Å; Y531-K561 WeakPolarHBondContact OH-CB 3.35Å; Y531-K561 WeakPolarHBondContact OH-CG 3.25Å; Y531-P574 HydrophobicContact CD2-CB 4.14Å; Y531-L575 HydrophobicContact CD1-CD1 4.07Å; Y531-L575 HydrophobicContact CD2-CB 4.18Å; Y531-L575 HydrophobicContact CE1-CD1 3.83Å; Y531-L575 HydrophobicContact CE2-CB 3.98Å; Y531-L575 HydrophobicContact CE2-CD1 4.43Å; Y531-L575 HydrophobicContact CG-CD1 4.48Å; Y531-C578 WeakPolarHBondContact O-CB 3.39Å; Y531-C578 PolarHBondContact O-SG 3.25Å; Y531-C578 VanDerWaalsContact O-SG 3.35Å |
| 532 | D | 95.9 | Very high | 96 | Very high | 83 Ų | 83 | 22.2 Ų | 22.2 | 44% | 0.444 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58 | -50.5 | 173.2 | -177.8 | 66.3 | 0 | 0 | 0 | 111.1 | F528 L530 I534 G535 T536 | F528-D532 PolarHBondContact O-N 2.89Å; F528-D532 VanDerWaalsContact O-N 3.08Å; L530-D532 VanDerWaalsContact C-N 3.33Å; D532-I534 VanDerWaalsContact C-N 3.35Å; D532-I534 PolarHBondContact O-N 3.18Å; D532-G535 PolarHBondContact O-N 3.49Å; D532-G535 VanDerWaalsContact O-N 3.15Å; D532-T536 WeakPolarHBondContact O-CB 3.35Å; D532-T536 PolarHBondContact O-N 3.19Å; D532-T536 PolarHBondContact O-OG1 2.77Å |
| 533 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A494 I529 L530 L537 | A494-A533 HydrophobicContact CB-CB 4.4Å; I529-A533 PolarHBondContact O-N 2.58Å; L530-A533 PolarHBondContact O-N 2.55Å; A533-L537 WeakPolarHBondContact O-CB 3.4Å; A533-L537 PolarHBondContact O-N 3.42Å |
| 534 | I | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 176.5 | -68.1 | 165.8 | 0 | 0 | 0 | 111.3 | L515 L519 L530 Y531 D532 A538 L554 L558 M582 | L515-I534 HydrophobicContact CB-CD1 4.5Å; L515-I534 HydrophobicContact CB-CG1 4.21Å; L515-I534 HydrophobicContact CD1-CG1 3.97Å; L519-I534 HydrophobicContact CD1-CD1 4.13Å; L519-I534 HydrophobicContact CD2-CD1 4.08Å; L519-I534 HydrophobicContact CG-CD1 4.16Å; L530-I534 HydrophobicContact CD1-CD1 4.37Å; L530-I534 HydrophobicContact CD1-CG1 4.48Å; L530-I534 HydrophobicContact CG-CD1 4.08Å; L530-I534 VanDerWaalsContact O-CG1 3.28Å; L530-I534 WeakPolarHBondContact O-CG1 3.46Å; L530-I534 PolarHBondContact O-N 3.45Å; Y531-I534 PolarHBondContact O-N 3.3Å; D532-I534 VanDerWaalsContact C-N 3.35Å; D532-I534 PolarHBondContact O-N 3.18Å; I534-A538 PolarHBondContact O-N 3.1Å; I534-A538 VanDerWaalsContact O-N 3.11Å; I534-L554 HydrophobicContact CD1-CD1 4.41Å; I534-L554 HydrophobicContact CG2-CD1 4.14Å; I534-L554 HydrophobicContact CG2-CD2 4.24Å; I534-L558 HydrophobicContact CD1-CD2 4.11Å; I534-L558 HydrophobicContact CG2-CD1 4.3Å; I534-M582 HydrophobicContact CG2-SD 4.15Å |
| 535 | G | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y531 D532 L537 A538 D539 S581 | Y531-G535 PolarHBondContact O-N 3.32Å; D532-G535 PolarHBondContact O-N 3.49Å; D532-G535 VanDerWaalsContact O-N 3.15Å; G535-L537 VanDerWaalsContact C-N 3.34Å; G535-L537 PolarHBondContact O-N 3.36Å; G535-A538 WeakPolarHBondContact O-CA 3.43Å; G535-A538 VanDerWaalsContact O-CB 3.28Å; G535-A538 WeakPolarHBondContact O-CB 3.46Å; G535-A538 PolarHBondContact O-N 3.36Å; G535-D539 PolarHBondContact O-N 3.26Å; G535-S581 WeakPolarHBondContact O-CB 3.32Å |
| 536 | T | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 27.4 Ų | 27.4 | 9% | 0.086 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | A494 E497 E498 D532 A538 D539 S540 | A494-T536 HydrophobicContact CB-CG2 4.32Å; A494-T536 WeakPolarHBondContact O-CG2 3.34Å; E497-T536 HydrophobicContact CB-CG2 4.02Å; E498-T536 HydrophobicContact CG-CG2 3.59Å; D532-T536 WeakPolarHBondContact O-CB 3.35Å; D532-T536 PolarHBondContact O-N 3.19Å; D532-T536 PolarHBondContact O-OG1 2.77Å; T536-A538 VanDerWaalsContact C-N 3.32Å; T536-A538 PolarHBondContact O-N 2.81Å; T536-D539 PolarHBondContact O-N 2.97Å; T536-S540 WeakPolarHBondContact O-CB 3.36Å; T536-S540 PolarHBondContact O-N 2.96Å; T536-S540 PolarHBondContact O-OG 2.74Å |
| 537 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 171.1 | -176.5 | 64.1 | 0 | 0 | 0 | 111.3 | E497 L504 L508 I511 L512 L515 A533 G535 D539 S540 V541 | E497-L537 HydrophobicContact CG-CB 4.48Å; E497-L537 HydrophobicContact CG-CD1 4.07Å; E497-L537 WeakPolarHBondContact OE1-CB 3.23Å; E497-L537 PolarHBondContact OE2-N 2.93Å; E497-L537 VanDerWaalsContact OE2-N 3.13Å; L504-L537 HydrophobicContact CD1-CD1 3.94Å; L508-L537 HydrophobicContact CD2-CD1 4.1Å; L508-L537 HydrophobicContact CD2-CD2 4.38Å; L508-L537 HydrophobicContact CD2-CG 4.49Å; I511-L537 HydrophobicContact CG2-CD1 4.42Å; I511-L537 HydrophobicContact CG2-CD2 3.78Å; L512-L537 HydrophobicContact CD2-CD2 3.8Å; L515-L537 HydrophobicContact CD1-CD2 3.88Å; A533-L537 WeakPolarHBondContact O-CB 3.4Å; A533-L537 PolarHBondContact O-N 3.42Å; G535-L537 VanDerWaalsContact C-N 3.34Å; G535-L537 PolarHBondContact O-N 3.36Å; L537-D539 PolarHBondContact O-N 3.21Å; L537-S540 PolarHBondContact O-N 3.34Å; L537-V541 HydrophobicContact CD1-CG1 4.12Å; L537-V541 VanDerWaalsContact O-CG2 3.31Å; L537-V541 WeakPolarHBondContact O-CG2 3.45Å; L537-V541 PolarHBondContact O-N 2.88Å |
| 538 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I534 G535 T536 S540 G542 L545 M582 A585 | I534-A538 PolarHBondContact O-N 3.1Å; I534-A538 VanDerWaalsContact O-N 3.11Å; G535-A538 WeakPolarHBondContact O-CA 3.43Å; G535-A538 VanDerWaalsContact O-CB 3.28Å; G535-A538 WeakPolarHBondContact O-CB 3.46Å; G535-A538 PolarHBondContact O-N 3.36Å; T536-A538 VanDerWaalsContact C-N 3.32Å; T536-A538 PolarHBondContact O-N 2.81Å; A538-S540 VanDerWaalsContact C-N 3.33Å; A538-S540 PolarHBondContact O-N 3.23Å; A538-G542 VanDerWaalsContact O-CA 3.24Å; A538-G542 WeakPolarHBondContact O-CA 3.3Å; A538-G542 PolarHBondContact O-N 3.46Å; A538-L545 HydrophobicContact CB-CD2 4.13Å; A538-M582 HydrophobicContact CB-CG 4.43Å; A538-M582 HydrophobicContact CB-SD 3.66Å; A538-A585 HydrophobicContact CB-CB 3.79Å; A538-A585 WeakPolarHBondContact O-CB 3.37Å |
| 539 | D | 98.2 | Very high | 97.8 | Very high | 99 Ų | 99 | 40 Ų | 40 | 53% | 0.529 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 176.6 | -69.5 | -32.5 | 0 | 0 | 0 | 112.1 | G535 T536 L537 S581 | G535-D539 PolarHBondContact O-N 3.26Å; T536-D539 PolarHBondContact O-N 2.97Å; L537-D539 PolarHBondContact O-N 3.21Å; D539-S581 VanDerWaalsContact OD1-CB 3.25Å; D539-S581 WeakPolarHBondContact OD1-CB 3.5Å; D539-S581 PolarHBondContact OD1-OG 3.11Å; D539-S581 WeakPolarHBondContact OD2-CB 3.32Å; D539-S581 PolarHBondContact OD2-OG 3.43Å |
| 540 | S | 98.2 | Very high | 98 | Very high | 17 Ų | 17 | 40 Ų | 40 | 12% | 0.119 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -75 | -38.4 | -177 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | E497 C501 T536 L537 A538 | E497-S540 WeakPolarHBondContact O-CB 3.31Å; E497-S540 PolarHBondContact O-OG 2.72Å; C501-S540 CarbonylContact C-O 3.6Å; T536-S540 WeakPolarHBondContact O-CB 3.36Å; T536-S540 PolarHBondContact O-N 2.96Å; T536-S540 PolarHBondContact O-OG 2.74Å; L537-S540 PolarHBondContact O-N 3.34Å; A538-S540 VanDerWaalsContact C-N 3.33Å; A538-S540 PolarHBondContact O-N 3.23Å |
| 541 | V | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -103.2 | -17.5 | -179 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | L504 L508 L537 H543 H544 L545 | L504-V541 HydrophobicContact CB-CG1 4.1Å; L508-V541 HydrophobicContact CD1-CG2 4.45Å; L508-V541 HydrophobicContact CD2-CG1 4.19Å; L508-V541 HydrophobicContact CD2-CG2 4.1Å; L537-V541 HydrophobicContact CD1-CG1 4.12Å; L537-V541 VanDerWaalsContact O-CG2 3.31Å; L537-V541 WeakPolarHBondContact O-CG2 3.45Å; L537-V541 PolarHBondContact O-N 2.88Å; V541-H543 PolarHBondContact O-N 3.45Å; V541-H544 HydrophobicContact CB-CB 4.39Å; V541-H544 WeakPolarHBondContact O-CB 3.46Å; V541-H544 PolarHBondContact O-CD2 3.45Å; V541-H544 VanDerWaalsContact O-CD2 3.25Å; V541-H544 PolarHBondContact O-N 3.46Å; V541-L545 HydrophobicContact CG2-CB 4.08Å |
| 542 | G | 97.2 | Very high | 98 | Very high | 20 Ų | 20 | 47.6 Ų | 47.6 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | 50 | -131.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A538 H544 L545 A585 | A538-G542 VanDerWaalsContact O-CA 3.24Å; A538-G542 WeakPolarHBondContact O-CA 3.3Å; A538-G542 PolarHBondContact O-N 3.46Å; G542-H544 PolarHBondContact O-N 3.36Å; G542-L545 WeakPolarHBondContact O-CB 3.48Å; G542-L545 PolarHBondContact O-N 3.44Å; G542-A585 CarbonylContact C-O 3.56Å |
| 543 | H | 97.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 45.3 Ų | 45.3 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -56 | -15.7 | -175.8 | 76.1 | -73.3 | 0 | 0 | 0 | 115.8 | V541 L545 N546 A585 | V541-H543 PolarHBondContact O-N 3.45Å; H543-L545 PolarHBondContact O-N 3.1Å; H543-N546 WeakPolarHBondContact O-CB 3.36Å; H543-N546 PolarHBondContact O-N 3.48Å; H543-N546 VanDerWaalsContact O-N 3.08Å; H543-A585 WeakPolarHBondContact CA-O 3.35Å |
| 544 | H | 98.3 | Very high | 98 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64 | -22.2 | 173 | -68.2 | -60.9 | 0 | 0 | 0 | 112.9 | V505 L508 V541 G542 N546 | V505-H544 HydrophobicContact CG1-CB 4.37Å; V505-H544 HydrophobicContact CG2-CB 3.77Å; L508-H544 HydrophobicContact CD1-CB 4.32Å; V541-H544 HydrophobicContact CB-CB 4.39Å; V541-H544 WeakPolarHBondContact O-CB 3.46Å; V541-H544 PolarHBondContact O-CD2 3.45Å; V541-H544 VanDerWaalsContact O-CD2 3.25Å; V541-H544 PolarHBondContact O-N 3.46Å; G542-H544 PolarHBondContact O-N 3.36Å; H544-N546 VanDerWaalsContact C-N 3.34Å |
| 545 | L | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -77 | -20 | 174.6 | -162 | 64.1 | 0 | 0 | 0 | 112.7 | L512 A538 V541 G542 H543 R547 F550 L554 M582 L586 | L512-L545 HydrophobicContact CD1-CD1 3.77Å; L512-L545 HydrophobicContact CD2-CD1 3.93Å; L512-L545 HydrophobicContact CG-CD1 4.39Å; A538-L545 HydrophobicContact CB-CD2 4.13Å; V541-L545 HydrophobicContact CG2-CB 4.08Å; G542-L545 WeakPolarHBondContact O-CB 3.48Å; G542-L545 PolarHBondContact O-N 3.44Å; H543-L545 PolarHBondContact O-N 3.1Å; L545-R547 PolarHBondContact O-N 3.03Å; L545-F550 HydrophobicContact CD1-CB 4.46Å; L545-F550 HydrophobicContact CD1-CD2 4.46Å; L545-L554 HydrophobicContact CD2-CD2 4.2Å; L545-M582 HydrophobicContact CD2-CE 3.74Å; L545-M582 HydrophobicContact CD2-SD 3.69Å; L545-L586 HydrophobicContact CB-CD2 3.99Å; L545-L586 HydrophobicContact CD2-CD2 4.06Å; L545-L586 HydrophobicContact CG-CD2 3.77Å; L545-L586 WeakPolarHBondContact O-CD2 3.46Å |
| 546 | N | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 48 Ų | 48 | 31% | 0.31 | 25% | 0.25 | S | S | . | . | trans | -73.6 | 67.7 | 177.2 | -173.1 | 12.7 | 0 | 0 | 0 | 112 | H543 H544 I551 L586 G589 | H543-N546 WeakPolarHBondContact O-CB 3.36Å; H543-N546 PolarHBondContact O-N 3.48Å; H543-N546 VanDerWaalsContact O-N 3.08Å; H544-N546 VanDerWaalsContact C-N 3.34Å; N546-I551 WeakPolarHBondContact OD1-CD1 3.48Å; N546-L586 WeakPolarHBondContact CB-O 3.26Å; N546-L586 PolarHBondContact ND2-O 3.17Å; N546-L586 PolarHBondContact OD1-O 3.11Å; N546-G589 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 547 | R | 97.8 | Very high | 97.9 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | trans | -125.4 | 137.2 | 172.5 | -73.1 | -179.6 | 57.5 | -171.9 | -6.7 | 109.5 | L545 D549 F550 I551 | L545-R547 PolarHBondContact O-N 3.03Å; R547-D549 VanDerWaalsContact C-N 3.3Å; R547-D549 IonicContact NH2-OD2 3.4Å; R547-D549 PolarHBondContact O-N 3.44Å; R547-F550 HydrophobicContact CB-CB 4.26Å; R547-F550 HydrophobicContact CB-CD2 3.86Å; R547-F550 HydrophobicContact CB-CG 4.1Å; R547-F550 HydrophobicContact CG-CD2 4.26Å; R547-F550 PolarHBondContact O-N 2.84Å; R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.3Å; R547-I551 PolarHBondContact O-N 2.85Å | ||
| 548 | P | 97.7 | Very high | 97.9 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 67% | 0.669 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -50.1 | -47.6 | -179.2 | -29.6 | 35.6 | 0 | 0 | 0 | 113.7 | F550 I551 E552 | P548-F550 VanDerWaalsContact C-N 3.32Å; P548-F550 PolarHBondContact O-N 3.22Å; P548-I551 PolarHBondContact O-N 3.36Å; P548-E552 WeakPolarHBondContact O-CB 3.42Å; P548-E552 PolarHBondContact O-N 3.26Å |
| 549 | D | 97.7 | Very high | 97.8 | Very high | 98 Ų | 98 | 49 Ų | 49 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | -179 | -50 | -27.2 | 0 | 0 | 0 | 112.9 | R547 M553 | R547-D549 VanDerWaalsContact C-N 3.3Å; R547-D549 IonicContact NH2-OD2 3.4Å; R547-D549 PolarHBondContact O-N 3.44Å; D549-M553 WeakPolarHBondContact O-CB 3.38Å; D549-M553 PolarHBondContact O-N 3.1Å |
| 550 | F | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.6 | -39.7 | 179.2 | -66.1 | -13.9 | 0 | 0 | 0 | 111.3 | L508 D509 L512 L545 R547 P548 M553 L554 | L508-F550 HydrophobicContact CB-CD2 4.49Å; L508-F550 HydrophobicContact CB-CE2 3.67Å; L508-F550 HydrophobicContact CB-CZ 3.74Å; L508-F550 HydrophobicContact CD1-CD2 4.44Å; L508-F550 HydrophobicContact CD1-CE2 3.82Å; L508-F550 HydrophobicContact CG-CE2 4.4Å; D509-F550 HydrophobicContact CB-CE1 4.14Å; L512-F550 HydrophobicContact CD1-CB 3.67Å; L512-F550 HydrophobicContact CD1-CD1 3.7Å; L512-F550 HydrophobicContact CD1-CD2 3.97Å; L512-F550 HydrophobicContact CD1-CE1 4.29Å; L512-F550 HydrophobicContact CD1-CG 3.52Å; L545-F550 HydrophobicContact CD1-CB 4.46Å; L545-F550 HydrophobicContact CD1-CD2 4.46Å; R547-F550 HydrophobicContact CB-CB 4.26Å; R547-F550 HydrophobicContact CB-CD2 3.86Å; R547-F550 HydrophobicContact CB-CG 4.1Å; R547-F550 HydrophobicContact CG-CD2 4.26Å; R547-F550 PolarHBondContact O-N 2.84Å; P548-F550 VanDerWaalsContact C-N 3.32Å; P548-F550 PolarHBondContact O-N 3.22Å; F550-M553 PolarHBondContact O-N 3.41Å; F550-L554 WeakPolarHBondContact O-CB 3.26Å; F550-L554 PolarHBondContact O-N 3.05Å |
| 551 | I | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 175.1 | -64.8 | 166.5 | 0 | 0 | 0 | 110.4 | N546 R547 P548 M553 L554 M555 P556 L586 Y593 | N546-I551 WeakPolarHBondContact OD1-CD1 3.48Å; R547-I551 VanDerWaalsContact O-CG1 3.31Å; R547-I551 WeakPolarHBondContact O-CG1 3.3Å; R547-I551 PolarHBondContact O-N 2.85Å; P548-I551 PolarHBondContact O-N 3.36Å; I551-M553 VanDerWaalsContact C-N 3.25Å; I551-M553 PolarHBondContact O-N 3.27Å; I551-L554 PolarHBondContact O-N 3.05Å; I551-M555 HydrophobicContact CG2-CB 4.42Å; I551-M555 HydrophobicContact CG2-CG 3.92Å; I551-M555 WeakPolarHBondContact O-CB 3.34Å; I551-M555 PolarHBondContact O-N 3.3Å; I551-P556 WeakPolarHBondContact O-CD 3.48Å; I551-L586 HydrophobicContact CD1-CD2 4.36Å; I551-L586 HydrophobicContact CG1-CD1 4.04Å; I551-L586 HydrophobicContact CG1-CD2 3.81Å; I551-L586 HydrophobicContact CG1-CG 4.49Å; I551-Y593 HydrophobicContact CG2-CE2 3.84Å |
| 552 | E | 97.8 | Very high | 97.6 | Very high | 147 Ų | 147 | 52.5 Ų | 52.5 | 69% | 0.687 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.1 | -31.6 | 177.5 | -172.6 | 176.9 | -174.6 | 0 | 0 | 112.1 | P548 P556 | P548-E552 WeakPolarHBondContact O-CB 3.42Å; P548-E552 PolarHBondContact O-N 3.26Å; E552-P556 VanDerWaalsContact O-CD 3.22Å; E552-P556 WeakPolarHBondContact O-CD 3.47Å; E552-P556 WeakPolarHBondContact O-CG 3.36Å |
| 553 | M | 97.5 | Very high | 97.5 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.7 | -43.9 | 176.7 | -168.9 | -174.1 | -58 | 0 | 0 | 112.5 | L512 R513 V516 D549 F550 I551 P557 | L512-M553 HydrophobicContact CB-SD 3.68Å; R513-M553 HydrophobicContact CB-SD 4.39Å; R513-M553 HydrophobicContact CG-CE 3.87Å; R513-M553 HydrophobicContact CG-SD 3.63Å; V516-M553 HydrophobicContact CG2-CG 4.23Å; V516-M553 WeakPolarHBondContact CG2-O 3.4Å; D549-M553 WeakPolarHBondContact O-CB 3.38Å; D549-M553 PolarHBondContact O-N 3.1Å; F550-M553 PolarHBondContact O-N 3.41Å; I551-M553 VanDerWaalsContact C-N 3.25Å; I551-M553 PolarHBondContact O-N 3.27Å; M553-P557 WeakPolarHBondContact O-CD 3.41Å; M553-P557 WeakPolarHBondContact O-CG 3.44Å |
| 554 | L | 97.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -94.7 | -43.7 | -166.3 | -177.3 | 61.1 | 0 | 0 | 0 | 113.9 | L512 V516 I534 L545 F550 I551 P557 L558 M582 | L512-L554 HydrophobicContact CD2-CD2 4.02Å; V516-L554 HydrophobicContact CG2-CD1 3.92Å; I534-L554 HydrophobicContact CD1-CD1 4.41Å; I534-L554 HydrophobicContact CG2-CD1 4.14Å; I534-L554 HydrophobicContact CG2-CD2 4.24Å; L545-L554 HydrophobicContact CD2-CD2 4.2Å; F550-L554 WeakPolarHBondContact O-CB 3.26Å; F550-L554 PolarHBondContact O-N 3.05Å; I551-L554 PolarHBondContact O-N 3.05Å; L554-P557 WeakPolarHBondContact O-CD 3.22Å; L554-L558 HydrophobicContact CD1-CD1 4.06Å; L554-L558 HydrophobicContact CD1-CG 4.4Å; L554-L558 HydrophobicContact CG-CD1 3.89Å; L554-L558 WeakPolarHBondContact O-CG 3.49Å; L554-L558 PolarHBondContact O-N 3.47Å; L554-M582 HydrophobicContact CD2-CE 3.28Å; L554-M582 HydrophobicContact CD2-SD 3.72Å; L554-M582 HydrophobicContact CG-CE 4.12Å |
| 555 | M | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.3 | -41.7 | -170.3 | -68.1 | -56.7 | -59.5 | 0 | 0 | 114 | I551 L558 F559 L579 M582 L586 F590 Y593 | I551-M555 HydrophobicContact CG2-CB 4.42Å; I551-M555 HydrophobicContact CG2-CG 3.92Å; I551-M555 WeakPolarHBondContact O-CB 3.34Å; I551-M555 PolarHBondContact O-N 3.3Å; M555-L558 PolarHBondContact O-N 3.23Å; M555-L558 HydrophobicContact SD-CD1 4.28Å; M555-F559 HydrophobicContact CE-CD2 3.8Å; M555-F559 HydrophobicContact CE-CE2 3.48Å; M555-F559 VanDerWaalsContact CE-CE2 3.48Å; M555-F559 WeakPolarHBondContact O-CB 3.36Å; M555-F559 PolarHBondContact O-N 3.33Å; M555-L579 HydrophobicContact CE-CD2 4.05Å; M555-M582 HydrophobicContact SD-CE 3.62Å; M555-L586 HydrophobicContact CG-CD1 3.82Å; M555-L586 HydrophobicContact SD-CD1 3.69Å; M555-F590 HydrophobicContact CE-CD2 3.92Å; M555-F590 HydrophobicContact CE-CE2 3.35Å; M555-F590 HydrophobicContact CE-CZ 3.98Å; M555-F590 HydrophobicContact SD-CD2 4.47Å; M555-F590 HydrophobicContact SD-CE2 4.24Å; M555-Y593 HydrophobicContact CB-CD1 4.38Å; M555-Y593 HydrophobicContact CB-CD2 4.13Å; M555-Y593 HydrophobicContact CB-CE1 3.78Å; M555-Y593 HydrophobicContact CB-CE2 3.51Å; M555-Y593 WeakPolarHBondContact CB-OH 3.46Å; M555-Y593 HydrophobicContact CE-CD1 4.33Å; M555-Y593 HydrophobicContact CE-CD2 4.05Å; M555-Y593 HydrophobicContact CE-CG 3.94Å; M555-Y593 HydrophobicContact CG-CD2 4.11Å; M555-Y593 HydrophobicContact CG-CE2 3.74Å |
| 556 | P | 97.8 | Very high | 97.1 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 179.6 | -20.7 | 31.6 | 0 | 0 | 0 | 113.9 | I551 E552 F559 E560 | I551-P556 WeakPolarHBondContact O-CD 3.48Å; E552-P556 VanDerWaalsContact O-CD 3.22Å; E552-P556 WeakPolarHBondContact O-CD 3.47Å; E552-P556 WeakPolarHBondContact O-CG 3.36Å; P556-F559 PolarHBondContact O-N 3.42Å; P556-E560 PolarHBondContact O-N 3.48Å |
| 557 | P | 97.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -40 | 173 | -26 | 35.6 | 0 | 0 | 0 | 114.3 | V516 L519 M553 L554 F559 E560 K561 | V516-P557 HydrophobicContact CG1-CB 4.38Å; V516-P557 HydrophobicContact CG1-CG 3.78Å; L519-P557 HydrophobicContact CD1-CB 3.86Å; M553-P557 WeakPolarHBondContact O-CD 3.41Å; M553-P557 WeakPolarHBondContact O-CG 3.44Å; L554-P557 WeakPolarHBondContact O-CD 3.22Å; P557-F559 VanDerWaalsContact C-N 3.32Å; P557-E560 WeakPolarHBondContact O-CB 3.2Å; P557-E560 PolarHBondContact O-N 3.31Å; P557-K561 PolarHBondContact O-N 3.37Å |
| 558 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.1 | -72.4 | 174.5 | 0 | 0 | 0 | 111.3 | L519 Y531 I534 L554 M555 E560 K561 W562 L575 M582 | L519-L558 HydrophobicContact CD1-CD2 3.96Å; L519-L558 HydrophobicContact CD1-CG 4.26Å; L519-L558 HydrophobicContact CD2-CD2 4.18Å; Y531-L558 HydrophobicContact CD1-CD2 4.18Å; Y531-L558 HydrophobicContact CE1-CD2 4.14Å; I534-L558 HydrophobicContact CD1-CD2 4.11Å; I534-L558 HydrophobicContact CG2-CD1 4.3Å; L554-L558 HydrophobicContact CD1-CD1 4.06Å; L554-L558 HydrophobicContact CD1-CG 4.4Å; L554-L558 HydrophobicContact CG-CD1 3.89Å; L554-L558 WeakPolarHBondContact O-CG 3.49Å; L554-L558 PolarHBondContact O-N 3.47Å; M555-L558 PolarHBondContact O-N 3.23Å; M555-L558 HydrophobicContact SD-CD1 4.28Å; L558-E560 VanDerWaalsContact C-N 3.33Å; L558-E560 PolarHBondContact O-N 3.13Å; L558-K561 WeakPolarHBondContact O-CB 3.38Å; L558-K561 PolarHBondContact O-N 3.04Å; L558-W562 PolarHBondContact O-N 3.31Å; L558-L575 HydrophobicContact CD2-CD1 4.2Å; L558-M582 HydrophobicContact CD1-CG 4.45Å |
| 559 | F | 97.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 56 Ų | 56 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 177.1 | -98 | -105.7 | 0 | 0 | 0 | 113.4 | M555 P556 P557 K561 W562 N563 L579 Y593 P596 V597 | M555-F559 HydrophobicContact CE-CD2 3.8Å; M555-F559 HydrophobicContact CE-CE2 3.48Å; M555-F559 VanDerWaalsContact CE-CE2 3.48Å; M555-F559 WeakPolarHBondContact O-CB 3.36Å; M555-F559 PolarHBondContact O-N 3.33Å; P556-F559 PolarHBondContact O-N 3.42Å; P557-F559 VanDerWaalsContact C-N 3.32Å; F559-K561 VanDerWaalsContact C-N 3.32Å; F559-W562 WeakPolarHBondContact O-CB 3.45Å; F559-W562 PolarHBondContact O-N 3.13Å; F559-N563 WeakPolarHBondContact O-CB 3.44Å; F559-N563 PolarHBondContact O-N 3.34Å; F559-N563 PolarHBondContact O-ND2 3.09Å; F559-L579 HydrophobicContact CE2-CD2 4.36Å; F559-Y593 HydrophobicContact CD1-CD1 4.11Å; F559-Y593 AromaticContact CD2-CD1 3.61Å; F559-Y593 HydrophobicContact CD2-CD1 3.61Å; F559-Y593 HydrophobicContact CD2-CE1 4.17Å; F559-Y593 HydrophobicContact CD2-CG 4.32Å; F559-Y593 AromaticContact CE1-CD1 3.96Å; F559-Y593 HydrophobicContact CE1-CD1 3.96Å; F559-Y593 AromaticContact CE2-CD1 3.47Å; F559-Y593 HydrophobicContact CE2-CD1 3.47Å; F559-Y593 VanDerWaalsContact CE2-CD1 3.47Å; F559-Y593 HydrophobicContact CE2-CE1 4.43Å; F559-Y593 AromaticContact CE2-CG 3.78Å; F559-Y593 HydrophobicContact CE2-CG 3.78Å; F559-Y593 AromaticContact CG-CD1 3.93Å; F559-Y593 HydrophobicContact CG-CD1 3.93Å; F559-Y593 HydrophobicContact CG-CE1 4.35Å; F559-Y593 VanDerWaalsContact CZ-CB 3.44Å; F559-Y593 AromaticContact CZ-CD1 3.65Å; F559-Y593 HydrophobicContact CZ-CD1 3.65Å; F559-Y593 AromaticContact CZ-CG 3.95Å; F559-Y593 HydrophobicContact CZ-CG 3.95Å; F559-P596 HydrophobicContact CE1-CG 3.91Å; F559-V597 HydrophobicContact CE1-CG2 4.3Å; F559-V597 HydrophobicContact CE2-CG2 4.33Å; F559-V597 HydrophobicContact CZ-CG2 3.54Å |
| 560 | E | 97 | Very high | 95.9 | Very high | 130 Ų | 130 | 55.1 Ų | 55.1 | 61% | 0.607 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 171.1 | -172.1 | 174.7 | -172.2 | 0 | 0 | 110.2 | P556 P557 L558 N563 V564 | P556-E560 PolarHBondContact O-N 3.48Å; P557-E560 WeakPolarHBondContact O-CB 3.2Å; P557-E560 PolarHBondContact O-N 3.31Å; L558-E560 VanDerWaalsContact C-N 3.33Å; L558-E560 PolarHBondContact O-N 3.13Å; E560-N563 PolarHBondContact O-N 3.5Å; E560-V564 WeakPolarHBondContact O-CG2 3.37Å; E560-V564 PolarHBondContact O-N 3.25Å |
| 561 | K | 95.8 | Very high | 95.5 | Very high | 58 Ų | 58 | 56.9 Ų | 56.9 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 174.3 | -59.7 | -64.5 | -173.8 | 171 | 0 | 112.3 | L519 L527 Y531 P557 L558 F559 N563 V564 L565 L575 | L519-K561 WeakPolarHBondContact O-CE 3.46Å; L519-K561 PolarHBondContact O-NZ 2.94Å; L527-K561 HydrophobicContact CD2-CD 4.2Å; Y531-K561 WeakPolarHBondContact OH-CB 3.35Å; Y531-K561 WeakPolarHBondContact OH-CG 3.25Å; P557-K561 PolarHBondContact O-N 3.37Å; L558-K561 WeakPolarHBondContact O-CB 3.38Å; L558-K561 PolarHBondContact O-N 3.04Å; F559-K561 VanDerWaalsContact C-N 3.32Å; K561-N563 VanDerWaalsContact C-N 3.28Å; K561-N563 PolarHBondContact O-N 3.2Å; K561-V564 PolarHBondContact O-N 3.41Å; K561-V564 VanDerWaalsContact O-N 3.13Å; K561-L565 PolarHBondContact O-N 3.45Å; K561-L575 HydrophobicContact CB-CD2 4.22Å |
| 562 | W | 96.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -53 | -44.9 | 176.4 | 173.6 | -98.4 | 0 | 0 | 0 | 112.9 | L558 F559 V564 L572 L575 L576 L579 V597 R600 | L558-W562 PolarHBondContact O-N 3.31Å; F559-W562 WeakPolarHBondContact O-CB 3.45Å; F559-W562 PolarHBondContact O-N 3.13Å; W562-V564 VanDerWaalsContact C-N 3.29Å; W562-V564 PolarHBondContact O-N 3.36Å; W562-L572 HydrophobicContact CE3-CD1 3.87Å; W562-L572 HydrophobicContact CZ3-CD1 3.75Å; W562-L575 HydrophobicContact CB-CD2 3.98Å; W562-L575 HydrophobicContact CE3-CD2 4.1Å; W562-L575 HydrophobicContact CE3-CG 4.37Å; W562-L576 HydrophobicContact CH2-CD2 3.58Å; W562-L576 HydrophobicContact CZ3-CD2 3.44Å; W562-L576 VanDerWaalsContact CZ3-CD2 3.44Å; W562-L576 HydrophobicContact CZ3-CG 4.08Å; W562-L579 HydrophobicContact CD2-CD1 4.15Å; W562-L579 HydrophobicContact CE3-CD1 3.5Å; W562-L579 HydrophobicContact CH2-CD1 4.41Å; W562-L579 HydrophobicContact CZ3-CD1 3.68Å; W562-V597 HydrophobicContact CH2-CG1 4.45Å; W562-V597 HydrophobicContact CZ2-CB 4.44Å; W562-V597 HydrophobicContact CZ2-CG2 4.15Å; W562-R600 HydrophobicContact CH2-CB 4.16Å; W562-R600 VanDerWaalsContact CH2-CD 3.42Å; W562-R600 HydrophobicContact CH2-CG 4.29Å; W562-R600 HydrophobicContact CZ2-CB 3.65Å; W562-R600 HydrophobicContact CZ2-CG 3.96Å; W562-R600 PolarHBondContact O-NH1 2.95Å |
| 563 | N | 96.2 | Very high | 95.2 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -74.4 | -18 | -176.6 | -70.5 | -39.4 | 0 | 0 | 0 | 113.6 | F559 E560 K561 | F559-N563 WeakPolarHBondContact O-CB 3.44Å; F559-N563 PolarHBondContact O-N 3.34Å; F559-N563 PolarHBondContact O-ND2 3.09Å; E560-N563 PolarHBondContact O-N 3.5Å; K561-N563 VanDerWaalsContact C-N 3.28Å; K561-N563 PolarHBondContact O-N 3.2Å |
| 564 | V | 94.6 | Very high | 95 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 67% | 0.667 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -81.4 | -37.4 | 179.2 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | E560 K561 W562 | E560-V564 WeakPolarHBondContact O-CG2 3.37Å; E560-V564 PolarHBondContact O-N 3.25Å; K561-V564 PolarHBondContact O-N 3.41Å; K561-V564 VanDerWaalsContact O-N 3.13Å; W562-V564 VanDerWaalsContact C-N 3.29Å; W562-V564 PolarHBondContact O-N 3.36Å |
| 565 | L | 94.4 | Very high | 95 | Very high | 26 Ų | 26 | 49.1 Ų | 49.1 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -72.5 | 142.4 | -175.9 | -63.7 | 174.6 | 0 | 0 | 0 | 111.7 | K561 E569 D571 L572 L575 R600 | K561-L565 PolarHBondContact O-N 3.45Å; L565-E569 WeakPolarHBondContact CD2-OE2 3.34Å; L565-D571 HydrophobicContact CD1-CB 4.5Å; L565-D571 HydrophobicContact CD2-CB 3.79Å; L565-L572 HydrophobicContact CB-CD1 4.3Å; L565-L572 HydrophobicContact CD1-CB 4.49Å; L565-L572 HydrophobicContact CD1-CD1 4.11Å; L565-L575 HydrophobicContact CD1-CD2 4Å; L565-R600 PolarHBondContact O-NH2 3.3Å |
| 566 | R | 94.5 | Very high | 95 | Very high | 146 Ų | 146 | 49.1 Ų | 49.1 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | trans | -88.4 | 165.4 | 171.4 | -60.4 | -178.4 | -51 | -85.1 | 7.8 | 112.7 | D568 E569 | R566-D568 WeakPolarHBondContact CB-OD1 3.47Å; R566-D568 IonicContact CZ-OD1 2.66Å; R566-D568 IonicContact NE-OD1 3.61Å; R566-D568 PolarHBondContact NE-OD1 3.13Å; R566-D568 IonicContact NH2-OD1 3.57Å; R566-D568 PolarHBondContact O-N 3.45Å; R566-E569 HydrophobicContact CB-CG 4.11Å; R566-E569 WeakPolarHBondContact CB-OE1 3.32Å; R566-E569 WeakPolarHBondContact CG-OE1 3.25Å; R566-E569 IonicContact CZ-OE1 2.67Å; R566-E569 PolarHBondContact N-OE1 3.35Å; R566-E569 IonicContact NE-OE1 3.14Å; R566-E569 PolarHBondContact NE-OE1 2.95Å; R566-E569 IonicContact NH1-OE1 2.69Å; R566-E569 PolarHBondContact NH1-OE1 3.3Å; R566-E569 IonicContact NH2-OE1 2.74Å; R566-E569 PolarHBondContact O-N 3.06Å | ||
| 567 | D | 94.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.2 | -178.9 | -68 | -5 | 0 | 0 | 0 | 114.2 | R600 L604 R607 | D567-R600 IonicContact OD1-CZ 2.77Å; D567-R600 IonicContact OD1-NE 3.75Å; D567-R600 PolarHBondContact OD1-NE 3.47Å; D567-R600 IonicContact OD1-NH2 2.67Å; D567-R600 PolarHBondContact OD1-NH2 3.31Å; D567-L604 HydrophobicContact CB-CD2 3.8Å; D567-R607 PolarHBondContact O-NH1 3.23Å |
| 568 | D | 91.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 49 Ų | 49 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 1 | 175.6 | 62.9 | -19.2 | 0 | 0 | 0 | 113 | R566 | R566-D568 WeakPolarHBondContact CB-OD1 3.47Å; R566-D568 IonicContact CZ-OD1 2.66Å; R566-D568 IonicContact NE-OD1 3.61Å; R566-D568 PolarHBondContact NE-OD1 3.13Å; R566-D568 IonicContact NH2-OD1 3.57Å; R566-D568 PolarHBondContact O-N 3.45Å |
| 569 | E | 90.8 | Very high | 95 | Very high | 32 Ų | 32 | 49 Ų | 49 | 15% | 0.15 | 24% | 0.24 | C | C | . | . | trans | -90.5 | 126.3 | 178.3 | -68.8 | 172.7 | -130.1 | 0 | 0 | 110.9 | L565 R566 D571 L572 | L565-E569 WeakPolarHBondContact CD2-OE2 3.34Å; R566-E569 HydrophobicContact CB-CG 4.11Å; R566-E569 WeakPolarHBondContact CB-OE1 3.32Å; R566-E569 WeakPolarHBondContact CG-OE1 3.25Å; R566-E569 IonicContact CZ-OE1 2.67Å; R566-E569 PolarHBondContact N-OE1 3.35Å; R566-E569 IonicContact NE-OE1 3.14Å; R566-E569 PolarHBondContact NE-OE1 2.95Å; R566-E569 IonicContact NH1-OE1 2.69Å; R566-E569 PolarHBondContact NH1-OE1 3.3Å; R566-E569 IonicContact NH2-OE1 2.74Å; R566-E569 PolarHBondContact O-N 3.06Å; E569-D571 HydrophobicContact CB-CB 4.44Å; E569-D571 PolarHBondContact O-N 3.03Å; E569-L572 VanDerWaalsContact O-CB 3.29Å; E569-L572 WeakPolarHBondContact O-CB 3.46Å; E569-L572 PolarHBondContact O-N 3.28Å | ||
| 570 | K | 90.6 | Very high | 95 | Very high | 81 Ų | 81 | 49 Ų | 49 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.5 | 175.1 | -64.2 | -170.2 | 175.9 | -149.8 | 0 | 112.9 | L572 F573 D626 | K570-L572 PolarHBondContact O-N 2.89Å; K570-F573 HydrophobicContact CB-CD2 4.32Å; K570-F573 HydrophobicContact CB-CE2 4.12Å; K570-F573 HydrophobicContact CB-CZ 4.45Å; K570-F573 HydrophobicContact CD-CE2 4.43Å; K570-F573 HydrophobicContact CG-CE2 4.1Å; K570-F573 HydrophobicContact CG-CZ 4.23Å; K570-F573 VanDerWaalsContact O-CB 3.29Å; K570-F573 WeakPolarHBondContact O-CB 3.5Å; K570-F573 WeakPolarHBondContact O-CG 3.42Å; K570-F573 PolarHBondContact O-N 3.03Å; K570-D626 WeakPolarHBondContact CE-OD2 3.37Å; K570-D626 IonicContact NZ-OD2 2.67Å; K570-D626 PolarHBondContact NZ-OD2 2.96Å |
| 571 | D | 90.9 | Very high | 95 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.4 | 173.4 | -60.7 | -1.9 | 0 | 0 | 0 | 113.1 | H524 F528 L565 E569 F573 P574 | H524-D571 IonicContact CD2-OD2 3.6Å; H524-D571 IonicContact CE1-OD1 2.8Å; H524-D571 IonicContact CE1-OD2 3.84Å; H524-D571 IonicContact NE2-OD1 2.78Å; H524-D571 PolarHBondContact NE2-OD1 2.97Å; H524-D571 IonicContact NE2-OD2 2.74Å; H524-D571 PolarHBondContact NE2-OD2 3.43Å; F528-D571 HydrophobicContact CE1-CB 4.08Å; F528-D571 HydrophobicContact CZ-CB 4.08Å; L565-D571 HydrophobicContact CD1-CB 4.5Å; L565-D571 HydrophobicContact CD2-CB 3.79Å; E569-D571 HydrophobicContact CB-CB 4.44Å; E569-D571 PolarHBondContact O-N 3.03Å; D571-F573 VanDerWaalsContact C-N 3.27Å; D571-F573 PolarHBondContact O-N 3.39Å; D571-P574 WeakPolarHBondContact O-CD 3.15Å |
| 572 | L | 93.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.2 | -25.8 | 173.9 | -170.2 | 61.4 | 0 | 0 | 0 | 112.6 | W562 L565 E569 K570 L575 L576 L604 | W562-L572 HydrophobicContact CE3-CD1 3.87Å; W562-L572 HydrophobicContact CZ3-CD1 3.75Å; L565-L572 HydrophobicContact CB-CD1 4.3Å; L565-L572 HydrophobicContact CD1-CB 4.49Å; L565-L572 HydrophobicContact CD1-CD1 4.11Å; E569-L572 VanDerWaalsContact O-CB 3.29Å; E569-L572 WeakPolarHBondContact O-CB 3.46Å; E569-L572 PolarHBondContact O-N 3.28Å; K570-L572 PolarHBondContact O-N 2.89Å; L572-L575 PolarHBondContact O-N 3.11Å; L572-L576 HydrophobicContact CD1-CG 4.33Å; L572-L576 HydrophobicContact CD2-CD1 4.06Å; L572-L576 HydrophobicContact CG-CD1 3.73Å; L572-L576 HydrophobicContact CG-CG 3.89Å; L572-L576 WeakPolarHBondContact O-CG 3.43Å; L572-L576 PolarHBondContact O-N 2.98Å; L572-L604 HydrophobicContact CD2-CD1 3.86Å |
| 573 | F | 94.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -55.6 | -173.1 | -64.4 | -8.3 | 0 | 0 | 0 | 113.3 | H338 K570 D571 L575 L576 E577 D628 F629 I632 | H338-F573 HydrophobicContact CB-CD2 4.46Å; K570-F573 HydrophobicContact CB-CD2 4.32Å; K570-F573 HydrophobicContact CB-CE2 4.12Å; K570-F573 HydrophobicContact CB-CZ 4.45Å; K570-F573 HydrophobicContact CD-CE2 4.43Å; K570-F573 HydrophobicContact CG-CE2 4.1Å; K570-F573 HydrophobicContact CG-CZ 4.23Å; K570-F573 VanDerWaalsContact O-CB 3.29Å; K570-F573 WeakPolarHBondContact O-CB 3.5Å; K570-F573 WeakPolarHBondContact O-CG 3.42Å; K570-F573 PolarHBondContact O-N 3.03Å; D571-F573 VanDerWaalsContact C-N 3.27Å; D571-F573 PolarHBondContact O-N 3.39Å; F573-L575 PolarHBondContact O-N 3.3Å; F573-L576 PolarHBondContact O-N 3.33Å; F573-E577 PolarHBondContact O-N 3.26Å; F573-E577 VanDerWaalsContact O-N 3.1Å; F573-D628 HydrophobicContact CD2-CB 4.46Å; F573-D628 HydrophobicContact CE1-CB 4.37Å; F573-D628 HydrophobicContact CE2-CB 3.64Å; F573-D628 HydrophobicContact CZ-CB 3.6Å; F573-F629 HydrophobicContact CD1-CD1 4.47Å; F573-F629 HydrophobicContact CD1-CE1 4.45Å; F573-F629 HydrophobicContact CE1-CB 4.39Å; F573-F629 AromaticContact CE1-CD1 3.55Å; F573-F629 HydrophobicContact CE1-CD1 3.55Å; F573-F629 AromaticContact CE1-CD2 3.87Å; F573-F629 HydrophobicContact CE1-CD2 3.87Å; F573-F629 AromaticContact CE1-CE1 3.61Å; F573-F629 HydrophobicContact CE1-CE1 3.61Å; F573-F629 AromaticContact CE1-CE2 3.94Å; F573-F629 HydrophobicContact CE1-CE2 3.94Å; F573-F629 AromaticContact CE1-CG 3.68Å; F573-F629 HydrophobicContact CE1-CG 3.68Å; F573-F629 AromaticContact CE1-CZ 3.8Å; F573-F629 HydrophobicContact CE1-CZ 3.8Å; F573-F629 HydrophobicContact CZ-CD1 4.33Å; F573-F629 AromaticContact CZ-CD2 3.83Å; F573-F629 HydrophobicContact CZ-CD2 3.83Å; F573-F629 HydrophobicContact CZ-CE1 4.28Å; F573-F629 AromaticContact CZ-CE2 3.78Å; F573-F629 HydrophobicContact CZ-CE2 3.78Å; F573-F629 HydrophobicContact CZ-CG 4.1Å; F573-F629 HydrophobicContact CZ-CZ 4.01Å; F573-I632 HydrophobicContact CB-CD1 3.45Å; F573-I632 VanDerWaalsContact CB-CD1 3.45Å; F573-I632 HydrophobicContact CD1-CD1 3.54Å; F573-I632 HydrophobicContact CD2-CD1 3.83Å; F573-I632 HydrophobicContact CE1-CD1 4.21Å; F573-I632 HydrophobicContact CE2-CD1 4.46Å; F573-I632 HydrophobicContact CG-CD1 3.32Å |
| 574 | P | 95 | Very high | 95.4 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69.4 | -26.3 | -175.7 | -15.6 | 32.9 | 0 | 0 | 0 | 111.9 | F528 Y531 D571 C578 | F528-P574 HydrophobicContact CB-CB 4.28Å; F528-P574 HydrophobicContact CB-CG 4.12Å; F528-P574 HydrophobicContact CD1-CB 4.38Å; F528-P574 HydrophobicContact CD1-CG 3.88Å; F528-P574 HydrophobicContact CE1-CG 4.45Å; F528-P574 HydrophobicContact CG-CG 3.97Å; Y531-P574 HydrophobicContact CD2-CB 4.14Å; D571-P574 WeakPolarHBondContact O-CD 3.15Å; P574-C578 WeakPolarHBondContact O-CB 3.19Å; P574-C578 PolarHBondContact O-N 2.9Å |
| 575 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.1 | -38.9 | 175.4 | -177.5 | 58.7 | 0 | 0 | 0 | 112.1 | Y531 L558 K561 W562 L565 L572 F573 C578 L579 | Y531-L575 HydrophobicContact CD1-CD1 4.07Å; Y531-L575 HydrophobicContact CD2-CB 4.18Å; Y531-L575 HydrophobicContact CE1-CD1 3.83Å; Y531-L575 HydrophobicContact CE2-CB 3.98Å; Y531-L575 HydrophobicContact CE2-CD1 4.43Å; Y531-L575 HydrophobicContact CG-CD1 4.48Å; L558-L575 HydrophobicContact CD2-CD1 4.2Å; K561-L575 HydrophobicContact CB-CD2 4.22Å; W562-L575 HydrophobicContact CB-CD2 3.98Å; W562-L575 HydrophobicContact CE3-CD2 4.1Å; W562-L575 HydrophobicContact CE3-CG 4.37Å; L565-L575 HydrophobicContact CD1-CD2 4Å; L572-L575 PolarHBondContact O-N 3.11Å; F573-L575 PolarHBondContact O-N 3.3Å; L575-C578 PolarHBondContact O-N 3.24Å; L575-L579 HydrophobicContact CD1-CG 4.37Å; L575-L579 HydrophobicContact CG-CD1 4.34Å; L575-L579 WeakPolarHBondContact O-CB 3.49Å; L575-L579 VanDerWaalsContact O-CG 3.27Å; L575-L579 WeakPolarHBondContact O-CG 3.37Å; L575-L579 PolarHBondContact O-N 2.98Å |
| 576 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.2 | -74.2 | 163.9 | 0 | 0 | 0 | 111.3 | W562 L572 F573 L579 S580 I632 L636 | W562-L576 HydrophobicContact CH2-CD2 3.58Å; W562-L576 HydrophobicContact CZ3-CD2 3.44Å; W562-L576 VanDerWaalsContact CZ3-CD2 3.44Å; W562-L576 HydrophobicContact CZ3-CG 4.08Å; L572-L576 HydrophobicContact CD1-CG 4.33Å; L572-L576 HydrophobicContact CD2-CD1 4.06Å; L572-L576 HydrophobicContact CG-CD1 3.73Å; L572-L576 HydrophobicContact CG-CG 3.89Å; L572-L576 WeakPolarHBondContact O-CG 3.43Å; L572-L576 PolarHBondContact O-N 2.98Å; F573-L576 PolarHBondContact O-N 3.33Å; L576-L579 PolarHBondContact O-N 3.24Å; L576-S580 PolarHBondContact O-N 2.91Å; L576-I632 HydrophobicContact CB-CG2 3.34Å; L576-I632 HydrophobicContact CD1-CB 4.29Å; L576-I632 HydrophobicContact CD1-CG2 3.75Å; L576-I632 HydrophobicContact CG-CG2 4.18Å; L576-L636 HydrophobicContact CB-CD2 4.26Å; L576-L636 HydrophobicContact CD2-CD2 3.33Å; L576-L636 HydrophobicContact CG-CD2 4.4Å |
| 577 | E | 96.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 24.7 Ų | 24.7 | 32% | 0.322 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -58.7 | -50.8 | 174.7 | -70.5 | 172.9 | -165.6 | 0 | 0 | 110.9 | H338 F573 L579 S580 S581 I632 | H338-E577 IonicContact CE1-OE1 2.77Å; H338-E577 PolarHBondContact CE1-OE1 3.34Å; H338-E577 IonicContact ND1-OE1 2.58Å; H338-E577 PolarHBondContact ND1-OE1 3.07Å; F573-E577 PolarHBondContact O-N 3.26Å; F573-E577 VanDerWaalsContact O-N 3.1Å; E577-L579 VanDerWaalsContact C-N 3.31Å; E577-L579 PolarHBondContact O-N 3.05Å; E577-S580 WeakPolarHBondContact O-CA 3.39Å; E577-S580 WeakPolarHBondContact O-CB 3.31Å; E577-S580 PolarHBondContact O-N 2.85Å; E577-S581 PolarHBondContact O-N 3.5Å; E577-I632 HydrophobicContact CG-CG2 4.08Å |
| 578 | C | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.4 | -45.1 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | Y531 P574 L575 S580 S581 M582 | Y531-C578 WeakPolarHBondContact O-CB 3.39Å; Y531-C578 PolarHBondContact O-SG 3.25Å; Y531-C578 VanDerWaalsContact O-SG 3.35Å; P574-C578 WeakPolarHBondContact O-CB 3.19Å; P574-C578 PolarHBondContact O-N 2.9Å; L575-C578 PolarHBondContact O-N 3.24Å; C578-S580 PolarHBondContact O-N 3.32Å; C578-S581 PolarHBondContact O-N 3.24Å; C578-M582 WeakPolarHBondContact O-CB 3.42Å; C578-M582 WeakPolarHBondContact O-CG 3.44Å; C578-M582 PolarHBondContact O-N 3.3Å |
| 579 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.1 | -23.8 | 177.5 | -73.5 | 176.3 | 0 | 0 | 0 | 113 | M555 F559 W562 L575 L576 E577 A583 F590 V597 L636 | M555-L579 HydrophobicContact CE-CD2 4.05Å; F559-L579 HydrophobicContact CE2-CD2 4.36Å; W562-L579 HydrophobicContact CD2-CD1 4.15Å; W562-L579 HydrophobicContact CE3-CD1 3.5Å; W562-L579 HydrophobicContact CH2-CD1 4.41Å; W562-L579 HydrophobicContact CZ3-CD1 3.68Å; L575-L579 HydrophobicContact CD1-CG 4.37Å; L575-L579 HydrophobicContact CG-CD1 4.34Å; L575-L579 WeakPolarHBondContact O-CB 3.49Å; L575-L579 VanDerWaalsContact O-CG 3.27Å; L575-L579 WeakPolarHBondContact O-CG 3.37Å; L575-L579 PolarHBondContact O-N 2.98Å; L576-L579 PolarHBondContact O-N 3.24Å; E577-L579 VanDerWaalsContact C-N 3.31Å; E577-L579 PolarHBondContact O-N 3.05Å; L579-A583 WeakPolarHBondContact O-CB 3.12Å; L579-A583 PolarHBondContact O-N 3.01Å; L579-F590 HydrophobicContact CD2-CE2 4.26Å; L579-F590 HydrophobicContact CD2-CZ 4.24Å; L579-V597 HydrophobicContact CD1-CG2 4.44Å; L579-L636 VanDerWaalsContact C-CD1 3.41Å; L579-L636 HydrophobicContact CB-CD1 3.9Å; L579-L636 HydrophobicContact CB-CD2 4.07Å; L579-L636 WeakPolarHBondContact O-CD1 3.12Å |
| 580 | S | 98.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 20.6 Ų | 20.6 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.1 | -53.5 | 178 | -165.6 | 0 | 0 | 0 | 0 | 110.2 | L576 E577 C578 M582 A583 T584 D635 L636 | L576-S580 PolarHBondContact O-N 2.91Å; E577-S580 WeakPolarHBondContact O-CA 3.39Å; E577-S580 WeakPolarHBondContact O-CB 3.31Å; E577-S580 PolarHBondContact O-N 2.85Å; C578-S580 PolarHBondContact O-N 3.32Å; S580-M582 VanDerWaalsContact C-N 3.25Å; S580-M582 PolarHBondContact O-N 3.06Å; S580-A583 WeakPolarHBondContact O-CB 3.26Å; S580-A583 PolarHBondContact O-N 3.27Å; S580-A583 VanDerWaalsContact O-N 3.11Å; S580-T584 PolarHBondContact O-N 3.36Å; S580-T584 VanDerWaalsContact O-N 3.14Å; S580-D635 PolarHBondContact OG-O 3.26Å; S580-L636 VanDerWaalsContact CA-CD1 3.42Å; S580-L636 VanDerWaalsContact N-CD1 3.34Å |
| 581 | S | 98.3 | Very high | 97 | Very high | 19 Ų | 19 | 20 Ų | 20 | 13% | 0.133 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.3 | -40.7 | 173.2 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | G535 D539 E577 C578 T584 A585 | G535-S581 WeakPolarHBondContact O-CB 3.32Å; D539-S581 VanDerWaalsContact OD1-CB 3.25Å; D539-S581 WeakPolarHBondContact OD1-CB 3.5Å; D539-S581 PolarHBondContact OD1-OG 3.11Å; D539-S581 WeakPolarHBondContact OD2-CB 3.32Å; D539-S581 PolarHBondContact OD2-OG 3.43Å; E577-S581 PolarHBondContact O-N 3.5Å; C578-S581 PolarHBondContact O-N 3.24Å; S581-T584 PolarHBondContact O-N 2.9Å; S581-A585 VanDerWaalsContact O-CB 3.31Å; S581-A585 WeakPolarHBondContact O-CB 3.45Å; S581-A585 PolarHBondContact O-N 3.24Å |
| 582 | M | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.1 | -74 | -59.4 | -59.6 | 0 | 0 | 113.3 | I534 A538 L545 L554 M555 L558 C578 S580 A585 L586 F590 | I534-M582 HydrophobicContact CG2-SD 4.15Å; A538-M582 HydrophobicContact CB-CG 4.43Å; A538-M582 HydrophobicContact CB-SD 3.66Å; L545-M582 HydrophobicContact CD2-CE 3.74Å; L545-M582 HydrophobicContact CD2-SD 3.69Å; L554-M582 HydrophobicContact CD2-CE 3.28Å; L554-M582 HydrophobicContact CD2-SD 3.72Å; L554-M582 HydrophobicContact CG-CE 4.12Å; M555-M582 HydrophobicContact SD-CE 3.62Å; L558-M582 HydrophobicContact CD1-CG 4.45Å; C578-M582 WeakPolarHBondContact O-CB 3.42Å; C578-M582 WeakPolarHBondContact O-CG 3.44Å; C578-M582 PolarHBondContact O-N 3.3Å; S580-M582 VanDerWaalsContact C-N 3.25Å; S580-M582 PolarHBondContact O-N 3.06Å; M582-A585 PolarHBondContact O-N 3.42Å; M582-L586 HydrophobicContact CE-CD1 3.5Å; M582-L586 VanDerWaalsContact CE-CD1 3.5Å; M582-L586 HydrophobicContact CE-CD2 4.13Å; M582-L586 HydrophobicContact CE-CG 3.75Å; M582-L586 VanDerWaalsContact O-CB 3.23Å; M582-L586 WeakPolarHBondContact O-CB 3.43Å; M582-L586 VanDerWaalsContact O-CG 3.25Å; M582-L586 WeakPolarHBondContact O-CG 3.44Å; M582-L586 PolarHBondContact O-N 3.44Å; M582-F590 HydrophobicContact CB-CE2 4.28Å |
| 583 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L579 S580 G587 F590 L640 | L579-A583 WeakPolarHBondContact O-CB 3.12Å; L579-A583 PolarHBondContact O-N 3.01Å; S580-A583 WeakPolarHBondContact O-CB 3.26Å; S580-A583 PolarHBondContact O-N 3.27Å; S580-A583 VanDerWaalsContact O-N 3.11Å; A583-G587 PolarHBondContact O-N 3.42Å; A583-F590 HydrophobicContact CB-CD2 4.29Å; A583-F590 HydrophobicContact CB-CE2 4.36Å; A583-F590 HydrophobicContact CB-CG 4.38Å; A583-L640 HydrophobicContact CB-CD2 3.82Å; A583-L640 HydrophobicContact CB-CG 4.4Å |
| 584 | T | 98.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 28% | 0.276 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 111.5 | S580 S581 G639 E642 | S580-T584 PolarHBondContact O-N 3.36Å; S580-T584 VanDerWaalsContact O-N 3.14Å; S581-T584 PolarHBondContact O-N 2.9Å; T584-G639 PolarHBondContact OG1-O 3.11Å; T584-E642 HydrophobicContact CG2-CG 4.13Å; T584-E642 PolarHBondContact OG1-OE2 2.91Å |
| 585 | A | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A538 G542 H543 S581 M582 | A538-A585 HydrophobicContact CB-CB 3.79Å; A538-A585 WeakPolarHBondContact O-CB 3.37Å; G542-A585 CarbonylContact C-O 3.56Å; H543-A585 WeakPolarHBondContact CA-O 3.35Å; S581-A585 VanDerWaalsContact O-CB 3.31Å; S581-A585 WeakPolarHBondContact O-CB 3.45Å; S581-A585 PolarHBondContact O-N 3.24Å; M582-A585 PolarHBondContact O-N 3.42Å |
| 586 | L | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.1 | -24.5 | -179 | -64.5 | -171.3 | 0 | 0 | 0 | 113 | L545 N546 I551 M555 M582 T588 G589 F590 | L545-L586 HydrophobicContact CB-CD2 3.99Å; L545-L586 HydrophobicContact CD2-CD2 4.06Å; L545-L586 HydrophobicContact CG-CD2 3.77Å; L545-L586 WeakPolarHBondContact O-CD2 3.46Å; N546-L586 WeakPolarHBondContact CB-O 3.26Å; N546-L586 PolarHBondContact ND2-O 3.17Å; N546-L586 PolarHBondContact OD1-O 3.11Å; I551-L586 HydrophobicContact CD1-CD2 4.36Å; I551-L586 HydrophobicContact CG1-CD1 4.04Å; I551-L586 HydrophobicContact CG1-CD2 3.81Å; I551-L586 HydrophobicContact CG1-CG 4.49Å; M555-L586 HydrophobicContact CG-CD1 3.82Å; M555-L586 HydrophobicContact SD-CD1 3.69Å; M582-L586 HydrophobicContact CE-CD1 3.5Å; M582-L586 VanDerWaalsContact CE-CD1 3.5Å; M582-L586 HydrophobicContact CE-CD2 4.13Å; M582-L586 HydrophobicContact CE-CG 3.75Å; M582-L586 VanDerWaalsContact O-CB 3.23Å; M582-L586 WeakPolarHBondContact O-CB 3.43Å; M582-L586 VanDerWaalsContact O-CG 3.25Å; M582-L586 WeakPolarHBondContact O-CG 3.44Å; M582-L586 PolarHBondContact O-N 3.44Å; L586-T588 PolarHBondContact O-N 3.38Å; L586-G589 PolarHBondContact O-N 3.14Å; L586-F590 HydrophobicContact CB-CB 4.21Å; L586-F590 HydrophobicContact CD1-CD2 4.1Å |
| 587 | G | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | 46.6 | -124 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A583 G589 F590 G643 L644 | A583-G587 PolarHBondContact O-N 3.42Å; G587-G589 PolarHBondContact O-N 2.97Å; G587-F590 VanDerWaalsContact O-CB 3.28Å; G587-F590 WeakPolarHBondContact O-CB 3.29Å; G587-F590 PolarHBondContact O-N 3.46Å; G587-G643 CarbonylContact C-O 3.3Å; G587-G643 WeakPolarHBondContact CA-O 3.27Å; G587-L644 WeakPolarHBondContact O-CD2 3.3Å |
| 588 | T | 97.3 | Very high | 98 | Very high | 82 Ų | 82 | 25.5 Ų | 25.5 | 50% | 0.503 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -57.2 | -21 | 178.1 | 56.4 | 0 | 0 | 0 | 0 | 115 | L586 F590 L591 | L586-T588 PolarHBondContact O-N 3.38Å; T588-F590 PolarHBondContact O-N 2.76Å; T588-L591 WeakPolarHBondContact O-CB 3.46Å; T588-L591 WeakPolarHBondContact O-CD1 3.49Å; T588-L591 VanDerWaalsContact O-CG 3.26Å; T588-L591 WeakPolarHBondContact O-CG 3.49Å; T588-L591 PolarHBondContact O-N 2.79Å |
| 589 | G | 97.9 | Very high | 98 | Very high | 12 Ų | 12 | 28.3 Ų | 28.3 | 12% | 0.124 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -62.7 | -22.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | N546 L586 G587 L591 P592 | N546-G589 WeakPolarHBondContact OD1-CA 3.46Å; L586-G589 PolarHBondContact O-N 3.14Å; G587-G589 PolarHBondContact O-N 2.97Å; G589-L591 VanDerWaalsContact C-N 3.34Å; G589-P592 WeakPolarHBondContact O-CD 3.26Å |
| 590 | F | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -81 | -8.9 | 177.7 | -156 | -87.8 | 0 | 0 | 0 | 113.5 | M555 L579 M582 A583 L586 G587 T588 P592 Y593 C594 V597 L640 L644 | M555-F590 HydrophobicContact CE-CD2 3.92Å; M555-F590 HydrophobicContact CE-CE2 3.35Å; M555-F590 HydrophobicContact CE-CZ 3.98Å; M555-F590 HydrophobicContact SD-CD2 4.47Å; M555-F590 HydrophobicContact SD-CE2 4.24Å; L579-F590 HydrophobicContact CD2-CE2 4.26Å; L579-F590 HydrophobicContact CD2-CZ 4.24Å; M582-F590 HydrophobicContact CB-CE2 4.28Å; A583-F590 HydrophobicContact CB-CD2 4.29Å; A583-F590 HydrophobicContact CB-CE2 4.36Å; A583-F590 HydrophobicContact CB-CG 4.38Å; L586-F590 HydrophobicContact CB-CB 4.21Å; L586-F590 HydrophobicContact CD1-CD2 4.1Å; G587-F590 VanDerWaalsContact O-CB 3.28Å; G587-F590 WeakPolarHBondContact O-CB 3.29Å; G587-F590 PolarHBondContact O-N 3.46Å; T588-F590 PolarHBondContact O-N 2.76Å; F590-P592 VanDerWaalsContact C-N 3.35Å; F590-P592 VanDerWaalsContact O-N 3.16Å; F590-Y593 WeakPolarHBondContact O-CA 3.34Å; F590-Y593 WeakPolarHBondContact O-CB 3.23Å; F590-Y593 PolarHBondContact O-N 3.22Å; F590-C594 HydrophobicContact CD1-CB 4.05Å; F590-C594 HydrophobicContact CE1-CB 4.47Å; F590-C594 PolarHBondContact O-N 3.39Å; F590-C594 VanDerWaalsContact O-N 3.15Å; F590-V597 HydrophobicContact CE1-CB 4.48Å; F590-V597 HydrophobicContact CE1-CG2 4.21Å; F590-V597 HydrophobicContact CZ-CG2 4.23Å; F590-L640 HydrophobicContact CD1-CD2 3.72Å; F590-L640 HydrophobicContact CE1-CD2 3.6Å; F590-L640 HydrophobicContact CZ-CD2 4.48Å; F590-L644 HydrophobicContact CB-CD2 4.45Å; F590-L644 HydrophobicContact CD1-CD1 4.44Å |
| 591 | L | 97.6 | Very high | 98.1 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 36% | 0.356 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -50.2 | -40.9 | -176.6 | -78.6 | 171 | 0 | 0 | 0 | 115.4 | T588 G589 Y593 C594 L644 Q647 | T588-L591 WeakPolarHBondContact O-CB 3.46Å; T588-L591 WeakPolarHBondContact O-CD1 3.49Å; T588-L591 VanDerWaalsContact O-CG 3.26Å; T588-L591 WeakPolarHBondContact O-CG 3.49Å; T588-L591 PolarHBondContact O-N 2.79Å; G589-L591 VanDerWaalsContact C-N 3.34Å; L591-Y593 PolarHBondContact O-N 2.98Å; L591-Y593 VanDerWaalsContact O-N 3.11Å; L591-C594 PolarHBondContact O-N 3.26Å; L591-C594 PolarHBondContact O-SG 3.38Å; L591-L644 HydrophobicContact CD2-CD2 3.7Å; L591-L644 HydrophobicContact CG-CD2 3.72Å; L591-Q647 HydrophobicContact CD2-CB 3.89Å; L591-Q647 HydrophobicContact CD2-CG 4.42Å |
| 592 | P | 97.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 28 Ų | 28 | 66% | 0.662 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62.8 | -18.6 | 178.3 | -23.1 | 35.5 | 0 | 0 | 0 | 114 | G589 F590 | G589-P592 WeakPolarHBondContact O-CD 3.26Å; F590-P592 VanDerWaalsContact C-N 3.35Å; F590-P592 VanDerWaalsContact O-N 3.16Å |
| 593 | Y | 98 | Very high | 98.1 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -110 | -15.4 | -170.2 | -59.6 | -71.6 | 0 | 0 | 0 | 112.8 | I551 M555 F559 F590 L591 A595 P596 V597 | I551-Y593 HydrophobicContact CG2-CE2 3.84Å; M555-Y593 HydrophobicContact CB-CD1 4.38Å; M555-Y593 HydrophobicContact CB-CD2 4.13Å; M555-Y593 HydrophobicContact CB-CE1 3.78Å; M555-Y593 HydrophobicContact CB-CE2 3.51Å; M555-Y593 WeakPolarHBondContact CB-OH 3.46Å; M555-Y593 HydrophobicContact CE-CD1 4.33Å; M555-Y593 HydrophobicContact CE-CD2 4.05Å; M555-Y593 HydrophobicContact CE-CG 3.94Å; M555-Y593 HydrophobicContact CG-CD2 4.11Å; M555-Y593 HydrophobicContact CG-CE2 3.74Å; F559-Y593 HydrophobicContact CD1-CD1 4.11Å; F559-Y593 AromaticContact CD2-CD1 3.61Å; F559-Y593 HydrophobicContact CD2-CD1 3.61Å; F559-Y593 HydrophobicContact CD2-CE1 4.17Å; F559-Y593 HydrophobicContact CD2-CG 4.32Å; F559-Y593 AromaticContact CE1-CD1 3.96Å; F559-Y593 HydrophobicContact CE1-CD1 3.96Å; F559-Y593 AromaticContact CE2-CD1 3.47Å; F559-Y593 HydrophobicContact CE2-CD1 3.47Å; F559-Y593 VanDerWaalsContact CE2-CD1 3.47Å; F559-Y593 HydrophobicContact CE2-CE1 4.43Å; F559-Y593 AromaticContact CE2-CG 3.78Å; F559-Y593 HydrophobicContact CE2-CG 3.78Å; F559-Y593 AromaticContact CG-CD1 3.93Å; F559-Y593 HydrophobicContact CG-CD1 3.93Å; F559-Y593 HydrophobicContact CG-CE1 4.35Å; F559-Y593 VanDerWaalsContact CZ-CB 3.44Å; F559-Y593 AromaticContact CZ-CD1 3.65Å; F559-Y593 HydrophobicContact CZ-CD1 3.65Å; F559-Y593 AromaticContact CZ-CG 3.95Å; F559-Y593 HydrophobicContact CZ-CG 3.95Å; F590-Y593 WeakPolarHBondContact O-CA 3.34Å; F590-Y593 WeakPolarHBondContact O-CB 3.23Å; F590-Y593 PolarHBondContact O-N 3.22Å; L591-Y593 PolarHBondContact O-N 2.98Å; L591-Y593 VanDerWaalsContact O-N 3.11Å; Y593-A595 PolarHBondContact O-N 3.02Å; Y593-P596 WeakPolarHBondContact O-CD 3.13Å; Y593-P596 WeakPolarHBondContact O-CG 3.43Å; Y593-V597 WeakPolarHBondContact O-CG2 3.41Å |
| 594 | C | 97.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | -168.6 | 70.4 | 0 | 0 | 0 | 0 | 114.3 | F590 L591 V597 F598 L640 L644 M648 | F590-C594 HydrophobicContact CD1-CB 4.05Å; F590-C594 HydrophobicContact CE1-CB 4.47Å; F590-C594 PolarHBondContact O-N 3.39Å; F590-C594 VanDerWaalsContact O-N 3.15Å; L591-C594 PolarHBondContact O-N 3.26Å; L591-C594 PolarHBondContact O-SG 3.38Å; C594-V597 PolarHBondContact O-N 2.82Å; C594-F598 WeakPolarHBondContact O-CB 3.33Å; C594-F598 PolarHBondContact O-N 3.4Å; C594-L640 HydrophobicContact CB-CD2 4.27Å; C594-L644 HydrophobicContact CB-CD1 3.61Å; C594-M648 HydrophobicContact CB-SD 4.34Å |
| 595 | A | 97.9 | Very high | 98.1 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 40% | 0.397 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.8 | -51.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y593 V597 S599 L651 | Y593-A595 PolarHBondContact O-N 3.02Å; A595-V597 VanDerWaalsContact C-N 3.33Å; A595-V597 PolarHBondContact O-N 2.8Å; A595-S599 WeakPolarHBondContact O-CB 3.23Å; A595-S599 PolarHBondContact O-N 2.87Å; A595-L651 HydrophobicContact CB-CD1 4.42Å; A595-L651 HydrophobicContact CB-CD2 4.12Å |
| 596 | P | 97.8 | Very high | 98.1 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 176.7 | 24.1 | -34.1 | 0 | 0 | 0 | 112.8 | F559 Y593 R600 | F559-P596 HydrophobicContact CE1-CG 3.91Å; Y593-P596 WeakPolarHBondContact O-CD 3.13Å; Y593-P596 WeakPolarHBondContact O-CG 3.43Å; P596-R600 WeakPolarHBondContact O-CB 3.45Å; P596-R600 PolarHBondContact O-N 2.75Å; P596-R600 VanDerWaalsContact O-N 3.1Å |
| 597 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -52.8 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | F559 W562 L579 F590 Y593 C594 A595 S599 R600 C601 L636 L640 | F559-V597 HydrophobicContact CE1-CG2 4.3Å; F559-V597 HydrophobicContact CE2-CG2 4.33Å; F559-V597 HydrophobicContact CZ-CG2 3.54Å; W562-V597 HydrophobicContact CH2-CG1 4.45Å; W562-V597 HydrophobicContact CZ2-CB 4.44Å; W562-V597 HydrophobicContact CZ2-CG2 4.15Å; L579-V597 HydrophobicContact CD1-CG2 4.44Å; F590-V597 HydrophobicContact CE1-CB 4.48Å; F590-V597 HydrophobicContact CE1-CG2 4.21Å; F590-V597 HydrophobicContact CZ-CG2 4.23Å; Y593-V597 WeakPolarHBondContact O-CG2 3.41Å; C594-V597 PolarHBondContact O-N 2.82Å; A595-V597 VanDerWaalsContact C-N 3.33Å; A595-V597 PolarHBondContact O-N 2.8Å; V597-S599 VanDerWaalsContact C-N 3.34Å; V597-S599 PolarHBondContact O-N 3.27Å; V597-R600 PolarHBondContact O-N 3.07Å; V597-R600 VanDerWaalsContact O-N 3.15Å; V597-C601 PolarHBondContact O-N 3.03Å; V597-C601 PolarHBondContact O-SG 3.43Å; V597-C601 VanDerWaalsContact O-SG 3.42Å; V597-L636 HydrophobicContact CG1-CD1 4.25Å; V597-L636 HydrophobicContact CG1-CD2 3.43Å; V597-L636 VanDerWaalsContact CG1-CD2 3.43Å; V597-L636 HydrophobicContact CG1-CG 3.86Å; V597-L640 HydrophobicContact CG1-CD1 4.1Å |
| 598 | F | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.4 | -48.4 | 178 | -178.9 | -87.2 | 0 | 0 | 0 | 111.7 | C594 R600 C601 V602 L637 L640 M641 M648 L651 V652 L657 | C594-F598 WeakPolarHBondContact O-CB 3.33Å; C594-F598 PolarHBondContact O-N 3.4Å; F598-R600 VanDerWaalsContact C-N 3.3Å; F598-R600 PolarHBondContact O-N 3.35Å; F598-C601 PolarHBondContact O-N 3.02Å; F598-V602 HydrophobicContact CD1-CG2 4.09Å; F598-V602 HydrophobicContact CE1-CG2 3.71Å; F598-V602 HydrophobicContact CE2-CG2 4.47Å; F598-V602 HydrophobicContact CZ-CG2 3.93Å; F598-V602 WeakPolarHBondContact O-CG2 3.15Å; F598-V602 PolarHBondContact O-N 3.01Å; F598-L637 HydrophobicContact CD2-CD2 3.4Å; F598-L637 VanDerWaalsContact CD2-CD2 3.4Å; F598-L637 HydrophobicContact CE2-CD2 3.79Å; F598-L637 HydrophobicContact CG-CD2 4.12Å; F598-L640 HydrophobicContact CB-CD1 4.12Å; F598-L640 HydrophobicContact CD2-CD1 4.37Å; F598-M641 HydrophobicContact CD2-CE 4.37Å; F598-M641 HydrophobicContact CE2-CE 4.09Å; F598-M648 HydrophobicContact CB-CE 4.3Å; F598-M648 HydrophobicContact CD2-CE 3.44Å; F598-M648 VanDerWaalsContact CD2-CE 3.44Å; F598-M648 HydrophobicContact CE2-CE 4.06Å; F598-M648 HydrophobicContact CG-CE 4.12Å; F598-L651 HydrophobicContact CB-CD1 4.04Å; F598-L651 HydrophobicContact CD1-CB 3.86Å; F598-L651 HydrophobicContact CD1-CD1 4.45Å; F598-L651 HydrophobicContact CD2-CB 4.34Å; F598-L651 HydrophobicContact CE1-CB 3.86Å; F598-L651 HydrophobicContact CE2-CB 4.34Å; F598-L651 HydrophobicContact CG-CB 4.1Å; F598-L651 HydrophobicContact CG-CD1 4.12Å; F598-L651 HydrophobicContact CZ-CB 4.12Å; F598-V652 HydrophobicContact CE2-CG2 4.28Å; F598-V652 HydrophobicContact CZ-CG2 4.36Å; F598-L657 HydrophobicContact CE2-CD2 3.71Å; F598-L657 HydrophobicContact CZ-CB 4.34Å; F598-L657 HydrophobicContact CZ-CD2 3.8Å |
| 599 | S | 98.4 | Very high | 98.1 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 44% | 0.441 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | -180 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | A595 V597 N603 | A595-S599 WeakPolarHBondContact O-CB 3.23Å; A595-S599 PolarHBondContact O-N 2.87Å; V597-S599 VanDerWaalsContact C-N 3.34Å; V597-S599 PolarHBondContact O-N 3.27Å; S599-N603 WeakPolarHBondContact O-CB 3.19Å; S599-N603 PolarHBondContact O-N 2.9Å; S599-N603 VanDerWaalsContact O-N 3.11Å; S599-N603 PolarHBondContact O-ND2 2.75Å |
| 600 | R | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -46.7 | 179.2 | -162.5 | -177.6 | -169.7 | 166.2 | 0.4 | 111.4 | W562 L565 D567 P596 V597 F598 V602 N603 L604 | W562-R600 HydrophobicContact CH2-CB 4.16Å; W562-R600 VanDerWaalsContact CH2-CD 3.42Å; W562-R600 HydrophobicContact CH2-CG 4.29Å; W562-R600 HydrophobicContact CZ2-CB 3.65Å; W562-R600 HydrophobicContact CZ2-CG 3.96Å; W562-R600 PolarHBondContact O-NH1 2.95Å; L565-R600 PolarHBondContact O-NH2 3.3Å; D567-R600 IonicContact OD1-CZ 2.77Å; D567-R600 IonicContact OD1-NE 3.75Å; D567-R600 PolarHBondContact OD1-NE 3.47Å; D567-R600 IonicContact OD1-NH2 2.67Å; D567-R600 PolarHBondContact OD1-NH2 3.31Å; P596-R600 WeakPolarHBondContact O-CB 3.45Å; P596-R600 PolarHBondContact O-N 2.75Å; P596-R600 VanDerWaalsContact O-N 3.1Å; V597-R600 PolarHBondContact O-N 3.07Å; V597-R600 VanDerWaalsContact O-N 3.15Å; F598-R600 VanDerWaalsContact C-N 3.3Å; F598-R600 PolarHBondContact O-N 3.35Å; R600-V602 VanDerWaalsContact C-N 3.35Å; R600-V602 PolarHBondContact O-N 3.37Å; R600-N603 PolarHBondContact O-N 3.3Å; R600-N603 VanDerWaalsContact O-N 3.16Å; R600-L604 HydrophobicContact CG-CD1 4.38Å; R600-L604 WeakPolarHBondContact O-CG 3.47Å; R600-L604 PolarHBondContact O-N 2.64Å |
| 601 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | V597 F598 N603 L604 I605 L637 | V597-C601 PolarHBondContact O-N 3.03Å; V597-C601 PolarHBondContact O-SG 3.43Å; V597-C601 VanDerWaalsContact O-SG 3.42Å; F598-C601 PolarHBondContact O-N 3.02Å; C601-N603 VanDerWaalsContact C-N 3.31Å; C601-N603 PolarHBondContact O-N 2.85Å; C601-L604 PolarHBondContact O-N 2.9Å; C601-I605 WeakPolarHBondContact O-CD1 3.47Å; C601-I605 VanDerWaalsContact O-CG1 3.25Å; C601-I605 WeakPolarHBondContact O-CG1 3.39Å; C601-I605 PolarHBondContact O-N 3.39Å; C601-L637 HydrophobicContact CB-CD1 4.04Å; C601-L637 HydrophobicContact CB-CD2 3.86Å; C601-L637 HydrophobicContact CB-CG 3.71Å |
| 602 | V | 98.7 | Very high | 98 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | F598 R600 I605 D606 L637 P656 L657 L660 | F598-V602 HydrophobicContact CD1-CG2 4.09Å; F598-V602 HydrophobicContact CE1-CG2 3.71Å; F598-V602 HydrophobicContact CE2-CG2 4.47Å; F598-V602 HydrophobicContact CZ-CG2 3.93Å; F598-V602 WeakPolarHBondContact O-CG2 3.15Å; F598-V602 PolarHBondContact O-N 3.01Å; R600-V602 VanDerWaalsContact C-N 3.35Å; R600-V602 PolarHBondContact O-N 3.37Å; V602-I605 PolarHBondContact O-N 3.17Å; V602-D606 PolarHBondContact O-N 3.35Å; V602-L637 HydrophobicContact CG2-CD1 4.36Å; V602-P656 HydrophobicContact CG1-CG 3.88Å; V602-L657 HydrophobicContact CG2-CB 4.33Å; V602-L657 HydrophobicContact CG2-CD1 4.32Å; V602-L660 HydrophobicContact CG1-CD1 3.94Å |
| 603 | N | 98.4 | Very high | 97.9 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 47% | 0.465 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 177.7 | -71.4 | -19.8 | 0 | 0 | 0 | 112.5 | S599 R600 C601 D606 R607 | S599-N603 WeakPolarHBondContact O-CB 3.19Å; S599-N603 PolarHBondContact O-N 2.9Å; S599-N603 VanDerWaalsContact O-N 3.11Å; S599-N603 PolarHBondContact O-ND2 2.75Å; R600-N603 PolarHBondContact O-N 3.3Å; R600-N603 VanDerWaalsContact O-N 3.16Å; C601-N603 VanDerWaalsContact C-N 3.31Å; C601-N603 PolarHBondContact O-N 2.85Å; N603-D606 PolarHBondContact O-N 3.1Å; N603-R607 VanDerWaalsContact O-CB 3.25Å; N603-R607 WeakPolarHBondContact O-CB 3.4Å; N603-R607 PolarHBondContact O-N 3.33Å |
| 604 | L | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.8 | -71.6 | 172.5 | 0 | 0 | 0 | 110.9 | D567 L572 R600 C601 R607 T608 F629 S633 | D567-L604 HydrophobicContact CB-CD2 3.8Å; L572-L604 HydrophobicContact CD2-CD1 3.86Å; R600-L604 HydrophobicContact CG-CD1 4.38Å; R600-L604 WeakPolarHBondContact O-CG 3.47Å; R600-L604 PolarHBondContact O-N 2.64Å; C601-L604 PolarHBondContact O-N 2.9Å; L604-R607 PolarHBondContact O-N 3.18Å; L604-T608 WeakPolarHBondContact O-CB 3.47Å; L604-T608 PolarHBondContact O-N 3.35Å; L604-T608 PolarHBondContact O-OG1 3.1Å; L604-F629 HydrophobicContact CD2-CD1 4.04Å; L604-S633 WeakPolarHBondContact CB-OG 3.17Å; L604-S633 WeakPolarHBondContact CD1-OG 3.31Å |
| 605 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 176.5 | -64.7 | 162.9 | 0 | 0 | 0 | 110.9 | C601 V602 R607 T608 I609 M630 L634 L637 L660 | C601-I605 WeakPolarHBondContact O-CD1 3.47Å; C601-I605 VanDerWaalsContact O-CG1 3.25Å; C601-I605 WeakPolarHBondContact O-CG1 3.39Å; C601-I605 PolarHBondContact O-N 3.39Å; V602-I605 PolarHBondContact O-N 3.17Å; I605-R607 PolarHBondContact O-N 3.36Å; I605-T608 PolarHBondContact O-N 2.98Å; I605-I609 HydrophobicContact CG2-CD1 3.73Å; I605-I609 HydrophobicContact CG2-CG1 4.49Å; I605-I609 WeakPolarHBondContact O-CB 3.48Å; I605-I609 VanDerWaalsContact O-CG1 3.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.46Å; I605-I609 PolarHBondContact O-N 3.34Å; I605-M630 HydrophobicContact CB-CG 4.48Å; I605-M630 HydrophobicContact CG1-CG 4.16Å; I605-M630 HydrophobicContact CG2-CG 4.19Å; I605-M630 HydrophobicContact CG2-SD 4.25Å; I605-L634 HydrophobicContact CD1-CD2 3.73Å; I605-L634 HydrophobicContact CD1-CG 3.93Å; I605-L634 HydrophobicContact CG1-CD2 4.46Å; I605-L634 HydrophobicContact CG1-CG 4.3Å; I605-L637 HydrophobicContact CD1-CD1 3.52Å; I605-L660 HydrophobicContact CG2-CB 3.96Å; I605-L660 HydrophobicContact CG2-CD1 4.35Å |
| 606 | D | 98.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 178.9 | -174.3 | 41.4 | 0 | 0 | 0 | 111.1 | V602 N603 T608 I609 Q610 L660 | V602-D606 PolarHBondContact O-N 3.35Å; N603-D606 PolarHBondContact O-N 3.1Å; D606-T608 PolarHBondContact O-N 2.92Å; D606-I609 PolarHBondContact O-N 2.8Å; D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.36Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 PolarHBondContact OD1-NE2 2.77Å; D606-L660 HydrophobicContact CB-CD1 3.84Å; D606-L660 HydrophobicContact CB-CD2 3.98Å; D606-L660 WeakPolarHBondContact OD1-CD2 3.24Å |
| 607 | R | 97.6 | Very high | 97.4 | Very high | 120 Ų | 120 | 45.6 Ų | 45.6 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.7 | -48.6 | 178.6 | -178.5 | -178.1 | 177.2 | -168.7 | -1.8 | 111.6 | D567 N603 L604 I605 I609 Q610 L611 | D567-R607 PolarHBondContact O-NH1 3.23Å; N603-R607 VanDerWaalsContact O-CB 3.25Å; N603-R607 WeakPolarHBondContact O-CB 3.4Å; N603-R607 PolarHBondContact O-N 3.33Å; L604-R607 PolarHBondContact O-N 3.18Å; I605-R607 PolarHBondContact O-N 3.36Å; R607-I609 PolarHBondContact O-N 3.11Å; R607-Q610 PolarHBondContact O-N 3.19Å; R607-L611 HydrophobicContact CG-CD1 4Å; R607-L611 HydrophobicContact CG-CG 4.48Å; R607-L611 WeakPolarHBondContact O-CB 3.41Å; R607-L611 WeakPolarHBondContact O-CG 3.37Å; R607-L611 PolarHBondContact O-N 3.15Å |
| 608 | T | 97.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 179.6 | -62 | 0 | 0 | 0 | 0 | 111.6 | L604 I605 D606 L611 S612 P625 K627 M630 | L604-T608 WeakPolarHBondContact O-CB 3.47Å; L604-T608 PolarHBondContact O-N 3.35Å; L604-T608 PolarHBondContact O-OG1 3.1Å; I605-T608 PolarHBondContact O-N 2.98Å; D606-T608 PolarHBondContact O-N 2.92Å; T608-L611 PolarHBondContact O-N 2.88Å; T608-S612 WeakPolarHBondContact O-CB 3.4Å; T608-S612 PolarHBondContact O-N 2.65Å; T608-P625 HydrophobicContact CG2-CB 4.17Å; T608-P625 HydrophobicContact CG2-CG 4.26Å; T608-K627 HydrophobicContact CG2-CB 4.26Å; T608-K627 HydrophobicContact CG2-CD 4.47Å; T608-K627 HydrophobicContact CG2-CG 3.96Å; T608-M630 HydrophobicContact CG2-CB 3.8Å; T608-M630 HydrophobicContact CG2-CE 3.99Å; T608-M630 HydrophobicContact CG2-SD 4.4Å |
| 609 | I | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.051 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.5 | -70.4 | 170.8 | 0 | 0 | 0 | 111.3 | I605 D606 R607 S612 K613 M630 L660 E663 A664 | I605-I609 HydrophobicContact CG2-CD1 3.73Å; I605-I609 HydrophobicContact CG2-CG1 4.49Å; I605-I609 WeakPolarHBondContact O-CB 3.48Å; I605-I609 VanDerWaalsContact O-CG1 3.31Å; I605-I609 WeakPolarHBondContact O-CG1 3.46Å; I605-I609 PolarHBondContact O-N 3.34Å; D606-I609 PolarHBondContact O-N 2.8Å; R607-I609 PolarHBondContact O-N 3.11Å; I609-S612 PolarHBondContact O-N 3.37Å; I609-K613 HydrophobicContact CG2-CD 4.38Å; I609-K613 WeakPolarHBondContact O-CG 3.49Å; I609-K613 PolarHBondContact O-N 2.86Å; I609-K613 VanDerWaalsContact O-N 3.08Å; I609-M630 HydrophobicContact CD1-SD 4.15Å; I609-M630 HydrophobicContact CG1-SD 3.72Å; I609-L660 HydrophobicContact CD1-CB 4.26Å; I609-L660 HydrophobicContact CD1-CD2 4.14Å; I609-E663 HydrophobicContact CD1-CB 4.14Å; I609-E663 WeakPolarHBondContact CG2-OE2 3.27Å; I609-A664 HydrophobicContact CD1-CB 4.38Å |
| 610 | Q | 97.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 59.5 Ų | 59.5 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 178.4 | -62.7 | -48.6 | -33 | 0 | 0 | 111.7 | D606 R607 S612 K613 L614 | D606-Q610 VanDerWaalsContact O-CG 3.31Å; D606-Q610 WeakPolarHBondContact O-CG 3.36Å; D606-Q610 PolarHBondContact O-N 2.9Å; D606-Q610 PolarHBondContact OD1-NE2 2.77Å; R607-Q610 PolarHBondContact O-N 3.19Å; Q610-S612 VanDerWaalsContact C-N 3.31Å; Q610-S612 PolarHBondContact O-N 3.28Å; Q610-K613 PolarHBondContact O-N 3.01Å; Q610-L614 WeakPolarHBondContact O-CG 3.33Å; Q610-L614 PolarHBondContact O-N 2.95Å |
| 611 | L | 96.7 | Very high | 96.1 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.8 | -72.7 | 173.1 | 0 | 0 | 0 | 111.5 | R607 T608 K613 L614 H615 P625 | R607-L611 HydrophobicContact CG-CD1 4Å; R607-L611 HydrophobicContact CG-CG 4.48Å; R607-L611 WeakPolarHBondContact O-CB 3.41Å; R607-L611 WeakPolarHBondContact O-CG 3.37Å; R607-L611 PolarHBondContact O-N 3.15Å; T608-L611 PolarHBondContact O-N 2.88Å; L611-K613 VanDerWaalsContact C-N 3.33Å; L611-K613 PolarHBondContact O-N 3.33Å; L611-L614 PolarHBondContact O-N 3.29Å; L611-H615 WeakPolarHBondContact O-CB 3.26Å; L611-H615 PolarHBondContact O-N 3.23Å; L611-P625 HydrophobicContact CB-CB 3.73Å; L611-P625 HydrophobicContact CB-CG 3.98Å; L611-P625 HydrophobicContact CD1-CB 4.2Å |
| 612 | S | 96.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 67 Ų | 67 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 176 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | T608 I609 Q610 A616 | T608-S612 WeakPolarHBondContact O-CB 3.4Å; T608-S612 PolarHBondContact O-N 2.65Å; I609-S612 PolarHBondContact O-N 3.37Å; Q610-S612 VanDerWaalsContact C-N 3.31Å; Q610-S612 PolarHBondContact O-N 3.28Å; S612-A616 WeakPolarHBondContact O-CB 3.46Å; S612-A616 PolarHBondContact O-N 3.27Å |
| 613 | K | 96.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 74.8 Ų | 74.8 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.4 | -70.1 | 171.9 | -176 | 169.6 | 0 | 112.9 | I609 Q610 L611 A616 Q617 E663 | I609-K613 HydrophobicContact CG2-CD 4.38Å; I609-K613 WeakPolarHBondContact O-CG 3.49Å; I609-K613 PolarHBondContact O-N 2.86Å; I609-K613 VanDerWaalsContact O-N 3.08Å; Q610-K613 PolarHBondContact O-N 3.01Å; L611-K613 VanDerWaalsContact C-N 3.33Å; L611-K613 PolarHBondContact O-N 3.33Å; K613-A616 PolarHBondContact O-N 2.97Å; K613-Q617 WeakPolarHBondContact O-CB 3.41Å; K613-Q617 VanDerWaalsContact O-CG 3.26Å; K613-Q617 WeakPolarHBondContact O-CG 3.44Å; K613-Q617 PolarHBondContact O-N 3.45Å; K613-E663 WeakPolarHBondContact CE-OE2 3.29Å; K613-E663 IonicContact NZ-OE1 2.77Å; K613-E663 IonicContact NZ-OE2 2.75Å; K613-E663 PolarHBondContact NZ-OE2 2.65Å |
| 614 | L | 96.5 | Very high | 94.7 | Very high | 55 Ų | 55 | 74.8 Ų | 74.8 | 29% | 0.288 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.2 | -72.7 | 171.4 | 0 | 0 | 0 | 111 | Q610 L611 Q617 Q618 Y622 | Q610-L614 WeakPolarHBondContact O-CG 3.33Å; Q610-L614 PolarHBondContact O-N 2.95Å; L611-L614 PolarHBondContact O-N 3.29Å; L614-Q617 PolarHBondContact O-N 3.07Å; L614-Q618 PolarHBondContact O-N 3.14Å; L614-Y622 HydrophobicContact CB-CD1 4.07Å; L614-Y622 HydrophobicContact CB-CD2 3.78Å; L614-Y622 HydrophobicContact CB-CE1 4.28Å; L614-Y622 HydrophobicContact CB-CE2 3.99Å; L614-Y622 HydrophobicContact CB-CG 3.82Å; L614-Y622 HydrophobicContact CD1-CD1 4.28Å; L614-Y622 HydrophobicContact CD1-CE1 3.85Å; L614-Y622 HydrophobicContact CD2-CE2 4.18Å; L614-Y622 HydrophobicContact CG-CE2 4.48Å |
| 615 | H | 95.3 | Very high | 94.5 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 25% | 0.245 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.3 | 175.5 | 66.8 | 0 | 0 | 0 | 111.8 | L611 Q617 Q618 P619 Y622 | L611-H615 WeakPolarHBondContact O-CB 3.26Å; L611-H615 PolarHBondContact O-N 3.23Å; H615-Q617 PolarHBondContact O-N 3.11Å; H615-Q618 CarbonylContact O-C 3.03Å; H615-Q618 PolarHBondContact O-N 3.45Å; H615-P619 WeakPolarHBondContact O-CA 3.47Å; H615-P619 WeakPolarHBondContact O-CB 3.06Å; H615-P619 VanDerWaalsContact O-CD 3.26Å; H615-P619 WeakPolarHBondContact O-CD 3.4Å; H615-Y622 PolarHBondContact ND1-O 3.37Å |
| 616 | A | 93.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 78 Ų | 78 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.8 | -30.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S612 K613 | S612-A616 WeakPolarHBondContact O-CB 3.46Å; S612-A616 PolarHBondContact O-N 3.27Å; K613-A616 PolarHBondContact O-N 2.97Å |
| 617 | Q | 95.3 | Very high | 94.1 | Very high | 145 Ų | 145 | 76.2 Ų | 76.2 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -85.5 | -35 | 177.9 | -70.2 | 171.8 | 24.6 | 0 | 0 | 113 | K613 L614 H615 | K613-Q617 WeakPolarHBondContact O-CB 3.41Å; K613-Q617 VanDerWaalsContact O-CG 3.26Å; K613-Q617 WeakPolarHBondContact O-CG 3.44Å; K613-Q617 PolarHBondContact O-N 3.45Å; L614-Q617 PolarHBondContact O-N 3.07Å; H615-Q617 PolarHBondContact O-N 3.11Å |
| 618 | Q | 93.5 | Very high | 94 | Very high | 98 Ų | 98 | 72.4 Ų | 72.4 | 46% | 0.458 | 38% | 0.38 | S | S | . | . | trans | -141.5 | 68.8 | -173 | -64.6 | -174.4 | -21.3 | 0 | 0 | 110.7 | L614 H615 E620 V621 Y622 | L614-Q618 PolarHBondContact O-N 3.14Å; H615-Q618 CarbonylContact O-C 3.03Å; H615-Q618 PolarHBondContact O-N 3.45Å; Q618-E620 PolarHBondContact O-N 2.88Å; Q618-E620 VanDerWaalsContact O-N 3.16Å; Q618-V621 HydrophobicContact CB-CB 4.21Å; Q618-V621 HydrophobicContact CB-CG2 4.36Å; Q618-V621 PolarHBondContact O-N 3.21Å; Q618-Y622 HydrophobicContact CB-CD2 4.02Å; Q618-Y622 HydrophobicContact CB-CE2 4.34Å; Q618-Y622 PolarHBondContact O-N 3.4Å; Q618-Y622 VanDerWaalsContact O-N 3.09Å | ||
| 619 | P | 90.1 | Very high | 94 | Very high | 75 Ų | 75 | 73 Ų | 73 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.2 | -174.2 | 25.8 | -34.8 | 0 | 0 | 0 | 113.4 | H615 V621 | H615-P619 WeakPolarHBondContact O-CA 3.47Å; H615-P619 WeakPolarHBondContact O-CB 3.06Å; H615-P619 VanDerWaalsContact O-CD 3.26Å; H615-P619 WeakPolarHBondContact O-CD 3.4Å; P619-V621 VanDerWaalsContact C-N 3.32Å |
| 620 | E | 90.8 | Very high | 93.9 | Very high | 188 Ų | 188 | 72.6 Ų | 72.6 | 88% | 0.879 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.7 | 176.1 | -53.9 | -69 | 167.1 | 0 | 0 | 113.2 | Q618 | Q618-E620 PolarHBondContact O-N 2.88Å; Q618-E620 VanDerWaalsContact O-N 3.16Å |
| 621 | V | 89.9 | Confident | 93.9 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 62% | 0.624 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | -37.2 | -174.6 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | Q618 P619 | Q618-V621 HydrophobicContact CB-CB 4.21Å; Q618-V621 HydrophobicContact CB-CG2 4.36Å; Q618-V621 PolarHBondContact O-N 3.21Å; P619-V621 VanDerWaalsContact C-N 3.32Å |
| 622 | Y | 88 | Confident | 94 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -113.8 | 129.8 | -178.4 | -63.4 | -85.9 | 0 | 0 | 0 | 109.9 | L614 H615 Q618 | L614-Y622 HydrophobicContact CB-CD1 4.07Å; L614-Y622 HydrophobicContact CB-CD2 3.78Å; L614-Y622 HydrophobicContact CB-CE1 4.28Å; L614-Y622 HydrophobicContact CB-CE2 3.99Å; L614-Y622 HydrophobicContact CB-CG 3.82Å; L614-Y622 HydrophobicContact CD1-CD1 4.28Å; L614-Y622 HydrophobicContact CD1-CE1 3.85Å; L614-Y622 HydrophobicContact CD2-CE2 4.18Å; L614-Y622 HydrophobicContact CG-CE2 4.48Å; H615-Y622 PolarHBondContact ND1-O 3.37Å; Q618-Y622 HydrophobicContact CB-CD2 4.02Å; Q618-Y622 HydrophobicContact CB-CE2 4.34Å; Q618-Y622 PolarHBondContact O-N 3.4Å; Q618-Y622 VanDerWaalsContact O-N 3.09Å |
| 623 | E | 89.3 | Confident | 94.1 | Very high | 170 Ų | 170 | 65.4 Ų | 65.4 | 79% | 0.794 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 151.5 | 169.3 | -70.2 | 177.3 | -177.5 | 0 | 0 | 110.7 | ||
| 624 | P | 90.5 | Very high | 94.2 | Very high | 87 Ų | 87 | 61.9 Ų | 61.9 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 133.2 | 172.2 | 26.5 | -33.8 | 0 | 0 | 0 | 109.4 | ||
| 625 | P | 93.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 147.9 | 177 | 30.8 | -36 | 0 | 0 | 0 | 110.8 | T608 L611 K627 | T608-P625 HydrophobicContact CG2-CB 4.17Å; T608-P625 HydrophobicContact CG2-CG 4.26Å; L611-P625 HydrophobicContact CB-CB 3.73Å; L611-P625 HydrophobicContact CB-CG 3.98Å; L611-P625 HydrophobicContact CD1-CB 4.2Å; P625-K627 HydrophobicContact CG-CG 4.41Å; P625-K627 PolarHBondContact O-N 2.96Å |
| 626 | D | 93.5 | Very high | 94.4 | Very high | 49 Ų | 49 | 59.4 Ų | 59.4 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | trans | -68.3 | 110.1 | 164.7 | -169.5 | -25.2 | 0 | 0 | 0 | 108.9 | K570 D628 F629 | K570-D626 WeakPolarHBondContact CE-OD2 3.37Å; K570-D626 IonicContact NZ-OD2 2.67Å; K570-D626 PolarHBondContact NZ-OD2 2.96Å; D626-D628 VanDerWaalsContact C-N 3.3Å; D626-D628 VanDerWaalsContact OD1-CB 3.31Å; D626-D628 WeakPolarHBondContact OD1-CB 3.32Å; D626-D628 PolarHBondContact OD1-N 3.15Å; D626-F629 HydrophobicContact CB-CD2 4.01Å; D626-F629 HydrophobicContact CB-CE2 4.18Å | ||
| 627 | K | 96.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.1 | -176.1 | -57.3 | -151.3 | -143.7 | 164.3 | 0 | 113.5 | T608 P625 F629 M630 V631 D667 V672 | T608-K627 HydrophobicContact CG2-CB 4.26Å; T608-K627 HydrophobicContact CG2-CD 4.47Å; T608-K627 HydrophobicContact CG2-CG 3.96Å; P625-K627 HydrophobicContact CG-CG 4.41Å; P625-K627 PolarHBondContact O-N 2.96Å; K627-F629 PolarHBondContact O-N 3.03Å; K627-M630 HydrophobicContact CB-CE 4.19Å; K627-M630 HydrophobicContact CD-CE 3.7Å; K627-M630 HydrophobicContact CG-CE 4.31Å; K627-M630 WeakPolarHBondContact O-CA 3.06Å; K627-M630 WeakPolarHBondContact O-CB 3.41Å; K627-M630 PolarHBondContact O-N 3.15Å; K627-V631 PolarHBondContact O-N 3.13Å; K627-D667 IonicContact NZ-OD1 3.16Å; K627-D667 PolarHBondContact NZ-OD1 2.89Å; K627-D667 IonicContact NZ-OD2 2.82Å; K627-D667 PolarHBondContact NZ-OD2 3.5Å; K627-V672 HydrophobicContact CB-CG2 4.11Å; K627-V672 HydrophobicContact CD-CG2 4.26Å |
| 628 | D | 95.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.9 | -33.3 | 174.8 | -66.1 | -14.8 | 0 | 0 | 0 | 110.9 | F573 D626 M630 V631 I632 | F573-D628 HydrophobicContact CD2-CB 4.46Å; F573-D628 HydrophobicContact CE1-CB 4.37Å; F573-D628 HydrophobicContact CE2-CB 3.64Å; F573-D628 HydrophobicContact CZ-CB 3.6Å; D626-D628 VanDerWaalsContact C-N 3.3Å; D626-D628 VanDerWaalsContact OD1-CB 3.31Å; D626-D628 WeakPolarHBondContact OD1-CB 3.32Å; D626-D628 PolarHBondContact OD1-N 3.15Å; D628-M630 PolarHBondContact O-N 3.06Å; D628-V631 PolarHBondContact O-N 2.72Å; D628-I632 WeakPolarHBondContact O-CG1 3.42Å; D628-I632 PolarHBondContact O-N 2.86Å |
| 629 | F | 96.3 | Very high | 95 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 9% | 0.088 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.1 | -37.5 | 170.3 | -76 | -80.9 | 0 | 0 | 0 | 112.6 | F573 L604 D626 K627 S633 | F573-F629 HydrophobicContact CD1-CD1 4.47Å; F573-F629 HydrophobicContact CD1-CE1 4.45Å; F573-F629 HydrophobicContact CE1-CB 4.39Å; F573-F629 AromaticContact CE1-CD1 3.55Å; F573-F629 HydrophobicContact CE1-CD1 3.55Å; F573-F629 AromaticContact CE1-CD2 3.87Å; F573-F629 HydrophobicContact CE1-CD2 3.87Å; F573-F629 AromaticContact CE1-CE1 3.61Å; F573-F629 HydrophobicContact CE1-CE1 3.61Å; F573-F629 AromaticContact CE1-CE2 3.94Å; F573-F629 HydrophobicContact CE1-CE2 3.94Å; F573-F629 AromaticContact CE1-CG 3.68Å; F573-F629 HydrophobicContact CE1-CG 3.68Å; F573-F629 AromaticContact CE1-CZ 3.8Å; F573-F629 HydrophobicContact CE1-CZ 3.8Å; F573-F629 HydrophobicContact CZ-CD1 4.33Å; F573-F629 AromaticContact CZ-CD2 3.83Å; F573-F629 HydrophobicContact CZ-CD2 3.83Å; F573-F629 HydrophobicContact CZ-CE1 4.28Å; F573-F629 AromaticContact CZ-CE2 3.78Å; F573-F629 HydrophobicContact CZ-CE2 3.78Å; F573-F629 HydrophobicContact CZ-CG 4.1Å; F573-F629 HydrophobicContact CZ-CZ 4.01Å; L604-F629 HydrophobicContact CD2-CD1 4.04Å; D626-F629 HydrophobicContact CB-CD2 4.01Å; D626-F629 HydrophobicContact CB-CE2 4.18Å; K627-F629 PolarHBondContact O-N 3.03Å; F629-S633 WeakPolarHBondContact O-CB 3.41Å; F629-S633 PolarHBondContact O-N 3.48Å; F629-S633 PolarHBondContact O-OG 2.99Å |
| 630 | M | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.6 | -43.6 | 177.9 | 175.1 | 169.9 | 55.7 | 0 | 0 | 111.2 | I605 T608 I609 K627 D628 S633 L634 A664 V672 | I605-M630 HydrophobicContact CB-CG 4.48Å; I605-M630 HydrophobicContact CG1-CG 4.16Å; I605-M630 HydrophobicContact CG2-CG 4.19Å; I605-M630 HydrophobicContact CG2-SD 4.25Å; T608-M630 HydrophobicContact CG2-CB 3.8Å; T608-M630 HydrophobicContact CG2-CE 3.99Å; T608-M630 HydrophobicContact CG2-SD 4.4Å; I609-M630 HydrophobicContact CD1-SD 4.15Å; I609-M630 HydrophobicContact CG1-SD 3.72Å; K627-M630 HydrophobicContact CB-CE 4.19Å; K627-M630 HydrophobicContact CD-CE 3.7Å; K627-M630 HydrophobicContact CG-CE 4.31Å; K627-M630 WeakPolarHBondContact O-CA 3.06Å; K627-M630 WeakPolarHBondContact O-CB 3.41Å; K627-M630 PolarHBondContact O-N 3.15Å; D628-M630 PolarHBondContact O-N 3.06Å; M630-S633 PolarHBondContact O-N 2.86Å; M630-L634 HydrophobicContact CG-CD1 3.85Å; M630-L634 HydrophobicContact CG-CG 4.39Å; M630-L634 WeakPolarHBondContact O-CB 3.26Å; M630-L634 WeakPolarHBondContact O-CD1 3.29Å; M630-L634 WeakPolarHBondContact O-CG 3.45Å; M630-L634 PolarHBondContact O-N 3.18Å; M630-A664 HydrophobicContact SD-CB 3.96Å; M630-V672 HydrophobicContact CE-CB 4.09Å; M630-V672 HydrophobicContact CE-CG1 3.33Å; M630-V672 HydrophobicContact CE-CG2 3.56Å; M630-V672 HydrophobicContact CG-CG1 4.33Å; M630-V672 HydrophobicContact SD-CG1 3.92Å |
| 631 | V | 97.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -55.6 | -56.5 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | K627 D628 S633 L634 D635 D671 V672 S675 | K627-V631 PolarHBondContact O-N 3.13Å; D628-V631 PolarHBondContact O-N 2.72Å; V631-S633 VanDerWaalsContact C-N 3.3Å; V631-S633 PolarHBondContact O-N 2.89Å; V631-L634 WeakPolarHBondContact O-CB 3.36Å; V631-L634 PolarHBondContact O-N 3.04Å; V631-L634 VanDerWaalsContact O-N 3.08Å; V631-D635 PolarHBondContact O-N 2.86Å; V631-D671 HydrophobicContact CG2-CB 4.12Å; V631-V672 HydrophobicContact CG2-CG2 3.88Å; V631-S675 WeakPolarHBondContact CG1-OG 3.35Å |
| 632 | I | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.8 | -31.2 | -174.7 | -58.3 | 167.3 | 0 | 0 | 0 | 111.1 | F573 L576 E577 D628 D635 L636 | F573-I632 HydrophobicContact CB-CD1 3.45Å; F573-I632 VanDerWaalsContact CB-CD1 3.45Å; F573-I632 HydrophobicContact CD1-CD1 3.54Å; F573-I632 HydrophobicContact CD2-CD1 3.83Å; F573-I632 HydrophobicContact CE1-CD1 4.21Å; F573-I632 HydrophobicContact CE2-CD1 4.46Å; F573-I632 HydrophobicContact CG-CD1 3.32Å; L576-I632 HydrophobicContact CB-CG2 3.34Å; L576-I632 HydrophobicContact CD1-CB 4.29Å; L576-I632 HydrophobicContact CD1-CG2 3.75Å; L576-I632 HydrophobicContact CG-CG2 4.18Å; E577-I632 HydrophobicContact CG-CG2 4.08Å; D628-I632 WeakPolarHBondContact O-CG1 3.42Å; D628-I632 PolarHBondContact O-N 2.86Å; I632-D635 PolarHBondContact O-N 2.89Å; I632-L636 PolarHBondContact O-N 3.18Å |
| 633 | S | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -40 | 171.8 | -68.3 | 0 | 0 | 0 | 0 | 112.5 | L604 F629 M630 V631 L637 | L604-S633 WeakPolarHBondContact CB-OG 3.17Å; L604-S633 WeakPolarHBondContact CD1-OG 3.31Å; F629-S633 WeakPolarHBondContact O-CB 3.41Å; F629-S633 PolarHBondContact O-N 3.48Å; F629-S633 PolarHBondContact O-OG 2.99Å; M630-S633 PolarHBondContact O-N 2.86Å; V631-S633 VanDerWaalsContact C-N 3.3Å; V631-S633 PolarHBondContact O-N 2.89Å; S633-L637 VanDerWaalsContact O-CG 3.25Å; S633-L637 WeakPolarHBondContact O-CG 3.28Å; S633-L637 PolarHBondContact O-N 3.05Å |
| 634 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 175.4 | -71.9 | 163.2 | 0 | 0 | 0 | 110.7 | I605 M630 V631 L637 S638 L661 A664 V672 S676 L679 | I605-L634 HydrophobicContact CD1-CD2 3.73Å; I605-L634 HydrophobicContact CD1-CG 3.93Å; I605-L634 HydrophobicContact CG1-CD2 4.46Å; I605-L634 HydrophobicContact CG1-CG 4.3Å; M630-L634 HydrophobicContact CG-CD1 3.85Å; M630-L634 HydrophobicContact CG-CG 4.39Å; M630-L634 WeakPolarHBondContact O-CB 3.26Å; M630-L634 WeakPolarHBondContact O-CD1 3.29Å; M630-L634 WeakPolarHBondContact O-CG 3.45Å; M630-L634 PolarHBondContact O-N 3.18Å; V631-L634 WeakPolarHBondContact O-CB 3.36Å; V631-L634 PolarHBondContact O-N 3.04Å; V631-L634 VanDerWaalsContact O-N 3.08Å; L634-L637 PolarHBondContact O-N 3.32Å; L634-S638 PolarHBondContact O-N 2.92Å; L634-L661 HydrophobicContact CD2-CD1 4.03Å; L634-A664 HydrophobicContact CD1-CB 4.24Å; L634-V672 HydrophobicContact CD1-CG1 4.35Å; L634-S676 WeakPolarHBondContact CD1-OG 3.43Å; L634-L679 HydrophobicContact CD2-CD2 3.63Å |
| 635 | D | 98.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 19.1 Ų | 19.1 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 178.1 | -67.8 | -21.6 | 0 | 0 | 0 | 111.7 | S580 V631 I632 L637 S638 G639 S675 | S580-D635 PolarHBondContact OG-O 3.26Å; V631-D635 PolarHBondContact O-N 2.86Å; I632-D635 PolarHBondContact O-N 2.89Å; D635-L637 VanDerWaalsContact C-N 3.35Å; D635-L637 PolarHBondContact O-N 3.13Å; D635-S638 WeakPolarHBondContact O-CA 3.43Å; D635-S638 WeakPolarHBondContact O-CB 3.2Å; D635-S638 PolarHBondContact O-N 2.96Å; D635-G639 PolarHBondContact O-N 2.89Å; D635-S675 WeakPolarHBondContact OD1-CB 3.28Å; D635-S675 PolarHBondContact OD1-OG 2.85Å; D635-S675 PolarHBondContact OD2-OG 3.08Å |
| 636 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.2 | 177.7 | 53 | 0 | 0 | 0 | 112.4 | L576 L579 S580 V597 I632 S638 G639 L640 | L576-L636 HydrophobicContact CB-CD2 4.26Å; L576-L636 HydrophobicContact CD2-CD2 3.33Å; L576-L636 HydrophobicContact CG-CD2 4.4Å; L579-L636 VanDerWaalsContact C-CD1 3.41Å; L579-L636 HydrophobicContact CB-CD1 3.9Å; L579-L636 HydrophobicContact CB-CD2 4.07Å; L579-L636 WeakPolarHBondContact O-CD1 3.12Å; S580-L636 VanDerWaalsContact CA-CD1 3.42Å; S580-L636 VanDerWaalsContact N-CD1 3.34Å; V597-L636 HydrophobicContact CG1-CD1 4.25Å; V597-L636 HydrophobicContact CG1-CD2 3.43Å; V597-L636 VanDerWaalsContact CG1-CD2 3.43Å; V597-L636 HydrophobicContact CG1-CG 3.86Å; I632-L636 PolarHBondContact O-N 3.18Å; L636-S638 PolarHBondContact O-N 2.87Å; L636-G639 PolarHBondContact O-N 2.86Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.08Å |
| 637 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 172.4 | -72 | 175.1 | 0 | 0 | 0 | 111.3 | F598 C601 V602 I605 S633 L634 D635 L640 M641 L657 L679 | F598-L637 HydrophobicContact CD2-CD2 3.4Å; F598-L637 VanDerWaalsContact CD2-CD2 3.4Å; F598-L637 HydrophobicContact CE2-CD2 3.79Å; F598-L637 HydrophobicContact CG-CD2 4.12Å; C601-L637 HydrophobicContact CB-CD1 4.04Å; C601-L637 HydrophobicContact CB-CD2 3.86Å; C601-L637 HydrophobicContact CB-CG 3.71Å; V602-L637 HydrophobicContact CG2-CD1 4.36Å; I605-L637 HydrophobicContact CD1-CD1 3.52Å; S633-L637 VanDerWaalsContact O-CG 3.25Å; S633-L637 WeakPolarHBondContact O-CG 3.28Å; S633-L637 PolarHBondContact O-N 3.05Å; L634-L637 PolarHBondContact O-N 3.32Å; D635-L637 VanDerWaalsContact C-N 3.35Å; D635-L637 PolarHBondContact O-N 3.13Å; L637-L640 HydrophobicContact CD2-CD1 4.14Å; L637-L640 PolarHBondContact O-N 2.87Å; L637-M641 WeakPolarHBondContact O-CG 3.42Å; L637-M641 PolarHBondContact O-N 3.32Å; L637-L657 HydrophobicContact CD1-CD1 3.6Å; L637-L657 HydrophobicContact CD1-CD2 4.31Å; L637-L679 HydrophobicContact CB-CD1 3.81Å; L637-L679 HydrophobicContact CB-CD2 3.75Å; L637-L679 HydrophobicContact CB-CG 4.44Å; L637-L679 HydrophobicContact CD1-CD2 3.99Å |
| 638 | S | 98.5 | Very high | 97.6 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.6 | -51.4 | 173.3 | -131.9 | 0 | 0 | 0 | 0 | 110.4 | L634 D635 L636 L640 M641 E642 A678 L679 D682 | L634-S638 PolarHBondContact O-N 2.92Å; D635-S638 WeakPolarHBondContact O-CA 3.43Å; D635-S638 WeakPolarHBondContact O-CB 3.2Å; D635-S638 PolarHBondContact O-N 2.96Å; L636-S638 PolarHBondContact O-N 2.87Å; S638-L640 VanDerWaalsContact C-N 3.29Å; S638-L640 PolarHBondContact O-N 3.14Å; S638-M641 WeakPolarHBondContact O-CB 3.46Å; S638-M641 PolarHBondContact O-N 3.32Å; S638-E642 PolarHBondContact O-N 3.33Å; S638-A678 VanDerWaalsContact OG-C 3.28Å; S638-A678 PolarHBondContact OG-O 2.6Å; S638-L679 WeakPolarHBondContact OG-CA 3.38Å; S638-L679 PolarHBondContact OG-N 3.09Å; S638-D682 PolarHBondContact OG-OD2 3.4Å |
| 639 | G | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T584 D635 L636 E642 G643 | T584-G639 PolarHBondContact OG1-O 3.11Å; D635-G639 PolarHBondContact O-N 2.89Å; L636-G639 PolarHBondContact O-N 2.86Å; G639-E642 PolarHBondContact O-N 3.24Å; G639-G643 PolarHBondContact O-N 3.19Å |
| 640 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 171.4 | -70.4 | 177.3 | 0 | 0 | 0 | 112.2 | A583 F590 C594 V597 F598 L636 L637 S638 L644 M648 | A583-L640 HydrophobicContact CB-CD2 3.82Å; A583-L640 HydrophobicContact CB-CG 4.4Å; F590-L640 HydrophobicContact CD1-CD2 3.72Å; F590-L640 HydrophobicContact CE1-CD2 3.6Å; F590-L640 HydrophobicContact CZ-CD2 4.48Å; C594-L640 HydrophobicContact CB-CD2 4.27Å; V597-L640 HydrophobicContact CG1-CD1 4.1Å; F598-L640 HydrophobicContact CB-CD1 4.12Å; F598-L640 HydrophobicContact CD2-CD1 4.37Å; L636-L640 WeakPolarHBondContact O-CG 3.33Å; L636-L640 PolarHBondContact O-N 3.08Å; L637-L640 HydrophobicContact CD2-CD1 4.14Å; L637-L640 PolarHBondContact O-N 2.87Å; S638-L640 VanDerWaalsContact C-N 3.29Å; S638-L640 PolarHBondContact O-N 3.14Å; L640-L644 HydrophobicContact CD2-CD1 3.92Å; L640-L644 VanDerWaalsContact O-CB 3.24Å; L640-L644 WeakPolarHBondContact O-CB 3.42Å; L640-L644 PolarHBondContact O-N 2.77Å; L640-M648 HydrophobicContact CB-CE 4.13Å; L640-M648 HydrophobicContact CD1-CE 4.1Å |
| 641 | M | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 178 | -67.3 | -49.1 | 116.2 | 0 | 0 | 111.4 | F598 L637 S638 G645 M648 V652 L679 D682 L683 A686 | F598-M641 HydrophobicContact CD2-CE 4.37Å; F598-M641 HydrophobicContact CE2-CE 4.09Å; L637-M641 WeakPolarHBondContact O-CG 3.42Å; L637-M641 PolarHBondContact O-N 3.32Å; S638-M641 WeakPolarHBondContact O-CB 3.46Å; S638-M641 PolarHBondContact O-N 3.32Å; M641-G645 VanDerWaalsContact O-CA 3.25Å; M641-G645 WeakPolarHBondContact O-CA 3.32Å; M641-G645 PolarHBondContact O-N 3.28Å; M641-M648 HydrophobicContact CE-CB 3.65Å; M641-M648 HydrophobicContact CE-CE 3.61Å; M641-M648 HydrophobicContact CE-CG 3.64Å; M641-M648 HydrophobicContact CE-SD 4.46Å; M641-M648 HydrophobicContact SD-CB 3.7Å; M641-M648 HydrophobicContact SD-CG 3.95Å; M641-V652 HydrophobicContact CE-CG2 4.26Å; M641-V652 HydrophobicContact SD-CG2 4.33Å; M641-L679 HydrophobicContact CG-CD1 3.9Å; M641-D682 HydrophobicContact CB-CB 3.82Å; M641-L683 HydrophobicContact CG-CB 4.28Å; M641-L683 HydrophobicContact CG-CD1 4.24Å; M641-L683 HydrophobicContact SD-CD1 3.63Å; M641-A686 HydrophobicContact CB-CB 4.25Å; M641-A686 HydrophobicContact SD-CB 4.32Å |
| 642 | E | 96.7 | Very high | 97.7 | Very high | 120 Ų | 120 | 32.2 Ų | 32.2 | 56% | 0.561 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -64.2 | -48.6 | 178.5 | -171.8 | 179.4 | -172 | 0 | 0 | 111.6 | T584 S638 G639 | T584-E642 HydrophobicContact CG2-CG 4.13Å; T584-E642 PolarHBondContact OG1-OE2 2.91Å; S638-E642 PolarHBondContact O-N 3.33Å; G639-E642 PolarHBondContact O-N 3.24Å |
| 643 | G | 97.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 35.1 Ų | 35.1 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.4 | -39.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G587 G639 | G587-G643 CarbonylContact C-O 3.3Å; G587-G643 WeakPolarHBondContact CA-O 3.27Å; G639-G643 PolarHBondContact O-N 3.19Å |
| 644 | L | 98 | Very high | 97.5 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -103.3 | -19.5 | -170.5 | -65.5 | 161.7 | 0 | 0 | 0 | 113.7 | G587 F590 L591 C594 L640 S646 Q647 M648 | G587-L644 WeakPolarHBondContact O-CD2 3.3Å; F590-L644 HydrophobicContact CB-CD2 4.45Å; F590-L644 HydrophobicContact CD1-CD1 4.44Å; L591-L644 HydrophobicContact CD2-CD2 3.7Å; L591-L644 HydrophobicContact CG-CD2 3.72Å; C594-L644 HydrophobicContact CB-CD1 3.61Å; L640-L644 HydrophobicContact CD2-CD1 3.92Å; L640-L644 VanDerWaalsContact O-CB 3.24Å; L640-L644 WeakPolarHBondContact O-CB 3.42Å; L640-L644 PolarHBondContact O-N 2.77Å; L644-S646 PolarHBondContact O-N 2.9Å; L644-Q647 HydrophobicContact CB-CB 4.42Å; L644-Q647 WeakPolarHBondContact O-CB 3.46Å; L644-Q647 WeakPolarHBondContact O-CG 3.27Å; L644-Q647 PolarHBondContact O-N 3.07Å; L644-M648 HydrophobicContact CB-CG 3.75Å; L644-M648 HydrophobicContact CB-SD 3.91Å; L644-M648 HydrophobicContact CD1-CG 4.35Å; L644-M648 HydrophobicContact CD1-SD 3.44Å; L644-M648 WeakPolarHBondContact CD1-SD 3.5Å; L644-M648 HydrophobicContact CG-SD 4.3Å |
| 645 | G | 96.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | 52.9 | -132.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M641 Q647 M648 | M641-G645 VanDerWaalsContact O-CA 3.25Å; M641-G645 WeakPolarHBondContact O-CA 3.32Å; M641-G645 PolarHBondContact O-N 3.28Å; G645-Q647 PolarHBondContact O-N 3.48Å; G645-M648 WeakPolarHBondContact O-CB 3.47Å; G645-M648 PolarHBondContact O-N 3.03Å |
| 646 | S | 96.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 49% | 0.49 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.4 | -11 | -177.1 | 59.6 | 0 | 0 | 0 | 0 | 114.9 | L644 M648 E649 | L644-S646 PolarHBondContact O-N 2.9Å; S646-M648 PolarHBondContact O-N 3.13Å; S646-E649 WeakPolarHBondContact O-CB 3.39Å; S646-E649 VanDerWaalsContact O-CG 3.29Å; S646-E649 WeakPolarHBondContact O-CG 3.37Å; S646-E649 PolarHBondContact O-N 2.86Å |
| 647 | Q | 97.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 41.2 Ų | 41.2 | 52% | 0.523 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -65.9 | -16.8 | 172.4 | -58.4 | -61.8 | -36.6 | 0 | 0 | 112.4 | L591 L644 G645 E649 | L591-Q647 HydrophobicContact CD2-CB 3.89Å; L591-Q647 HydrophobicContact CD2-CG 4.42Å; L644-Q647 HydrophobicContact CB-CB 4.42Å; L644-Q647 WeakPolarHBondContact O-CB 3.46Å; L644-Q647 WeakPolarHBondContact O-CG 3.27Å; L644-Q647 PolarHBondContact O-N 3.07Å; G645-Q647 PolarHBondContact O-N 3.48Å; Q647-E649 VanDerWaalsContact C-N 3.34Å |
| 648 | M | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -79.7 | -11.7 | 177.6 | -64.8 | -55.6 | -67.9 | 0 | 0 | 114.1 | C594 F598 L640 M641 L644 G645 S646 H650 L651 V652 | C594-M648 HydrophobicContact CB-SD 4.34Å; F598-M648 HydrophobicContact CB-CE 4.3Å; F598-M648 HydrophobicContact CD2-CE 3.44Å; F598-M648 VanDerWaalsContact CD2-CE 3.44Å; F598-M648 HydrophobicContact CE2-CE 4.06Å; F598-M648 HydrophobicContact CG-CE 4.12Å; L640-M648 HydrophobicContact CB-CE 4.13Å; L640-M648 HydrophobicContact CD1-CE 4.1Å; M641-M648 HydrophobicContact CE-CB 3.65Å; M641-M648 HydrophobicContact CE-CE 3.61Å; M641-M648 HydrophobicContact CE-CG 3.64Å; M641-M648 HydrophobicContact CE-SD 4.46Å; M641-M648 HydrophobicContact SD-CB 3.7Å; M641-M648 HydrophobicContact SD-CG 3.95Å; L644-M648 HydrophobicContact CB-CG 3.75Å; L644-M648 HydrophobicContact CB-SD 3.91Å; L644-M648 HydrophobicContact CD1-CG 4.35Å; L644-M648 HydrophobicContact CD1-SD 3.44Å; L644-M648 WeakPolarHBondContact CD1-SD 3.5Å; L644-M648 HydrophobicContact CG-SD 4.3Å; G645-M648 WeakPolarHBondContact O-CB 3.47Å; G645-M648 PolarHBondContact O-N 3.03Å; S646-M648 PolarHBondContact O-N 3.13Å; M648-H650 VanDerWaalsContact C-N 3.27Å; M648-H650 PolarHBondContact O-N 3.41Å; M648-H650 VanDerWaalsContact O-N 3.14Å; M648-L651 HydrophobicContact CE-CB 4.37Å; M648-L651 HydrophobicContact CE-CD1 3.65Å; M648-L651 PolarHBondContact O-N 3.46Å; M648-L651 HydrophobicContact SD-CD1 4.21Å; M648-V652 HydrophobicContact CB-CG2 4.4Å; M648-V652 WeakPolarHBondContact O-CG2 3.45Å; M648-V652 PolarHBondContact O-N 2.94Å |
| 649 | E | 96.9 | Very high | 97.4 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.1 | -41.3 | -174.1 | -75.3 | -175.8 | 176.7 | 0 | 0 | 113.2 | S646 Q647 L651 V652 S653 C687 Y690 | S646-E649 WeakPolarHBondContact O-CB 3.39Å; S646-E649 VanDerWaalsContact O-CG 3.29Å; S646-E649 WeakPolarHBondContact O-CG 3.37Å; S646-E649 PolarHBondContact O-N 2.86Å; Q647-E649 VanDerWaalsContact C-N 3.34Å; E649-L651 PolarHBondContact O-N 3.41Å; E649-V652 PolarHBondContact O-N 3.13Å; E649-S653 WeakPolarHBondContact O-CB 3.47Å; E649-S653 PolarHBondContact O-N 3.43Å; E649-S653 PolarHBondContact O-OG 3.38Å; E649-C687 HydrophobicContact CG-CB 4.44Å; E649-Y690 HydrophobicContact CB-CE2 4.1Å; E649-Y690 HydrophobicContact CG-CE2 4.07Å |
| 650 | H | 96 | Very high | 97.4 | Very high | 142 Ų | 142 | 47.6 Ų | 47.6 | 66% | 0.657 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 178.9 | 172 | -86 | 0 | 0 | 0 | 112.1 | M648 S653 S654 | M648-H650 VanDerWaalsContact C-N 3.27Å; M648-H650 PolarHBondContact O-N 3.41Å; M648-H650 VanDerWaalsContact O-N 3.14Å; H650-S653 PolarHBondContact O-OG 3.29Å; H650-S654 PolarHBondContact O-N 3.17Å; H650-S654 PolarHBondContact O-OG 2.94Å |
| 651 | L | 98 | Very high | 97.4 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72 | -42.5 | 179.4 | -67.2 | 174.6 | 0 | 0 | 0 | 111.2 | A595 F598 M648 E649 S653 S654 S655 | A595-L651 HydrophobicContact CB-CD1 4.42Å; A595-L651 HydrophobicContact CB-CD2 4.12Å; F598-L651 HydrophobicContact CB-CD1 4.04Å; F598-L651 HydrophobicContact CD1-CB 3.86Å; F598-L651 HydrophobicContact CD1-CD1 4.45Å; F598-L651 HydrophobicContact CD2-CB 4.34Å; F598-L651 HydrophobicContact CE1-CB 3.86Å; F598-L651 HydrophobicContact CE2-CB 4.34Å; F598-L651 HydrophobicContact CG-CB 4.1Å; F598-L651 HydrophobicContact CG-CD1 4.12Å; F598-L651 HydrophobicContact CZ-CB 4.12Å; M648-L651 HydrophobicContact CE-CB 4.37Å; M648-L651 HydrophobicContact CE-CD1 3.65Å; M648-L651 PolarHBondContact O-N 3.46Å; M648-L651 HydrophobicContact SD-CD1 4.21Å; E649-L651 PolarHBondContact O-N 3.41Å; L651-S653 PolarHBondContact O-N 3.45Å; L651-S654 PolarHBondContact O-N 2.99Å; L651-S654 PolarHBondContact O-OG 3.28Å; L651-S655 VanDerWaalsContact O-CB 3.26Å; L651-S655 WeakPolarHBondContact O-CB 3.31Å; L651-S655 PolarHBondContact O-N 3.37Å; L651-S655 PolarHBondContact O-OG 3.25Å |
| 652 | V | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 176.5 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | F598 M641 M648 E649 S654 S655 V658 L683 Y690 | F598-V652 HydrophobicContact CE2-CG2 4.28Å; F598-V652 HydrophobicContact CZ-CG2 4.36Å; M641-V652 HydrophobicContact CE-CG2 4.26Å; M641-V652 HydrophobicContact SD-CG2 4.33Å; M648-V652 HydrophobicContact CB-CG2 4.4Å; M648-V652 WeakPolarHBondContact O-CG2 3.45Å; M648-V652 PolarHBondContact O-N 2.94Å; E649-V652 PolarHBondContact O-N 3.13Å; V652-S654 PolarHBondContact O-N 3.3Å; V652-S655 PolarHBondContact O-N 3.16Å; V652-S655 VanDerWaalsContact O-N 3.12Å; V652-S655 PolarHBondContact O-OG 3.33Å; V652-V658 HydrophobicContact CG1-CG2 4.32Å; V652-L683 HydrophobicContact CG1-CD1 4.09Å; V652-L683 HydrophobicContact CG2-CD1 3.72Å; V652-Y690 HydrophobicContact CG1-CD2 4Å; V652-Y690 HydrophobicContact CG1-CG 3.92Å |
| 653 | S | 96.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.9 | -28.5 | -176.6 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | E649 H650 L651 Y690 | E649-S653 WeakPolarHBondContact O-CB 3.47Å; E649-S653 PolarHBondContact O-N 3.43Å; E649-S653 PolarHBondContact O-OG 3.38Å; H650-S653 PolarHBondContact O-OG 3.29Å; L651-S653 PolarHBondContact O-N 3.45Å; S653-Y690 WeakPolarHBondContact CB-OH 3.42Å |
| 654 | S | 95.2 | Very high | 97.5 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 61% | 0.608 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 7.5 | -177.8 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | H650 L651 V652 | H650-S654 PolarHBondContact O-N 3.17Å; H650-S654 PolarHBondContact O-OG 2.94Å; L651-S654 PolarHBondContact O-N 2.99Å; L651-S654 PolarHBondContact O-OG 3.28Å; V652-S654 PolarHBondContact O-N 3.3Å |
| 655 | S | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -123.5 | 159.8 | -172.5 | 77.5 | 0 | 0 | 0 | 0 | 113.4 | L651 V652 L657 | L651-S655 VanDerWaalsContact O-CB 3.26Å; L651-S655 WeakPolarHBondContact O-CB 3.31Å; L651-S655 PolarHBondContact O-N 3.37Å; L651-S655 PolarHBondContact O-OG 3.25Å; V652-S655 PolarHBondContact O-N 3.16Å; V652-S655 VanDerWaalsContact O-N 3.12Å; V652-S655 PolarHBondContact O-OG 3.33Å; S655-L657 PolarHBondContact O-N 3.35Å; S655-L657 WeakPolarHBondContact OG-CB 3.46Å; S655-L657 PolarHBondContact OG-N 3.02Å |
| 656 | P | 97.5 | Very high | 97.6 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.7 | 7.5 | 172.5 | 33.6 | -37.1 | 0 | 0 | 0 | 113.8 | V602 V658 K659 L660 | V602-P656 HydrophobicContact CG1-CG 3.88Å; P656-V658 PolarHBondContact O-N 3.2Å; P656-K659 WeakPolarHBondContact O-CB 3.46Å; P656-K659 PolarHBondContact O-N 3Å; P656-L660 HydrophobicContact CB-CD1 4.28Å; P656-L660 HydrophobicContact CB-CG 4.28Å; P656-L660 HydrophobicContact CG-CD1 3.88Å; P656-L660 HydrophobicContact CG-CG 4.43Å; P656-L660 PolarHBondContact O-N 3.28Å; P656-L660 VanDerWaalsContact O-N 3.08Å |
| 657 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -51.9 | -49.4 | -166.6 | 176.1 | 58.1 | 0 | 0 | 0 | 113.7 | F598 V602 L637 S655 K659 L660 L661 L679 L683 | F598-L657 HydrophobicContact CE2-CD2 3.71Å; F598-L657 HydrophobicContact CZ-CB 4.34Å; F598-L657 HydrophobicContact CZ-CD2 3.8Å; V602-L657 HydrophobicContact CG2-CB 4.33Å; V602-L657 HydrophobicContact CG2-CD1 4.32Å; L637-L657 HydrophobicContact CD1-CD1 3.6Å; L637-L657 HydrophobicContact CD1-CD2 4.31Å; S655-L657 PolarHBondContact O-N 3.35Å; S655-L657 WeakPolarHBondContact OG-CB 3.46Å; S655-L657 PolarHBondContact OG-N 3.02Å; L657-K659 PolarHBondContact O-N 3.01Å; L657-L660 PolarHBondContact O-N 3.18Å; L657-L660 VanDerWaalsContact O-N 3.13Å; L657-L661 VanDerWaalsContact O-CB 3.27Å; L657-L661 WeakPolarHBondContact O-CB 3.3Å; L657-L661 PolarHBondContact O-N 2.83Å; L657-L679 HydrophobicContact CD1-CD2 4.16Å; L657-L683 HydrophobicContact CD2-CD2 4.29Å |
| 658 | V | 98 | Very high | 97.5 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -38.2 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | V652 P656 C662 L683 I691 F698 | V652-V658 HydrophobicContact CG1-CG2 4.32Å; P656-V658 PolarHBondContact O-N 3.2Å; V658-C662 PolarHBondContact O-N 2.69Å; V658-C662 VanDerWaalsContact O-N 3.09Å; V658-L683 HydrophobicContact CG2-CD2 4.33Å; V658-I691 HydrophobicContact CG1-CD1 3.94Å; V658-I691 HydrophobicContact CG2-CD1 4.13Å; V658-F698 HydrophobicContact CG1-CE2 3.97Å; V658-F698 HydrophobicContact CG1-CZ 4.18Å |
| 659 | K | 97.8 | Very high | 97.4 | Very high | 130 Ų | 130 | 48.7 Ų | 48.7 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | 176.8 | -179.6 | -174.1 | 171.3 | -168.2 | 0 | 110.8 | P656 L657 L661 C662 E663 | P656-K659 WeakPolarHBondContact O-CB 3.46Å; P656-K659 PolarHBondContact O-N 3Å; L657-K659 PolarHBondContact O-N 3.01Å; K659-L661 VanDerWaalsContact C-N 3.3Å; K659-L661 PolarHBondContact O-N 3.24Å; K659-C662 WeakPolarHBondContact O-CB 3.42Å; K659-C662 PolarHBondContact O-N 2.94Å; K659-E663 VanDerWaalsContact CE-OE1 3.29Å; K659-E663 WeakPolarHBondContact CE-OE1 3.05Å; K659-E663 PolarHBondContact O-N 2.95Å; K659-E663 VanDerWaalsContact O-N 3.14Å |
| 660 | L | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 178.3 | -64.1 | 176 | 0 | 0 | 0 | 111.5 | V602 I605 D606 I609 P656 L657 C662 E663 A664 | V602-L660 HydrophobicContact CG1-CD1 3.94Å; I605-L660 HydrophobicContact CG2-CB 3.96Å; I605-L660 HydrophobicContact CG2-CD1 4.35Å; D606-L660 HydrophobicContact CB-CD1 3.84Å; D606-L660 HydrophobicContact CB-CD2 3.98Å; D606-L660 WeakPolarHBondContact OD1-CD2 3.24Å; I609-L660 HydrophobicContact CD1-CB 4.26Å; I609-L660 HydrophobicContact CD1-CD2 4.14Å; P656-L660 HydrophobicContact CB-CD1 4.28Å; P656-L660 HydrophobicContact CB-CG 4.28Å; P656-L660 HydrophobicContact CG-CD1 3.88Å; P656-L660 HydrophobicContact CG-CG 4.43Å; P656-L660 PolarHBondContact O-N 3.28Å; P656-L660 VanDerWaalsContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 3.18Å; L657-L660 VanDerWaalsContact O-N 3.13Å; L660-C662 VanDerWaalsContact C-N 3.3Å; L660-C662 PolarHBondContact O-N 3.1Å; L660-E663 PolarHBondContact O-N 3.39Å; L660-E663 VanDerWaalsContact O-N 3.12Å; L660-A664 WeakPolarHBondContact O-CB 3.29Å; L660-A664 PolarHBondContact O-N 2.82Å |
| 661 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 175.3 | -178.7 | 58.5 | 0 | 0 | 0 | 111.7 | L634 L657 K659 E663 A664 A665 S676 L679 L680 L683 F698 | L634-L661 HydrophobicContact CD2-CD1 4.03Å; L657-L661 VanDerWaalsContact O-CB 3.27Å; L657-L661 WeakPolarHBondContact O-CB 3.3Å; L657-L661 PolarHBondContact O-N 2.83Å; K659-L661 VanDerWaalsContact C-N 3.3Å; K659-L661 PolarHBondContact O-N 3.24Å; L661-E663 VanDerWaalsContact C-N 3.3Å; L661-E663 PolarHBondContact O-N 3.13Å; L661-A664 PolarHBondContact O-N 3.22Å; L661-A665 WeakPolarHBondContact O-CB 3.32Å; L661-A665 PolarHBondContact O-N 3.36Å; L661-S676 WeakPolarHBondContact CD1-O 3.11Å; L661-L679 HydrophobicContact CD1-CB 4.3Å; L661-L679 HydrophobicContact CD1-CD2 4.04Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CD2-CG 4.28Å; L661-L680 HydrophobicContact CD2-CB 4.14Å; L661-L680 HydrophobicContact CD2-CD1 4.1Å; L661-L683 HydrophobicContact CD2-CD2 3.88Å; L661-F698 HydrophobicContact CG-CE1 4.27Å; L661-F698 HydrophobicContact CG-CZ 4.44Å |
| 662 | C | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 176.4 | -163.2 | 0 | 0 | 0 | 0 | 112.6 | V658 K659 L660 Q666 Q697 F698 | V658-C662 PolarHBondContact O-N 2.69Å; V658-C662 VanDerWaalsContact O-N 3.09Å; K659-C662 WeakPolarHBondContact O-CB 3.42Å; K659-C662 PolarHBondContact O-N 2.94Å; L660-C662 VanDerWaalsContact C-N 3.3Å; L660-C662 PolarHBondContact O-N 3.1Å; C662-Q666 PolarHBondContact O-NE2 3.03Å; C662-Q697 PolarHBondContact SG-NE2 3.12Å; C662-Q697 PolarHBondContact SG-OE1 2.73Å; C662-F698 HydrophobicContact CB-CE1 3.88Å; C662-F698 HydrophobicContact CB-CZ 3.75Å |
| 663 | E | 98.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.1 | -46.4 | 175.2 | -64.7 | -174.7 | -142.8 | 0 | 0 | 111.6 | I609 K613 K659 L660 L661 A665 Q666 D667 | I609-E663 HydrophobicContact CD1-CB 4.14Å; I609-E663 WeakPolarHBondContact CG2-OE2 3.27Å; K613-E663 WeakPolarHBondContact CE-OE2 3.29Å; K613-E663 IonicContact NZ-OE1 2.77Å; K613-E663 IonicContact NZ-OE2 2.75Å; K613-E663 PolarHBondContact NZ-OE2 2.65Å; K659-E663 VanDerWaalsContact CE-OE1 3.29Å; K659-E663 WeakPolarHBondContact CE-OE1 3.05Å; K659-E663 PolarHBondContact O-N 2.95Å; K659-E663 VanDerWaalsContact O-N 3.14Å; L660-E663 PolarHBondContact O-N 3.39Å; L660-E663 VanDerWaalsContact O-N 3.12Å; L661-E663 VanDerWaalsContact C-N 3.3Å; L661-E663 PolarHBondContact O-N 3.13Å; E663-A665 VanDerWaalsContact C-N 3.34Å; E663-A665 PolarHBondContact O-N 3.12Å; E663-Q666 PolarHBondContact O-N 3.5Å; E663-Q666 VanDerWaalsContact O-N 3.1Å; E663-D667 PolarHBondContact O-N 2.79Å |
| 664 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I609 M630 L634 L660 L661 Q666 D667 V672 S676 | I609-A664 HydrophobicContact CD1-CB 4.38Å; M630-A664 HydrophobicContact SD-CB 3.96Å; L634-A664 HydrophobicContact CD1-CB 4.24Å; L660-A664 WeakPolarHBondContact O-CB 3.29Å; L660-A664 PolarHBondContact O-N 2.82Å; L661-A664 PolarHBondContact O-N 3.22Å; A664-Q666 PolarHBondContact O-N 2.96Å; A664-D667 VanDerWaalsContact O-CB 3.23Å; A664-D667 WeakPolarHBondContact O-CB 3.48Å; A664-D667 PolarHBondContact O-N 3.13Å; A664-V672 HydrophobicContact CB-CG1 4.01Å; A664-V672 WeakPolarHBondContact O-CG1 3.04Å; A664-S676 VanDerWaalsContact C-OG 3.31Å; A664-S676 VanDerWaalsContact CB-OG 3.29Å; A664-S676 WeakPolarHBondContact CB-OG 3.25Å |
| 665 | A | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L661 E663 S676 F677 I701 | L661-A665 WeakPolarHBondContact O-CB 3.32Å; L661-A665 PolarHBondContact O-N 3.36Å; E663-A665 VanDerWaalsContact C-N 3.34Å; E663-A665 PolarHBondContact O-N 3.12Å; A665-S676 PolarHBondContact N-OG 3.27Å; A665-F677 HydrophobicContact CB-CD1 4.44Å; A665-F677 HydrophobicContact CB-CE1 3.84Å; A665-I701 HydrophobicContact CB-CG2 4.01Å; A665-I701 WeakPolarHBondContact O-CG2 3.39Å |
| 666 | Q | 97.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 35.9 Ų | 35.9 | 51% | 0.505 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 5.7 | 176.7 | -67.4 | 173.3 | 93.7 | 0 | 0 | 112.8 | C662 E663 A664 I701 | C662-Q666 PolarHBondContact O-NE2 3.03Å; E663-Q666 PolarHBondContact O-N 3.5Å; E663-Q666 VanDerWaalsContact O-N 3.1Å; A664-Q666 PolarHBondContact O-N 2.96Å; Q666-I701 HydrophobicContact CG-CD1 3.59Å; Q666-I701 HydrophobicContact CG-CG1 3.7Å; Q666-I701 HydrophobicContact CG-CG2 4.2Å |
| 667 | D | 97.5 | Very high | 97.9 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 10% | 0.102 | 16% | 0.163 | C | C | . | . | trans | -62.6 | 152.6 | 179.4 | -165.6 | -79.8 | 0 | 0 | 0 | 111.2 | K627 E663 A664 Q669 V672 R673 | K627-D667 IonicContact NZ-OD1 3.16Å; K627-D667 PolarHBondContact NZ-OD1 2.89Å; K627-D667 IonicContact NZ-OD2 2.82Å; K627-D667 PolarHBondContact NZ-OD2 3.5Å; E663-D667 PolarHBondContact O-N 2.79Å; A664-D667 VanDerWaalsContact O-CB 3.23Å; A664-D667 WeakPolarHBondContact O-CB 3.48Å; A664-D667 PolarHBondContact O-N 3.13Å; D667-Q669 VanDerWaalsContact C-N 3.32Å; D667-Q669 PolarHBondContact OD1-N 3.38Å; D667-V672 HydrophobicContact CB-CB 3.98Å; D667-V672 HydrophobicContact CB-CG1 3.65Å; D667-R673 VanDerWaalsContact O-CD 3.27Å; D667-R673 WeakPolarHBondContact O-CD 3.45Å; D667-R673 WeakPolarHBondContact O-CG 3.29Å; D667-R673 PolarHBondContact O-NH1 3.26Å | ||
| 668 | V | 95 | Very high | 97.9 | Very high | 118 Ų | 118 | 33.5 Ų | 33.5 | 72% | 0.715 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -68 | -31.1 | 178.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | R673 | V668-R673 VanDerWaalsContact C-NH1 3.3Å; V668-R673 PolarHBondContact O-NH1 2.72Å |
| 669 | Q | 96 | Very high | 97.9 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 35% | 0.346 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -77.5 | 127 | -178.1 | -80.3 | 178.1 | -59.7 | 0 | 0 | 111.5 | D667 D671 V672 R673 | D667-Q669 VanDerWaalsContact C-N 3.32Å; D667-Q669 PolarHBondContact OD1-N 3.38Å; Q669-D671 VanDerWaalsContact C-N 3.33Å; Q669-D671 PolarHBondContact O-N 3.33Å; Q669-V672 HydrophobicContact CB-CB 4.48Å; Q669-V672 HydrophobicContact CB-CG2 3.93Å; Q669-V672 PolarHBondContact O-N 3.44Å; Q669-R673 PolarHBondContact O-N 2.89Å |
| 670 | P | 97.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 15% | 0.149 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.5 | -42 | 178.7 | -25.6 | 34.2 | 0 | 0 | 0 | 113.8 | V672 R673 Q674 H710 V713 | P670-V672 VanDerWaalsContact C-N 3.32Å; P670-V672 PolarHBondContact O-N 3.3Å; P670-R673 CarbonylContact O-C 3.33Å; P670-R673 PolarHBondContact O-N 2.87Å; P670-R673 VanDerWaalsContact O-N 3.08Å; P670-Q674 PolarHBondContact O-N 2.91Å; P670-H710 HydrophobicContact CB-CB 4.11Å; P670-H710 WeakPolarHBondContact CG-CD2 3.35Å; P670-H710 WeakPolarHBondContact CG-NE2 3.49Å; P670-V713 HydrophobicContact CB-CG2 3.83Å; P670-V713 VanDerWaalsContact O-CG2 3.23Å; P670-V713 WeakPolarHBondContact O-CG2 3.4Å |
| 671 | D | 96.8 | Very high | 97.9 | Very high | 52 Ų | 52 | 26.5 Ų | 26.5 | 28% | 0.278 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -175.4 | -52.2 | -51.6 | 0 | 0 | 0 | 111.6 | V631 Q669 R673 Q674 S675 | V631-D671 HydrophobicContact CG2-CB 4.12Å; Q669-D671 VanDerWaalsContact C-N 3.33Å; Q669-D671 PolarHBondContact O-N 3.33Å; D671-R673 VanDerWaalsContact C-N 3.35Å; D671-R673 PolarHBondContact O-N 2.83Å; D671-Q674 WeakPolarHBondContact O-CB 3.2Å; D671-Q674 PolarHBondContact O-N 3.36Å; D671-S675 PolarHBondContact O-N 3.07Å; D671-S675 PolarHBondContact O-OG 2.76Å |
| 672 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 172.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | K627 M630 V631 L634 A664 D667 Q669 P670 S676 | K627-V672 HydrophobicContact CB-CG2 4.11Å; K627-V672 HydrophobicContact CD-CG2 4.26Å; M630-V672 HydrophobicContact CE-CB 4.09Å; M630-V672 HydrophobicContact CE-CG1 3.33Å; M630-V672 HydrophobicContact CE-CG2 3.56Å; M630-V672 HydrophobicContact CG-CG1 4.33Å; M630-V672 HydrophobicContact SD-CG1 3.92Å; V631-V672 HydrophobicContact CG2-CG2 3.88Å; L634-V672 HydrophobicContact CD1-CG1 4.35Å; A664-V672 HydrophobicContact CB-CG1 4.01Å; A664-V672 WeakPolarHBondContact O-CG1 3.04Å; D667-V672 HydrophobicContact CB-CB 3.98Å; D667-V672 HydrophobicContact CB-CG1 3.65Å; Q669-V672 HydrophobicContact CB-CB 4.48Å; Q669-V672 HydrophobicContact CB-CG2 3.93Å; Q669-V672 PolarHBondContact O-N 3.44Å; P670-V672 VanDerWaalsContact C-N 3.32Å; P670-V672 PolarHBondContact O-N 3.3Å; V672-S676 VanDerWaalsContact O-CB 3.23Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.34Å; V672-S676 PolarHBondContact O-OG 3.39Å |
| 673 | R | 98.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 16% | 0.155 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 178 | -64.1 | -161.4 | -62.5 | -91.1 | -4.1 | 111.3 | D667 V668 Q669 P670 D671 S676 F677 N705 V713 | D667-R673 VanDerWaalsContact O-CD 3.27Å; D667-R673 WeakPolarHBondContact O-CD 3.45Å; D667-R673 WeakPolarHBondContact O-CG 3.29Å; D667-R673 PolarHBondContact O-NH1 3.26Å; V668-R673 VanDerWaalsContact C-NH1 3.3Å; V668-R673 PolarHBondContact O-NH1 2.72Å; Q669-R673 PolarHBondContact O-N 2.89Å; P670-R673 CarbonylContact O-C 3.33Å; P670-R673 PolarHBondContact O-N 2.87Å; P670-R673 VanDerWaalsContact O-N 3.08Å; D671-R673 VanDerWaalsContact C-N 3.35Å; D671-R673 PolarHBondContact O-N 2.83Å; R673-S676 PolarHBondContact O-N 3.09Å; R673-F677 HydrophobicContact CB-CD2 4.46Å; R673-F677 HydrophobicContact CB-CE2 3.85Å; R673-F677 HydrophobicContact CB-CZ 4.19Å; R673-F677 WeakPolarHBondContact O-CD2 3.4Å; R673-F677 WeakPolarHBondContact O-CG 3.41Å; R673-F677 PolarHBondContact O-N 2.88Å; R673-N705 WeakPolarHBondContact CD-OD1 3.41Å; R673-N705 PolarHBondContact NE-OD1 3.35Å; R673-V713 HydrophobicContact CB-CG1 3.99Å |
| 674 | Q | 98.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 25 Ų | 25 | 22% | 0.224 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.4 | -55.1 | 176.2 | 175.6 | -174.7 | -40.3 | 0 | 0 | 111.4 | P670 D671 S676 F677 A678 S712 V713 N716 | P670-Q674 PolarHBondContact O-N 2.91Å; D671-Q674 WeakPolarHBondContact O-CB 3.2Å; D671-Q674 PolarHBondContact O-N 3.36Å; Q674-S676 VanDerWaalsContact C-N 3.35Å; Q674-F677 PolarHBondContact O-N 2.99Å; Q674-A678 PolarHBondContact O-N 3.21Å; Q674-A678 VanDerWaalsContact O-N 3.12Å; Q674-S712 PolarHBondContact OE1-OG 2.89Å; Q674-V713 HydrophobicContact CB-CG2 4.06Å; Q674-N716 VanDerWaalsContact CG-ND2 3.32Å; Q674-N716 WeakPolarHBondContact CG-ND2 3.5Å; Q674-N716 PolarHBondContact O-ND2 2.72Å |
| 675 | S | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.3 | -35.4 | 179.6 | -62 | 0 | 0 | 0 | 0 | 112.3 | V631 D635 D671 F677 A678 L679 | V631-S675 WeakPolarHBondContact CG1-OG 3.35Å; D635-S675 WeakPolarHBondContact OD1-CB 3.28Å; D635-S675 PolarHBondContact OD1-OG 2.85Å; D635-S675 PolarHBondContact OD2-OG 3.08Å; D671-S675 PolarHBondContact O-N 3.07Å; D671-S675 PolarHBondContact O-OG 2.76Å; S675-F677 VanDerWaalsContact C-N 3.31Å; S675-F677 PolarHBondContact O-N 3.45Å; S675-A678 PolarHBondContact O-N 3.34Å; S675-L679 PolarHBondContact O-N 3.07Å |
| 676 | S | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | L634 L661 A664 A665 V672 R673 Q674 L680 | L634-S676 WeakPolarHBondContact CD1-OG 3.43Å; L661-S676 WeakPolarHBondContact CD1-O 3.11Å; A664-S676 VanDerWaalsContact C-OG 3.31Å; A664-S676 VanDerWaalsContact CB-OG 3.29Å; A664-S676 WeakPolarHBondContact CB-OG 3.25Å; A665-S676 PolarHBondContact N-OG 3.27Å; V672-S676 VanDerWaalsContact O-CB 3.23Å; V672-S676 WeakPolarHBondContact O-CB 3.4Å; V672-S676 PolarHBondContact O-N 3.34Å; V672-S676 PolarHBondContact O-OG 3.39Å; R673-S676 PolarHBondContact O-N 3.09Å; Q674-S676 VanDerWaalsContact C-N 3.35Å; S676-L680 VanDerWaalsContact O-CB 3.25Å; S676-L680 WeakPolarHBondContact O-CB 3.45Å; S676-L680 PolarHBondContact O-N 3.06Å |
| 677 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -75.2 | -34.1 | 179.5 | -60.4 | -35.1 | 0 | 0 | 0 | 113 | A665 R673 Q674 S675 L680 G681 I701 L702 N705 V713 N716 A717 | A665-F677 HydrophobicContact CB-CD1 4.44Å; A665-F677 HydrophobicContact CB-CE1 3.84Å; R673-F677 HydrophobicContact CB-CD2 4.46Å; R673-F677 HydrophobicContact CB-CE2 3.85Å; R673-F677 HydrophobicContact CB-CZ 4.19Å; R673-F677 WeakPolarHBondContact O-CD2 3.4Å; R673-F677 WeakPolarHBondContact O-CG 3.41Å; R673-F677 PolarHBondContact O-N 2.88Å; Q674-F677 PolarHBondContact O-N 2.99Å; S675-F677 VanDerWaalsContact C-N 3.31Å; S675-F677 PolarHBondContact O-N 3.45Å; F677-L680 PolarHBondContact O-N 3.12Å; F677-G681 PolarHBondContact O-N 3.16Å; F677-I701 HydrophobicContact CE1-CG2 3.82Å; F677-I701 HydrophobicContact CZ-CG2 4Å; F677-L702 HydrophobicContact CD1-CD2 3.54Å; F677-L702 HydrophobicContact CE1-CD2 3.84Å; F677-L702 HydrophobicContact CG-CD2 4.03Å; F677-N705 HydrophobicContact CE2-CB 3.61Å; F677-N705 HydrophobicContact CZ-CB 3.87Å; F677-V713 HydrophobicContact CD2-CG1 3.97Å; F677-V713 HydrophobicContact CE2-CG1 3.59Å; F677-N716 HydrophobicContact CB-CB 3.7Å; F677-A717 HydrophobicContact CD2-CB 3.79Å; F677-A717 HydrophobicContact CE2-CB 4.1Å; F677-A717 HydrophobicContact CG-CB 4.25Å |
| 678 | A | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -53.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S638 Q674 S675 L680 G681 D682 W719 | S638-A678 VanDerWaalsContact OG-C 3.28Å; S638-A678 PolarHBondContact OG-O 2.6Å; Q674-A678 PolarHBondContact O-N 3.21Å; Q674-A678 VanDerWaalsContact O-N 3.12Å; S675-A678 PolarHBondContact O-N 3.34Å; A678-L680 VanDerWaalsContact C-N 3.28Å; A678-L680 PolarHBondContact O-N 3.27Å; A678-G681 PolarHBondContact O-N 2.98Å; A678-D682 PolarHBondContact O-N 3.03Å; A678-D682 VanDerWaalsContact O-N 3.15Å; A678-W719 WeakPolarHBondContact O-CZ3 3.31Å |
| 679 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.3 | -38.5 | 177.5 | 176.7 | 57.6 | 0 | 0 | 0 | 112.2 | L634 L637 S638 M641 L657 L661 S675 G681 D682 L683 | L634-L679 HydrophobicContact CD2-CD2 3.63Å; L637-L679 HydrophobicContact CB-CD1 3.81Å; L637-L679 HydrophobicContact CB-CD2 3.75Å; L637-L679 HydrophobicContact CB-CG 4.44Å; L637-L679 HydrophobicContact CD1-CD2 3.99Å; S638-L679 WeakPolarHBondContact OG-CA 3.38Å; S638-L679 PolarHBondContact OG-N 3.09Å; M641-L679 HydrophobicContact CG-CD1 3.9Å; L657-L679 HydrophobicContact CD1-CD2 4.16Å; L661-L679 HydrophobicContact CD1-CB 4.3Å; L661-L679 HydrophobicContact CD1-CD2 4.04Å; L661-L679 HydrophobicContact CD1-CG 4.25Å; L661-L679 HydrophobicContact CD2-CG 4.28Å; S675-L679 PolarHBondContact O-N 3.07Å; L679-G681 PolarHBondContact O-N 3.46Å; L679-D682 PolarHBondContact O-N 3Å; L679-L683 HydrophobicContact CD1-CB 4.31Å; L679-L683 WeakPolarHBondContact O-CB 3.39Å; L679-L683 PolarHBondContact O-N 3.48Å |
| 680 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | -177.6 | 175.3 | 60.3 | 0 | 0 | 0 | 112.8 | L661 S676 F677 A678 D682 T684 I691 F698 L702 A720 I724 | L661-L680 HydrophobicContact CD2-CB 4.14Å; L661-L680 HydrophobicContact CD2-CD1 4.1Å; S676-L680 VanDerWaalsContact O-CB 3.25Å; S676-L680 WeakPolarHBondContact O-CB 3.45Å; S676-L680 PolarHBondContact O-N 3.06Å; F677-L680 PolarHBondContact O-N 3.12Å; A678-L680 VanDerWaalsContact C-N 3.28Å; A678-L680 PolarHBondContact O-N 3.27Å; L680-D682 VanDerWaalsContact C-N 3.33Å; L680-T684 VanDerWaalsContact O-CB 3.3Å; L680-T684 WeakPolarHBondContact O-CB 3.44Å; L680-T684 PolarHBondContact O-N 3.37Å; L680-T684 PolarHBondContact O-OG1 2.95Å; L680-I691 HydrophobicContact CD1-CD1 4.01Å; L680-I691 HydrophobicContact CD1-CG1 4.49Å; L680-I691 HydrophobicContact CD1-CG2 4.17Å; L680-F698 HydrophobicContact CD1-CD1 3.77Å; L680-F698 HydrophobicContact CD1-CD2 4.19Å; L680-F698 HydrophobicContact CD1-CE1 3.83Å; L680-F698 HydrophobicContact CD1-CE2 4.25Å; L680-F698 HydrophobicContact CD1-CG 3.96Å; L680-F698 HydrophobicContact CD1-CZ 4.08Å; L680-F698 HydrophobicContact CD2-CB 4.16Å; L680-F698 HydrophobicContact CD2-CD1 3.57Å; L680-F698 HydrophobicContact CD2-CE1 4.2Å; L680-F698 HydrophobicContact CD2-CG 4.05Å; L680-F698 HydrophobicContact CG-CD1 4.33Å; L680-L702 HydrophobicContact CD2-CD1 3.87Å; L680-L702 HydrophobicContact CD2-CD2 4.15Å; L680-L702 HydrophobicContact CD2-CG 4.18Å; L680-A720 HydrophobicContact CD2-CB 4.37Å; L680-A720 HydrophobicContact CG-CB 4.42Å; L680-I724 HydrophobicContact CD2-CD1 4.41Å; L680-I724 HydrophobicContact CG-CD1 4.49Å |
| 681 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.7 | -25.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F677 A678 L679 T684 K685 | F677-G681 PolarHBondContact O-N 3.16Å; A678-G681 PolarHBondContact O-N 2.98Å; L679-G681 PolarHBondContact O-N 3.46Å; G681-T684 CarbonylContact O-C 3.31Å; G681-T684 WeakPolarHBondContact O-CB 3.3Å; G681-T684 PolarHBondContact O-N 2.91Å; G681-K685 WeakPolarHBondContact O-CB 3.38Å; G681-K685 PolarHBondContact O-N 2.88Å |
| 682 | D | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.3 | -42.3 | 179.9 | -83.1 | -31.7 | 0 | 0 | 0 | 108.9 | S638 M641 A678 L679 L680 T684 K685 A686 W719 | S638-D682 PolarHBondContact OG-OD2 3.4Å; M641-D682 HydrophobicContact CB-CB 3.82Å; A678-D682 PolarHBondContact O-N 3.03Å; A678-D682 VanDerWaalsContact O-N 3.15Å; L679-D682 PolarHBondContact O-N 3Å; L680-D682 VanDerWaalsContact C-N 3.33Å; D682-T684 VanDerWaalsContact C-N 3.27Å; D682-T684 PolarHBondContact O-N 3.23Å; D682-K685 PolarHBondContact O-N 2.87Å; D682-A686 VanDerWaalsContact O-CB 3.27Å; D682-A686 WeakPolarHBondContact O-CB 3.48Å; D682-A686 PolarHBondContact O-N 2.82Å; D682-W719 HydrophobicContact CB-CH2 4.15Å; D682-W719 VanDerWaalsContact OD1-CH2 3.25Å; D682-W719 WeakPolarHBondContact OD1-CH2 3.29Å; D682-W719 WeakPolarHBondContact OD1-CZ2 3.47Å |
| 683 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 169.9 | -174.3 | 60.7 | 0 | 0 | 0 | 111.8 | M641 V652 L657 V658 L661 L679 C687 I691 | M641-L683 HydrophobicContact CG-CB 4.28Å; M641-L683 HydrophobicContact CG-CD1 4.24Å; M641-L683 HydrophobicContact SD-CD1 3.63Å; V652-L683 HydrophobicContact CG1-CD1 4.09Å; V652-L683 HydrophobicContact CG2-CD1 3.72Å; L657-L683 HydrophobicContact CD2-CD2 4.29Å; V658-L683 HydrophobicContact CG2-CD2 4.33Å; L661-L683 HydrophobicContact CD2-CD2 3.88Å; L679-L683 HydrophobicContact CD1-CB 4.31Å; L679-L683 WeakPolarHBondContact O-CB 3.39Å; L679-L683 PolarHBondContact O-N 3.48Å; L683-C687 HydrophobicContact CD1-CB 3.79Å; L683-C687 CarbonylContact O-C 3.56Å; L683-C687 VanDerWaalsContact O-C 3.31Å; L683-C687 VanDerWaalsContact O-CA 3.31Å; L683-C687 WeakPolarHBondContact O-CA 3.26Å; L683-C687 WeakPolarHBondContact O-CB 3.39Å; L683-C687 PolarHBondContact O-N 3.21Å; L683-I691 HydrophobicContact CD2-CD1 3.7Å; L683-I691 HydrophobicContact CD2-CG1 4.5Å; L683-I691 HydrophobicContact CG-CD1 3.99Å; L683-I691 HydrophobicContact CG-CG1 4.25Å |
| 684 | T | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67 | -46.2 | 172.8 | -64 | 0 | 0 | 0 | 0 | 111 | L680 G681 D682 A686 F688 E723 I724 Q727 | L680-T684 VanDerWaalsContact O-CB 3.3Å; L680-T684 WeakPolarHBondContact O-CB 3.44Å; L680-T684 PolarHBondContact O-N 3.37Å; L680-T684 PolarHBondContact O-OG1 2.95Å; G681-T684 CarbonylContact O-C 3.31Å; G681-T684 WeakPolarHBondContact O-CB 3.3Å; G681-T684 PolarHBondContact O-N 2.91Å; D682-T684 VanDerWaalsContact C-N 3.27Å; D682-T684 PolarHBondContact O-N 3.23Å; T684-A686 VanDerWaalsContact C-N 3.31Å; T684-A686 PolarHBondContact O-N 3.41Å; T684-F688 HydrophobicContact CG2-CD2 3.69Å; T684-F688 HydrophobicContact CG2-CE2 4.27Å; T684-F688 WeakPolarHBondContact O-CA 3.45Å; T684-F688 WeakPolarHBondContact O-CB 3.28Å; T684-F688 PolarHBondContact O-N 3Å; T684-E723 HydrophobicContact CG2-CB 4.46Å; T684-I724 HydrophobicContact CG2-CB 4.23Å; T684-I724 HydrophobicContact CG2-CG1 3.7Å; T684-Q727 HydrophobicContact CG2-CB 3.99Å; T684-Q727 HydrophobicContact CG2-CG 3.74Å |
| 685 | K | 96.5 | Very high | 97.4 | Very high | 112 Ų | 112 | 29.9 Ų | 29.9 | 49% | 0.487 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 177.9 | -173.6 | 177.4 | 179.6 | -178.9 | 0 | 111.9 | G681 D682 | G681-K685 WeakPolarHBondContact O-CB 3.38Å; G681-K685 PolarHBondContact O-N 2.88Å; D682-K685 PolarHBondContact O-N 2.87Å |
| 686 | A | 96.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 12% | 0.124 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -86.7 | -40.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M641 D682 T684 | M641-A686 HydrophobicContact CB-CB 4.25Å; M641-A686 HydrophobicContact SD-CB 4.32Å; D682-A686 VanDerWaalsContact O-CB 3.27Å; D682-A686 WeakPolarHBondContact O-CB 3.48Å; D682-A686 PolarHBondContact O-N 2.82Å; T684-A686 VanDerWaalsContact C-N 3.31Å; T684-A686 PolarHBondContact O-N 3.41Å |
| 687 | C | 97 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -142.7 | 41.5 | -162.6 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | E649 L683 A689 Y690 | E649-C687 HydrophobicContact CG-CB 4.44Å; L683-C687 HydrophobicContact CD1-CB 3.79Å; L683-C687 CarbonylContact O-C 3.56Å; L683-C687 VanDerWaalsContact O-C 3.31Å; L683-C687 VanDerWaalsContact O-CA 3.31Å; L683-C687 WeakPolarHBondContact O-CA 3.26Å; L683-C687 WeakPolarHBondContact O-CB 3.39Å; L683-C687 PolarHBondContact O-N 3.21Å; C687-A689 PolarHBondContact O-N 3.04Å; C687-Y690 HydrophobicContact CB-CD2 4.01Å; C687-Y690 WeakPolarHBondContact O-CD2 3.31Å; C687-Y690 PolarHBondContact O-N 2.81Å; C687-Y690 VanDerWaalsContact O-N 3.1Å |
| 688 | F | 97.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -49.7 | -35.3 | -172.5 | -178 | -128 | 0 | 0 | 0 | 115.5 | T684 Y690 I691 Q692 I724 Q727 L728 | T684-F688 HydrophobicContact CG2-CD2 3.69Å; T684-F688 HydrophobicContact CG2-CE2 4.27Å; T684-F688 WeakPolarHBondContact O-CA 3.45Å; T684-F688 WeakPolarHBondContact O-CB 3.28Å; T684-F688 PolarHBondContact O-N 3Å; F688-Y690 PolarHBondContact O-N 3.36Å; F688-I691 HydrophobicContact CD2-CB 4.42Å; F688-I691 PolarHBondContact O-N 3.03Å; F688-Q692 HydrophobicContact CE1-CB 4.3Å; F688-Q692 HydrophobicContact CE1-CG 4.28Å; F688-Q692 HydrophobicContact CE2-CB 4.4Å; F688-Q692 HydrophobicContact CZ-CB 4.17Å; F688-Q692 HydrophobicContact CZ-CG 4.19Å; F688-Q692 PolarHBondContact O-N 2.96Å; F688-I724 HydrophobicContact CE2-CG2 4.4Å; F688-Q727 HydrophobicContact CB-CB 4.22Å; F688-Q727 HydrophobicContact CB-CG 4.3Å; F688-Q727 HydrophobicContact CD1-CB 3.78Å; F688-Q727 HydrophobicContact CD2-CB 3.7Å; F688-Q727 HydrophobicContact CD2-CG 4.41Å; F688-Q727 HydrophobicContact CE1-CB 3.97Å; F688-Q727 WeakPolarHBondContact CE1-O 3.38Å; F688-Q727 HydrophobicContact CE2-CB 3.9Å; F688-Q727 HydrophobicContact CG-CB 3.63Å; F688-Q727 HydrophobicContact CG-CG 4.24Å; F688-Q727 HydrophobicContact CZ-CB 4.02Å; F688-L728 HydrophobicContact CZ-CB 3.98Å; F688-L728 HydrophobicContact CZ-CD1 3.9Å |
| 689 | A | 96.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 52% | 0.521 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.4 | -26.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C687 P693 | C687-A689 PolarHBondContact O-N 3.04Å; A689-P693 WeakPolarHBondContact O-CD 3.49Å |
| 690 | Y | 96.3 | Very high | 97.2 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 31% | 0.306 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -90.7 | -20.6 | 179.5 | -56.8 | -79.7 | 0 | 0 | 0 | 113.4 | E649 V652 S653 C687 F688 | E649-Y690 HydrophobicContact CB-CE2 4.1Å; E649-Y690 HydrophobicContact CG-CE2 4.07Å; V652-Y690 HydrophobicContact CG1-CD2 4Å; V652-Y690 HydrophobicContact CG1-CG 3.92Å; S653-Y690 WeakPolarHBondContact CB-OH 3.42Å; C687-Y690 HydrophobicContact CB-CD2 4.01Å; C687-Y690 WeakPolarHBondContact O-CD2 3.31Å; C687-Y690 PolarHBondContact O-N 2.81Å; C687-Y690 VanDerWaalsContact O-N 3.1Å; F688-Y690 PolarHBondContact O-N 3.36Å |
| 691 | I | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -83.4 | -39.1 | 173.8 | -60 | -55.4 | 0 | 0 | 0 | 111 | V658 L680 L683 F688 P693 Q694 I695 F698 | V658-I691 HydrophobicContact CG1-CD1 3.94Å; V658-I691 HydrophobicContact CG2-CD1 4.13Å; L680-I691 HydrophobicContact CD1-CD1 4.01Å; L680-I691 HydrophobicContact CD1-CG1 4.49Å; L680-I691 HydrophobicContact CD1-CG2 4.17Å; L683-I691 HydrophobicContact CD2-CD1 3.7Å; L683-I691 HydrophobicContact CD2-CG1 4.5Å; L683-I691 HydrophobicContact CG-CD1 3.99Å; L683-I691 HydrophobicContact CG-CG1 4.25Å; F688-I691 HydrophobicContact CD2-CB 4.42Å; F688-I691 PolarHBondContact O-N 3.03Å; I691-P693 VanDerWaalsContact C-N 3.31Å; I691-P693 VanDerWaalsContact O-N 3.1Å; I691-Q694 PolarHBondContact O-N 3.44Å; I691-I695 HydrophobicContact CG2-CD1 4.02Å; I691-I695 PolarHBondContact O-N 3.4Å; I691-F698 HydrophobicContact CD1-CE2 4.29Å; I691-F698 HydrophobicContact CG2-CD2 4.05Å; I691-F698 HydrophobicContact CG2-CE2 4.34Å |
| 692 | Q | 96.2 | Very high | 97.1 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -47.6 | -41.6 | -174.6 | -169.8 | -176.9 | 12.2 | 0 | 0 | 114.5 | F688 Q694 I695 | F688-Q692 HydrophobicContact CE1-CB 4.3Å; F688-Q692 HydrophobicContact CE1-CG 4.28Å; F688-Q692 HydrophobicContact CE2-CB 4.4Å; F688-Q692 HydrophobicContact CZ-CB 4.17Å; F688-Q692 HydrophobicContact CZ-CG 4.19Å; F688-Q692 PolarHBondContact O-N 2.96Å; Q692-Q694 VanDerWaalsContact C-N 3.26Å; Q692-Q694 PolarHBondContact O-N 3.12Å; Q692-I695 WeakPolarHBondContact O-CB 3.24Å; Q692-I695 VanDerWaalsContact O-CG2 3.22Å; Q692-I695 WeakPolarHBondContact O-CG2 3.37Å; Q692-I695 PolarHBondContact O-N 3.18Å |
| 693 | P | 96.4 | Very high | 97.1 | Very high | 106 Ų | 106 | 38.7 Ų | 38.7 | 69% | 0.688 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -64.1 | -26.7 | 179.9 | -23.6 | 35.7 | 0 | 0 | 0 | 114.6 | A689 I691 | A689-P693 WeakPolarHBondContact O-CD 3.49Å; I691-P693 VanDerWaalsContact C-N 3.31Å; I691-P693 VanDerWaalsContact O-N 3.1Å |
| 694 | Q | 95.7 | Very high | 97 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -106.8 | 12.6 | -176.8 | -66.4 | 171.1 | 45.6 | 0 | 0 | 111.9 | I691 Q692 G696 Q697 F698 | I691-Q694 PolarHBondContact O-N 3.44Å; Q692-Q694 VanDerWaalsContact C-N 3.26Å; Q692-Q694 PolarHBondContact O-N 3.12Å; Q694-G696 VanDerWaalsContact C-N 3.31Å; Q694-G696 PolarHBondContact O-N 2.61Å; Q694-Q697 WeakPolarHBondContact O-CB 3.43Å; Q694-Q697 PolarHBondContact O-N 3.39Å; Q694-F698 HydrophobicContact CB-CD2 4.15Å; Q694-F698 HydrophobicContact CB-CE2 3.98Å; Q694-F698 PolarHBondContact O-N 3.25Å |
| 695 | I | 96.1 | Very high | 97 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | -163.8 | -169 | 58 | 0 | 0 | 0 | 114.2 | I691 Q692 Q697 F698 M699 I724 L728 F735 | I691-I695 HydrophobicContact CG2-CD1 4.02Å; I691-I695 PolarHBondContact O-N 3.4Å; Q692-I695 WeakPolarHBondContact O-CB 3.24Å; Q692-I695 VanDerWaalsContact O-CG2 3.22Å; Q692-I695 WeakPolarHBondContact O-CG2 3.37Å; Q692-I695 PolarHBondContact O-N 3.18Å; I695-Q697 VanDerWaalsContact C-N 3.26Å; I695-Q697 PolarHBondContact O-N 3.12Å; I695-F698 PolarHBondContact O-N 3.43Å; I695-M699 HydrophobicContact CD1-CE 3.88Å; I695-M699 HydrophobicContact CD1-CG 4.32Å; I695-M699 HydrophobicContact CG1-CE 4.27Å; I695-M699 HydrophobicContact CG1-CG 4.17Å; I695-M699 WeakPolarHBondContact O-CB 3.43Å; I695-M699 VanDerWaalsContact O-CG 3.24Å; I695-M699 WeakPolarHBondContact O-CG 3.45Å; I695-M699 PolarHBondContact O-N 2.95Å; I695-I724 HydrophobicContact CD1-CB 4.49Å; I695-I724 HydrophobicContact CD1-CD1 4.03Å; I695-I724 HydrophobicContact CD1-CG1 4.26Å; I695-I724 HydrophobicContact CD1-CG2 3.46Å; I695-I724 VanDerWaalsContact CD1-CG2 3.46Å; I695-I724 HydrophobicContact CG1-CG2 4.19Å; I695-L728 HydrophobicContact CG1-CD2 4.3Å; I695-F735 HydrophobicContact CG2-CZ 4.49Å |
| 696 | G | 96.6 | Very high | 97 | Very high | 30 Ų | 30 | 40 Ų | 40 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -35.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q694 T700 | Q694-G696 VanDerWaalsContact C-N 3.31Å; Q694-G696 PolarHBondContact O-N 2.61Å; G696-T700 PolarHBondContact O-N 2.84Å; G696-T700 PolarHBondContact O-OG1 2.74Å |
| 697 | Q | 97.3 | Very high | 96.5 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.1 | -49.2 | 177.6 | -173.2 | 174 | 5 | 0 | 0 | 110.7 | C662 Q694 I695 M699 T700 I701 | C662-Q697 PolarHBondContact SG-NE2 3.12Å; C662-Q697 PolarHBondContact SG-OE1 2.73Å; Q694-Q697 WeakPolarHBondContact O-CB 3.43Å; Q694-Q697 PolarHBondContact O-N 3.39Å; I695-Q697 VanDerWaalsContact C-N 3.26Å; I695-Q697 PolarHBondContact O-N 3.12Å; Q697-M699 VanDerWaalsContact C-N 3.31Å; Q697-M699 PolarHBondContact O-N 3.42Å; Q697-T700 PolarHBondContact O-N 3.25Å; Q697-I701 HydrophobicContact CG-CD1 3.97Å; Q697-I701 VanDerWaalsContact O-CG1 3.32Å; Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 3.36Å |
| 698 | F | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 176.2 | -75.3 | -63.2 | 0 | 0 | 0 | 112.3 | V658 L661 C662 L680 I691 Q694 I695 T700 I701 L702 | V658-F698 HydrophobicContact CG1-CE2 3.97Å; V658-F698 HydrophobicContact CG1-CZ 4.18Å; L661-F698 HydrophobicContact CG-CE1 4.27Å; L661-F698 HydrophobicContact CG-CZ 4.44Å; C662-F698 HydrophobicContact CB-CE1 3.88Å; C662-F698 HydrophobicContact CB-CZ 3.75Å; L680-F698 HydrophobicContact CD1-CD1 3.77Å; L680-F698 HydrophobicContact CD1-CD2 4.19Å; L680-F698 HydrophobicContact CD1-CE1 3.83Å; L680-F698 HydrophobicContact CD1-CE2 4.25Å; L680-F698 HydrophobicContact CD1-CG 3.96Å; L680-F698 HydrophobicContact CD1-CZ 4.08Å; L680-F698 HydrophobicContact CD2-CB 4.16Å; L680-F698 HydrophobicContact CD2-CD1 3.57Å; L680-F698 HydrophobicContact CD2-CE1 4.2Å; L680-F698 HydrophobicContact CD2-CG 4.05Å; L680-F698 HydrophobicContact CG-CD1 4.33Å; I691-F698 HydrophobicContact CD1-CE2 4.29Å; I691-F698 HydrophobicContact CG2-CD2 4.05Å; I691-F698 HydrophobicContact CG2-CE2 4.34Å; Q694-F698 HydrophobicContact CB-CD2 4.15Å; Q694-F698 HydrophobicContact CB-CE2 3.98Å; Q694-F698 PolarHBondContact O-N 3.25Å; I695-F698 PolarHBondContact O-N 3.43Å; F698-T700 VanDerWaalsContact C-N 3.32Å; F698-T700 PolarHBondContact O-N 3.38Å; F698-I701 PolarHBondContact O-N 2.86Å; F698-L702 WeakPolarHBondContact O-CB 3.37Å; F698-L702 VanDerWaalsContact O-CG 3.25Å; F698-L702 WeakPolarHBondContact O-CG 3.31Å; F698-L702 PolarHBondContact O-N 3.05Å |
| 699 | M | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 177 | -74.6 | -70.7 | 157.2 | 0 | 0 | 112.7 | I695 Q697 A703 I724 M732 F735 F739 | I695-M699 HydrophobicContact CD1-CE 3.88Å; I695-M699 HydrophobicContact CD1-CG 4.32Å; I695-M699 HydrophobicContact CG1-CE 4.27Å; I695-M699 HydrophobicContact CG1-CG 4.17Å; I695-M699 WeakPolarHBondContact O-CB 3.43Å; I695-M699 VanDerWaalsContact O-CG 3.24Å; I695-M699 WeakPolarHBondContact O-CG 3.45Å; I695-M699 PolarHBondContact O-N 2.95Å; Q697-M699 VanDerWaalsContact C-N 3.31Å; Q697-M699 PolarHBondContact O-N 3.42Å; M699-A703 WeakPolarHBondContact O-CB 3.29Å; M699-A703 PolarHBondContact O-N 3.46Å; M699-I724 HydrophobicContact CE-CB 3.54Å; M699-I724 HydrophobicContact CE-CD1 3.72Å; M699-I724 HydrophobicContact CE-CG1 4.18Å; M699-I724 HydrophobicContact CE-CG2 3.05Å; M699-M732 HydrophobicContact CE-CE 4.19Å; M699-M732 HydrophobicContact CE-SD 3.95Å; M699-M732 HydrophobicContact SD-CE 4.04Å; M699-M732 HydrophobicContact SD-SD 4.22Å; M699-F735 HydrophobicContact CB-CD1 3.73Å; M699-F735 HydrophobicContact CB-CE1 4.11Å; M699-F735 HydrophobicContact CB-CG 4.15Å; M699-F735 HydrophobicContact CG-CB 4.3Å; M699-F735 HydrophobicContact CG-CD1 3.9Å; M699-F735 HydrophobicContact CG-CD2 4.17Å; M699-F735 HydrophobicContact CG-CE1 4.25Å; M699-F735 HydrophobicContact CG-CE2 4.5Å; M699-F735 HydrophobicContact CG-CG 3.86Å; M699-F735 HydrophobicContact SD-CB 4.17Å; M699-F735 HydrophobicContact SD-CG 4.32Å; M699-F739 HydrophobicContact CB-CZ 4.2Å; M699-F739 HydrophobicContact CG-CZ 4.44Å; M699-F739 HydrophobicContact SD-CE2 3.42Å; M699-F739 WeakPolarHBondContact SD-CE2 3.49Å; M699-F739 HydrophobicContact SD-CZ 3.31Å; M699-F739 WeakPolarHBondContact SD-CZ 3.46Å |
| 700 | T | 97.6 | Very high | 95.7 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | G696 Q697 F698 A703 N704 | G696-T700 PolarHBondContact O-N 2.84Å; G696-T700 PolarHBondContact O-OG1 2.74Å; Q697-T700 PolarHBondContact O-N 3.25Å; F698-T700 VanDerWaalsContact C-N 3.32Å; F698-T700 PolarHBondContact O-N 3.38Å; T700-A703 PolarHBondContact O-N 3.06Å; T700-N704 VanDerWaalsContact O-CG 3.27Å; T700-N704 PolarHBondContact O-N 2.98Å; T700-N704 VanDerWaalsContact O-N 3.15Å; T700-N704 PolarHBondContact O-ND2 2.93Å |
| 701 | I | 98.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 178 | -64.8 | 163.3 | 0 | 0 | 0 | 110.8 | A665 Q666 F677 Q697 F698 N704 N705 | A665-I701 HydrophobicContact CB-CG2 4.01Å; A665-I701 WeakPolarHBondContact O-CG2 3.39Å; Q666-I701 HydrophobicContact CG-CD1 3.59Å; Q666-I701 HydrophobicContact CG-CG1 3.7Å; Q666-I701 HydrophobicContact CG-CG2 4.2Å; F677-I701 HydrophobicContact CE1-CG2 3.82Å; F677-I701 HydrophobicContact CZ-CG2 4Å; Q697-I701 HydrophobicContact CG-CD1 3.97Å; Q697-I701 VanDerWaalsContact O-CG1 3.32Å; Q697-I701 WeakPolarHBondContact O-CG1 3.36Å; Q697-I701 PolarHBondContact O-N 3.36Å; F698-I701 PolarHBondContact O-N 2.86Å; I701-N704 PolarHBondContact O-N 3.03Å; I701-N705 PolarHBondContact O-N 2.88Å; I701-N705 PolarHBondContact O-ND2 3.32Å |
| 702 | L | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 179 | -70.3 | 166.9 | 0 | 0 | 0 | 111.6 | F677 L680 F698 N704 N705 L706 A717 A720 I721 I724 | F677-L702 HydrophobicContact CD1-CD2 3.54Å; F677-L702 HydrophobicContact CE1-CD2 3.84Å; F677-L702 HydrophobicContact CG-CD2 4.03Å; L680-L702 HydrophobicContact CD2-CD1 3.87Å; L680-L702 HydrophobicContact CD2-CD2 4.15Å; L680-L702 HydrophobicContact CD2-CG 4.18Å; F698-L702 WeakPolarHBondContact O-CB 3.37Å; F698-L702 VanDerWaalsContact O-CG 3.25Å; F698-L702 WeakPolarHBondContact O-CG 3.31Å; F698-L702 PolarHBondContact O-N 3.05Å; L702-N704 VanDerWaalsContact C-N 3.27Å; L702-N704 PolarHBondContact O-N 3.45Å; L702-N705 PolarHBondContact O-N 3.29Å; L702-L706 PolarHBondContact O-N 2.94Å; L702-A717 HydrophobicContact CD2-CB 3.85Å; L702-A720 HydrophobicContact CD1-CB 4.29Å; L702-A720 HydrophobicContact CD2-CB 3.89Å; L702-I721 HydrophobicContact CB-CD1 4.01Å; L702-I721 HydrophobicContact CB-CG1 3.84Å; L702-I721 HydrophobicContact CD1-CG1 3.89Å; L702-I721 HydrophobicContact CG-CG1 4.33Å; L702-I724 HydrophobicContact CD1-CD1 3.65Å |
| 703 | A | 97.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 49.3 Ų | 49.3 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M699 T700 N705 L706 L738 F739 | M699-A703 WeakPolarHBondContact O-CB 3.29Å; M699-A703 PolarHBondContact O-N 3.46Å; T700-A703 PolarHBondContact O-N 3.06Å; A703-N705 PolarHBondContact O-N 3.37Å; A703-L706 PolarHBondContact O-N 3.17Å; A703-L738 HydrophobicContact CB-CB 4.05Å; A703-L738 HydrophobicContact CB-CD1 4.49Å; A703-F739 HydrophobicContact CB-CD1 4.2Å; A703-F739 HydrophobicContact CB-CE1 3.67Å |
| 704 | N | 96.7 | Very high | 95.7 | Very high | 124 Ų | 124 | 44.4 Ų | 44.4 | 66% | 0.663 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.4 | -16.8 | 178.6 | -67.5 | -20.7 | 0 | 0 | 0 | 113.6 | T700 I701 L702 | T700-N704 VanDerWaalsContact O-CG 3.27Å; T700-N704 PolarHBondContact O-N 2.98Å; T700-N704 VanDerWaalsContact O-N 3.15Å; T700-N704 PolarHBondContact O-ND2 2.93Å; I701-N704 PolarHBondContact O-N 3.03Å; L702-N704 VanDerWaalsContact C-N 3.27Å; L702-N704 PolarHBondContact O-N 3.45Å |
| 705 | N | 97.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -105.1 | -4.7 | -177.6 | -78.6 | -87.7 | 0 | 0 | 0 | 113.9 | R673 F677 I701 L702 A703 S707 S708 V713 A717 | R673-N705 WeakPolarHBondContact CD-OD1 3.41Å; R673-N705 PolarHBondContact NE-OD1 3.35Å; F677-N705 HydrophobicContact CE2-CB 3.61Å; F677-N705 HydrophobicContact CZ-CB 3.87Å; I701-N705 PolarHBondContact O-N 2.88Å; I701-N705 PolarHBondContact O-ND2 3.32Å; L702-N705 PolarHBondContact O-N 3.29Å; A703-N705 PolarHBondContact O-N 3.37Å; N705-S707 VanDerWaalsContact C-N 3.31Å; N705-S707 PolarHBondContact O-N 2.89Å; N705-S708 VanDerWaalsContact O-CB 3.22Å; N705-S708 WeakPolarHBondContact O-CB 3.37Å; N705-S708 PolarHBondContact O-N 3.01Å; N705-V713 HydrophobicContact CB-CG1 4.2Å; N705-A717 HydrophobicContact CB-CB 4.2Å |
| 706 | L | 95.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -40.1 | 176.6 | -76.7 | -174.1 | 0 | 0 | 0 | 112.8 | L702 A703 S708 S714 I718 I721 F739 P742 L743 I746 | L702-L706 PolarHBondContact O-N 2.94Å; A703-L706 PolarHBondContact O-N 3.17Å; L706-S708 VanDerWaalsContact C-N 3.33Å; L706-S714 WeakPolarHBondContact O-CB 3.5Å; L706-S714 PolarHBondContact O-OG 3.2Å; L706-I718 HydrophobicContact CD2-CB 4.38Å; L706-I718 HydrophobicContact CD2-CD1 4.1Å; L706-I718 HydrophobicContact CD2-CG1 3.22Å; L706-I721 HydrophobicContact CD1-CD1 4.02Å; L706-I721 HydrophobicContact CD2-CD1 3.62Å; L706-I721 HydrophobicContact CG-CD1 3.99Å; L706-F739 HydrophobicContact CD1-CB 4.28Å; L706-F739 HydrophobicContact CD1-CD1 3.69Å; L706-F739 HydrophobicContact CD1-CG 4.46Å; L706-P742 HydrophobicContact CB-CB 4.02Å; L706-P742 HydrophobicContact CD1-CB 3.67Å; L706-P742 HydrophobicContact CD1-CG 4.27Å; L706-L743 HydrophobicContact CD1-CG 4.49Å; L706-L743 HydrophobicContact CD2-CD2 4.36Å; L706-I746 HydrophobicContact CB-CD1 4.37Å; L706-I746 WeakPolarHBondContact O-CD1 3.23Å |
| 707 | S | 87.5 | Confident | 96 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 48% | 0.476 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 20.9 | 179 | -55.6 | 0 | 0 | 0 | 0 | 113.2 | N705 E709 | N705-S707 VanDerWaalsContact C-N 3.31Å; N705-S707 PolarHBondContact O-N 2.89Å; S707-E709 PolarHBondContact O-N 2.97Å |
| 708 | S | 89.9 | Confident | 96 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 21% | 0.205 | C | C | . | . | trans | -54.5 | 137.6 | 175.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | N705 L706 H710 | N705-S708 VanDerWaalsContact O-CB 3.22Å; N705-S708 WeakPolarHBondContact O-CB 3.37Å; N705-S708 PolarHBondContact O-N 3.01Å; L706-S708 VanDerWaalsContact C-N 3.33Å; S708-H710 PolarHBondContact O-N 3.29Å; S708-H710 PolarHBondContact OG-N 3.4Å; S708-H710 VanDerWaalsContact OG-N 3.1Å; S708-H710 PolarHBondContact OG-O 3.34Å | ||
| 709 | E | 90.5 | Very high | 96 | Very high | 186 Ų | 186 | 39.3 Ų | 39.3 | 87% | 0.869 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -63.3 | -26.4 | 171.9 | -63.2 | -177.6 | 172.8 | 0 | 0 | 111.4 | S707 I711 | S707-E709 PolarHBondContact O-N 2.97Å; E709-I711 PolarHBondContact O-N 3.28Å |
| 710 | H | 93.5 | Very high | 96 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 40% | 0.403 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -84.6 | 106.7 | 173 | -55.3 | -85.3 | 0 | 0 | 0 | 110.1 | P670 S708 S712 V713 S714 | P670-H710 HydrophobicContact CB-CB 4.11Å; P670-H710 WeakPolarHBondContact CG-CD2 3.35Å; P670-H710 WeakPolarHBondContact CG-NE2 3.49Å; S708-H710 PolarHBondContact O-N 3.29Å; S708-H710 PolarHBondContact OG-N 3.4Å; S708-H710 VanDerWaalsContact OG-N 3.1Å; S708-H710 PolarHBondContact OG-O 3.34Å; H710-S712 VanDerWaalsContact C-N 3.29Å; H710-S712 PolarHBondContact O-N 3.17Å; H710-V713 HydrophobicContact CB-CB 4.24Å; H710-V713 HydrophobicContact CB-CG2 3.78Å; H710-V713 WeakPolarHBondContact O-CB 3.44Å; H710-V713 PolarHBondContact O-N 2.99Å; H710-S714 PolarHBondContact O-N 2.87Å |
| 711 | I | 93.9 | Very high | 96.1 | Very high | 77 Ų | 77 | 35.9 Ų | 35.9 | 40% | 0.395 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.4 | -38 | -175.5 | -68.7 | 165.6 | 0 | 0 | 0 | 112.4 | E709 V713 S714 N715 P753 L756 | E709-I711 PolarHBondContact O-N 3.28Å; I711-V713 PolarHBondContact O-N 3.38Å; I711-S714 PolarHBondContact O-N 3.13Å; I711-N715 WeakPolarHBondContact O-CB 3.35Å; I711-N715 PolarHBondContact O-N 2.9Å; I711-P753 HydrophobicContact CD1-CG 3.98Å; I711-P753 HydrophobicContact CG2-CG 3.93Å; I711-L756 HydrophobicContact CG2-CB 4.29Å; I711-L756 HydrophobicContact CG2-CD2 3.79Å |
| 712 | S | 95.3 | Very high | 96 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 179.4 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | Q674 H710 N715 N716 | Q674-S712 PolarHBondContact OE1-OG 2.89Å; H710-S712 VanDerWaalsContact C-N 3.29Å; H710-S712 PolarHBondContact O-N 3.17Å; S712-N715 PolarHBondContact O-N 3.12Å; S712-N716 PolarHBondContact O-N 3.28Å |
| 713 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.5 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | P670 R673 Q674 F677 N705 H710 I711 N715 N716 A717 | P670-V713 HydrophobicContact CB-CG2 3.83Å; P670-V713 VanDerWaalsContact O-CG2 3.23Å; P670-V713 WeakPolarHBondContact O-CG2 3.4Å; R673-V713 HydrophobicContact CB-CG1 3.99Å; Q674-V713 HydrophobicContact CB-CG2 4.06Å; F677-V713 HydrophobicContact CD2-CG1 3.97Å; F677-V713 HydrophobicContact CE2-CG1 3.59Å; N705-V713 HydrophobicContact CB-CG1 4.2Å; H710-V713 HydrophobicContact CB-CB 4.24Å; H710-V713 HydrophobicContact CB-CG2 3.78Å; H710-V713 WeakPolarHBondContact O-CB 3.44Å; H710-V713 PolarHBondContact O-N 2.99Å; I711-V713 PolarHBondContact O-N 3.38Å; V713-N715 VanDerWaalsContact C-N 3.3Å; V713-N715 PolarHBondContact O-N 3.37Å; V713-N716 PolarHBondContact O-N 3.01Å; V713-A717 WeakPolarHBondContact O-CB 3.45Å; V713-A717 PolarHBondContact O-N 3.38Å |
| 714 | S | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111 | L706 H710 I711 N716 A717 I718 | L706-S714 WeakPolarHBondContact O-CB 3.5Å; L706-S714 PolarHBondContact O-OG 3.2Å; H710-S714 PolarHBondContact O-N 2.87Å; I711-S714 PolarHBondContact O-N 3.13Å; S714-N716 PolarHBondContact O-N 3.48Å; S714-A717 PolarHBondContact O-N 2.95Å; S714-I718 VanDerWaalsContact O-CG1 3.27Å; S714-I718 WeakPolarHBondContact O-CG1 3.45Å; S714-I718 PolarHBondContact O-N 3.34Å |
| 715 | N | 97.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 179.4 | -168.4 | 35.2 | 0 | 0 | 0 | 112.7 | I711 S712 V713 I718 W719 L756 N759 | I711-N715 WeakPolarHBondContact O-CB 3.35Å; I711-N715 PolarHBondContact O-N 2.9Å; S712-N715 PolarHBondContact O-N 3.12Å; V713-N715 VanDerWaalsContact C-N 3.3Å; V713-N715 PolarHBondContact O-N 3.37Å; N715-I718 PolarHBondContact O-N 3.3Å; N715-W719 WeakPolarHBondContact O-CB 3.44Å; N715-W719 PolarHBondContact O-N 3.42Å; N715-L756 HydrophobicContact CB-CD1 3.93Å; N715-L756 WeakPolarHBondContact OD1-CA 3.06Å; N715-N759 WeakPolarHBondContact OD1-CB 3.1Å; N715-N759 PolarHBondContact OD1-ND2 3.42Å |
| 716 | N | 98.3 | Very high | 96 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.7 | -33.1 | 179.5 | -71.7 | 5.5 | 0 | 0 | 0 | 112.1 | Q674 F677 S712 V713 S714 W719 A720 | Q674-N716 VanDerWaalsContact CG-ND2 3.32Å; Q674-N716 WeakPolarHBondContact CG-ND2 3.5Å; Q674-N716 PolarHBondContact O-ND2 2.72Å; F677-N716 HydrophobicContact CB-CB 3.7Å; S712-N716 PolarHBondContact O-N 3.28Å; V713-N716 PolarHBondContact O-N 3.01Å; S714-N716 PolarHBondContact O-N 3.48Å; N716-W719 PolarHBondContact O-N 3.5Å; N716-A720 WeakPolarHBondContact O-CB 3.2Å; N716-A720 PolarHBondContact O-N 2.88Å |
| 717 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F677 L702 N705 V713 S714 A720 I721 | F677-A717 HydrophobicContact CD2-CB 3.79Å; F677-A717 HydrophobicContact CE2-CB 4.1Å; F677-A717 HydrophobicContact CG-CB 4.25Å; L702-A717 HydrophobicContact CD2-CB 3.85Å; N705-A717 HydrophobicContact CB-CB 4.2Å; V713-A717 WeakPolarHBondContact O-CB 3.45Å; V713-A717 PolarHBondContact O-N 3.38Å; S714-A717 PolarHBondContact O-N 2.95Å; A717-A720 PolarHBondContact O-N 3.21Å; A717-I721 WeakPolarHBondContact O-CD1 3.49Å; A717-I721 VanDerWaalsContact O-CG1 3.26Å; A717-I721 WeakPolarHBondContact O-CG1 3.33Å; A717-I721 PolarHBondContact O-N 3Å |
| 718 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 175.2 | -71.7 | 174.4 | 0 | 0 | 0 | 110.7 | L706 S714 N715 A720 I721 G722 L743 I746 L756 N759 T760 T763 | L706-I718 HydrophobicContact CD2-CB 4.38Å; L706-I718 HydrophobicContact CD2-CD1 4.1Å; L706-I718 HydrophobicContact CD2-CG1 3.22Å; S714-I718 VanDerWaalsContact O-CG1 3.27Å; S714-I718 WeakPolarHBondContact O-CG1 3.45Å; S714-I718 PolarHBondContact O-N 3.34Å; N715-I718 PolarHBondContact O-N 3.3Å; I718-A720 VanDerWaalsContact C-N 3.31Å; I718-A720 PolarHBondContact O-N 2.97Å; I718-I721 WeakPolarHBondContact O-CB 3.49Å; I718-I721 PolarHBondContact O-N 2.93Å; I718-G722 PolarHBondContact O-N 3.18Å; I718-L743 HydrophobicContact CD1-CD2 4.07Å; I718-L743 HydrophobicContact CG1-CD2 3.87Å; I718-L743 HydrophobicContact CG2-CD2 4.16Å; I718-I746 HydrophobicContact CD1-CD1 3.79Å; I718-I746 HydrophobicContact CD1-CG2 4.28Å; I718-L756 HydrophobicContact CD1-CD1 3.5Å; I718-L756 VanDerWaalsContact CD1-CD1 3.5Å; I718-N759 HydrophobicContact CG2-CB 4.17Å; I718-N759 WeakPolarHBondContact CG2-O 3.48Å; I718-T760 VanDerWaalsContact CD1-OG1 3.26Å; I718-T760 WeakPolarHBondContact CD1-OG1 3.36Å; I718-T763 HydrophobicContact CG2-CG2 4.2Å; I718-T763 VanDerWaalsContact CG2-OG1 3.25Å; I718-T763 WeakPolarHBondContact CG2-OG1 3.38Å; I718-T763 PolarHBondContact O-OG1 3.19Å; I718-T763 VanDerWaalsContact O-OG1 3.1Å |
| 719 | W | 97.4 | Very high | 96.7 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 17% | 0.17 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 177.7 | 176.6 | 100.7 | 0 | 0 | 0 | 111.6 | A678 D682 N715 N716 I721 G722 E723 | A678-W719 WeakPolarHBondContact O-CZ3 3.31Å; D682-W719 HydrophobicContact CB-CH2 4.15Å; D682-W719 VanDerWaalsContact OD1-CH2 3.25Å; D682-W719 WeakPolarHBondContact OD1-CH2 3.29Å; D682-W719 WeakPolarHBondContact OD1-CZ2 3.47Å; N715-W719 WeakPolarHBondContact O-CB 3.44Å; N715-W719 PolarHBondContact O-N 3.42Å; N716-W719 PolarHBondContact O-N 3.5Å; W719-I721 PolarHBondContact O-N 3.38Å; W719-G722 WeakPolarHBondContact O-CA 3.3Å; W719-G722 PolarHBondContact O-N 2.86Å; W719-E723 HydrophobicContact CD2-CG 4.28Å; W719-E723 HydrophobicContact CE3-CG 4.5Å; W719-E723 HydrophobicContact CH2-CG 3.9Å; W719-E723 HydrophobicContact CZ2-CG 3.55Å; W719-E723 HydrophobicContact CZ3-CG 4.38Å; W719-E723 PolarHBondContact O-N 2.93Å |
| 720 | A | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L680 L702 N716 A717 I718 G722 E723 I724 | L680-A720 HydrophobicContact CD2-CB 4.37Å; L680-A720 HydrophobicContact CG-CB 4.42Å; L702-A720 HydrophobicContact CD1-CB 4.29Å; L702-A720 HydrophobicContact CD2-CB 3.89Å; N716-A720 WeakPolarHBondContact O-CB 3.2Å; N716-A720 PolarHBondContact O-N 2.88Å; A717-A720 PolarHBondContact O-N 3.21Å; I718-A720 VanDerWaalsContact C-N 3.31Å; I718-A720 PolarHBondContact O-N 2.97Å; A720-G722 VanDerWaalsContact C-N 3.27Å; A720-G722 PolarHBondContact O-N 3.44Å; A720-E723 PolarHBondContact O-N 3.25Å; A720-I724 WeakPolarHBondContact O-CD1 3.35Å; A720-I724 WeakPolarHBondContact O-CG1 3.48Å; A720-I724 PolarHBondContact O-N 2.73Å |
| 721 | I | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 171.7 | -67.6 | 159.9 | 0 | 0 | 0 | 109.9 | L702 L706 A717 I718 W719 I724 C725 M732 F739 T763 | L702-I721 HydrophobicContact CB-CD1 4.01Å; L702-I721 HydrophobicContact CB-CG1 3.84Å; L702-I721 HydrophobicContact CD1-CG1 3.89Å; L702-I721 HydrophobicContact CG-CG1 4.33Å; L706-I721 HydrophobicContact CD1-CD1 4.02Å; L706-I721 HydrophobicContact CD2-CD1 3.62Å; L706-I721 HydrophobicContact CG-CD1 3.99Å; A717-I721 WeakPolarHBondContact O-CD1 3.49Å; A717-I721 VanDerWaalsContact O-CG1 3.26Å; A717-I721 WeakPolarHBondContact O-CG1 3.33Å; A717-I721 PolarHBondContact O-N 3Å; I718-I721 WeakPolarHBondContact O-CB 3.49Å; I718-I721 PolarHBondContact O-N 2.93Å; W719-I721 PolarHBondContact O-N 3.38Å; I721-I724 PolarHBondContact O-N 3.45Å; I721-C725 WeakPolarHBondContact O-CB 3.46Å; I721-C725 PolarHBondContact O-N 2.99Å; I721-M732 HydrophobicContact CG2-CE 4.01Å; I721-F739 HydrophobicContact CD1-CD1 3.56Å; I721-F739 HydrophobicContact CD1-CE1 3.6Å; I721-F739 HydrophobicContact CD1-CG 4.23Å; I721-F739 HydrophobicContact CD1-CZ 4.35Å; I721-F739 HydrophobicContact CG1-CD1 4.27Å; I721-F739 HydrophobicContact CG1-CE1 3.97Å; I721-F739 HydrophobicContact CG1-CZ 4.24Å; I721-F739 HydrophobicContact CG2-CD2 4.08Å; I721-F739 HydrophobicContact CG2-CE2 4.3Å; I721-F739 HydrophobicContact CG2-CG 4.18Å; I721-T763 HydrophobicContact CB-CG2 4.22Å; I721-T763 HydrophobicContact CG2-CG2 3.85Å |
| 722 | G | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | I718 W719 A720 C725 I726 R766 | I718-G722 PolarHBondContact O-N 3.18Å; W719-G722 WeakPolarHBondContact O-CA 3.3Å; W719-G722 PolarHBondContact O-N 2.86Å; A720-G722 VanDerWaalsContact C-N 3.27Å; A720-G722 PolarHBondContact O-N 3.44Å; G722-C725 WeakPolarHBondContact O-CB 3.35Å; G722-C725 PolarHBondContact O-N 3.18Å; G722-I726 PolarHBondContact O-N 3.03Å; G722-R766 VanDerWaalsContact C-NH1 3.34Å; G722-R766 WeakPolarHBondContact O-CD 3.43Å; G722-R766 PolarHBondContact O-NH1 3.36Å |
| 723 | E | 97.7 | Very high | 97 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.6 | -73 | -56.1 | 131.8 | 0 | 0 | 112 | T684 W719 A720 C725 I726 Q727 R766 | T684-E723 HydrophobicContact CG2-CB 4.46Å; W719-E723 HydrophobicContact CD2-CG 4.28Å; W719-E723 HydrophobicContact CE3-CG 4.5Å; W719-E723 HydrophobicContact CH2-CG 3.9Å; W719-E723 HydrophobicContact CZ2-CG 3.55Å; W719-E723 HydrophobicContact CZ3-CG 4.38Å; W719-E723 PolarHBondContact O-N 2.93Å; A720-E723 PolarHBondContact O-N 3.25Å; E723-C725 VanDerWaalsContact C-N 3.3Å; E723-C725 PolarHBondContact O-N 3.29Å; E723-I726 PolarHBondContact O-N 2.93Å; E723-Q727 WeakPolarHBondContact O-CG 3.49Å; E723-Q727 PolarHBondContact O-N 3.06Å; E723-Q727 VanDerWaalsContact O-N 3.14Å; E723-R766 IonicContact OE1-CZ 3.79Å; E723-R766 VanDerWaalsContact OE1-CZ 3.29Å; E723-R766 IonicContact OE1-NH1 2.82Å; E723-R766 PolarHBondContact OE1-NH1 3.08Å; E723-R766 IonicContact OE1-NH2 3.22Å; E723-R766 PolarHBondContact OE1-NH2 2.8Å |
| 724 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.4 | -61.9 | 160.2 | 0 | 0 | 0 | 111.1 | L680 T684 F688 I695 M699 L702 A720 I721 I726 Q727 L728 | L680-I724 HydrophobicContact CD2-CD1 4.41Å; L680-I724 HydrophobicContact CG-CD1 4.49Å; T684-I724 HydrophobicContact CG2-CB 4.23Å; T684-I724 HydrophobicContact CG2-CG1 3.7Å; F688-I724 HydrophobicContact CE2-CG2 4.4Å; I695-I724 HydrophobicContact CD1-CB 4.49Å; I695-I724 HydrophobicContact CD1-CD1 4.03Å; I695-I724 HydrophobicContact CD1-CG1 4.26Å; I695-I724 HydrophobicContact CD1-CG2 3.46Å; I695-I724 VanDerWaalsContact CD1-CG2 3.46Å; I695-I724 HydrophobicContact CG1-CG2 4.19Å; M699-I724 HydrophobicContact CE-CB 3.54Å; M699-I724 HydrophobicContact CE-CD1 3.72Å; M699-I724 HydrophobicContact CE-CG1 4.18Å; M699-I724 HydrophobicContact CE-CG2 3.05Å; L702-I724 HydrophobicContact CD1-CD1 3.65Å; A720-I724 WeakPolarHBondContact O-CD1 3.35Å; A720-I724 WeakPolarHBondContact O-CG1 3.48Å; A720-I724 PolarHBondContact O-N 2.73Å; I721-I724 PolarHBondContact O-N 3.45Å; I724-I726 PolarHBondContact O-N 2.96Å; I724-Q727 PolarHBondContact O-N 3.44Å; I724-Q727 VanDerWaalsContact O-N 3.15Å; I724-L728 HydrophobicContact CG2-CB 4.23Å; I724-L728 HydrophobicContact CG2-CD2 4.49Å; I724-L728 WeakPolarHBondContact O-CB 3.41Å; I724-L728 PolarHBondContact O-N 3Å |
| 725 | C | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.2 | -44.3 | 179 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | I721 G722 E723 G729 M732 R766 L767 V770 | I721-C725 WeakPolarHBondContact O-CB 3.46Å; I721-C725 PolarHBondContact O-N 2.99Å; G722-C725 WeakPolarHBondContact O-CB 3.35Å; G722-C725 PolarHBondContact O-N 3.18Å; E723-C725 VanDerWaalsContact C-N 3.3Å; E723-C725 PolarHBondContact O-N 3.29Å; C725-G729 PolarHBondContact O-N 2.94Å; C725-M732 HydrophobicContact CB-CE 4.44Å; C725-R766 PolarHBondContact SG-O 3.33Å; C725-R766 VanDerWaalsContact SG-O 3.41Å; C725-L767 VanDerWaalsContact SG-CA 3.52Å; C725-V770 WeakPolarHBondContact SG-CG2 3.39Å |
| 726 | I | 96.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 28% | 0.277 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.6 | -44.5 | 176.6 | -70.1 | -62 | 0 | 0 | 0 | 112.3 | G722 E723 I724 R766 F769 | G722-I726 PolarHBondContact O-N 3.03Å; E723-I726 PolarHBondContact O-N 2.93Å; I724-I726 PolarHBondContact O-N 2.96Å; I726-R766 HydrophobicContact CD1-CB 4.13Å; I726-R766 HydrophobicContact CD1-CG 3.89Å; I726-R766 HydrophobicContact CG1-CB 4.22Å; I726-R766 HydrophobicContact CG1-CG 3.9Å; I726-F769 HydrophobicContact CD1-CD1 3.77Å; I726-F769 HydrophobicContact CD1-CE1 4.34Å |
| 727 | Q | 96.5 | Very high | 96.6 | Very high | 77 Ų | 77 | 33.9 Ų | 33.9 | 36% | 0.36 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.7 | -35 | -176.9 | -67.5 | -67.7 | -19.4 | 0 | 0 | 113.1 | T684 F688 E723 I724 | T684-Q727 HydrophobicContact CG2-CB 3.99Å; T684-Q727 HydrophobicContact CG2-CG 3.74Å; F688-Q727 HydrophobicContact CB-CB 4.22Å; F688-Q727 HydrophobicContact CB-CG 4.3Å; F688-Q727 HydrophobicContact CD1-CB 3.78Å; F688-Q727 HydrophobicContact CD2-CB 3.7Å; F688-Q727 HydrophobicContact CD2-CG 4.41Å; F688-Q727 HydrophobicContact CE1-CB 3.97Å; F688-Q727 WeakPolarHBondContact CE1-O 3.38Å; F688-Q727 HydrophobicContact CE2-CB 3.9Å; F688-Q727 HydrophobicContact CG-CB 3.63Å; F688-Q727 HydrophobicContact CG-CG 4.24Å; F688-Q727 HydrophobicContact CZ-CB 4.02Å; E723-Q727 WeakPolarHBondContact O-CG 3.49Å; E723-Q727 PolarHBondContact O-N 3.06Å; E723-Q727 VanDerWaalsContact O-N 3.14Å; I724-Q727 PolarHBondContact O-N 3.44Å; I724-Q727 VanDerWaalsContact O-N 3.15Å |
| 728 | L | 96.4 | Very high | 96.4 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 15% | 0.152 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -82 | -27.1 | -177.7 | -170.6 | 63.8 | 0 | 0 | 0 | 112.9 | F688 I695 I724 E730 G731 M732 F735 | F688-L728 HydrophobicContact CZ-CB 3.98Å; F688-L728 HydrophobicContact CZ-CD1 3.9Å; I695-L728 HydrophobicContact CG1-CD2 4.3Å; I724-L728 HydrophobicContact CG2-CB 4.23Å; I724-L728 HydrophobicContact CG2-CD2 4.49Å; I724-L728 WeakPolarHBondContact O-CB 3.41Å; I724-L728 PolarHBondContact O-N 3Å; L728-E730 PolarHBondContact O-N 2.86Å; L728-G731 VanDerWaalsContact CD2-C 3.5Å; L728-G731 WeakPolarHBondContact CD2-O 3.27Å; L728-G731 PolarHBondContact O-N 3.32Å; L728-M732 HydrophobicContact CD2-CB 4.43Å; L728-M732 HydrophobicContact CD2-SD 4.24Å; L728-F735 HydrophobicContact CD2-CD2 4.08Å; L728-F735 HydrophobicContact CD2-CE2 4.11Å |
| 729 | G | 95.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 21% | 0.206 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | 60.1 | -132 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | C725 G731 M732 | C725-G729 PolarHBondContact O-N 2.94Å; G729-G731 PolarHBondContact O-N 2.89Å; G729-G731 VanDerWaalsContact O-N 3.07Å; G729-M732 WeakPolarHBondContact O-CB 3.23Å; G729-M732 PolarHBondContact O-N 3.45Å |
| 730 | E | 92.5 | Very high | 96.3 | Very high | 164 Ų | 164 | 35.4 Ų | 35.4 | 77% | 0.766 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -56.9 | -26.3 | -179.5 | -66.3 | -174.6 | 169.3 | 0 | 0 | 113.2 | L728 M732 T733 | L728-E730 PolarHBondContact O-N 2.86Å; E730-M732 PolarHBondContact O-N 2.75Å; E730-T733 WeakPolarHBondContact O-CB 3.46Å; E730-T733 PolarHBondContact O-N 3.19Å; E730-T733 VanDerWaalsContact O-N 3.1Å; E730-T733 PolarHBondContact O-OG1 3.32Å |
| 731 | G | 94.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -62.3 | -8.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L728 G729 T733 P734 | L728-G731 VanDerWaalsContact CD2-C 3.5Å; L728-G731 WeakPolarHBondContact CD2-O 3.27Å; L728-G731 PolarHBondContact O-N 3.32Å; G729-G731 PolarHBondContact O-N 2.89Å; G729-G731 VanDerWaalsContact O-N 3.07Å; G731-T733 VanDerWaalsContact C-N 3.32Å; G731-P734 WeakPolarHBondContact O-CD 3.24Å |
| 732 | M | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -73.4 | -22.1 | 173.5 | -167 | 60.4 | -178.2 | 0 | 0 | 113.2 | M699 I721 C725 L728 G729 E730 P734 F735 A736 F739 L767 V770 | M699-M732 HydrophobicContact CE-CE 4.19Å; M699-M732 HydrophobicContact CE-SD 3.95Å; M699-M732 HydrophobicContact SD-CE 4.04Å; M699-M732 HydrophobicContact SD-SD 4.22Å; I721-M732 HydrophobicContact CG2-CE 4.01Å; C725-M732 HydrophobicContact CB-CE 4.44Å; L728-M732 HydrophobicContact CD2-CB 4.43Å; L728-M732 HydrophobicContact CD2-SD 4.24Å; G729-M732 WeakPolarHBondContact O-CB 3.23Å; G729-M732 PolarHBondContact O-N 3.45Å; E730-M732 PolarHBondContact O-N 2.75Å; M732-P734 VanDerWaalsContact C-CD 3.45Å; M732-F735 HydrophobicContact CE-CB 4.47Å; M732-F735 CarbonylContact O-C 3.59Å; M732-F735 WeakPolarHBondContact O-CA 3.26Å; M732-F735 PolarHBondContact O-N 3.06Å; M732-F735 HydrophobicContact SD-CB 4.28Å; M732-A736 PolarHBondContact O-N 2.72Å; M732-F739 HydrophobicContact CE-CD2 3.44Å; M732-F739 VanDerWaalsContact CE-CD2 3.44Å; M732-F739 HydrophobicContact CE-CE2 3.31Å; M732-F739 HydrophobicContact CE-CZ 4.48Å; M732-L767 HydrophobicContact CE-CD1 4.04Å; M732-L767 HydrophobicContact CG-CD1 3.81Å; M732-V770 HydrophobicContact CB-CG2 3.91Å; M732-V770 HydrophobicContact CG-CG2 4.26Å |
| 733 | T | 95.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 37% | 0.368 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.6 | -46.3 | -175.8 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | E730 G731 F735 A736 E774 | E730-T733 WeakPolarHBondContact O-CB 3.46Å; E730-T733 PolarHBondContact O-N 3.19Å; E730-T733 VanDerWaalsContact O-N 3.1Å; E730-T733 PolarHBondContact O-OG1 3.32Å; G731-T733 VanDerWaalsContact C-N 3.32Å; T733-F735 PolarHBondContact O-N 3.17Å; T733-A736 PolarHBondContact O-N 3.38Å; T733-E774 HydrophobicContact CG2-CG 4.37Å |
| 734 | P | 95.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 43 Ų | 43 | 62% | 0.623 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.5 | -22.7 | 178.2 | -21.1 | 35.2 | 0 | 0 | 0 | 114.3 | G731 M732 | G731-P734 WeakPolarHBondContact O-CD 3.24Å; M732-P734 VanDerWaalsContact C-CD 3.45Å |
| 735 | F | 96.9 | Very high | 96 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -101 | -16.9 | -177.3 | -53.7 | -70.9 | 0 | 0 | 0 | 113.1 | I695 M699 L728 M732 T733 S737 L738 F739 | I695-F735 HydrophobicContact CG2-CZ 4.49Å; M699-F735 HydrophobicContact CB-CD1 3.73Å; M699-F735 HydrophobicContact CB-CE1 4.11Å; M699-F735 HydrophobicContact CB-CG 4.15Å; M699-F735 HydrophobicContact CG-CB 4.3Å; M699-F735 HydrophobicContact CG-CD1 3.9Å; M699-F735 HydrophobicContact CG-CD2 4.17Å; M699-F735 HydrophobicContact CG-CE1 4.25Å; M699-F735 HydrophobicContact CG-CE2 4.5Å; M699-F735 HydrophobicContact CG-CG 3.86Å; M699-F735 HydrophobicContact SD-CB 4.17Å; M699-F735 HydrophobicContact SD-CG 4.32Å; L728-F735 HydrophobicContact CD2-CD2 4.08Å; L728-F735 HydrophobicContact CD2-CE2 4.11Å; M732-F735 HydrophobicContact CE-CB 4.47Å; M732-F735 CarbonylContact O-C 3.59Å; M732-F735 WeakPolarHBondContact O-CA 3.26Å; M732-F735 PolarHBondContact O-N 3.06Å; M732-F735 HydrophobicContact SD-CB 4.28Å; T733-F735 PolarHBondContact O-N 3.17Å; F735-S737 VanDerWaalsContact C-N 3.26Å; F735-S737 PolarHBondContact O-N 2.69Å; F735-S737 VanDerWaalsContact O-N 3.14Å; F735-L738 HydrophobicContact CB-CD1 4.43Å; F735-L738 HydrophobicContact CD1-CD1 4.29Å; F735-L738 VanDerWaalsContact O-CB 3.26Å; F735-L738 WeakPolarHBondContact O-CB 3.25Å; F735-L738 WeakPolarHBondContact O-CG 3.41Å; F735-L738 PolarHBondContact O-N 3.41Å; F735-F739 HydrophobicContact CB-CE2 3.95Å; F735-F739 WeakPolarHBondContact O-CD2 3.49Å; F735-F739 WeakPolarHBondContact O-CE2 3.23Å |
| 736 | A | 94.6 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -51.3 | -43.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M732 T733 L738 F739 I740 L767 E774 | M732-A736 PolarHBondContact O-N 2.72Å; T733-A736 PolarHBondContact O-N 3.38Å; A736-L738 PolarHBondContact O-N 2.73Å; A736-L738 VanDerWaalsContact O-N 3.13Å; A736-F739 PolarHBondContact O-N 3.06Å; A736-I740 HydrophobicContact CB-CD1 4.28Å; A736-I740 WeakPolarHBondContact O-CG1 3.36Å; A736-I740 PolarHBondContact O-N 2.83Å; A736-L767 HydrophobicContact CB-CD1 4.2Å; A736-E774 HydrophobicContact CB-CB 4.15Å; A736-E774 HydrophobicContact CB-CG 4.17Å |
| 737 | S | 94.4 | Very high | 96 | Very high | 82 Ų | 82 | 45.4 Ų | 45.4 | 57% | 0.573 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59 | -24.4 | 179.7 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | F735 F739 | F735-S737 VanDerWaalsContact C-N 3.26Å; F735-S737 PolarHBondContact O-N 2.69Å; F735-S737 VanDerWaalsContact O-N 3.14Å; S737-F739 VanDerWaalsContact C-N 3.26Å; S737-F739 PolarHBondContact O-N 3.42Å |
| 738 | L | 96.1 | Very high | 96 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.3 | -27.2 | 176.8 | -60.5 | 176.9 | 0 | 0 | 0 | 112.5 | A703 F735 A736 | A703-L738 HydrophobicContact CB-CB 4.05Å; A703-L738 HydrophobicContact CB-CD1 4.49Å; F735-L738 HydrophobicContact CB-CD1 4.43Å; F735-L738 HydrophobicContact CD1-CD1 4.29Å; F735-L738 VanDerWaalsContact O-CB 3.26Å; F735-L738 WeakPolarHBondContact O-CB 3.25Å; F735-L738 WeakPolarHBondContact O-CG 3.41Å; F735-L738 PolarHBondContact O-N 3.41Å; A736-L738 PolarHBondContact O-N 2.73Å; A736-L738 VanDerWaalsContact O-N 3.13Å |
| 739 | F | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -112.9 | -27.2 | -168 | -48.2 | -58.1 | 0 | 0 | 0 | 113.5 | M699 A703 L706 I721 M732 F735 A736 S737 H741 P742 L743 | M699-F739 HydrophobicContact CB-CZ 4.2Å; M699-F739 HydrophobicContact CG-CZ 4.44Å; M699-F739 HydrophobicContact SD-CE2 3.42Å; M699-F739 WeakPolarHBondContact SD-CE2 3.49Å; M699-F739 HydrophobicContact SD-CZ 3.31Å; M699-F739 WeakPolarHBondContact SD-CZ 3.46Å; A703-F739 HydrophobicContact CB-CD1 4.2Å; A703-F739 HydrophobicContact CB-CE1 3.67Å; L706-F739 HydrophobicContact CD1-CB 4.28Å; L706-F739 HydrophobicContact CD1-CD1 3.69Å; L706-F739 HydrophobicContact CD1-CG 4.46Å; I721-F739 HydrophobicContact CD1-CD1 3.56Å; I721-F739 HydrophobicContact CD1-CE1 3.6Å; I721-F739 HydrophobicContact CD1-CG 4.23Å; I721-F739 HydrophobicContact CD1-CZ 4.35Å; I721-F739 HydrophobicContact CG1-CD1 4.27Å; I721-F739 HydrophobicContact CG1-CE1 3.97Å; I721-F739 HydrophobicContact CG1-CZ 4.24Å; I721-F739 HydrophobicContact CG2-CD2 4.08Å; I721-F739 HydrophobicContact CG2-CE2 4.3Å; I721-F739 HydrophobicContact CG2-CG 4.18Å; M732-F739 HydrophobicContact CE-CD2 3.44Å; M732-F739 VanDerWaalsContact CE-CD2 3.44Å; M732-F739 HydrophobicContact CE-CE2 3.31Å; M732-F739 HydrophobicContact CE-CZ 4.48Å; F735-F739 HydrophobicContact CB-CE2 3.95Å; F735-F739 WeakPolarHBondContact O-CD2 3.49Å; F735-F739 WeakPolarHBondContact O-CE2 3.23Å; A736-F739 PolarHBondContact O-N 3.06Å; S737-F739 VanDerWaalsContact C-N 3.26Å; S737-F739 PolarHBondContact O-N 3.42Å; F739-H741 PolarHBondContact O-N 2.94Å; F739-P742 WeakPolarHBondContact O-CD 3.43Å; F739-L743 HydrophobicContact CB-CD1 3.85Å; F739-L743 HydrophobicContact CB-CG 4.31Å; F739-L743 VanDerWaalsContact O-CB 3.29Å; F739-L743 WeakPolarHBondContact O-CB 3.42Å; F739-L743 WeakPolarHBondContact O-CG 3.5Å; F739-L743 PolarHBondContact O-N 3.01Å |
| 740 | I | 96.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -52.8 | -56.2 | -174.1 | -72 | 166.5 | 0 | 0 | 0 | 111.7 | A736 I744 L767 E774 L775 | A736-I740 HydrophobicContact CB-CD1 4.28Å; A736-I740 WeakPolarHBondContact O-CG1 3.36Å; A736-I740 PolarHBondContact O-N 2.83Å; I740-I744 HydrophobicContact CG2-CD1 3.69Å; I740-I744 WeakPolarHBondContact O-CB 3.29Å; I740-I744 WeakPolarHBondContact O-CD1 3.44Å; I740-I744 WeakPolarHBondContact O-CG1 3.33Å; I740-I744 PolarHBondContact O-N 2.88Å; I740-I744 VanDerWaalsContact O-N 3.08Å; I740-L767 HydrophobicContact CG1-CD2 3.73Å; I740-E774 HydrophobicContact CD1-CB 3.82Å; I740-L775 HydrophobicContact CG1-CD1 4.14Å; I740-L775 HydrophobicContact CG2-CD1 4.02Å |
| 741 | H | 96.1 | Very high | 95.3 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 56% | 0.56 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.5 | -48.3 | -176.8 | -74.1 | -62.8 | 0 | 0 | 0 | 113.3 | F739 L743 I744 E745 H778 | F739-H741 PolarHBondContact O-N 2.94Å; H741-L743 PolarHBondContact O-N 2.99Å; H741-I744 PolarHBondContact O-N 3.43Å; H741-E745 PolarHBondContact O-N 3.01Å; H741-H778 AromaticContact CE1-CE1 3.66Å |
| 742 | P | 96.8 | Very high | 95 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.5 | -42.9 | 175.3 | -28.3 | 36.1 | 0 | 0 | 0 | 113.8 | L706 F739 I744 E745 I746 | L706-P742 HydrophobicContact CB-CB 4.02Å; L706-P742 HydrophobicContact CD1-CB 3.67Å; L706-P742 HydrophobicContact CD1-CG 4.27Å; F739-P742 WeakPolarHBondContact O-CD 3.43Å; P742-I744 PolarHBondContact O-N 3.28Å; P742-E745 WeakPolarHBondContact O-CB 3.32Å; P742-E745 PolarHBondContact O-N 3.5Å; P742-I746 VanDerWaalsContact O-CG1 3.25Å; P742-I746 WeakPolarHBondContact O-CG1 3.37Å; P742-I746 PolarHBondContact O-N 3.35Å |
| 743 | L | 97.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 178.2 | -67.9 | 172.1 | 0 | 0 | 0 | 111.9 | L706 I718 F739 H741 E745 I746 I747 T760 T763 I764 | L706-L743 HydrophobicContact CD1-CG 4.49Å; L706-L743 HydrophobicContact CD2-CD2 4.36Å; I718-L743 HydrophobicContact CD1-CD2 4.07Å; I718-L743 HydrophobicContact CG1-CD2 3.87Å; I718-L743 HydrophobicContact CG2-CD2 4.16Å; F739-L743 HydrophobicContact CB-CD1 3.85Å; F739-L743 HydrophobicContact CB-CG 4.31Å; F739-L743 VanDerWaalsContact O-CB 3.29Å; F739-L743 WeakPolarHBondContact O-CB 3.42Å; F739-L743 WeakPolarHBondContact O-CG 3.5Å; F739-L743 PolarHBondContact O-N 3.01Å; H741-L743 PolarHBondContact O-N 2.99Å; L743-E745 VanDerWaalsContact C-N 3.32Å; L743-I746 PolarHBondContact O-N 3.34Å; L743-I747 WeakPolarHBondContact O-CG2 3.5Å; L743-I747 PolarHBondContact O-N 3.31Å; L743-T760 HydrophobicContact CB-CG2 4.25Å; L743-T760 HydrophobicContact CD2-CG2 4.01Å; L743-T760 WeakPolarHBondContact O-CG2 3.24Å; L743-T763 HydrophobicContact CD1-CG2 4.01Å; L743-T763 HydrophobicContact CD2-CG2 4.36Å; L743-I764 HydrophobicContact CB-CD1 4.01Å; L743-I764 HydrophobicContact CB-CG1 3.81Å; L743-I764 HydrophobicContact CD1-CG1 4.14Å |
| 744 | I | 97.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 175 | -70.1 | 166 | 0 | 0 | 0 | 111.3 | I740 H741 P742 I747 N748 H778 F782 | I740-I744 HydrophobicContact CG2-CD1 3.69Å; I740-I744 WeakPolarHBondContact O-CB 3.29Å; I740-I744 WeakPolarHBondContact O-CD1 3.44Å; I740-I744 WeakPolarHBondContact O-CG1 3.33Å; I740-I744 PolarHBondContact O-N 2.88Å; I740-I744 VanDerWaalsContact O-N 3.08Å; H741-I744 PolarHBondContact O-N 3.43Å; P742-I744 PolarHBondContact O-N 3.28Å; I744-I747 WeakPolarHBondContact O-CG2 3.32Å; I744-N748 WeakPolarHBondContact O-CB 3.33Å; I744-N748 PolarHBondContact O-N 3.04Å; I744-N748 PolarHBondContact O-ND2 2.68Å; I744-H778 HydrophobicContact CD1-CB 3.62Å; I744-F782 HydrophobicContact CD1-CD1 4.08Å; I744-F782 HydrophobicContact CG1-CB 4.35Å; I744-F782 HydrophobicContact CG1-CD1 3.81Å; I744-F782 HydrophobicContact CG1-CG 4.42Å |
| 745 | E | 96.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 175 | -168.2 | -166.2 | 133.6 | 0 | 0 | 110.8 | H741 P742 L743 I747 N748 R749 | H741-E745 PolarHBondContact O-N 3.01Å; P742-E745 WeakPolarHBondContact O-CB 3.32Å; P742-E745 PolarHBondContact O-N 3.5Å; L743-E745 VanDerWaalsContact C-N 3.32Å; E745-I747 PolarHBondContact O-N 3.01Å; E745-N748 PolarHBondContact O-N 3.09Å; E745-R749 PolarHBondContact O-N 2.75Å; E745-R749 IonicContact OE1-CZ 3.49Å; E745-R749 IonicContact OE1-NH2 3.39Å; E745-R749 PolarHBondContact OE1-NH2 3.05Å |
| 746 | I | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | -176.9 | -66.8 | 164.9 | 0 | 0 | 0 | 111.2 | L706 I718 P742 L743 N748 R749 L756 H757 T760 | L706-I746 HydrophobicContact CB-CD1 4.37Å; L706-I746 WeakPolarHBondContact O-CD1 3.23Å; I718-I746 HydrophobicContact CD1-CD1 3.79Å; I718-I746 HydrophobicContact CD1-CG2 4.28Å; P742-I746 VanDerWaalsContact O-CG1 3.25Å; P742-I746 WeakPolarHBondContact O-CG1 3.37Å; P742-I746 PolarHBondContact O-N 3.35Å; L743-I746 PolarHBondContact O-N 3.34Å; I746-N748 PolarHBondContact O-N 2.98Å; I746-R749 WeakPolarHBondContact O-CB 3.34Å; I746-R749 PolarHBondContact O-N 3.39Å; I746-R749 VanDerWaalsContact O-N 3.11Å; I746-L756 HydrophobicContact CG2-CD1 4.25Å; I746-L756 HydrophobicContact CG2-CD2 4.05Å; I746-L756 HydrophobicContact CG2-CG 3.92Å; I746-H757 PolarHBondContact O-NE2 2.96Å; I746-T760 HydrophobicContact CB-CG2 4.31Å; I746-T760 HydrophobicContact CG2-CG2 4.18Å; I746-T760 WeakPolarHBondContact CG2-OG1 3.31Å |
| 747 | I | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -24 | -178.2 | -159.1 | 167.5 | 0 | 0 | 0 | 113.2 | L743 I744 E745 T760 A761 I764 F782 Q785 W786 F789 | L743-I747 WeakPolarHBondContact O-CG2 3.5Å; L743-I747 PolarHBondContact O-N 3.31Å; I744-I747 WeakPolarHBondContact O-CG2 3.32Å; E745-I747 PolarHBondContact O-N 3.01Å; I747-T760 HydrophobicContact CB-CG2 3.83Å; I747-T760 HydrophobicContact CG1-CG2 4.45Å; I747-A761 HydrophobicContact CD1-CB 4.08Å; I747-I764 HydrophobicContact CB-CD1 4.25Å; I747-I764 HydrophobicContact CD1-CD1 3.89Å; I747-I764 HydrophobicContact CG2-CD1 4.04Å; I747-F782 HydrophobicContact CG2-CB 3.77Å; I747-Q785 HydrophobicContact CG1-CB 3.95Å; I747-Q785 WeakPolarHBondContact O-CB 3.43Å; I747-W786 HydrophobicContact CD1-CB 3.86Å; I747-W786 HydrophobicContact CD1-CG 4.43Å; I747-F789 HydrophobicContact CG1-CD2 4.11Å; I747-F789 HydrophobicContact CG1-CE2 4.32Å |
| 748 | N | 96.9 | Very high | 94.5 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -94.9 | -8.1 | 177.2 | -73.3 | -57.3 | 0 | 0 | 0 | 113.6 | I744 E745 I746 Q750 T781 Q785 | I744-N748 WeakPolarHBondContact O-CB 3.33Å; I744-N748 PolarHBondContact O-N 3.04Å; I744-N748 PolarHBondContact O-ND2 2.68Å; E745-N748 PolarHBondContact O-N 3.09Å; I746-N748 PolarHBondContact O-N 2.98Å; N748-Q750 PolarHBondContact O-N 3Å; N748-Q750 PolarHBondContact O-NE2 3.46Å; N748-T781 PolarHBondContact ND2-O 3.31Å; N748-Q785 VanDerWaalsContact OD1-CG 3.25Å; N748-Q785 WeakPolarHBondContact OD1-CG 3.39Å |
| 749 | R | 94.5 | Very high | 94.5 | Very high | 98 Ų | 98 | 50.4 Ų | 50.4 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | trans | -66.4 | 130 | -179.8 | -167.6 | 178.7 | -75.1 | -178.6 | -3.4 | 110.2 | E745 I746 T752 H757 | E745-R749 PolarHBondContact O-N 2.75Å; E745-R749 IonicContact OE1-CZ 3.49Å; E745-R749 IonicContact OE1-NH2 3.39Å; E745-R749 PolarHBondContact OE1-NH2 3.05Å; I746-R749 WeakPolarHBondContact O-CB 3.34Å; I746-R749 PolarHBondContact O-N 3.39Å; I746-R749 VanDerWaalsContact O-N 3.11Å; R749-T752 WeakPolarHBondContact CD-OG1 3.39Å; R749-T752 WeakPolarHBondContact CG-OG1 3.31Å; R749-H757 PolarHBondContact O-CE1 3.05Å; R749-H757 PolarHBondContact O-NE2 3.32Å; R749-H757 VanDerWaalsContact O-NE2 3.08Å | ||
| 750 | Q | 90.9 | Very high | 94.5 | Very high | 143 Ų | 143 | 50.4 Ų | 50.4 | 67% | 0.668 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 157.5 | 175.5 | -57.7 | -58.7 | -47.5 | 0 | 0 | 110.5 | N748 T752 | N748-Q750 PolarHBondContact O-N 3Å; N748-Q750 PolarHBondContact O-NE2 3.46Å; Q750-T752 PolarHBondContact O-N 2.86Å; Q750-T752 VanDerWaalsContact O-N 3.1Å; Q750-T752 PolarHBondContact O-OG1 2.85Å |
| 751 | S | 84.6 | Confident | 94.6 | Very high | 133 Ų | 133 | 50 Ų | 50 | 93% | 0.93 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.8 | 173.9 | -50.9 | 0 | 0 | 0 | 0 | 115.1 | ||
| 752 | T | 87 | Confident | 94.7 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 14% | 0.135 | 24% | 0.235 | C | C | . | . | trans | -98.3 | 145.3 | 176.9 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | R749 Q750 L756 H757 | R749-T752 WeakPolarHBondContact CD-OG1 3.39Å; R749-T752 WeakPolarHBondContact CG-OG1 3.31Å; Q750-T752 PolarHBondContact O-N 2.86Å; Q750-T752 VanDerWaalsContact O-N 3.1Å; Q750-T752 PolarHBondContact O-OG1 2.85Å; T752-L756 HydrophobicContact CG2-CB 4.05Å; T752-L756 HydrophobicContact CG2-CD2 3.38Å; T752-L756 HydrophobicContact CG2-CG 3.93Å; T752-H757 VanDerWaalsContact CB-CE1 3.47Å; T752-H757 WeakPolarHBondContact CB-CE1 3.44Å; T752-H757 WeakPolarHBondContact CB-NE2 3.42Å; T752-H757 PolarHBondContact O-CE1 3.22Å; T752-H757 PolarHBondContact O-ND1 3.27Å | ||
| 753 | P | 91.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | trans | -57.6 | 139.6 | 179.5 | -29.8 | 39.1 | 0 | 0 | 0 | 112.8 | I711 T755 L756 H757 | I711-P753 HydrophobicContact CD1-CG 3.98Å; I711-P753 HydrophobicContact CG2-CG 3.93Å; P753-T755 PolarHBondContact O-N 2.88Å; P753-L756 WeakPolarHBondContact O-CB 3.49Å; P753-L756 PolarHBondContact O-N 3.49Å; P753-L756 VanDerWaalsContact O-N 3.09Å; P753-H757 PolarHBondContact O-N 2.97Å | ||
| 754 | K | 93 | Very high | 94.8 | Very high | 114 Ų | 114 | 43.4 Ų | 43.4 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.8 | -39 | -176.8 | -176.8 | -178.5 | 169 | -163.1 | 0 | 112.9 | L756 H757 E758 | K754-L756 PolarHBondContact O-N 3.14Å; K754-H757 WeakPolarHBondContact O-CB 3.12Å; K754-H757 PolarHBondContact O-N 3.01Å; K754-E758 WeakPolarHBondContact CE-OE1 3.46Å; K754-E758 HydrophobicContact CG-CG 4.35Å; K754-E758 IonicContact NZ-OE1 3.28Å; K754-E758 WeakPolarHBondContact O-CB 3.17Å; K754-E758 WeakPolarHBondContact O-CG 3.32Å; K754-E758 PolarHBondContact O-N 3.33Å |
| 755 | T | 92.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 42.5 Ų | 42.5 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 179.5 | 51 | 0 | 0 | 0 | 0 | 112.7 | P753 E758 N759 | P753-T755 PolarHBondContact O-N 2.88Å; T755-E758 PolarHBondContact O-N 3.2Å; T755-N759 WeakPolarHBondContact O-CB 3.3Å; T755-N759 PolarHBondContact O-N 3.16Å |
| 756 | L | 95.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.3 | 177.3 | 59.2 | 0 | 0 | 0 | 110.8 | I711 N715 I718 I746 T752 P753 K754 T760 | I711-L756 HydrophobicContact CG2-CB 4.29Å; I711-L756 HydrophobicContact CG2-CD2 3.79Å; N715-L756 HydrophobicContact CB-CD1 3.93Å; N715-L756 WeakPolarHBondContact OD1-CA 3.06Å; I718-L756 HydrophobicContact CD1-CD1 3.5Å; I718-L756 VanDerWaalsContact CD1-CD1 3.5Å; I746-L756 HydrophobicContact CG2-CD1 4.25Å; I746-L756 HydrophobicContact CG2-CD2 4.05Å; I746-L756 HydrophobicContact CG2-CG 3.92Å; T752-L756 HydrophobicContact CG2-CB 4.05Å; T752-L756 HydrophobicContact CG2-CD2 3.38Å; T752-L756 HydrophobicContact CG2-CG 3.93Å; P753-L756 WeakPolarHBondContact O-CB 3.49Å; P753-L756 PolarHBondContact O-N 3.49Å; P753-L756 VanDerWaalsContact O-N 3.09Å; K754-L756 PolarHBondContact O-N 3.14Å; L756-T760 VanDerWaalsContact O-CB 3.29Å; L756-T760 WeakPolarHBondContact O-CB 3.31Å; L756-T760 PolarHBondContact O-N 2.96Å; L756-T760 PolarHBondContact O-OG1 2.99Å |
| 757 | H | 95.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.9 | -71.1 | 144 | 0 | 0 | 0 | 112.9 | I746 R749 T752 P753 K754 T760 A761 F789 | I746-H757 PolarHBondContact O-NE2 2.96Å; R749-H757 PolarHBondContact O-CE1 3.05Å; R749-H757 PolarHBondContact O-NE2 3.32Å; R749-H757 VanDerWaalsContact O-NE2 3.08Å; T752-H757 VanDerWaalsContact CB-CE1 3.47Å; T752-H757 WeakPolarHBondContact CB-CE1 3.44Å; T752-H757 WeakPolarHBondContact CB-NE2 3.42Å; T752-H757 PolarHBondContact O-CE1 3.22Å; T752-H757 PolarHBondContact O-ND1 3.27Å; P753-H757 PolarHBondContact O-N 2.97Å; K754-H757 WeakPolarHBondContact O-CB 3.12Å; K754-H757 PolarHBondContact O-N 3.01Å; H757-T760 PolarHBondContact O-N 3.25Å; H757-A761 WeakPolarHBondContact O-CB 3.31Å; H757-A761 PolarHBondContact O-N 3.26Å; H757-F789 HydrophobicContact CB-CD1 3.57Å; H757-F789 HydrophobicContact CB-CD2 3.71Å; H757-F789 HydrophobicContact CB-CE1 3.57Å; H757-F789 HydrophobicContact CB-CE2 3.7Å; H757-F789 HydrophobicContact CB-CG 3.67Å; H757-F789 HydrophobicContact CB-CZ 3.65Å; H757-F789 AromaticContact CD2-CE2 3.84Å; H757-F789 AromaticContact CD2-CZ 3.87Å; H757-F789 AromaticContact CE1-CZ 3.53Å; H757-F789 AromaticContact CG-CE1 3.65Å; H757-F789 AromaticContact CG-CE2 3.6Å; H757-F789 AromaticContact CG-CZ 3.34Å; H757-F789 AromaticContact ND1-CE1 3.34Å; H757-F789 VanDerWaalsContact ND1-CE1 3.34Å; H757-F789 WeakPolarHBondContact ND1-CE1 3.19Å; H757-F789 AromaticContact ND1-CE2 3.89Å; H757-F789 AromaticContact ND1-CZ 3.13Å; H757-F789 WeakPolarHBondContact ND1-CZ 3.4Å; H757-F789 AromaticContact NE2-CZ 3.96Å |
| 758 | E | 95.5 | Very high | 95 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -49.9 | 176.6 | -80.7 | 179 | 157.8 | 0 | 0 | 111.6 | K754 T755 T760 A761 I762 I793 | K754-E758 WeakPolarHBondContact CE-OE1 3.46Å; K754-E758 HydrophobicContact CG-CG 4.35Å; K754-E758 IonicContact NZ-OE1 3.28Å; K754-E758 WeakPolarHBondContact O-CB 3.17Å; K754-E758 WeakPolarHBondContact O-CG 3.32Å; K754-E758 PolarHBondContact O-N 3.33Å; T755-E758 PolarHBondContact O-N 3.2Å; E758-T760 VanDerWaalsContact C-N 3.32Å; E758-T760 PolarHBondContact O-N 3.12Å; E758-A761 PolarHBondContact O-N 3.43Å; E758-I762 WeakPolarHBondContact O-CG1 3.44Å; E758-I762 PolarHBondContact O-N 2.94Å; E758-I793 HydrophobicContact CB-CD1 3.76Å; E758-I793 HydrophobicContact CB-CG1 4.21Å; E758-I793 HydrophobicContact CG-CD1 3.79Å; E758-I793 HydrophobicContact CG-CG1 3.79Å |
| 759 | N | 95.9 | Very high | 95 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 17% | 0.171 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -36.7 | 176.3 | -79 | -10.2 | 0 | 0 | 0 | 112.5 | N715 I718 T755 I762 T763 | N715-N759 WeakPolarHBondContact OD1-CB 3.1Å; N715-N759 PolarHBondContact OD1-ND2 3.42Å; I718-N759 HydrophobicContact CG2-CB 4.17Å; I718-N759 WeakPolarHBondContact CG2-O 3.48Å; T755-N759 WeakPolarHBondContact O-CB 3.3Å; T755-N759 PolarHBondContact O-N 3.16Å; N759-I762 PolarHBondContact O-N 3.44Å; N759-T763 VanDerWaalsContact O-CB 3.31Å; N759-T763 WeakPolarHBondContact O-CB 3.4Å; N759-T763 PolarHBondContact O-N 3.18Å; N759-T763 PolarHBondContact O-OG1 3.42Å |
| 760 | T | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | I718 L743 I746 I747 L756 H757 E758 T763 I764 | I718-T760 VanDerWaalsContact CD1-OG1 3.26Å; I718-T760 WeakPolarHBondContact CD1-OG1 3.36Å; L743-T760 HydrophobicContact CB-CG2 4.25Å; L743-T760 HydrophobicContact CD2-CG2 4.01Å; L743-T760 WeakPolarHBondContact O-CG2 3.24Å; I746-T760 HydrophobicContact CB-CG2 4.31Å; I746-T760 HydrophobicContact CG2-CG2 4.18Å; I746-T760 WeakPolarHBondContact CG2-OG1 3.31Å; I747-T760 HydrophobicContact CB-CG2 3.83Å; I747-T760 HydrophobicContact CG1-CG2 4.45Å; L756-T760 VanDerWaalsContact O-CB 3.29Å; L756-T760 WeakPolarHBondContact O-CB 3.31Å; L756-T760 PolarHBondContact O-N 2.96Å; L756-T760 PolarHBondContact O-OG1 2.99Å; H757-T760 PolarHBondContact O-N 3.25Å; E758-T760 VanDerWaalsContact C-N 3.32Å; E758-T760 PolarHBondContact O-N 3.12Å; T760-T763 PolarHBondContact O-N 2.82Å; T760-I764 HydrophobicContact CG2-CD1 3.97Å; T760-I764 HydrophobicContact CG2-CG1 4.42Å; T760-I764 WeakPolarHBondContact O-CB 3.27Å; T760-I764 VanDerWaalsContact O-CG1 3.32Å; T760-I764 WeakPolarHBondContact O-CG1 3.16Å; T760-I764 PolarHBondContact O-N 2.66Å |
| 761 | A | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I747 H757 E758 T763 I764 G765 W786 F789 | I747-A761 HydrophobicContact CD1-CB 4.08Å; H757-A761 WeakPolarHBondContact O-CB 3.31Å; H757-A761 PolarHBondContact O-N 3.26Å; E758-A761 PolarHBondContact O-N 3.43Å; A761-T763 VanDerWaalsContact C-N 3.32Å; A761-T763 PolarHBondContact O-N 3.06Å; A761-I764 PolarHBondContact O-N 3.09Å; A761-G765 PolarHBondContact O-N 3.26Å; A761-W786 HydrophobicContact CB-CG 4.33Å; A761-W786 PolarHBondContact O-NE1 3.27Å; A761-F789 HydrophobicContact CB-CB 4.32Å |
| 762 | I | 97.8 | Very high | 95.9 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.9 | -48.7 | 174.8 | -72 | 161.1 | 0 | 0 | 0 | 110.3 | E758 N759 G765 R766 L790 I793 E798 | E758-I762 WeakPolarHBondContact O-CG1 3.44Å; E758-I762 PolarHBondContact O-N 2.94Å; N759-I762 PolarHBondContact O-N 3.44Å; I762-G765 PolarHBondContact O-N 2.99Å; I762-R766 HydrophobicContact CG2-CG 4.35Å; I762-R766 WeakPolarHBondContact O-CG 3.17Å; I762-R766 PolarHBondContact O-N 3.43Å; I762-L790 HydrophobicContact CG1-CD1 4.11Å; I762-I793 HydrophobicContact CD1-CD1 3.7Å; I762-I793 HydrophobicContact CG1-CD1 3.89Å; I762-E798 HydrophobicContact CD1-CB 4Å; I762-E798 HydrophobicContact CG1-CB 4.28Å; I762-E798 HydrophobicContact CG2-CB 3.96Å; I762-E798 HydrophobicContact CG2-CG 4.47Å |
| 763 | T | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.2 | -42.6 | -176.4 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | I718 I721 L743 N759 T760 A761 G765 R766 L767 | I718-T763 HydrophobicContact CG2-CG2 4.2Å; I718-T763 VanDerWaalsContact CG2-OG1 3.25Å; I718-T763 WeakPolarHBondContact CG2-OG1 3.38Å; I718-T763 PolarHBondContact O-OG1 3.19Å; I718-T763 VanDerWaalsContact O-OG1 3.1Å; I721-T763 HydrophobicContact CB-CG2 4.22Å; I721-T763 HydrophobicContact CG2-CG2 3.85Å; L743-T763 HydrophobicContact CD1-CG2 4.01Å; L743-T763 HydrophobicContact CD2-CG2 4.36Å; N759-T763 VanDerWaalsContact O-CB 3.31Å; N759-T763 WeakPolarHBondContact O-CB 3.4Å; N759-T763 PolarHBondContact O-N 3.18Å; N759-T763 PolarHBondContact O-OG1 3.42Å; T760-T763 PolarHBondContact O-N 2.82Å; A761-T763 VanDerWaalsContact C-N 3.32Å; A761-T763 PolarHBondContact O-N 3.06Å; T763-G765 VanDerWaalsContact C-N 3.3Å; T763-G765 PolarHBondContact O-N 3.43Å; T763-R766 PolarHBondContact O-N 3.11Å; T763-L767 WeakPolarHBondContact O-CB 3.4Å; T763-L767 PolarHBondContact O-N 3.41Å |
| 764 | I | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.6 | -45.1 | 172.2 | -75 | 176.3 | 0 | 0 | 0 | 110.5 | L743 I747 T760 A761 L767 G768 L775 F782 | L743-I764 HydrophobicContact CB-CD1 4.01Å; L743-I764 HydrophobicContact CB-CG1 3.81Å; L743-I764 HydrophobicContact CD1-CG1 4.14Å; I747-I764 HydrophobicContact CB-CD1 4.25Å; I747-I764 HydrophobicContact CD1-CD1 3.89Å; I747-I764 HydrophobicContact CG2-CD1 4.04Å; T760-I764 HydrophobicContact CG2-CD1 3.97Å; T760-I764 HydrophobicContact CG2-CG1 4.42Å; T760-I764 WeakPolarHBondContact O-CB 3.27Å; T760-I764 VanDerWaalsContact O-CG1 3.32Å; T760-I764 WeakPolarHBondContact O-CG1 3.16Å; T760-I764 PolarHBondContact O-N 2.66Å; A761-I764 PolarHBondContact O-N 3.09Å; I764-L767 PolarHBondContact O-N 3.49Å; I764-G768 PolarHBondContact O-N 3.21Å; I764-L775 HydrophobicContact CG2-CD2 3.99Å; I764-L775 WeakPolarHBondContact O-CD2 3.21Å; I764-F782 HydrophobicContact CG2-CD2 3.76Å; I764-F782 HydrophobicContact CG2-CE1 4.45Å; I764-F782 HydrophobicContact CG2-CE2 3.38Å; I764-F782 HydrophobicContact CG2-CG 4.46Å; I764-F782 HydrophobicContact CG2-CZ 3.76Å |
| 765 | G | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A761 I762 T763 L767 G768 F769 A802 G805 | A761-G765 PolarHBondContact O-N 3.26Å; I762-G765 PolarHBondContact O-N 2.99Å; T763-G765 VanDerWaalsContact C-N 3.3Å; T763-G765 PolarHBondContact O-N 3.43Å; G765-L767 VanDerWaalsContact C-N 3.33Å; G765-L767 PolarHBondContact O-N 3.32Å; G765-G768 CarbonylContact O-C 3.36Å; G765-G768 WeakPolarHBondContact O-CA 3.3Å; G765-G768 PolarHBondContact O-N 3.48Å; G765-G768 VanDerWaalsContact O-N 3.11Å; G765-F769 PolarHBondContact O-N 3.48Å; G765-A802 WeakPolarHBondContact CA-O 3.43Å; G765-G805 VanDerWaalsContact O-CA 3.29Å; G765-G805 WeakPolarHBondContact O-CA 3.35Å |
| 766 | R | 98 | Very high | 96.9 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 6% | 0.06 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -38.5 | 176.9 | -70.6 | 177.3 | 162.2 | -175.2 | -5.1 | 112.7 | G722 E723 C725 I726 I762 T763 G768 F769 V770 S801 | G722-R766 VanDerWaalsContact C-NH1 3.34Å; G722-R766 WeakPolarHBondContact O-CD 3.43Å; G722-R766 PolarHBondContact O-NH1 3.36Å; E723-R766 IonicContact OE1-CZ 3.79Å; E723-R766 VanDerWaalsContact OE1-CZ 3.29Å; E723-R766 IonicContact OE1-NH1 2.82Å; E723-R766 PolarHBondContact OE1-NH1 3.08Å; E723-R766 IonicContact OE1-NH2 3.22Å; E723-R766 PolarHBondContact OE1-NH2 2.8Å; C725-R766 PolarHBondContact SG-O 3.33Å; C725-R766 VanDerWaalsContact SG-O 3.41Å; I726-R766 HydrophobicContact CD1-CB 4.13Å; I726-R766 HydrophobicContact CD1-CG 3.89Å; I726-R766 HydrophobicContact CG1-CB 4.22Å; I726-R766 HydrophobicContact CG1-CG 3.9Å; I762-R766 HydrophobicContact CG2-CG 4.35Å; I762-R766 WeakPolarHBondContact O-CG 3.17Å; I762-R766 PolarHBondContact O-N 3.43Å; T763-R766 PolarHBondContact O-N 3.11Å; R766-G768 PolarHBondContact O-N 3.36Å; R766-F769 WeakPolarHBondContact O-CA 3.4Å; R766-F769 VanDerWaalsContact O-CB 3.29Å; R766-F769 WeakPolarHBondContact O-CB 3.47Å; R766-F769 PolarHBondContact O-N 3.27Å; R766-V770 PolarHBondContact O-N 2.63Å; R766-S801 WeakPolarHBondContact CG-OG 3.29Å; R766-S801 PolarHBondContact NE-OG 3.05Å; R766-S801 VanDerWaalsContact NE-OG 3.11Å |
| 767 | L | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 173.3 | -167.3 | 69.6 | 0 | 0 | 0 | 111.7 | C725 M732 A736 I740 T763 I764 G765 F769 V770 C771 L775 | C725-L767 VanDerWaalsContact SG-CA 3.52Å; M732-L767 HydrophobicContact CE-CD1 4.04Å; M732-L767 HydrophobicContact CG-CD1 3.81Å; A736-L767 HydrophobicContact CB-CD1 4.2Å; I740-L767 HydrophobicContact CG1-CD2 3.73Å; T763-L767 WeakPolarHBondContact O-CB 3.4Å; T763-L767 PolarHBondContact O-N 3.41Å; I764-L767 PolarHBondContact O-N 3.49Å; G765-L767 VanDerWaalsContact C-N 3.33Å; G765-L767 PolarHBondContact O-N 3.32Å; L767-F769 PolarHBondContact O-N 2.97Å; L767-V770 PolarHBondContact O-N 3.4Å; L767-C771 WeakPolarHBondContact CD1-SG 3.43Å; L767-C771 CarbonylContact O-C 3.37Å; L767-C771 PolarHBondContact O-N 3.2Å; L767-C771 PolarHBondContact O-SG 3.04Å; L767-L775 HydrophobicContact CB-CD2 4.26Å; L767-L775 HydrophobicContact CD2-CD2 4.33Å; L767-L775 HydrophobicContact CG-CD2 4.48Å |
| 768 | G | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.6 | -21.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I764 G765 R766 P772 | I764-G768 PolarHBondContact O-N 3.21Å; G765-G768 CarbonylContact O-C 3.36Å; G765-G768 WeakPolarHBondContact O-CA 3.3Å; G765-G768 PolarHBondContact O-N 3.48Å; G765-G768 VanDerWaalsContact O-N 3.11Å; R766-G768 PolarHBondContact O-N 3.36Å; G768-P772 VanDerWaalsContact O-CB 3.26Å; G768-P772 WeakPolarHBondContact O-CB 3.41Å |
| 769 | F | 97.2 | Very high | 97.2 | Very high | 79 Ų | 79 | 23.1 Ų | 23.1 | 35% | 0.346 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -74.1 | -41.1 | 177.1 | -174.7 | -134.7 | 0 | 0 | 0 | 111.7 | I726 G765 R766 L767 R804 G805 N808 | I726-F769 HydrophobicContact CD1-CD1 3.77Å; I726-F769 HydrophobicContact CD1-CE1 4.34Å; G765-F769 PolarHBondContact O-N 3.48Å; R766-F769 WeakPolarHBondContact O-CA 3.4Å; R766-F769 VanDerWaalsContact O-CB 3.29Å; R766-F769 WeakPolarHBondContact O-CB 3.47Å; R766-F769 PolarHBondContact O-N 3.27Å; L767-F769 PolarHBondContact O-N 2.97Å; F769-R804 HydrophobicContact CD2-CB 3.56Å; F769-R804 HydrophobicContact CE2-CB 3.73Å; F769-R804 HydrophobicContact CE2-CG 4.37Å; F769-R804 HydrophobicContact CG-CB 4.26Å; F769-G805 VanDerWaalsContact N-CA 3.27Å; F769-N808 PolarHBondContact O-ND2 3.33Å |
| 770 | V | 96.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.145 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -100.9 | -30.4 | -173.4 | -54.4 | 0 | 0 | 0 | 0 | 114.9 | C725 M732 R766 L767 | C725-V770 WeakPolarHBondContact SG-CG2 3.39Å; M732-V770 HydrophobicContact CB-CG2 3.91Å; M732-V770 HydrophobicContact CG-CG2 4.26Å; R766-V770 PolarHBondContact O-N 2.63Å; L767-V770 PolarHBondContact O-N 3.4Å |
| 771 | C | 95.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 28 Ų | 28 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | trans | -135.1 | 61.8 | 176.5 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | L767 G773 E774 | L767-C771 WeakPolarHBondContact CD1-SG 3.43Å; L767-C771 CarbonylContact O-C 3.37Å; L767-C771 PolarHBondContact O-N 3.2Å; L767-C771 PolarHBondContact O-SG 3.04Å; C771-G773 PolarHBondContact O-N 2.82Å; C771-G773 VanDerWaalsContact O-N 3.16Å; C771-E774 PolarHBondContact O-N 3.22Å | ||
| 772 | P | 96.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 28 Ų | 28 | 20% | 0.195 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.6 | -28.4 | -174.3 | 22.7 | -33.7 | 0 | 0 | 0 | 114.2 | G768 E774 L775 A776 N808 L809 L812 | G768-P772 VanDerWaalsContact O-CB 3.26Å; G768-P772 WeakPolarHBondContact O-CB 3.41Å; P772-E774 VanDerWaalsContact C-N 3.34Å; P772-E774 PolarHBondContact O-N 2.83Å; P772-L775 PolarHBondContact O-N 2.95Å; P772-A776 WeakPolarHBondContact O-CB 3.27Å; P772-A776 PolarHBondContact O-N 3.12Å; P772-N808 HydrophobicContact CB-CB 3.98Å; P772-N808 HydrophobicContact CG-CB 4.33Å; P772-L809 HydrophobicContact CB-CD2 3.8Å; P772-L809 VanDerWaalsContact O-CD2 3.31Å; P772-L809 WeakPolarHBondContact O-CD2 3.45Å; P772-L812 HydrophobicContact CB-CD1 3.66Å; P772-L812 HydrophobicContact CG-CD1 4.08Å |
| 773 | G | 96.1 | Very high | 97.4 | Very high | 47 Ų | 47 | 27.6 Ų | 27.6 | 49% | 0.485 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -37.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C771 P777 | C771-G773 PolarHBondContact O-N 2.82Å; C771-G773 VanDerWaalsContact O-N 3.16Å; G773-P777 WeakPolarHBondContact O-CD 3.49Å |
| 774 | E | 95.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 33.2 Ų | 33.2 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -74.5 | -32.3 | -178.7 | -59.4 | -56.8 | 139.9 | 0 | 0 | 112.1 | T733 A736 I740 C771 P772 | T733-E774 HydrophobicContact CG2-CG 4.37Å; A736-E774 HydrophobicContact CB-CB 4.15Å; A736-E774 HydrophobicContact CB-CG 4.17Å; I740-E774 HydrophobicContact CD1-CB 3.82Å; C771-E774 PolarHBondContact O-N 3.22Å; P772-E774 VanDerWaalsContact C-N 3.34Å; P772-E774 PolarHBondContact O-N 2.83Å |
| 775 | L | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -96.6 | -26.4 | -173.2 | -176.3 | 63.2 | 0 | 0 | 0 | 113.3 | I740 I764 L767 P772 P777 H778 F782 L809 | I740-L775 HydrophobicContact CG1-CD1 4.14Å; I740-L775 HydrophobicContact CG2-CD1 4.02Å; I764-L775 HydrophobicContact CG2-CD2 3.99Å; I764-L775 WeakPolarHBondContact O-CD2 3.21Å; L767-L775 HydrophobicContact CB-CD2 4.26Å; L767-L775 HydrophobicContact CD2-CD2 4.33Å; L767-L775 HydrophobicContact CG-CD2 4.48Å; P772-L775 PolarHBondContact O-N 2.95Å; L775-P777 VanDerWaalsContact C-CD 3.4Å; L775-P777 VanDerWaalsContact C-N 3.35Å; L775-H778 HydrophobicContact CD1-CB 4.46Å; L775-H778 WeakPolarHBondContact O-CB 3.49Å; L775-H778 PolarHBondContact O-N 3.41Å; L775-F782 HydrophobicContact CD1-CE1 3.67Å; L775-F782 HydrophobicContact CD1-CZ 4.08Å; L775-F782 HydrophobicContact CD2-CZ 4.2Å; L775-F782 HydrophobicContact CG-CE1 4.05Å; L775-F782 HydrophobicContact CG-CZ 4.01Å; L775-L809 HydrophobicContact CB-CD1 4.42Å; L775-L809 HydrophobicContact CB-CD2 3.97Å; L775-L809 HydrophobicContact CD2-CD1 3.62Å; L775-L809 HydrophobicContact CD2-CD2 4.36Å; L775-L809 HydrophobicContact CG-CD1 3.78Å; L775-L809 HydrophobicContact CG-CD2 4.25Å |
| 776 | A | 97.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -55 | -38.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P772 H778 L779 L809 L812 N813 | P772-A776 WeakPolarHBondContact O-CB 3.27Å; P772-A776 PolarHBondContact O-N 3.12Å; A776-H778 PolarHBondContact O-N 3.32Å; A776-H778 VanDerWaalsContact O-N 3.15Å; A776-L779 WeakPolarHBondContact O-CB 3.31Å; A776-L779 PolarHBondContact O-N 2.93Å; A776-L809 HydrophobicContact CB-CD2 4.12Å; A776-L812 HydrophobicContact CB-CB 3.8Å; A776-L812 HydrophobicContact CB-CD1 4.23Å; A776-N813 HydrophobicContact CB-CB 4.12Å; A776-N813 WeakPolarHBondContact O-CB 3.38Å; A776-N813 PolarHBondContact O-ND2 3.29Å |
| 777 | P | 97.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 34.3 Ų | 34.3 | 57% | 0.571 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -59.1 | -25.1 | 175.3 | -25.9 | 36.2 | 0 | 0 | 0 | 114 | G773 L775 | G773-P777 WeakPolarHBondContact O-CD 3.49Å; L775-P777 VanDerWaalsContact C-CD 3.4Å; L775-P777 VanDerWaalsContact C-N 3.35Å |
| 778 | H | 97.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -95.1 | -0.9 | -177.2 | -58.9 | -79.8 | 0 | 0 | 0 | 113.7 | H741 I744 L775 A776 S780 T781 F782 | H741-H778 AromaticContact CE1-CE1 3.66Å; I744-H778 HydrophobicContact CD1-CB 3.62Å; L775-H778 HydrophobicContact CD1-CB 4.46Å; L775-H778 WeakPolarHBondContact O-CB 3.49Å; L775-H778 PolarHBondContact O-N 3.41Å; A776-H778 PolarHBondContact O-N 3.32Å; A776-H778 VanDerWaalsContact O-N 3.15Å; H778-S780 VanDerWaalsContact C-N 3.28Å; H778-S780 PolarHBondContact O-N 3.43Å; H778-S780 VanDerWaalsContact O-N 3.12Å; H778-T781 WeakPolarHBondContact O-CB 3.41Å; H778-T781 PolarHBondContact O-N 3.5Å; H778-T781 PolarHBondContact O-OG1 3.12Å; H778-F782 HydrophobicContact CB-CE1 4.25Å; H778-F782 VanDerWaalsContact O-CD1 3.28Å; H778-F782 WeakPolarHBondContact O-CD1 3.43Å; H778-F782 WeakPolarHBondContact O-CE1 3.38Å |
| 779 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -49.5 | -45 | -171.6 | -178.4 | 62.1 | 0 | 0 | 0 | 113.7 | A776 T781 F782 I783 L809 I810 N813 V817 | A776-L779 WeakPolarHBondContact O-CB 3.31Å; A776-L779 PolarHBondContact O-N 2.93Å; L779-T781 PolarHBondContact O-N 3.43Å; L779-T781 VanDerWaalsContact O-N 3.13Å; L779-F782 HydrophobicContact CD1-CE2 4.08Å; L779-F782 HydrophobicContact CD1-CZ 3.92Å; L779-F782 PolarHBondContact O-N 2.95Å; L779-I783 HydrophobicContact CD1-CB 4.02Å; L779-I783 HydrophobicContact CD1-CD1 3.97Å; L779-I783 HydrophobicContact CD1-CG1 4.15Å; L779-I783 HydrophobicContact CG-CB 4.36Å; L779-I783 VanDerWaalsContact O-CB 3.24Å; L779-I783 WeakPolarHBondContact O-CB 3.03Å; L779-I783 WeakPolarHBondContact O-CG2 3.49Å; L779-I783 PolarHBondContact O-N 2.9Å; L779-L809 HydrophobicContact CD1-CB 4.05Å; L779-L809 HydrophobicContact CD1-CD1 4.1Å; L779-L809 HydrophobicContact CD2-CB 4.35Å; L779-I810 HydrophobicContact CD2-CG1 3.91Å; L779-N813 WeakPolarHBondContact CD2-O 3.42Å; L779-V817 HydrophobicContact CD2-CB 4.37Å |
| 780 | S | 97.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 34.3 Ų | 34.3 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.7 | -16.3 | -179.7 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | H778 G816 | H778-S780 VanDerWaalsContact C-N 3.28Å; H778-S780 PolarHBondContact O-N 3.43Å; H778-S780 VanDerWaalsContact O-N 3.12Å; S780-G816 WeakPolarHBondContact CA-O 3.42Å; S780-G816 VanDerWaalsContact CB-O 3.3Å; S780-G816 WeakPolarHBondContact CB-O 3.38Å; S780-G816 PolarHBondContact N-O 2.91Å |
| 781 | T | 97.5 | Very high | 96.8 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -85.3 | -17.2 | -176.6 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | N748 H778 L779 | N748-T781 PolarHBondContact ND2-O 3.31Å; H778-T781 WeakPolarHBondContact O-CB 3.41Å; H778-T781 PolarHBondContact O-N 3.5Å; H778-T781 PolarHBondContact O-OG1 3.12Å; L779-T781 PolarHBondContact O-N 3.43Å; L779-T781 VanDerWaalsContact O-N 3.13Å |
| 782 | F | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -134.9 | -17.3 | -175.7 | 65.3 | -98.9 | 0 | 0 | 0 | 114.5 | I744 I747 I764 L775 H778 L779 R784 Q785 W786 I806 L809 | I744-F782 HydrophobicContact CD1-CD1 4.08Å; I744-F782 HydrophobicContact CG1-CB 4.35Å; I744-F782 HydrophobicContact CG1-CD1 3.81Å; I744-F782 HydrophobicContact CG1-CG 4.42Å; I747-F782 HydrophobicContact CG2-CB 3.77Å; I764-F782 HydrophobicContact CG2-CD2 3.76Å; I764-F782 HydrophobicContact CG2-CE1 4.45Å; I764-F782 HydrophobicContact CG2-CE2 3.38Å; I764-F782 HydrophobicContact CG2-CG 4.46Å; I764-F782 HydrophobicContact CG2-CZ 3.76Å; L775-F782 HydrophobicContact CD1-CE1 3.67Å; L775-F782 HydrophobicContact CD1-CZ 4.08Å; L775-F782 HydrophobicContact CD2-CZ 4.2Å; L775-F782 HydrophobicContact CG-CE1 4.05Å; L775-F782 HydrophobicContact CG-CZ 4.01Å; H778-F782 HydrophobicContact CB-CE1 4.25Å; H778-F782 VanDerWaalsContact O-CD1 3.28Å; H778-F782 WeakPolarHBondContact O-CD1 3.43Å; H778-F782 WeakPolarHBondContact O-CE1 3.38Å; L779-F782 HydrophobicContact CD1-CE2 4.08Å; L779-F782 HydrophobicContact CD1-CZ 3.92Å; L779-F782 PolarHBondContact O-N 2.95Å; F782-R784 VanDerWaalsContact C-N 3.26Å; F782-R784 PolarHBondContact O-N 3.28Å; F782-R784 VanDerWaalsContact O-N 3.14Å; F782-Q785 PolarHBondContact O-N 3.06Å; F782-Q785 VanDerWaalsContact O-N 3.12Å; F782-W786 HydrophobicContact CD2-CB 4.07Å; F782-W786 HydrophobicContact CD2-CG 4.49Å; F782-W786 WeakPolarHBondContact O-CB 3.44Å; F782-W786 PolarHBondContact O-N 3.03Å; F782-I806 HydrophobicContact CE2-CD1 3.89Å; F782-I806 HydrophobicContact CZ-CD1 4.49Å; F782-L809 HydrophobicContact CE2-CD1 4.41Å; F782-L809 HydrophobicContact CZ-CD1 3.74Å |
| 783 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.1 | -37.8 | -168.8 | -172.6 | 54.7 | 0 | 0 | 0 | 113.6 | L779 W786 C787 I806 V817 D820 | L779-I783 HydrophobicContact CD1-CB 4.02Å; L779-I783 HydrophobicContact CD1-CD1 3.97Å; L779-I783 HydrophobicContact CD1-CG1 4.15Å; L779-I783 HydrophobicContact CG-CB 4.36Å; L779-I783 VanDerWaalsContact O-CB 3.24Å; L779-I783 WeakPolarHBondContact O-CB 3.03Å; L779-I783 WeakPolarHBondContact O-CG2 3.49Å; L779-I783 PolarHBondContact O-N 2.9Å; I783-W786 HydrophobicContact CD1-CE3 4.19Å; I783-W786 PolarHBondContact O-N 3.41Å; I783-C787 WeakPolarHBondContact O-CB 3.41Å; I783-C787 PolarHBondContact O-N 3.07Å; I783-C787 PolarHBondContact O-SG 3.23Å; I783-I806 HydrophobicContact CD1-CG2 3.8Å; I783-V817 HydrophobicContact CG1-CB 4.44Å; I783-V817 HydrophobicContact CG1-CG2 3.84Å; I783-D820 HydrophobicContact CG2-CB 4.05Å |
| 784 | R | 97.8 | Very high | 95.9 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 45% | 0.453 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -53.9 | 177.2 | -176.3 | 178.6 | 176 | 156.9 | -4.8 | 112 | F782 W786 C787 L788 D820 F823 | F782-R784 VanDerWaalsContact C-N 3.26Å; F782-R784 PolarHBondContact O-N 3.28Å; F782-R784 VanDerWaalsContact O-N 3.14Å; R784-W786 VanDerWaalsContact C-N 3.35Å; R784-C787 PolarHBondContact O-N 3.11Å; R784-L788 HydrophobicContact CG-CD1 4.39Å; R784-L788 WeakPolarHBondContact O-CG 3.42Å; R784-L788 PolarHBondContact O-N 3.34Å; R784-L788 VanDerWaalsContact O-N 3.13Å; R784-D820 HydrophobicContact CB-CB 4.15Å; R784-D820 WeakPolarHBondContact CD-OD1 3.44Å; R784-F823 HydrophobicContact CG-CD1 4.27Å; R784-F823 HydrophobicContact CG-CD2 3.91Å; R784-F823 HydrophobicContact CG-CE1 4.32Å; R784-F823 HydrophobicContact CG-CE2 3.96Å; R784-F823 HydrophobicContact CG-CG 4.08Å; R784-F823 HydrophobicContact CG-CZ 4.18Å |
| 785 | Q | 97.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | -179.5 | -65.9 | -57 | -25.4 | 0 | 0 | 110.9 | I747 N748 F782 C787 L788 F789 | I747-Q785 HydrophobicContact CG1-CB 3.95Å; I747-Q785 WeakPolarHBondContact O-CB 3.43Å; N748-Q785 VanDerWaalsContact OD1-CG 3.25Å; N748-Q785 WeakPolarHBondContact OD1-CG 3.39Å; F782-Q785 PolarHBondContact O-N 3.06Å; F782-Q785 VanDerWaalsContact O-N 3.12Å; Q785-C787 VanDerWaalsContact C-N 3.28Å; Q785-C787 PolarHBondContact O-N 3.28Å; Q785-L788 WeakPolarHBondContact O-CB 3.26Å; Q785-L788 PolarHBondContact O-N 3.38Å; Q785-L788 VanDerWaalsContact O-N 3.07Å; Q785-F789 HydrophobicContact CB-CD2 4.32Å; Q785-F789 HydrophobicContact CB-CE2 4.06Å; Q785-F789 WeakPolarHBondContact O-CD2 3.43Å; Q785-F789 PolarHBondContact O-N 3.24Å |
| 786 | W | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.3 | -45.5 | 174.6 | -173.8 | 96.7 | 0 | 0 | 0 | 112.6 | I747 A761 F782 I783 R784 F789 L790 A802 F803 I806 | I747-W786 HydrophobicContact CD1-CB 3.86Å; I747-W786 HydrophobicContact CD1-CG 4.43Å; A761-W786 HydrophobicContact CB-CG 4.33Å; A761-W786 PolarHBondContact O-NE1 3.27Å; F782-W786 HydrophobicContact CD2-CB 4.07Å; F782-W786 HydrophobicContact CD2-CG 4.49Å; F782-W786 WeakPolarHBondContact O-CB 3.44Å; F782-W786 PolarHBondContact O-N 3.03Å; I783-W786 HydrophobicContact CD1-CE3 4.19Å; I783-W786 PolarHBondContact O-N 3.41Å; R784-W786 VanDerWaalsContact C-N 3.35Å; W786-F789 PolarHBondContact O-N 3.38Å; W786-L790 HydrophobicContact CE3-CB 4.46Å; W786-L790 HydrophobicContact CH2-CB 4.4Å; W786-L790 HydrophobicContact CH2-CD2 3.09Å; W786-L790 HydrophobicContact CH2-CG 4.31Å; W786-L790 HydrophobicContact CZ2-CB 4.42Å; W786-L790 HydrophobicContact CZ2-CD2 3.06Å; W786-L790 HydrophobicContact CZ2-CG 4.28Å; W786-L790 HydrophobicContact CZ3-CB 4.39Å; W786-L790 HydrophobicContact CZ3-CD2 3.86Å; W786-L790 WeakPolarHBondContact O-CB 3.35Å; W786-L790 PolarHBondContact O-N 3.21Å; W786-A802 HydrophobicContact CZ2-CB 4.09Å; W786-F803 AromaticContact CH2-CD1 3.74Å; W786-F803 HydrophobicContact CH2-CD1 3.74Å; W786-F803 HydrophobicContact CH2-CD2 4.31Å; W786-F803 AromaticContact CH2-CE1 3.91Å; W786-F803 HydrophobicContact CH2-CE1 3.91Å; W786-F803 HydrophobicContact CH2-CE2 4.45Å; W786-F803 AromaticContact CH2-CG 3.99Å; W786-F803 HydrophobicContact CH2-CG 3.99Å; W786-F803 HydrophobicContact CH2-CZ 4.28Å; W786-F803 HydrophobicContact CZ3-CD1 4.21Å; W786-F803 AromaticContact CZ3-CE1 3.97Å; W786-F803 HydrophobicContact CZ3-CE1 3.97Å; W786-F803 HydrophobicContact CZ3-CZ 4.37Å; W786-I806 HydrophobicContact CD2-CD1 4.1Å; W786-I806 HydrophobicContact CD2-CG1 3.7Å; W786-I806 HydrophobicContact CE3-CG1 3.87Å; W786-I806 HydrophobicContact CG-CD1 4.45Å; W786-I806 HydrophobicContact CH2-CB 3.75Å; W786-I806 HydrophobicContact CH2-CG1 3.26Å; W786-I806 HydrophobicContact CH2-CG2 4.24Å; W786-I806 HydrophobicContact CZ2-CB 4Å; W786-I806 HydrophobicContact CZ2-CD1 4.08Å; W786-I806 HydrophobicContact CZ2-CG1 3.04Å; W786-I806 HydrophobicContact CZ3-CB 4.15Å; W786-I806 HydrophobicContact CZ3-CG1 3.7Å; W786-I806 HydrophobicContact CZ3-CG2 4.13Å |
| 787 | C | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.007 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 177.3 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | I783 R784 Q785 F789 R791 F823 F824 A827 | I783-C787 WeakPolarHBondContact O-CB 3.41Å; I783-C787 PolarHBondContact O-N 3.07Å; I783-C787 PolarHBondContact O-SG 3.23Å; R784-C787 PolarHBondContact O-N 3.11Å; Q785-C787 VanDerWaalsContact C-N 3.28Å; Q785-C787 PolarHBondContact O-N 3.28Å; C787-F789 VanDerWaalsContact C-N 3.31Å; C787-F789 PolarHBondContact O-N 2.84Å; C787-R791 WeakPolarHBondContact O-CB 3.38Å; C787-R791 WeakPolarHBondContact O-CG 3.29Å; C787-R791 PolarHBondContact O-N 2.89Å; C787-F823 HydrophobicContact CB-CB 3.74Å; C787-F823 WeakPolarHBondContact CB-O 3.44Å; C787-F824 VanDerWaalsContact SG-CA 3.51Å; C787-A827 HydrophobicContact CB-CB 3.9Å |
| 788 | L | 95.8 | Very high | 95.1 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 179.5 | -72.5 | 173.4 | 0 | 0 | 0 | 113 | R784 Q785 R791 N792 F823 | R784-L788 HydrophobicContact CG-CD1 4.39Å; R784-L788 WeakPolarHBondContact O-CG 3.42Å; R784-L788 PolarHBondContact O-N 3.34Å; R784-L788 VanDerWaalsContact O-N 3.13Å; Q785-L788 WeakPolarHBondContact O-CB 3.26Å; Q785-L788 PolarHBondContact O-N 3.38Å; Q785-L788 VanDerWaalsContact O-N 3.07Å; L788-R791 VanDerWaalsContact O-CG 3.25Å; L788-R791 WeakPolarHBondContact O-CG 3.32Å; L788-N792 PolarHBondContact O-ND2 2.76Å; L788-F823 HydrophobicContact CD2-CD1 3.8Å; L788-F823 HydrophobicContact CD2-CE1 3.95Å; L788-F823 HydrophobicContact CG-CD1 4.09Å; L788-F823 HydrophobicContact CG-CE1 4.38Å |
| 789 | F | 95.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.132 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -85.4 | -49.8 | 177.7 | -64.9 | -60.3 | 0 | 0 | 0 | 112.1 | I747 H757 A761 Q785 W786 C787 R791 N792 | I747-F789 HydrophobicContact CG1-CD2 4.11Å; I747-F789 HydrophobicContact CG1-CE2 4.32Å; H757-F789 HydrophobicContact CB-CD1 3.57Å; H757-F789 HydrophobicContact CB-CD2 3.71Å; H757-F789 HydrophobicContact CB-CE1 3.57Å; H757-F789 HydrophobicContact CB-CE2 3.7Å; H757-F789 HydrophobicContact CB-CG 3.67Å; H757-F789 HydrophobicContact CB-CZ 3.65Å; H757-F789 AromaticContact CD2-CE2 3.84Å; H757-F789 AromaticContact CD2-CZ 3.87Å; H757-F789 AromaticContact CE1-CZ 3.53Å; H757-F789 AromaticContact CG-CE1 3.65Å; H757-F789 AromaticContact CG-CE2 3.6Å; H757-F789 AromaticContact CG-CZ 3.34Å; H757-F789 AromaticContact ND1-CE1 3.34Å; H757-F789 VanDerWaalsContact ND1-CE1 3.34Å; H757-F789 WeakPolarHBondContact ND1-CE1 3.19Å; H757-F789 AromaticContact ND1-CE2 3.89Å; H757-F789 AromaticContact ND1-CZ 3.13Å; H757-F789 WeakPolarHBondContact ND1-CZ 3.4Å; H757-F789 AromaticContact NE2-CZ 3.96Å; A761-F789 HydrophobicContact CB-CB 4.32Å; Q785-F789 HydrophobicContact CB-CD2 4.32Å; Q785-F789 HydrophobicContact CB-CE2 4.06Å; Q785-F789 WeakPolarHBondContact O-CD2 3.43Å; Q785-F789 PolarHBondContact O-N 3.24Å; W786-F789 PolarHBondContact O-N 3.38Å; C787-F789 VanDerWaalsContact C-N 3.31Å; C787-F789 PolarHBondContact O-N 2.84Å; F789-R791 PolarHBondContact O-N 3.22Å; F789-N792 PolarHBondContact O-N 2.97Å |
| 790 | L | 94.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -25.4 | -174 | -162.8 | 66.9 | 0 | 0 | 0 | 113.2 | I762 W786 N792 I793 K799 A802 F803 | I762-L790 HydrophobicContact CG1-CD1 4.11Å; W786-L790 HydrophobicContact CE3-CB 4.46Å; W786-L790 HydrophobicContact CH2-CB 4.4Å; W786-L790 HydrophobicContact CH2-CD2 3.09Å; W786-L790 HydrophobicContact CH2-CG 4.31Å; W786-L790 HydrophobicContact CZ2-CB 4.42Å; W786-L790 HydrophobicContact CZ2-CD2 3.06Å; W786-L790 HydrophobicContact CZ2-CG 4.28Å; W786-L790 HydrophobicContact CZ3-CB 4.39Å; W786-L790 HydrophobicContact CZ3-CD2 3.86Å; W786-L790 WeakPolarHBondContact O-CB 3.35Å; W786-L790 PolarHBondContact O-N 3.21Å; L790-N792 PolarHBondContact O-N 3.48Å; L790-N792 VanDerWaalsContact O-N 3.11Å; L790-I793 HydrophobicContact CD1-CB 4.24Å; L790-I793 HydrophobicContact CD1-CD1 3.37Å; L790-I793 HydrophobicContact CD1-CG1 4.26Å; L790-I793 PolarHBondContact O-N 3.1Å; L790-K799 HydrophobicContact CD1-CB 4.41Å; L790-K799 HydrophobicContact CD1-CG 3.73Å; L790-K799 HydrophobicContact CD2-CG 4.2Å; L790-K799 HydrophobicContact CG-CG 3.84Å; L790-K799 WeakPolarHBondContact O-CE 3.42Å; L790-A802 HydrophobicContact CD1-CB 4.41Å; L790-A802 HydrophobicContact CD2-CB 3.9Å; L790-F803 HydrophobicContact CD2-CD2 3.39Å; L790-F803 HydrophobicContact CD2-CE2 3.29Å; L790-F803 HydrophobicContact CD2-CG 4.12Å; L790-F803 HydrophobicContact CD2-CZ 3.94Å; L790-F803 HydrophobicContact CG-CD2 4.27Å; L790-F803 HydrophobicContact CG-CE2 3.76Å; L790-F803 HydrophobicContact CG-CZ 4.39Å |
| 791 | R | 92.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 51 Ų | 51 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21 | 174.5 | 68.9 | 171.8 | -65 | -179 | 13.1 | 114.1 | C787 L788 F789 D826 A827 S830 | C787-R791 WeakPolarHBondContact O-CB 3.38Å; C787-R791 WeakPolarHBondContact O-CG 3.29Å; C787-R791 PolarHBondContact O-N 2.89Å; L788-R791 VanDerWaalsContact O-CG 3.25Å; L788-R791 WeakPolarHBondContact O-CG 3.32Å; F789-R791 PolarHBondContact O-N 3.22Å; R791-D826 WeakPolarHBondContact CD-OD2 3.34Å; R791-D826 VanDerWaalsContact CZ-CG 3.47Å; R791-D826 IonicContact CZ-OD1 3.84Å; R791-D826 IonicContact CZ-OD2 2.65Å; R791-D826 IonicContact NE-OD2 2.75Å; R791-D826 PolarHBondContact NE-OD2 2.93Å; R791-D826 IonicContact NH1-OD1 2.81Å; R791-D826 IonicContact NH1-OD2 3.64Å; R791-D826 PolarHBondContact NH1-OD2 3.34Å; R791-D826 IonicContact NH2-OD1 3.45Å; R791-D826 PolarHBondContact NH2-OD1 3.39Å; R791-D826 IonicContact NH2-OD2 3.64Å; R791-D826 PolarHBondContact NH2-OD2 2.7Å; R791-A827 HydrophobicContact CB-CB 4.4Å; R791-S830 WeakPolarHBondContact CA-OG 3.47Å; R791-S830 WeakPolarHBondContact O-CB 3.46Å; R791-S830 PolarHBondContact O-OG 3.5Å |
| 792 | N | 90.1 | Very high | 94.8 | Very high | 85 Ų | 85 | 48 Ų | 48 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -9.5 | -175.9 | -62.2 | -46.3 | 0 | 0 | 0 | 113 | L788 F789 L790 | L788-N792 PolarHBondContact O-ND2 2.76Å; F789-N792 PolarHBondContact O-N 2.97Å; L790-N792 PolarHBondContact O-N 3.48Å; L790-N792 VanDerWaalsContact O-N 3.11Å |
| 793 | I | 90.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -77.6 | 141.1 | 177.9 | -66.4 | 170.5 | 0 | 0 | 0 | 109.2 | E758 I762 L790 K799 | E758-I793 HydrophobicContact CB-CD1 3.76Å; E758-I793 HydrophobicContact CB-CG1 4.21Å; E758-I793 HydrophobicContact CG-CD1 3.79Å; E758-I793 HydrophobicContact CG-CG1 3.79Å; I762-I793 HydrophobicContact CD1-CD1 3.7Å; I762-I793 HydrophobicContact CG1-CD1 3.89Å; L790-I793 HydrophobicContact CD1-CB 4.24Å; L790-I793 HydrophobicContact CD1-CD1 3.37Å; L790-I793 HydrophobicContact CD1-CG1 4.26Å; L790-I793 PolarHBondContact O-N 3.1Å; I793-K799 HydrophobicContact CB-CD 4.31Å; I793-K799 HydrophobicContact CB-CG 4.28Å; I793-K799 HydrophobicContact CG2-CB 4.11Å; I793-K799 HydrophobicContact CG2-CD 4.27Å; I793-K799 HydrophobicContact CG2-CG 4.12Å; I793-K799 WeakPolarHBondContact O-CD 3.32Å; I793-K799 WeakPolarHBondContact O-CE 3.22Å; I793-K799 PolarHBondContact O-NZ 2.92Å |
| 794 | R | 89.7 | Confident | 94.7 | Very high | 222 Ų | 222 | 49.2 Ų | 49.2 | 84% | 0.838 | 22% | 0.22 | S | C | * | . | trans | -64.3 | 152.3 | 175.5 | -64.9 | -179.3 | -178.9 | 176.7 | 1 | 110.5 | N796 K799 | R794-N796 PolarHBondContact O-N 2.99Å; R794-K799 WeakPolarHBondContact O-CD 3.45Å | ||
| 795 | D | 91.1 | Very high | 94.7 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 31% | 0.31 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -68.5 | 103.2 | 179.6 | -65.9 | -8 | 0 | 0 | 0 | 110 | K799 W831 N832 N833 | D795-K799 IonicContact OD1-NZ 3.8Å; D795-K799 PolarHBondContact OD1-NZ 3.27Å; D795-W831 HydrophobicContact CB-CZ2 4.06Å; D795-N832 PolarHBondContact OD2-N 3.21Å; D795-N833 PolarHBondContact OD2-N 3.4Å |
| 796 | N | 91.6 | Very high | 94.8 | Very high | 60 Ų | 60 | 41.6 Ų | 41.6 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -141.5 | 179.2 | -179 | 72.2 | -0.6 | 0 | 0 | 0 | 111.4 | R794 E798 K799 D800 W831 | R794-N796 PolarHBondContact O-N 2.99Å; N796-E798 VanDerWaalsContact C-N 3.33Å; N796-E798 PolarHBondContact ND2-OE2 2.97Å; N796-E798 PolarHBondContact O-N 3.36Å; N796-E798 WeakPolarHBondContact OD1-CB 3.28Å; N796-E798 PolarHBondContact OD1-N 3.5Å; N796-K799 PolarHBondContact O-N 2.98Å; N796-K799 VanDerWaalsContact OD1-CB 3.29Å; N796-K799 WeakPolarHBondContact OD1-CB 3.35Å; N796-K799 PolarHBondContact OD1-N 3.01Å; N796-D800 PolarHBondContact O-N 3.18Å; N796-D800 VanDerWaalsContact O-N 3.08Å; N796-W831 WeakPolarHBondContact O-CH2 3.3Å |
| 797 | E | 92.5 | Very high | 94.8 | Very high | 149 Ų | 149 | 41.6 Ų | 41.6 | 70% | 0.696 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.2 | -32.7 | -178.3 | -61.8 | -167.6 | 153 | 0 | 0 | 113.5 | D800 S801 | E797-D800 PolarHBondContact O-N 3.46Å; E797-S801 PolarHBondContact O-N 3.38Å; E797-S801 PolarHBondContact O-OG 3.2Å |
| 798 | E | 94 | Very high | 94.7 | Very high | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -52.2 | 176.1 | -68.9 | 154.4 | -175.7 | 0 | 0 | 110.9 | I762 N796 D800 S801 A802 | I762-E798 HydrophobicContact CD1-CB 4Å; I762-E798 HydrophobicContact CG1-CB 4.28Å; I762-E798 HydrophobicContact CG2-CB 3.96Å; I762-E798 HydrophobicContact CG2-CG 4.47Å; N796-E798 VanDerWaalsContact C-N 3.33Å; N796-E798 PolarHBondContact ND2-OE2 2.97Å; N796-E798 PolarHBondContact O-N 3.36Å; N796-E798 WeakPolarHBondContact OD1-CB 3.28Å; N796-E798 PolarHBondContact OD1-N 3.5Å; E798-D800 PolarHBondContact O-N 3.07Å; E798-S801 PolarHBondContact O-N 3Å; E798-S801 PolarHBondContact O-OG 3.25Å; E798-A802 WeakPolarHBondContact O-CB 3.4Å; E798-A802 PolarHBondContact O-N 2.97Å |
| 799 | K | 94.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.6 | -39.8 | 176 | -156.4 | -163.4 | 168.9 | 171.3 | 0 | 109.4 | L790 I793 R794 D795 N796 A802 F803 W831 | L790-K799 HydrophobicContact CD1-CB 4.41Å; L790-K799 HydrophobicContact CD1-CG 3.73Å; L790-K799 HydrophobicContact CD2-CG 4.2Å; L790-K799 HydrophobicContact CG-CG 3.84Å; L790-K799 WeakPolarHBondContact O-CE 3.42Å; I793-K799 HydrophobicContact CB-CD 4.31Å; I793-K799 HydrophobicContact CB-CG 4.28Å; I793-K799 HydrophobicContact CG2-CB 4.11Å; I793-K799 HydrophobicContact CG2-CD 4.27Å; I793-K799 HydrophobicContact CG2-CG 4.12Å; I793-K799 WeakPolarHBondContact O-CD 3.32Å; I793-K799 WeakPolarHBondContact O-CE 3.22Å; I793-K799 PolarHBondContact O-NZ 2.92Å; R794-K799 WeakPolarHBondContact O-CD 3.45Å; D795-K799 IonicContact OD1-NZ 3.8Å; D795-K799 PolarHBondContact OD1-NZ 3.27Å; N796-K799 PolarHBondContact O-N 2.98Å; N796-K799 VanDerWaalsContact OD1-CB 3.29Å; N796-K799 WeakPolarHBondContact OD1-CB 3.35Å; N796-K799 PolarHBondContact OD1-N 3.01Å; K799-A802 PolarHBondContact O-N 3.4Å; K799-F803 HydrophobicContact CD-CE2 4.36Å; K799-F803 HydrophobicContact CG-CD2 4.1Å; K799-F803 HydrophobicContact CG-CE2 3.97Å; K799-F803 WeakPolarHBondContact O-CD2 3.3Å; K799-F803 PolarHBondContact O-N 3.14Å; K799-W831 VanDerWaalsContact C-CH2 3.45Å; K799-W831 HydrophobicContact CB-CE3 4.39Å; K799-W831 HydrophobicContact CB-CH2 3.52Å; K799-W831 HydrophobicContact CB-CZ3 3.34Å; K799-W831 HydrophobicContact CD-CD2 4.29Å; K799-W831 HydrophobicContact CD-CE3 3.49Å; K799-W831 VanDerWaalsContact CD-CE3 3.49Å; K799-W831 HydrophobicContact CD-CH2 3.85Å; K799-W831 HydrophobicContact CD-CZ3 3.27Å; K799-W831 VanDerWaalsContact CE-CE3 3.46Å; K799-W831 HydrophobicContact CG-CE3 3.8Å; K799-W831 HydrophobicContact CG-CH2 3.88Å; K799-W831 HydrophobicContact CG-CZ3 3.18Å; K799-W831 WeakPolarHBondContact O-CZ3 3.49Å |
| 800 | D | 96.6 | Very high | 95 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -49.3 | -175.6 | 176.7 | 95.9 | 0 | 0 | 0 | 109.8 | N796 E797 E798 A802 F803 R804 W831 | N796-D800 PolarHBondContact O-N 3.18Å; N796-D800 VanDerWaalsContact O-N 3.08Å; E797-D800 PolarHBondContact O-N 3.46Å; E798-D800 PolarHBondContact O-N 3.07Å; D800-A802 VanDerWaalsContact C-N 3.29Å; D800-A802 PolarHBondContact O-N 3.16Å; D800-F803 PolarHBondContact O-N 3.16Å; D800-R804 VanDerWaalsContact O-CG 3.31Å; D800-R804 WeakPolarHBondContact O-CG 3.37Å; D800-R804 PolarHBondContact O-N 3.34Å; D800-R804 IonicContact OD1-NE 3.3Å; D800-R804 IonicContact OD1-NH2 3.6Å; D800-R804 IonicContact OD2-CZ 2.72Å; D800-R804 IonicContact OD2-NE 3.35Å; D800-R804 PolarHBondContact OD2-NE 2.83Å; D800-R804 IonicContact OD2-NH2 2.88Å; D800-W831 HydrophobicContact CB-CH2 3.69Å; D800-W831 HydrophobicContact CB-CZ2 4.19Å |
| 801 | S | 96.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -39 | 174.8 | 68 | 0 | 0 | 0 | 0 | 112.5 | R766 E797 E798 R804 G805 | R766-S801 WeakPolarHBondContact CG-OG 3.29Å; R766-S801 PolarHBondContact NE-OG 3.05Å; R766-S801 VanDerWaalsContact NE-OG 3.11Å; E797-S801 PolarHBondContact O-N 3.38Å; E797-S801 PolarHBondContact O-OG 3.2Å; E798-S801 PolarHBondContact O-N 3Å; E798-S801 PolarHBondContact O-OG 3.25Å; S801-R804 PolarHBondContact O-N 2.86Å; S801-G805 PolarHBondContact O-N 3.44Å; S801-G805 VanDerWaalsContact O-N 3.16Å |
| 802 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -45.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G765 W786 L790 E798 K799 D800 G805 I806 | G765-A802 WeakPolarHBondContact CA-O 3.43Å; W786-A802 HydrophobicContact CZ2-CB 4.09Å; L790-A802 HydrophobicContact CD1-CB 4.41Å; L790-A802 HydrophobicContact CD2-CB 3.9Å; E798-A802 WeakPolarHBondContact O-CB 3.4Å; E798-A802 PolarHBondContact O-N 2.97Å; K799-A802 PolarHBondContact O-N 3.4Å; D800-A802 VanDerWaalsContact C-N 3.29Å; D800-A802 PolarHBondContact O-N 3.16Å; A802-G805 PolarHBondContact O-N 3.12Å; A802-I806 PolarHBondContact O-N 2.85Å; A802-I806 VanDerWaalsContact O-N 3.09Å |
| 803 | F | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -39 | 176.3 | -90.6 | -78.6 | 0 | 0 | 0 | 112.6 | W786 L790 K799 D800 G805 I806 C807 A827 V828 W831 L838 F842 | W786-F803 AromaticContact CH2-CD1 3.74Å; W786-F803 HydrophobicContact CH2-CD1 3.74Å; W786-F803 HydrophobicContact CH2-CD2 4.31Å; W786-F803 AromaticContact CH2-CE1 3.91Å; W786-F803 HydrophobicContact CH2-CE1 3.91Å; W786-F803 HydrophobicContact CH2-CE2 4.45Å; W786-F803 AromaticContact CH2-CG 3.99Å; W786-F803 HydrophobicContact CH2-CG 3.99Å; W786-F803 HydrophobicContact CH2-CZ 4.28Å; W786-F803 HydrophobicContact CZ3-CD1 4.21Å; W786-F803 AromaticContact CZ3-CE1 3.97Å; W786-F803 HydrophobicContact CZ3-CE1 3.97Å; W786-F803 HydrophobicContact CZ3-CZ 4.37Å; L790-F803 HydrophobicContact CD2-CD2 3.39Å; L790-F803 HydrophobicContact CD2-CE2 3.29Å; L790-F803 HydrophobicContact CD2-CG 4.12Å; L790-F803 HydrophobicContact CD2-CZ 3.94Å; L790-F803 HydrophobicContact CG-CD2 4.27Å; L790-F803 HydrophobicContact CG-CE2 3.76Å; L790-F803 HydrophobicContact CG-CZ 4.39Å; K799-F803 HydrophobicContact CD-CE2 4.36Å; K799-F803 HydrophobicContact CG-CD2 4.1Å; K799-F803 HydrophobicContact CG-CE2 3.97Å; K799-F803 WeakPolarHBondContact O-CD2 3.3Å; K799-F803 PolarHBondContact O-N 3.14Å; D800-F803 PolarHBondContact O-N 3.16Å; F803-G805 PolarHBondContact O-N 3.36Å; F803-I806 PolarHBondContact O-N 3.43Å; F803-C807 PolarHBondContact O-N 2.85Å; F803-C807 PolarHBondContact O-SG 2.69Å; F803-A827 HydrophobicContact CE1-CB 4.12Å; F803-A827 HydrophobicContact CZ-CB 3.96Å; F803-A827 WeakPolarHBondContact CZ-O 3.41Å; F803-V828 HydrophobicContact CE1-CG2 4.13Å; F803-W831 AromaticContact CD2-CE3 3.41Å; F803-W831 HydrophobicContact CD2-CE3 3.41Å; F803-W831 VanDerWaalsContact CD2-CE3 3.41Å; F803-W831 AromaticContact CD2-CZ3 3.52Å; F803-W831 HydrophobicContact CD2-CZ3 3.52Å; F803-W831 AromaticContact CE2-CE3 3.55Å; F803-W831 HydrophobicContact CE2-CE3 3.55Å; F803-W831 AromaticContact CE2-CZ3 3.98Å; F803-W831 HydrophobicContact CE2-CZ3 3.98Å; F803-W831 HydrophobicContact CG-CE3 4.31Å; F803-W831 HydrophobicContact CG-CZ3 4.48Å; F803-L838 HydrophobicContact CB-CD1 4.23Å; F803-L838 HydrophobicContact CB-CD2 4.17Å; F803-F842 HydrophobicContact CB-CE1 3.98Å; F803-F842 HydrophobicContact CB-CZ 3.76Å; F803-F842 AromaticContact CD1-CE1 3.47Å; F803-F842 HydrophobicContact CD1-CE1 3.47Å; F803-F842 VanDerWaalsContact CD1-CE1 3.47Å; F803-F842 AromaticContact CD1-CZ 3.45Å; F803-F842 HydrophobicContact CD1-CZ 3.45Å; F803-F842 VanDerWaalsContact CD1-CZ 3.45Å; F803-F842 HydrophobicContact CD2-CZ 4.48Å; F803-F842 HydrophobicContact CE1-CE1 4.25Å; F803-F842 HydrophobicContact CE1-CZ 4.12Å; F803-F842 HydrophobicContact CG-CE1 4Å; F803-F842 AromaticContact CG-CZ 3.65Å; F803-F842 HydrophobicContact CG-CZ 3.65Å |
| 804 | R | 97.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.8 | -42.7 | 174.1 | -72.9 | 171.4 | -176.5 | -76.4 | -12 | 111.3 | F769 D800 S801 C807 N808 D837 L838 | F769-R804 HydrophobicContact CD2-CB 3.56Å; F769-R804 HydrophobicContact CE2-CB 3.73Å; F769-R804 HydrophobicContact CE2-CG 4.37Å; F769-R804 HydrophobicContact CG-CB 4.26Å; D800-R804 VanDerWaalsContact O-CG 3.31Å; D800-R804 WeakPolarHBondContact O-CG 3.37Å; D800-R804 PolarHBondContact O-N 3.34Å; D800-R804 IonicContact OD1-NE 3.3Å; D800-R804 IonicContact OD1-NH2 3.6Å; D800-R804 IonicContact OD2-CZ 2.72Å; D800-R804 IonicContact OD2-NE 3.35Å; D800-R804 PolarHBondContact OD2-NE 2.83Å; D800-R804 IonicContact OD2-NH2 2.88Å; S801-R804 PolarHBondContact O-N 2.86Å; R804-C807 PolarHBondContact O-N 3.37Å; R804-N808 VanDerWaalsContact O-CG 3.31Å; R804-N808 PolarHBondContact O-N 3.22Å; R804-N808 PolarHBondContact O-OD1 3.22Å; R804-D837 IonicContact CZ-OD1 2.9Å; R804-D837 IonicContact CZ-OD2 3.69Å; R804-D837 VanDerWaalsContact CZ-OD2 3.31Å; R804-D837 IonicContact NH1-OD1 3.3Å; R804-D837 IonicContact NH1-OD2 2.93Å; R804-D837 PolarHBondContact NH1-OD2 3.12Å; R804-D837 VanDerWaalsContact NH2-CG 3.33Å; R804-D837 IonicContact NH2-OD1 3.57Å; R804-D837 PolarHBondContact NH2-OD1 3.25Å; R804-D837 IonicContact NH2-OD2 2.74Å; R804-D837 PolarHBondContact NH2-OD2 3.34Å; R804-D837 VanDerWaalsContact NH2-OD2 3.1Å; R804-L838 HydrophobicContact CG-CD1 3.94Å |
| 805 | G | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.4 | -46.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G765 F769 S801 A802 F803 C807 N808 L809 | G765-G805 VanDerWaalsContact O-CA 3.29Å; G765-G805 WeakPolarHBondContact O-CA 3.35Å; F769-G805 VanDerWaalsContact N-CA 3.27Å; S801-G805 PolarHBondContact O-N 3.44Å; S801-G805 VanDerWaalsContact O-N 3.16Å; A802-G805 PolarHBondContact O-N 3.12Å; F803-G805 PolarHBondContact O-N 3.36Å; G805-C807 VanDerWaalsContact C-N 3.29Å; G805-C807 PolarHBondContact O-N 3.48Å; G805-N808 WeakPolarHBondContact O-CA 3.48Å; G805-N808 WeakPolarHBondContact O-CB 3.36Å; G805-N808 PolarHBondContact O-N 3.42Å; G805-L809 WeakPolarHBondContact O-CG 3.43Å; G805-L809 PolarHBondContact O-N 2.82Å |
| 806 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -37.3 | 176 | -67.4 | -49 | 0 | 0 | 0 | 112.2 | F782 I783 W786 A802 F803 N808 L809 I810 F824 | F782-I806 HydrophobicContact CE2-CD1 3.89Å; F782-I806 HydrophobicContact CZ-CD1 4.49Å; I783-I806 HydrophobicContact CD1-CG2 3.8Å; W786-I806 HydrophobicContact CD2-CD1 4.1Å; W786-I806 HydrophobicContact CD2-CG1 3.7Å; W786-I806 HydrophobicContact CE3-CG1 3.87Å; W786-I806 HydrophobicContact CG-CD1 4.45Å; W786-I806 HydrophobicContact CH2-CB 3.75Å; W786-I806 HydrophobicContact CH2-CG1 3.26Å; W786-I806 HydrophobicContact CH2-CG2 4.24Å; W786-I806 HydrophobicContact CZ2-CB 4Å; W786-I806 HydrophobicContact CZ2-CD1 4.08Å; W786-I806 HydrophobicContact CZ2-CG1 3.04Å; W786-I806 HydrophobicContact CZ3-CB 4.15Å; W786-I806 HydrophobicContact CZ3-CG1 3.7Å; W786-I806 HydrophobicContact CZ3-CG2 4.13Å; A802-I806 PolarHBondContact O-N 2.85Å; A802-I806 VanDerWaalsContact O-N 3.09Å; F803-I806 PolarHBondContact O-N 3.43Å; I806-N808 VanDerWaalsContact C-N 3.31Å; I806-N808 PolarHBondContact O-N 2.95Å; I806-L809 HydrophobicContact CD1-CD1 3.72Å; I806-L809 PolarHBondContact O-N 3.18Å; I806-I810 HydrophobicContact CG2-CD1 3.67Å; I806-I810 HydrophobicContact CG2-CG1 4.17Å; I806-I810 VanDerWaalsContact O-CG1 3.32Å; I806-I810 WeakPolarHBondContact O-CG1 3.42Å; I806-I810 PolarHBondContact O-N 3Å; I806-F824 HydrophobicContact CG2-CD2 4.14Å; I806-F824 HydrophobicContact CG2-CE2 3.89Å |
| 807 | C | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 172.2 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | F803 R804 G805 T811 R841 I845 | F803-C807 PolarHBondContact O-N 2.85Å; F803-C807 PolarHBondContact O-SG 2.69Å; R804-C807 PolarHBondContact O-N 3.37Å; G805-C807 VanDerWaalsContact C-N 3.29Å; G805-C807 PolarHBondContact O-N 3.48Å; C807-T811 WeakPolarHBondContact O-CB 3.28Å; C807-T811 PolarHBondContact O-N 3.37Å; C807-T811 PolarHBondContact O-OG1 2.95Å; C807-R841 HydrophobicContact CB-CB 4.26Å; C807-I845 HydrophobicContact CB-CD1 3.78Å |
| 808 | N | 97.7 | Very high | 96.3 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 174.8 | -67.4 | -12.9 | 0 | 0 | 0 | 111.5 | F769 P772 R804 G805 I806 T811 L812 R841 | F769-N808 PolarHBondContact O-ND2 3.33Å; P772-N808 HydrophobicContact CB-CB 3.98Å; P772-N808 HydrophobicContact CG-CB 4.33Å; R804-N808 VanDerWaalsContact O-CG 3.31Å; R804-N808 PolarHBondContact O-N 3.22Å; R804-N808 PolarHBondContact O-OD1 3.22Å; G805-N808 WeakPolarHBondContact O-CA 3.48Å; G805-N808 WeakPolarHBondContact O-CB 3.36Å; G805-N808 PolarHBondContact O-N 3.42Å; I806-N808 VanDerWaalsContact C-N 3.31Å; I806-N808 PolarHBondContact O-N 2.95Å; N808-T811 PolarHBondContact O-N 2.99Å; N808-L812 PolarHBondContact O-N 3.16Å; N808-L812 VanDerWaalsContact O-N 3.11Å; N808-R841 PolarHBondContact OD1-NH1 3.27Å |
| 809 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 177.7 | -60.8 | -172.7 | 0 | 0 | 0 | 112.4 | P772 L775 A776 L779 F782 G805 I806 T811 L812 N813 | P772-L809 HydrophobicContact CB-CD2 3.8Å; P772-L809 VanDerWaalsContact O-CD2 3.31Å; P772-L809 WeakPolarHBondContact O-CD2 3.45Å; L775-L809 HydrophobicContact CB-CD1 4.42Å; L775-L809 HydrophobicContact CB-CD2 3.97Å; L775-L809 HydrophobicContact CD2-CD1 3.62Å; L775-L809 HydrophobicContact CD2-CD2 4.36Å; L775-L809 HydrophobicContact CG-CD1 3.78Å; L775-L809 HydrophobicContact CG-CD2 4.25Å; A776-L809 HydrophobicContact CB-CD2 4.12Å; L779-L809 HydrophobicContact CD1-CB 4.05Å; L779-L809 HydrophobicContact CD1-CD1 4.1Å; L779-L809 HydrophobicContact CD2-CB 4.35Å; F782-L809 HydrophobicContact CE2-CD1 4.41Å; F782-L809 HydrophobicContact CZ-CD1 3.74Å; G805-L809 WeakPolarHBondContact O-CG 3.43Å; G805-L809 PolarHBondContact O-N 2.82Å; I806-L809 HydrophobicContact CD1-CD1 3.72Å; I806-L809 PolarHBondContact O-N 3.18Å; L809-T811 VanDerWaalsContact C-N 3.26Å; L809-T811 PolarHBondContact O-N 3.25Å; L809-L812 PolarHBondContact O-N 3.22Å; L809-N813 PolarHBondContact O-N 3.12Å |
| 810 | I | 97.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 177.5 | -68.7 | 168.8 | 0 | 0 | 0 | 110.2 | L779 I806 L812 N813 P814 V817 F824 I845 | L779-I810 HydrophobicContact CD2-CG1 3.91Å; I806-I810 HydrophobicContact CG2-CD1 3.67Å; I806-I810 HydrophobicContact CG2-CG1 4.17Å; I806-I810 VanDerWaalsContact O-CG1 3.32Å; I806-I810 WeakPolarHBondContact O-CG1 3.42Å; I806-I810 PolarHBondContact O-N 3Å; I810-L812 VanDerWaalsContact C-N 3.3Å; I810-L812 PolarHBondContact O-N 2.72Å; I810-N813 CarbonylContact O-C 3.55Å; I810-N813 VanDerWaalsContact O-C 3.3Å; I810-N813 PolarHBondContact O-N 3.13Å; I810-P814 VanDerWaalsContact O-CA 3.27Å; I810-P814 WeakPolarHBondContact O-CA 3.2Å; I810-P814 WeakPolarHBondContact O-CD 3.16Å; I810-P814 VanDerWaalsContact O-CG 3.25Å; I810-P814 WeakPolarHBondContact O-CG 3.41Å; I810-V817 HydrophobicContact CD1-CB 4.49Å; I810-V817 HydrophobicContact CD1-CG1 4.34Å; I810-V817 HydrophobicContact CD1-CG2 4.36Å; I810-V817 HydrophobicContact CG1-CB 4.24Å; I810-V817 HydrophobicContact CG1-CG1 4.07Å; I810-V817 HydrophobicContact CG2-CG1 4.02Å; I810-F824 HydrophobicContact CD1-CD1 4.29Å; I810-F824 HydrophobicContact CD1-CD2 3.66Å; I810-F824 HydrophobicContact CD1-CE1 4.12Å; I810-F824 HydrophobicContact CD1-CE2 3.46Å; I810-F824 VanDerWaalsContact CD1-CE2 3.46Å; I810-F824 HydrophobicContact CD1-CG 4.07Å; I810-F824 HydrophobicContact CD1-CZ 3.7Å; I810-I845 HydrophobicContact CB-CD1 4.19Å; I810-I845 HydrophobicContact CD1-CD1 4.33Å; I810-I845 HydrophobicContact CD1-CG2 4.49Å; I810-I845 HydrophobicContact CG2-CD1 4.13Å; I810-I845 HydrophobicContact CG2-CG1 4.2Å; I810-I845 HydrophobicContact CG2-CG2 3.88Å |
| 811 | T | 96.3 | Very high | 96.2 | Very high | 97 Ų | 97 | 35 Ų | 35 | 60% | 0.595 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.7 | -36.9 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | C807 N808 L809 | C807-T811 WeakPolarHBondContact O-CB 3.28Å; C807-T811 PolarHBondContact O-N 3.37Å; C807-T811 PolarHBondContact O-OG1 2.95Å; N808-T811 PolarHBondContact O-N 2.99Å; L809-T811 VanDerWaalsContact C-N 3.26Å; L809-T811 PolarHBondContact O-N 3.25Å |
| 812 | L | 96.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 36.9 Ų | 36.9 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -80.6 | -34 | 177.3 | -67.4 | -174.9 | 0 | 0 | 0 | 113.7 | P772 A776 N808 L809 I810 | P772-L812 HydrophobicContact CB-CD1 3.66Å; P772-L812 HydrophobicContact CG-CD1 4.08Å; A776-L812 HydrophobicContact CB-CB 3.8Å; A776-L812 HydrophobicContact CB-CD1 4.23Å; N808-L812 PolarHBondContact O-N 3.16Å; N808-L812 VanDerWaalsContact O-N 3.11Å; L809-L812 PolarHBondContact O-N 3.22Å; I810-L812 VanDerWaalsContact C-N 3.3Å; I810-L812 PolarHBondContact O-N 2.72Å |
| 813 | N | 97 | Very high | 96 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | trans | -135.4 | 74.4 | 179.8 | -176.9 | 12.4 | 0 | 0 | 0 | 111.9 | A776 L779 L809 I810 A815 G816 | A776-N813 HydrophobicContact CB-CB 4.12Å; A776-N813 WeakPolarHBondContact O-CB 3.38Å; A776-N813 PolarHBondContact O-ND2 3.29Å; L779-N813 WeakPolarHBondContact CD2-O 3.42Å; L809-N813 PolarHBondContact O-N 3.12Å; I810-N813 CarbonylContact O-C 3.55Å; I810-N813 VanDerWaalsContact O-C 3.3Å; I810-N813 PolarHBondContact O-N 3.13Å; N813-A815 PolarHBondContact O-N 3.01Å; N813-G816 PolarHBondContact O-N 3.18Å; N813-G816 PolarHBondContact OD1-N 3.03Å; N813-G816 VanDerWaalsContact OD1-N 3.17Å | ||
| 814 | P | 94.5 | Very high | 96 | Very high | 56 Ų | 56 | 39.2 Ų | 39.2 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -60.6 | -31.1 | 179.4 | -23 | 31.7 | 0 | 0 | 0 | 113.3 | I810 G816 V817 | I810-P814 VanDerWaalsContact O-CA 3.27Å; I810-P814 WeakPolarHBondContact O-CA 3.2Å; I810-P814 WeakPolarHBondContact O-CD 3.16Å; I810-P814 VanDerWaalsContact O-CG 3.25Å; I810-P814 WeakPolarHBondContact O-CG 3.41Å; P814-G816 PolarHBondContact O-N 3.34Å; P814-V817 WeakPolarHBondContact O-CG1 3.43Å; P814-V817 PolarHBondContact O-N 3.48Å |
| 815 | A | 94.4 | Very high | 95.9 | Very high | 70 Ų | 70 | 38 Ų | 38 | 58% | 0.579 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -63.9 | -28 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N813 V817 L818 | N813-A815 PolarHBondContact O-N 3.01Å; A815-V817 PolarHBondContact O-N 2.9Å; A815-L818 WeakPolarHBondContact O-CB 3.24Å; A815-L818 PolarHBondContact O-N 3.43Å |
| 816 | G | 94.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.3 | -24 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S780 N813 P814 | S780-G816 WeakPolarHBondContact CA-O 3.42Å; S780-G816 VanDerWaalsContact CB-O 3.3Å; S780-G816 WeakPolarHBondContact CB-O 3.38Å; S780-G816 PolarHBondContact N-O 2.91Å; N813-G816 PolarHBondContact O-N 3.18Å; N813-G816 PolarHBondContact OD1-N 3.03Å; N813-G816 VanDerWaalsContact OD1-N 3.17Å; P814-G816 PolarHBondContact O-N 3.34Å |
| 817 | V | 95.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -101.7 | -8 | 179.1 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | L779 I783 I810 P814 A815 H819 D820 F821 F824 | L779-V817 HydrophobicContact CD2-CB 4.37Å; I783-V817 HydrophobicContact CG1-CB 4.44Å; I783-V817 HydrophobicContact CG1-CG2 3.84Å; I810-V817 HydrophobicContact CD1-CB 4.49Å; I810-V817 HydrophobicContact CD1-CG1 4.34Å; I810-V817 HydrophobicContact CD1-CG2 4.36Å; I810-V817 HydrophobicContact CG1-CB 4.24Å; I810-V817 HydrophobicContact CG1-CG1 4.07Å; I810-V817 HydrophobicContact CG2-CG1 4.02Å; P814-V817 WeakPolarHBondContact O-CG1 3.43Å; P814-V817 PolarHBondContact O-N 3.48Å; A815-V817 PolarHBondContact O-N 2.9Å; V817-H819 VanDerWaalsContact C-N 3.33Å; V817-H819 PolarHBondContact O-N 3.15Å; V817-H819 VanDerWaalsContact O-N 3.16Å; V817-D820 CarbonylContact O-C 3.36Å; V817-D820 PolarHBondContact O-N 2.94Å; V817-F821 HydrophobicContact CG1-CD2 4.08Å; V817-F821 HydrophobicContact CG2-CD2 4.18Å; V817-F821 WeakPolarHBondContact O-CA 3.32Å; V817-F821 PolarHBondContact O-N 2.97Å; V817-F824 HydrophobicContact CG2-CB 3.96Å; V817-F824 HydrophobicContact CG2-CG 4.46Å |
| 818 | L | 92 | Very high | 95.6 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 46% | 0.455 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -52.8 | -44.8 | -168.6 | -178.2 | 63.6 | 0 | 0 | 0 | 114 | A815 D820 F849 | A815-L818 WeakPolarHBondContact O-CB 3.24Å; A815-L818 PolarHBondContact O-N 3.43Å; L818-D820 VanDerWaalsContact C-N 3.35Å; L818-F849 HydrophobicContact CD1-CE2 3.49Å; L818-F849 VanDerWaalsContact CD1-CE2 3.49Å; L818-F849 HydrophobicContact CD1-CZ 3.74Å |
| 819 | H | 92 | Very high | 95.5 | Very high | 172 Ų | 172 | 37.9 Ų | 37.9 | 80% | 0.796 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -75.7 | -22.9 | -178.1 | -69.3 | -63 | 0 | 0 | 0 | 113.8 | V817 | V817-H819 VanDerWaalsContact C-N 3.33Å; V817-H819 PolarHBondContact O-N 3.15Å; V817-H819 VanDerWaalsContact O-N 3.16Å |
| 820 | D | 95.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -118 | 16.6 | -175 | -66 | -64.2 | 0 | 0 | 0 | 112.3 | I783 R784 V817 L818 L822 F823 F824 | I783-D820 HydrophobicContact CG2-CB 4.05Å; R784-D820 HydrophobicContact CB-CB 4.15Å; R784-D820 WeakPolarHBondContact CD-OD1 3.44Å; V817-D820 CarbonylContact O-C 3.36Å; V817-D820 PolarHBondContact O-N 2.94Å; L818-D820 VanDerWaalsContact C-N 3.35Å; D820-L822 PolarHBondContact O-N 2.73Å; D820-L822 VanDerWaalsContact O-N 3.13Å; D820-F823 HydrophobicContact CB-CD2 4Å; D820-F823 WeakPolarHBondContact O-CB 3.05Å; D820-F823 PolarHBondContact O-N 3.45Å; D820-F824 PolarHBondContact O-N 3.17Å |
| 821 | F | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -30.6 | -174.6 | -171.9 | -107.5 | 0 | 0 | 0 | 112.9 | V817 F823 F824 C825 I845 L846 F849 W858 F861 | V817-F821 HydrophobicContact CG1-CD2 4.08Å; V817-F821 HydrophobicContact CG2-CD2 4.18Å; V817-F821 WeakPolarHBondContact O-CA 3.32Å; V817-F821 PolarHBondContact O-N 2.97Å; F821-F823 VanDerWaalsContact C-N 3.29Å; F821-F823 PolarHBondContact O-N 2.87Å; F821-F824 HydrophobicContact CD2-CD1 4.25Å; F821-F824 AromaticContact CE2-CD1 3.89Å; F821-F824 HydrophobicContact CE2-CD1 3.89Å; F821-F824 HydrophobicContact CE2-CE1 4.45Å; F821-F824 WeakPolarHBondContact O-CB 3.47Å; F821-F824 PolarHBondContact O-N 3.22Å; F821-C825 WeakPolarHBondContact CE1-SG 3.29Å; F821-C825 PolarHBondContact O-N 3.49Å; F821-C825 PolarHBondContact O-SG 2.87Å; F821-C825 VanDerWaalsContact O-SG 3.37Å; F821-I845 HydrophobicContact CE2-CG2 4.05Å; F821-L846 HydrophobicContact CE1-CD2 4.48Å; F821-L846 HydrophobicContact CZ-CD2 3.99Å; F821-F849 HydrophobicContact CB-CE2 3.93Å; F821-F849 HydrophobicContact CB-CZ 3.89Å; F821-F849 AromaticContact CD1-CD1 3.47Å; F821-F849 HydrophobicContact CD1-CD1 3.47Å; F821-F849 VanDerWaalsContact CD1-CD1 3.47Å; F821-F849 AromaticContact CD1-CD2 3.96Å; F821-F849 HydrophobicContact CD1-CD2 3.96Å; F821-F849 AromaticContact CD1-CE1 3.42Å; F821-F849 HydrophobicContact CD1-CE1 3.42Å; F821-F849 VanDerWaalsContact CD1-CE1 3.42Å; F821-F849 AromaticContact CD1-CE2 3.92Å; F821-F849 HydrophobicContact CD1-CE2 3.92Å; F821-F849 AromaticContact CD1-CG 3.72Å; F821-F849 HydrophobicContact CD1-CG 3.72Å; F821-F849 AromaticContact CD1-CZ 3.65Å; F821-F849 HydrophobicContact CD1-CZ 3.65Å; F821-F849 AromaticContact CD2-CD2 3.72Å; F821-F849 HydrophobicContact CD2-CD2 3.72Å; F821-F849 AromaticContact CD2-CE2 3.94Å; F821-F849 HydrophobicContact CD2-CE2 3.94Å; F821-F849 HydrophobicContact CD2-CG 4.08Å; F821-F849 HydrophobicContact CD2-CZ 4.48Å; F821-F849 HydrophobicContact CE1-CB 3.76Å; F821-F849 AromaticContact CE1-CD1 3.28Å; F821-F849 HydrophobicContact CE1-CD1 3.28Å; F821-F849 HydrophobicContact CE1-CD2 4.04Å; F821-F849 AromaticContact CE1-CE1 3.78Å; F821-F849 HydrophobicContact CE1-CE1 3.78Å; F821-F849 HydrophobicContact CE1-CE2 4.45Å; F821-F849 AromaticContact CE1-CG 3.42Å; F821-F849 HydrophobicContact CE1-CG 3.42Å; F821-F849 VanDerWaalsContact CE1-CG 3.42Å; F821-F849 HydrophobicContact CE1-CZ 4.33Å; F821-F849 HydrophobicContact CE2-CB 3.82Å; F821-F849 HydrophobicContact CE2-CD1 4.48Å; F821-F849 AromaticContact CE2-CD2 3.79Å; F821-F849 HydrophobicContact CE2-CD2 3.79Å; F821-F849 HydrophobicContact CE2-CE2 4.45Å; F821-F849 AromaticContact CE2-CG 3.79Å; F821-F849 HydrophobicContact CE2-CG 3.79Å; F821-F849 HydrophobicContact CG-CD1 4.17Å; F821-F849 AromaticContact CG-CD2 3.81Å; F821-F849 HydrophobicContact CG-CD2 3.81Å; F821-F849 HydrophobicContact CG-CE1 4.02Å; F821-F849 AromaticContact CG-CE2 3.65Å; F821-F849 HydrophobicContact CG-CE2 3.65Å; F821-F849 HydrophobicContact CG-CG 4.05Å; F821-F849 AromaticContact CG-CZ 3.75Å; F821-F849 HydrophobicContact CG-CZ 3.75Å; F821-F849 HydrophobicContact CZ-CB 3.35Å; F821-F849 AromaticContact CZ-CD1 3.84Å; F821-F849 HydrophobicContact CZ-CD1 3.84Å; F821-F849 AromaticContact CZ-CD2 3.95Å; F821-F849 HydrophobicContact CZ-CD2 3.95Å; F821-F849 AromaticContact CZ-CG 3.44Å; F821-F849 HydrophobicContact CZ-CG 3.44Å; F821-F849 VanDerWaalsContact CZ-CG 3.44Å; F821-W858 HydrophobicContact CE1-CZ3 4.23Å; F821-F861 AromaticContact CD1-CE1 4Å; F821-F861 HydrophobicContact CD1-CE1 4Å; F821-F861 HydrophobicContact CD1-CE2 4.13Å; F821-F861 AromaticContact CD1-CZ 3.57Å; F821-F861 HydrophobicContact CD1-CZ 3.57Å; F821-F861 HydrophobicContact CE1-CE1 4.29Å; F821-F861 HydrophobicContact CE1-CZ 4.26Å |
| 822 | L | 94.8 | Very high | 94.5 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 173.3 | -176.1 | 60.4 | 0 | 0 | 0 | 112.7 | D820 C825 D826 F861 C865 L869 | D820-L822 PolarHBondContact O-N 2.73Å; D820-L822 VanDerWaalsContact O-N 3.13Å; L822-C825 WeakPolarHBondContact O-CB 3.47Å; L822-C825 PolarHBondContact O-N 2.94Å; L822-D826 PolarHBondContact O-N 3.15Å; L822-F861 HydrophobicContact CB-CE2 3.93Å; L822-F861 HydrophobicContact CB-CZ 4.12Å; L822-F861 HydrophobicContact CD1-CE2 4.49Å; L822-F861 HydrophobicContact CD1-CZ 4.14Å; L822-C865 HydrophobicContact CD1-CB 4.13Å; L822-C865 WeakPolarHBondContact CD1-SG 3.23Å; L822-L869 HydrophobicContact CD1-CD2 3.86Å |
| 823 | F | 96.1 | Very high | 94.1 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 21% | 0.211 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.8 | -63.7 | -85.5 | 0 | 0 | 0 | 111.1 | R784 C787 L788 D820 F821 D826 A827 | R784-F823 HydrophobicContact CG-CD1 4.27Å; R784-F823 HydrophobicContact CG-CD2 3.91Å; R784-F823 HydrophobicContact CG-CE1 4.32Å; R784-F823 HydrophobicContact CG-CE2 3.96Å; R784-F823 HydrophobicContact CG-CG 4.08Å; R784-F823 HydrophobicContact CG-CZ 4.18Å; C787-F823 HydrophobicContact CB-CB 3.74Å; C787-F823 WeakPolarHBondContact CB-O 3.44Å; L788-F823 HydrophobicContact CD2-CD1 3.8Å; L788-F823 HydrophobicContact CD2-CE1 3.95Å; L788-F823 HydrophobicContact CG-CD1 4.09Å; L788-F823 HydrophobicContact CG-CE1 4.38Å; D820-F823 HydrophobicContact CB-CD2 4Å; D820-F823 WeakPolarHBondContact O-CB 3.05Å; D820-F823 PolarHBondContact O-N 3.45Å; F821-F823 VanDerWaalsContact C-N 3.29Å; F821-F823 PolarHBondContact O-N 2.87Å; F823-D826 PolarHBondContact O-N 2.88Å; F823-A827 WeakPolarHBondContact O-CB 3.4Å; F823-A827 PolarHBondContact O-N 2.93Å |
| 824 | F | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.9 | 177.1 | -102.5 | 0 | 0 | 0 | 111.7 | C787 I806 I810 V817 D820 F821 D826 A827 V828 F842 I845 | C787-F824 VanDerWaalsContact SG-CA 3.51Å; I806-F824 HydrophobicContact CG2-CD2 4.14Å; I806-F824 HydrophobicContact CG2-CE2 3.89Å; I810-F824 HydrophobicContact CD1-CD1 4.29Å; I810-F824 HydrophobicContact CD1-CD2 3.66Å; I810-F824 HydrophobicContact CD1-CE1 4.12Å; I810-F824 HydrophobicContact CD1-CE2 3.46Å; I810-F824 VanDerWaalsContact CD1-CE2 3.46Å; I810-F824 HydrophobicContact CD1-CG 4.07Å; I810-F824 HydrophobicContact CD1-CZ 3.7Å; V817-F824 HydrophobicContact CG2-CB 3.96Å; V817-F824 HydrophobicContact CG2-CG 4.46Å; D820-F824 PolarHBondContact O-N 3.17Å; F821-F824 HydrophobicContact CD2-CD1 4.25Å; F821-F824 AromaticContact CE2-CD1 3.89Å; F821-F824 HydrophobicContact CE2-CD1 3.89Å; F821-F824 HydrophobicContact CE2-CE1 4.45Å; F821-F824 WeakPolarHBondContact O-CB 3.47Å; F821-F824 PolarHBondContact O-N 3.22Å; F824-D826 VanDerWaalsContact C-N 3.33Å; F824-D826 PolarHBondContact O-N 3.45Å; F824-A827 PolarHBondContact O-N 3.13Å; F824-V828 HydrophobicContact CD1-CG2 4.24Å; F824-V828 HydrophobicContact CD2-CG2 4.32Å; F824-V828 HydrophobicContact CE1-CG2 3.75Å; F824-V828 HydrophobicContact CE2-CG2 3.84Å; F824-V828 HydrophobicContact CZ-CG2 3.53Å; F824-V828 WeakPolarHBondContact O-CG2 3.23Å; F824-V828 PolarHBondContact O-N 3.32Å; F824-F842 HydrophobicContact CZ-CD1 4.36Å; F824-I845 HydrophobicContact CD1-CG2 4.32Å; F824-I845 HydrophobicContact CE1-CB 4.33Å; F824-I845 HydrophobicContact CE1-CG2 3.55Å; F824-I845 HydrophobicContact CZ-CD1 4.16Å; F824-I845 HydrophobicContact CZ-CG2 4.13Å |
| 825 | C | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -45.1 | 174 | -73.5 | 0 | 0 | 0 | 0 | 112.5 | F821 L822 V828 A829 L846 L873 | F821-C825 WeakPolarHBondContact CE1-SG 3.29Å; F821-C825 PolarHBondContact O-N 3.49Å; F821-C825 PolarHBondContact O-SG 2.87Å; F821-C825 VanDerWaalsContact O-SG 3.37Å; L822-C825 WeakPolarHBondContact O-CB 3.47Å; L822-C825 PolarHBondContact O-N 2.94Å; C825-V828 PolarHBondContact O-N 2.98Å; C825-A829 WeakPolarHBondContact O-CB 3.35Å; C825-A829 PolarHBondContact O-N 3.17Å; C825-L846 VanDerWaalsContact SG-CD2 3.55Å; C825-L873 HydrophobicContact CB-CD1 3.87Å |
| 826 | D | 94.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 177.4 | 179.5 | 54.9 | 0 | 0 | 0 | 112.5 | R791 L822 F823 F824 A829 S830 L869 | R791-D826 WeakPolarHBondContact CD-OD2 3.34Å; R791-D826 VanDerWaalsContact CZ-CG 3.47Å; R791-D826 IonicContact CZ-OD1 3.84Å; R791-D826 IonicContact CZ-OD2 2.65Å; R791-D826 IonicContact NE-OD2 2.75Å; R791-D826 PolarHBondContact NE-OD2 2.93Å; R791-D826 IonicContact NH1-OD1 2.81Å; R791-D826 IonicContact NH1-OD2 3.64Å; R791-D826 PolarHBondContact NH1-OD2 3.34Å; R791-D826 IonicContact NH2-OD1 3.45Å; R791-D826 PolarHBondContact NH2-OD1 3.39Å; R791-D826 IonicContact NH2-OD2 3.64Å; R791-D826 PolarHBondContact NH2-OD2 2.7Å; L822-D826 PolarHBondContact O-N 3.15Å; F823-D826 PolarHBondContact O-N 2.88Å; F824-D826 VanDerWaalsContact C-N 3.33Å; F824-D826 PolarHBondContact O-N 3.45Å; D826-A829 PolarHBondContact O-N 2.85Å; D826-S830 PolarHBondContact O-N 3.14Å; D826-S830 VanDerWaalsContact O-N 3.12Å; D826-L869 HydrophobicContact CB-CD1 4.28Å; D826-L869 HydrophobicContact CB-CD2 3.96Å |
| 827 | A | 96 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | C787 R791 F803 F823 F824 A829 S830 | C787-A827 HydrophobicContact CB-CB 3.9Å; R791-A827 HydrophobicContact CB-CB 4.4Å; F803-A827 HydrophobicContact CE1-CB 4.12Å; F803-A827 HydrophobicContact CZ-CB 3.96Å; F803-A827 WeakPolarHBondContact CZ-O 3.41Å; F823-A827 WeakPolarHBondContact O-CB 3.4Å; F823-A827 PolarHBondContact O-N 2.93Å; F824-A827 PolarHBondContact O-N 3.13Å; A827-A829 PolarHBondContact O-N 3.06Å; A827-S830 WeakPolarHBondContact O-CB 3.41Å; A827-S830 PolarHBondContact O-N 3.29Å; A827-S830 VanDerWaalsContact O-N 3.16Å; A827-S830 PolarHBondContact O-OG 3.18Å |
| 828 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 111.5 | F803 F824 C825 S830 W831 F842 L846 Y877 | F803-V828 HydrophobicContact CE1-CG2 4.13Å; F824-V828 HydrophobicContact CD1-CG2 4.24Å; F824-V828 HydrophobicContact CD2-CG2 4.32Å; F824-V828 HydrophobicContact CE1-CG2 3.75Å; F824-V828 HydrophobicContact CE2-CG2 3.84Å; F824-V828 HydrophobicContact CZ-CG2 3.53Å; F824-V828 WeakPolarHBondContact O-CG2 3.23Å; F824-V828 PolarHBondContact O-N 3.32Å; C825-V828 PolarHBondContact O-N 2.98Å; V828-S830 PolarHBondContact O-N 2.89Å; V828-W831 PolarHBondContact O-N 3.01Å; V828-F842 HydrophobicContact CG1-CB 3.94Å; V828-F842 HydrophobicContact CG1-CD1 4.27Å; V828-F842 HydrophobicContact CG1-CD2 3.82Å; V828-F842 HydrophobicContact CG1-CE2 4.33Å; V828-F842 HydrophobicContact CG1-CG 3.76Å; V828-F842 HydrophobicContact CG2-CD1 3.73Å; V828-F842 HydrophobicContact CG2-CE1 3.89Å; V828-F842 HydrophobicContact CG2-CG 4.1Å; V828-F842 HydrophobicContact CG2-CZ 4.34Å; V828-L846 HydrophobicContact CG1-CD1 4.28Å; V828-Y877 HydrophobicContact CG1-CD2 4.42Å; V828-Y877 HydrophobicContact CG1-CE1 4.33Å; V828-Y877 HydrophobicContact CG1-CE2 3.51Å; V828-Y877 VanDerWaalsContact CG1-CZ 3.47Å; V828-Y877 WeakPolarHBondContact CG1-OH 3.25Å |
| 829 | A | 94.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.2 | -11.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | C825 D826 A827 W831 L869 R872 L873 | C825-A829 WeakPolarHBondContact O-CB 3.35Å; C825-A829 PolarHBondContact O-N 3.17Å; D826-A829 PolarHBondContact O-N 2.85Å; A827-A829 PolarHBondContact O-N 3.06Å; A829-W831 VanDerWaalsContact C-N 3.32Å; A829-L869 HydrophobicContact CB-CD1 3.42Å; A829-L869 VanDerWaalsContact CB-CD1 3.42Å; A829-R872 HydrophobicContact CB-CB 4.31Å; A829-R872 PolarHBondContact O-NH1 2.97Å; A829-L873 HydrophobicContact CB-CD2 3.94Å; A829-L873 HydrophobicContact CB-CG 4.14Å |
| 830 | S | 92.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.5 | 172.6 | 81.8 | 0 | 0 | 0 | 0 | 112.8 | R791 D826 A827 V828 | R791-S830 WeakPolarHBondContact CA-OG 3.47Å; R791-S830 WeakPolarHBondContact O-CB 3.46Å; R791-S830 PolarHBondContact O-OG 3.5Å; D826-S830 PolarHBondContact O-N 3.14Å; D826-S830 VanDerWaalsContact O-N 3.12Å; A827-S830 WeakPolarHBondContact O-CB 3.41Å; A827-S830 PolarHBondContact O-N 3.29Å; A827-S830 VanDerWaalsContact O-N 3.16Å; A827-S830 PolarHBondContact O-OG 3.18Å; V828-S830 PolarHBondContact O-N 2.89Å |
| 831 | W | 90.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | trans | -83.6 | 119.3 | -179.9 | -162.4 | -58.1 | 0 | 0 | 0 | 110 | D795 N796 K799 D800 F803 V828 A829 N833 P834 Q876 | D795-W831 HydrophobicContact CB-CZ2 4.06Å; N796-W831 WeakPolarHBondContact O-CH2 3.3Å; K799-W831 VanDerWaalsContact C-CH2 3.45Å; K799-W831 HydrophobicContact CB-CE3 4.39Å; K799-W831 HydrophobicContact CB-CH2 3.52Å; K799-W831 HydrophobicContact CB-CZ3 3.34Å; K799-W831 HydrophobicContact CD-CD2 4.29Å; K799-W831 HydrophobicContact CD-CE3 3.49Å; K799-W831 VanDerWaalsContact CD-CE3 3.49Å; K799-W831 HydrophobicContact CD-CH2 3.85Å; K799-W831 HydrophobicContact CD-CZ3 3.27Å; K799-W831 VanDerWaalsContact CE-CE3 3.46Å; K799-W831 HydrophobicContact CG-CE3 3.8Å; K799-W831 HydrophobicContact CG-CH2 3.88Å; K799-W831 HydrophobicContact CG-CZ3 3.18Å; K799-W831 WeakPolarHBondContact O-CZ3 3.49Å; D800-W831 HydrophobicContact CB-CH2 3.69Å; D800-W831 HydrophobicContact CB-CZ2 4.19Å; F803-W831 AromaticContact CD2-CE3 3.41Å; F803-W831 HydrophobicContact CD2-CE3 3.41Å; F803-W831 VanDerWaalsContact CD2-CE3 3.41Å; F803-W831 AromaticContact CD2-CZ3 3.52Å; F803-W831 HydrophobicContact CD2-CZ3 3.52Å; F803-W831 AromaticContact CE2-CE3 3.55Å; F803-W831 HydrophobicContact CE2-CE3 3.55Å; F803-W831 AromaticContact CE2-CZ3 3.98Å; F803-W831 HydrophobicContact CE2-CZ3 3.98Å; F803-W831 HydrophobicContact CG-CE3 4.31Å; F803-W831 HydrophobicContact CG-CZ3 4.48Å; V828-W831 PolarHBondContact O-N 3.01Å; A829-W831 VanDerWaalsContact C-N 3.32Å; W831-N833 PolarHBondContact NE1-O 3.3Å; W831-P834 VanDerWaalsContact CD1-CA 3.46Å; W831-P834 HydrophobicContact CG-CB 4.11Å; W831-Q876 PolarHBondContact O-NE2 3.3Å | ||
| 832 | N | 88.4 | Confident | 94.4 | Very high | 95 Ų | 95 | 49.8 Ų | 49.8 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -85 | -45.8 | -175 | -63.8 | -57.6 | 0 | 0 | 0 | 112.1 | D795 | D795-N832 PolarHBondContact OD2-N 3.21Š|
| 833 | N | 88.4 | Confident | 94.5 | Very high | 138 Ų | 138 | 50 Ų | 50 | 74% | 0.738 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -126.7 | 70.7 | -174.1 | -60.5 | -51.3 | 0 | 0 | 0 | 112.1 | D795 W831 | D795-N833 PolarHBondContact OD2-N 3.4Å; W831-N833 PolarHBondContact NE1-O 3.3Å |
| 834 | P | 92.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | trans | -74 | 146.6 | 177.3 | 28.5 | -26.9 | 0 | 0 | 0 | 109.6 | W831 L838 K839 F842 | W831-P834 VanDerWaalsContact CD1-CA 3.46Å; W831-P834 HydrophobicContact CG-CB 4.11Å; P834-L838 HydrophobicContact CB-CD2 4.4Å; P834-L838 HydrophobicContact CB-CG 4.48Å; P834-K839 HydrophobicContact CB-CB 4.44Å; P834-K839 HydrophobicContact CG-CB 4.02Å; P834-K839 HydrophobicContact CG-CD 4.42Å; P834-K839 HydrophobicContact CG-CG 4.16Å; P834-F842 HydrophobicContact CB-CE2 4.13Å | ||
| 835 | K | 94 | Very high | 94.5 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | trans | -57.2 | 147.2 | 169.6 | -67.3 | 176.3 | -178.4 | 168.6 | 0 | 109.5 | D837 L838 K839 | K835-D837 VanDerWaalsContact C-N 3.26Å; K835-D837 WeakPolarHBondContact CB-OD1 3.28Å; K835-D837 PolarHBondContact O-N 3.49Å; K835-L838 PolarHBondContact O-N 3.48Å; K835-K839 PolarHBondContact O-N 3.03Å | ||
| 836 | D | 94.4 | Very high | 94.5 | Very high | 131 Ų | 131 | 51.7 Ų | 51.7 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -53.7 | -42.5 | -171.7 | -69.4 | -31 | 0 | 0 | 0 | 112.7 | L838 K839 E840 | D836-L838 PolarHBondContact O-N 2.95Å; D836-K839 WeakPolarHBondContact O-CB 3.24Å; D836-K839 PolarHBondContact O-N 2.87Å; D836-E840 WeakPolarHBondContact O-CG 3.3Å; D836-E840 PolarHBondContact O-N 3.18Å |
| 837 | D | 95.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.1 | -31.2 | -179.8 | 70.5 | -37.5 | 0 | 0 | 0 | 113.5 | R804 K835 R841 | R804-D837 IonicContact CZ-OD1 2.9Å; R804-D837 IonicContact CZ-OD2 3.69Å; R804-D837 VanDerWaalsContact CZ-OD2 3.31Å; R804-D837 IonicContact NH1-OD1 3.3Å; R804-D837 IonicContact NH1-OD2 2.93Å; R804-D837 PolarHBondContact NH1-OD2 3.12Å; R804-D837 VanDerWaalsContact NH2-CG 3.33Å; R804-D837 IonicContact NH2-OD1 3.57Å; R804-D837 PolarHBondContact NH2-OD1 3.25Å; R804-D837 IonicContact NH2-OD2 2.74Å; R804-D837 PolarHBondContact NH2-OD2 3.34Å; R804-D837 VanDerWaalsContact NH2-OD2 3.1Å; K835-D837 VanDerWaalsContact C-N 3.26Å; K835-D837 WeakPolarHBondContact CB-OD1 3.28Å; K835-D837 PolarHBondContact O-N 3.49Å; D837-R841 WeakPolarHBondContact O-CG 3.25Å; D837-R841 PolarHBondContact O-N 3.1Å |
| 838 | L | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.9 | -40.1 | 171.3 | -179.8 | 57.6 | 0 | 0 | 0 | 110.9 | F803 R804 P834 K835 D836 E840 R841 F842 | F803-L838 HydrophobicContact CB-CD1 4.23Å; F803-L838 HydrophobicContact CB-CD2 4.17Å; R804-L838 HydrophobicContact CG-CD1 3.94Å; P834-L838 HydrophobicContact CB-CD2 4.4Å; P834-L838 HydrophobicContact CB-CG 4.48Å; K835-L838 PolarHBondContact O-N 3.48Å; D836-L838 PolarHBondContact O-N 2.95Å; L838-E840 VanDerWaalsContact C-N 3.28Å; L838-E840 PolarHBondContact O-N 2.98Å; L838-R841 WeakPolarHBondContact O-CB 3.28Å; L838-R841 PolarHBondContact O-N 3.27Å; L838-R841 VanDerWaalsContact O-N 3.1Å; L838-F842 HydrophobicContact CD1-CD1 4.39Å; L838-F842 HydrophobicContact CD1-CE1 3.79Å; L838-F842 HydrophobicContact CD1-CE2 4.26Å; L838-F842 HydrophobicContact CD1-CZ 3.73Å; L838-F842 HydrophobicContact CD2-CE2 4.11Å; L838-F842 HydrophobicContact CD2-CZ 3.9Å; L838-F842 HydrophobicContact CG-CD2 4.34Å; L838-F842 HydrophobicContact CG-CE1 4.2Å; L838-F842 HydrophobicContact CG-CE2 3.74Å; L838-F842 HydrophobicContact CG-CZ 3.66Å; L838-F842 PolarHBondContact O-N 3.4Å |
| 839 | K | 95.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | 175.4 | -166.7 | 177.5 | 179.7 | 174.9 | 0 | 111.6 | P834 K835 D836 F842 N843 Q876 Y877 | P834-K839 HydrophobicContact CB-CB 4.44Å; P834-K839 HydrophobicContact CG-CB 4.02Å; P834-K839 HydrophobicContact CG-CD 4.42Å; P834-K839 HydrophobicContact CG-CG 4.16Å; K835-K839 PolarHBondContact O-N 3.03Å; D836-K839 WeakPolarHBondContact O-CB 3.24Å; D836-K839 PolarHBondContact O-N 2.87Å; K839-F842 PolarHBondContact O-N 3.29Å; K839-N843 WeakPolarHBondContact O-CB 3.47Å; K839-N843 PolarHBondContact O-N 3.48Å; K839-Q876 VanDerWaalsContact CE-O 3.29Å; K839-Q876 WeakPolarHBondContact CE-O 3.37Å; K839-Y877 HydrophobicContact CG-CD1 4.48Å; K839-Y877 HydrophobicContact CG-CE1 3.84Å |
| 840 | E | 96.2 | Very high | 94.2 | Very high | 138 Ų | 138 | 58.4 Ų | 58.4 | 65% | 0.645 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 173.7 | -75.6 | 177.6 | 179.1 | 0 | 0 | 112.1 | D836 L838 N843 A844 | D836-E840 WeakPolarHBondContact O-CG 3.3Å; D836-E840 PolarHBondContact O-N 3.18Å; L838-E840 VanDerWaalsContact C-N 3.28Å; L838-E840 PolarHBondContact O-N 2.98Å; E840-N843 WeakPolarHBondContact O-CB 3.47Å; E840-N843 PolarHBondContact O-N 3.47Å; E840-A844 WeakPolarHBondContact O-CB 3.29Å; E840-A844 PolarHBondContact O-N 2.89Å |
| 841 | R | 96.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.8 | -70.3 | 166.7 | 177.6 | -93 | -0.4 | 112.2 | C807 N808 D837 L838 N843 A844 I845 | C807-R841 HydrophobicContact CB-CB 4.26Å; N808-R841 PolarHBondContact OD1-NH1 3.27Å; D837-R841 WeakPolarHBondContact O-CG 3.25Å; D837-R841 PolarHBondContact O-N 3.1Å; L838-R841 WeakPolarHBondContact O-CB 3.28Å; L838-R841 PolarHBondContact O-N 3.27Å; L838-R841 VanDerWaalsContact O-N 3.1Å; R841-N843 VanDerWaalsContact C-N 3.34Å; R841-A844 PolarHBondContact O-N 3.47Å; R841-I845 WeakPolarHBondContact O-CG1 3.38Å; R841-I845 PolarHBondContact O-N 2.9Å |
| 842 | F | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 172.8 | -65.5 | -28.3 | 0 | 0 | 0 | 111.3 | F803 F824 V828 P834 L838 K839 A844 I845 L846 Y877 | F803-F842 HydrophobicContact CB-CE1 3.98Å; F803-F842 HydrophobicContact CB-CZ 3.76Å; F803-F842 AromaticContact CD1-CE1 3.47Å; F803-F842 HydrophobicContact CD1-CE1 3.47Å; F803-F842 VanDerWaalsContact CD1-CE1 3.47Å; F803-F842 AromaticContact CD1-CZ 3.45Å; F803-F842 HydrophobicContact CD1-CZ 3.45Å; F803-F842 VanDerWaalsContact CD1-CZ 3.45Å; F803-F842 HydrophobicContact CD2-CZ 4.48Å; F803-F842 HydrophobicContact CE1-CE1 4.25Å; F803-F842 HydrophobicContact CE1-CZ 4.12Å; F803-F842 HydrophobicContact CG-CE1 4Å; F803-F842 AromaticContact CG-CZ 3.65Å; F803-F842 HydrophobicContact CG-CZ 3.65Å; F824-F842 HydrophobicContact CZ-CD1 4.36Å; V828-F842 HydrophobicContact CG1-CB 3.94Å; V828-F842 HydrophobicContact CG1-CD1 4.27Å; V828-F842 HydrophobicContact CG1-CD2 3.82Å; V828-F842 HydrophobicContact CG1-CE2 4.33Å; V828-F842 HydrophobicContact CG1-CG 3.76Å; V828-F842 HydrophobicContact CG2-CD1 3.73Å; V828-F842 HydrophobicContact CG2-CE1 3.89Å; V828-F842 HydrophobicContact CG2-CG 4.1Å; V828-F842 HydrophobicContact CG2-CZ 4.34Å; P834-F842 HydrophobicContact CB-CE2 4.13Å; L838-F842 HydrophobicContact CD1-CD1 4.39Å; L838-F842 HydrophobicContact CD1-CE1 3.79Å; L838-F842 HydrophobicContact CD1-CE2 4.26Å; L838-F842 HydrophobicContact CD1-CZ 3.73Å; L838-F842 HydrophobicContact CD2-CE2 4.11Å; L838-F842 HydrophobicContact CD2-CZ 3.9Å; L838-F842 HydrophobicContact CG-CD2 4.34Å; L838-F842 HydrophobicContact CG-CE1 4.2Å; L838-F842 HydrophobicContact CG-CE2 3.74Å; L838-F842 HydrophobicContact CG-CZ 3.66Å; L838-F842 PolarHBondContact O-N 3.4Å; K839-F842 PolarHBondContact O-N 3.29Å; F842-A844 VanDerWaalsContact C-N 3.34Å; F842-A844 PolarHBondContact O-N 2.8Å; F842-I845 PolarHBondContact O-N 3.02Å; F842-L846 WeakPolarHBondContact O-CB 3.39Å; F842-L846 WeakPolarHBondContact O-CG 3.09Å; F842-L846 PolarHBondContact O-N 3.25Å; F842-Y877 HydrophobicContact CB-CD1 4.3Å; F842-Y877 HydrophobicContact CB-CE1 3.59Å; F842-Y877 HydrophobicContact CD2-CE1 4.15Å; F842-Y877 VanDerWaalsContact CD2-OH 3.27Å; F842-Y877 WeakPolarHBondContact CD2-OH 3.23Å; F842-Y877 HydrophobicContact CG-CE1 4.38Å |
| 843 | N | 96.5 | Very high | 94.2 | Very high | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 178.3 | -164 | -73.3 | 0 | 0 | 0 | 111.5 | K839 E840 R841 I845 L846 H847 Y877 | K839-N843 WeakPolarHBondContact O-CB 3.47Å; K839-N843 PolarHBondContact O-N 3.48Å; E840-N843 WeakPolarHBondContact O-CB 3.47Å; E840-N843 PolarHBondContact O-N 3.47Å; R841-N843 VanDerWaalsContact C-N 3.34Å; N843-I845 PolarHBondContact O-N 3.37Å; N843-L846 PolarHBondContact O-N 3.03Å; N843-H847 WeakPolarHBondContact O-CB 3.49Å; N843-H847 PolarHBondContact O-CD2 3.42Å; N843-H847 PolarHBondContact O-N 2.96Å; N843-H847 PolarHBondContact OD1-CD2 2.98Å; N843-Y877 HydrophobicContact CB-CD1 4.38Å; N843-Y877 PolarHBondContact ND2-O 3.43Å |
| 844 | A | 96.4 | Very high | 94.3 | Very high | 65 Ų | 65 | 61.8 Ų | 61.8 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E840 R841 F842 G848 | E840-A844 WeakPolarHBondContact O-CB 3.29Å; E840-A844 PolarHBondContact O-N 2.89Å; R841-A844 PolarHBondContact O-N 3.47Å; F842-A844 VanDerWaalsContact C-N 3.34Å; F842-A844 PolarHBondContact O-N 2.8Å; A844-G848 WeakPolarHBondContact O-CA 3.16Å; A844-G848 PolarHBondContact O-N 3.02Å |
| 845 | I | 96.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.6 | -46.8 | 177.5 | -69.2 | 168.2 | 0 | 0 | 0 | 111 | C807 I810 F821 F824 R841 F842 N843 G848 F849 | C807-I845 HydrophobicContact CB-CD1 3.78Å; I810-I845 HydrophobicContact CB-CD1 4.19Å; I810-I845 HydrophobicContact CD1-CD1 4.33Å; I810-I845 HydrophobicContact CD1-CG2 4.49Å; I810-I845 HydrophobicContact CG2-CD1 4.13Å; I810-I845 HydrophobicContact CG2-CG1 4.2Å; I810-I845 HydrophobicContact CG2-CG2 3.88Å; F821-I845 HydrophobicContact CE2-CG2 4.05Å; F824-I845 HydrophobicContact CD1-CG2 4.32Å; F824-I845 HydrophobicContact CE1-CB 4.33Å; F824-I845 HydrophobicContact CE1-CG2 3.55Å; F824-I845 HydrophobicContact CZ-CD1 4.16Å; F824-I845 HydrophobicContact CZ-CG2 4.13Å; R841-I845 WeakPolarHBondContact O-CG1 3.38Å; R841-I845 PolarHBondContact O-N 2.9Å; F842-I845 PolarHBondContact O-N 3.02Å; N843-I845 PolarHBondContact O-N 3.37Å; I845-G848 PolarHBondContact O-N 3.15Å; I845-F849 WeakPolarHBondContact O-CB 3.48Å; I845-F849 PolarHBondContact O-N 3.13Å |
| 846 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | -177.4 | -71.1 | 172.3 | 0 | 0 | 0 | 112 | F821 C825 V828 F842 N843 K850 L873 Y877 L879 | F821-L846 HydrophobicContact CE1-CD2 4.48Å; F821-L846 HydrophobicContact CZ-CD2 3.99Å; C825-L846 VanDerWaalsContact SG-CD2 3.55Å; V828-L846 HydrophobicContact CG1-CD1 4.28Å; F842-L846 WeakPolarHBondContact O-CB 3.39Å; F842-L846 WeakPolarHBondContact O-CG 3.09Å; F842-L846 PolarHBondContact O-N 3.25Å; N843-L846 PolarHBondContact O-N 3.03Å; L846-K850 PolarHBondContact O-N 2.93Å; L846-L873 HydrophobicContact CD1-CD2 4.3Å; L846-Y877 HydrophobicContact CD1-CD1 4.04Å; L846-Y877 HydrophobicContact CD1-CD2 3.76Å; L846-Y877 HydrophobicContact CD1-CE2 4.31Å; L846-Y877 HydrophobicContact CD1-CG 3.63Å; L846-L879 HydrophobicContact CB-CD1 4.06Å; L846-L879 HydrophobicContact CB-CD2 4.03Å; L846-L879 HydrophobicContact CB-CG 4.42Å; L846-L879 HydrophobicContact CD1-CD1 3.99Å; L846-L879 HydrophobicContact CD2-CD1 4.17Å; L846-L879 HydrophobicContact CG-CD1 4.3Å |
| 847 | H | 95.6 | Very high | 94.1 | Very high | 55 Ų | 55 | 68.5 Ų | 68.5 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -71.8 | -35 | 176.4 | -76.4 | -83.6 | 0 | 0 | 0 | 112 | N843 F849 K850 V851 Y877 N878 | N843-H847 WeakPolarHBondContact O-CB 3.49Å; N843-H847 PolarHBondContact O-CD2 3.42Å; N843-H847 PolarHBondContact O-N 2.96Å; N843-H847 PolarHBondContact OD1-CD2 2.98Å; H847-F849 VanDerWaalsContact C-N 3.35Å; H847-F849 PolarHBondContact O-N 3.07Å; H847-K850 PolarHBondContact O-N 3.13Å; H847-V851 WeakPolarHBondContact O-CG2 3.27Å; H847-V851 PolarHBondContact O-N 3.17Å; H847-Y877 PolarHBondContact NE2-O 2.98Å; H847-N878 PolarHBondContact CE1-O 3.39Å |
| 848 | G | 93.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 65.8 Ų | 65.8 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A844 I845 V851 Q852 | A844-G848 WeakPolarHBondContact O-CA 3.16Å; A844-G848 PolarHBondContact O-N 3.02Å; I845-G848 PolarHBondContact O-N 3.15Å; G848-V851 PolarHBondContact O-N 3.19Å; G848-Q852 WeakPolarHBondContact O-CB 3.23Å; G848-Q852 PolarHBondContact O-N 2.89Å |
| 849 | F | 93 | Very high | 93.8 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 175.6 | -171.3 | -89.7 | 0 | 0 | 0 | 112 | L818 F821 I845 H847 V851 Q852 V853 W858 | L818-F849 HydrophobicContact CD1-CE2 3.49Å; L818-F849 VanDerWaalsContact CD1-CE2 3.49Å; L818-F849 HydrophobicContact CD1-CZ 3.74Å; F821-F849 HydrophobicContact CB-CE2 3.93Å; F821-F849 HydrophobicContact CB-CZ 3.89Å; F821-F849 AromaticContact CD1-CD1 3.47Å; F821-F849 HydrophobicContact CD1-CD1 3.47Å; F821-F849 VanDerWaalsContact CD1-CD1 3.47Å; F821-F849 AromaticContact CD1-CD2 3.96Å; F821-F849 HydrophobicContact CD1-CD2 3.96Å; F821-F849 AromaticContact CD1-CE1 3.42Å; F821-F849 HydrophobicContact CD1-CE1 3.42Å; F821-F849 VanDerWaalsContact CD1-CE1 3.42Å; F821-F849 AromaticContact CD1-CE2 3.92Å; F821-F849 HydrophobicContact CD1-CE2 3.92Å; F821-F849 AromaticContact CD1-CG 3.72Å; F821-F849 HydrophobicContact CD1-CG 3.72Å; F821-F849 AromaticContact CD1-CZ 3.65Å; F821-F849 HydrophobicContact CD1-CZ 3.65Å; F821-F849 AromaticContact CD2-CD2 3.72Å; F821-F849 HydrophobicContact CD2-CD2 3.72Å; F821-F849 AromaticContact CD2-CE2 3.94Å; F821-F849 HydrophobicContact CD2-CE2 3.94Å; F821-F849 HydrophobicContact CD2-CG 4.08Å; F821-F849 HydrophobicContact CD2-CZ 4.48Å; F821-F849 HydrophobicContact CE1-CB 3.76Å; F821-F849 AromaticContact CE1-CD1 3.28Å; F821-F849 HydrophobicContact CE1-CD1 3.28Å; F821-F849 HydrophobicContact CE1-CD2 4.04Å; F821-F849 AromaticContact CE1-CE1 3.78Å; F821-F849 HydrophobicContact CE1-CE1 3.78Å; F821-F849 HydrophobicContact CE1-CE2 4.45Å; F821-F849 AromaticContact CE1-CG 3.42Å; F821-F849 HydrophobicContact CE1-CG 3.42Å; F821-F849 VanDerWaalsContact CE1-CG 3.42Å; F821-F849 HydrophobicContact CE1-CZ 4.33Å; F821-F849 HydrophobicContact CE2-CB 3.82Å; F821-F849 HydrophobicContact CE2-CD1 4.48Å; F821-F849 AromaticContact CE2-CD2 3.79Å; F821-F849 HydrophobicContact CE2-CD2 3.79Å; F821-F849 HydrophobicContact CE2-CE2 4.45Å; F821-F849 AromaticContact CE2-CG 3.79Å; F821-F849 HydrophobicContact CE2-CG 3.79Å; F821-F849 HydrophobicContact CG-CD1 4.17Å; F821-F849 AromaticContact CG-CD2 3.81Å; F821-F849 HydrophobicContact CG-CD2 3.81Å; F821-F849 HydrophobicContact CG-CE1 4.02Å; F821-F849 AromaticContact CG-CE2 3.65Å; F821-F849 HydrophobicContact CG-CE2 3.65Å; F821-F849 HydrophobicContact CG-CG 4.05Å; F821-F849 AromaticContact CG-CZ 3.75Å; F821-F849 HydrophobicContact CG-CZ 3.75Å; F821-F849 HydrophobicContact CZ-CB 3.35Å; F821-F849 AromaticContact CZ-CD1 3.84Å; F821-F849 HydrophobicContact CZ-CD1 3.84Å; F821-F849 AromaticContact CZ-CD2 3.95Å; F821-F849 HydrophobicContact CZ-CD2 3.95Å; F821-F849 AromaticContact CZ-CG 3.44Å; F821-F849 HydrophobicContact CZ-CG 3.44Å; F821-F849 VanDerWaalsContact CZ-CG 3.44Å; I845-F849 WeakPolarHBondContact O-CB 3.48Å; I845-F849 PolarHBondContact O-N 3.13Å; H847-F849 VanDerWaalsContact C-N 3.35Å; H847-F849 PolarHBondContact O-N 3.07Å; F849-V851 VanDerWaalsContact C-N 3.28Å; F849-V851 PolarHBondContact O-N 3.17Å; F849-Q852 PolarHBondContact O-N 3.23Å; F849-Q852 VanDerWaalsContact O-N 3.09Å; F849-V853 HydrophobicContact CD1-CG1 4.02Å; F849-V853 HydrophobicContact CD1-CG2 4.3Å; F849-V853 HydrophobicContact CE1-CG1 3.62Å; F849-V853 HydrophobicContact CE1-CG2 4.23Å; F849-V853 HydrophobicContact CE2-CG1 4.18Å; F849-V853 HydrophobicContact CG-CG1 4.48Å; F849-V853 HydrophobicContact CZ-CG1 3.72Å; F849-V853 WeakPolarHBondContact O-CG2 3.38Å; F849-V853 PolarHBondContact O-N 3.48Å; F849-W858 HydrophobicContact CD1-CE3 4.09Å; F849-W858 AromaticContact CD1-CZ3 3.86Å; F849-W858 HydrophobicContact CD1-CZ3 3.86Å; F849-W858 HydrophobicContact CE1-CZ3 4.44Å |
| 850 | K | 93.1 | Very high | 93.6 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.7 | -43 | 175.9 | 177 | 174.4 | -176.2 | -179.4 | 0 | 112.1 | L846 H847 G854 W858 L879 | L846-K850 PolarHBondContact O-N 2.93Å; H847-K850 PolarHBondContact O-N 3.13Å; K850-G854 PolarHBondContact O-N 2.93Å; K850-W858 HydrophobicContact CB-CD2 3.81Å; K850-W858 HydrophobicContact CB-CE3 3.79Å; K850-W858 HydrophobicContact CB-CG 4.34Å; K850-W858 HydrophobicContact CB-CH2 4.33Å; K850-W858 HydrophobicContact CB-CZ2 4.36Å; K850-W858 HydrophobicContact CB-CZ3 4.06Å; K850-W858 HydrophobicContact CD-CD2 4.13Å; K850-W858 HydrophobicContact CD-CG 4.32Å; K850-W858 HydrophobicContact CD-CZ2 4.13Å; K850-W858 HydrophobicContact CG-CB 4.39Å; K850-W858 HydrophobicContact CG-CD2 3.64Å; K850-W858 HydrophobicContact CG-CE3 4.16Å; K850-W858 HydrophobicContact CG-CG 3.72Å; K850-W858 HydrophobicContact CG-CZ2 4.42Å; K850-L879 HydrophobicContact CD-CD2 4.43Å; K850-L879 PolarHBondContact NZ-OXT 3.23Å |
| 851 | V | 92.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 65.4 Ų | 65.4 | 73% | 0.733 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.9 | -42.6 | 176.1 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | H847 G848 F849 G854 | H847-V851 WeakPolarHBondContact O-CG2 3.27Å; H847-V851 PolarHBondContact O-N 3.17Å; G848-V851 PolarHBondContact O-N 3.19Å; F849-V851 VanDerWaalsContact C-N 3.28Å; F849-V851 PolarHBondContact O-N 3.17Å; V851-G854 PolarHBondContact O-N 3.26Å |
| 852 | Q | 89.4 | Confident | 93.1 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69 | -39 | -175.1 | -173.6 | 175.6 | -2.3 | 0 | 0 | 113.5 | G848 F849 | G848-Q852 WeakPolarHBondContact O-CB 3.23Å; G848-Q852 PolarHBondContact O-N 2.89Å; F849-Q852 PolarHBondContact O-N 3.23Å; F849-Q852 VanDerWaalsContact O-N 3.09Å |
| 853 | V | 89.7 | Confident | 92.8 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -81 | -20.7 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | F849 D857 W858 | F849-V853 HydrophobicContact CD1-CG1 4.02Å; F849-V853 HydrophobicContact CD1-CG2 4.3Å; F849-V853 HydrophobicContact CE1-CG1 3.62Å; F849-V853 HydrophobicContact CE1-CG2 4.23Å; F849-V853 HydrophobicContact CE2-CG1 4.18Å; F849-V853 HydrophobicContact CG-CG1 4.48Å; F849-V853 HydrophobicContact CZ-CG1 3.72Å; F849-V853 WeakPolarHBondContact O-CG2 3.38Å; F849-V853 PolarHBondContact O-N 3.48Å; V853-D857 HydrophobicContact CB-CB 4.27Å; V853-W858 HydrophobicContact CG2-CB 3.87Å; V853-W858 HydrophobicContact CG2-CE3 4.34Å |
| 854 | G | 90.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 70.4 Ų | 70.4 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | 79.7 | 163.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K850 V851 E856 D857 W858 | K850-G854 PolarHBondContact O-N 2.93Å; V851-G854 PolarHBondContact O-N 3.26Å; G854-E856 PolarHBondContact O-N 3.12Å; G854-D857 PolarHBondContact O-N 3.27Å; G854-W858 WeakPolarHBondContact O-CB 3.42Å; G854-W858 PolarHBondContact O-N 3.05Å |
| 855 | E | 91.4 | Very high | 92.2 | Very high | 167 Ų | 167 | 67.5 Ų | 67.5 | 78% | 0.78 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.8 | -38.8 | -169.9 | -69.2 | -173.4 | 167.4 | 0 | 0 | 114.2 | S859 | E855-S859 VanDerWaalsContact O-CB 3.29Å; E855-S859 WeakPolarHBondContact O-CB 3.47Å; E855-S859 PolarHBondContact O-N 2.84Å; E855-S859 PolarHBondContact O-OG 3Å |
| 856 | E | 92 | Very high | 92.1 | Very high | 155 Ų | 155 | 69.9 Ų | 69.9 | 72% | 0.724 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67 | -49.9 | -178.1 | -68.9 | -171.2 | 178.5 | 0 | 0 | 111.9 | G854 S859 K860 | G854-E856 PolarHBondContact O-N 3.12Å; E856-S859 PolarHBondContact O-N 3.23Å; E856-K860 WeakPolarHBondContact O-CG 3.47Å; E856-K860 PolarHBondContact O-N 3.45Å; E856-K860 VanDerWaalsContact O-N 3.13Å |
| 857 | D | 91.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.7 | -31.6 | -179.2 | -69.8 | -28.3 | 0 | 0 | 0 | 111.7 | V853 G854 S859 K860 F861 | V853-D857 HydrophobicContact CB-CB 4.27Å; G854-D857 PolarHBondContact O-N 3.27Å; D857-S859 VanDerWaalsContact C-N 3.34Å; D857-K860 PolarHBondContact O-N 3.42Å; D857-K860 IonicContact OD1-NZ 2.96Å; D857-K860 PolarHBondContact OD1-NZ 2.69Å; D857-F861 WeakPolarHBondContact O-CB 3.23Å; D857-F861 PolarHBondContact O-N 3.2Å |
| 858 | W | 92.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 5% | 0.049 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 167.7 | 178.1 | -104.1 | 0 | 0 | 0 | 111.1 | F821 F849 K850 V853 G854 K860 F861 W862 L879 | F821-W858 HydrophobicContact CE1-CZ3 4.23Å; F849-W858 HydrophobicContact CD1-CE3 4.09Å; F849-W858 AromaticContact CD1-CZ3 3.86Å; F849-W858 HydrophobicContact CD1-CZ3 3.86Å; F849-W858 HydrophobicContact CE1-CZ3 4.44Å; K850-W858 HydrophobicContact CB-CD2 3.81Å; K850-W858 HydrophobicContact CB-CE3 3.79Å; K850-W858 HydrophobicContact CB-CG 4.34Å; K850-W858 HydrophobicContact CB-CH2 4.33Å; K850-W858 HydrophobicContact CB-CZ2 4.36Å; K850-W858 HydrophobicContact CB-CZ3 4.06Å; K850-W858 HydrophobicContact CD-CD2 4.13Å; K850-W858 HydrophobicContact CD-CG 4.32Å; K850-W858 HydrophobicContact CD-CZ2 4.13Å; K850-W858 HydrophobicContact CG-CB 4.39Å; K850-W858 HydrophobicContact CG-CD2 3.64Å; K850-W858 HydrophobicContact CG-CE3 4.16Å; K850-W858 HydrophobicContact CG-CG 3.72Å; K850-W858 HydrophobicContact CG-CZ2 4.42Å; V853-W858 HydrophobicContact CG2-CB 3.87Å; V853-W858 HydrophobicContact CG2-CE3 4.34Å; G854-W858 WeakPolarHBondContact O-CB 3.42Å; G854-W858 PolarHBondContact O-N 3.05Å; W858-K860 VanDerWaalsContact C-N 3.32Å; W858-K860 PolarHBondContact O-N 3.41Å; W858-F861 AromaticContact CE3-CD1 3.91Å; W858-F861 HydrophobicContact CE3-CD1 3.91Å; W858-F861 HydrophobicContact CE3-CE1 4.48Å; W858-F861 HydrophobicContact CH2-CD1 4.34Å; W858-F861 HydrophobicContact CH2-CE1 4.23Å; W858-F861 AromaticContact CZ3-CD1 3.75Å; W858-F861 HydrophobicContact CZ3-CD1 3.75Å; W858-F861 AromaticContact CZ3-CE1 3.86Å; W858-F861 HydrophobicContact CZ3-CE1 3.86Å; W858-F861 PolarHBondContact O-N 3.44Å; W858-W862 AromaticContact CH2-CE3 3.78Å; W858-W862 HydrophobicContact CH2-CE3 3.78Å; W858-W862 AromaticContact CH2-CZ3 3.84Å; W858-W862 HydrophobicContact CH2-CZ3 3.84Å; W858-W862 AromaticContact CZ2-CD2 4Å; W858-W862 HydrophobicContact CZ2-CD2 4Å; W858-W862 AromaticContact CZ2-CE3 3.36Å; W858-W862 HydrophobicContact CZ2-CE3 3.36Å; W858-W862 HydrophobicContact CZ2-CH2 4.4Å; W858-W862 AromaticContact CZ2-CZ3 3.6Å; W858-W862 HydrophobicContact CZ2-CZ3 3.6Å; W858-W862 WeakPolarHBondContact O-CB 3.35Å; W858-W862 PolarHBondContact O-N 3.16Å; W858-L879 HydrophobicContact CH2-CD1 4.3Å; W858-L879 HydrophobicContact CH2-CD2 4.09Å; W858-L879 HydrophobicContact CZ2-CB 4.38Å; W858-L879 HydrophobicContact CZ2-CD1 4.44Å; W858-L879 HydrophobicContact CZ2-CD2 3.97Å |
| 859 | S | 92.7 | Very high | 91.7 | Very high | 72 Ų | 72 | 77.1 Ų | 77.1 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.4 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | E855 E856 D857 S863 | E855-S859 VanDerWaalsContact O-CB 3.29Å; E855-S859 WeakPolarHBondContact O-CB 3.47Å; E855-S859 PolarHBondContact O-N 2.84Å; E855-S859 PolarHBondContact O-OG 3Å; E856-S859 PolarHBondContact O-N 3.23Å; D857-S859 VanDerWaalsContact C-N 3.34Å; S859-S863 WeakPolarHBondContact O-CB 3.43Å; S859-S863 PolarHBondContact O-N 2.99Å |
| 860 | K | 91.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 80.2 Ų | 80.2 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.4 | -51.3 | 173.4 | -67.9 | 172.4 | -160.1 | 153.6 | 0 | 111.3 | E856 D857 W858 W862 S863 Q864 | E856-K860 WeakPolarHBondContact O-CG 3.47Å; E856-K860 PolarHBondContact O-N 3.45Å; E856-K860 VanDerWaalsContact O-N 3.13Å; D857-K860 PolarHBondContact O-N 3.42Å; D857-K860 IonicContact OD1-NZ 2.96Å; D857-K860 PolarHBondContact OD1-NZ 2.69Å; W858-K860 VanDerWaalsContact C-N 3.32Å; W858-K860 PolarHBondContact O-N 3.41Å; K860-W862 VanDerWaalsContact C-N 3.35Å; K860-W862 PolarHBondContact O-N 3.25Å; K860-S863 PolarHBondContact O-N 2.99Å; K860-S863 PolarHBondContact O-OG 3.21Å; K860-Q864 WeakPolarHBondContact O-CG 3.26Å; K860-Q864 PolarHBondContact O-N 3.22Å |
| 861 | F | 91 | Very high | 91.8 | Very high | 31 Ų | 31 | 83.1 Ų | 83.1 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 176.2 | 171.1 | -96.2 | 0 | 0 | 0 | 111.7 | F821 L822 D857 W858 S863 Q864 C865 | F821-F861 AromaticContact CD1-CE1 4Å; F821-F861 HydrophobicContact CD1-CE1 4Å; F821-F861 HydrophobicContact CD1-CE2 4.13Å; F821-F861 AromaticContact CD1-CZ 3.57Å; F821-F861 HydrophobicContact CD1-CZ 3.57Å; F821-F861 HydrophobicContact CE1-CE1 4.29Å; F821-F861 HydrophobicContact CE1-CZ 4.26Å; L822-F861 HydrophobicContact CB-CE2 3.93Å; L822-F861 HydrophobicContact CB-CZ 4.12Å; L822-F861 HydrophobicContact CD1-CE2 4.49Å; L822-F861 HydrophobicContact CD1-CZ 4.14Å; D857-F861 WeakPolarHBondContact O-CB 3.23Å; D857-F861 PolarHBondContact O-N 3.2Å; W858-F861 AromaticContact CE3-CD1 3.91Å; W858-F861 HydrophobicContact CE3-CD1 3.91Å; W858-F861 HydrophobicContact CE3-CE1 4.48Å; W858-F861 HydrophobicContact CH2-CD1 4.34Å; W858-F861 HydrophobicContact CH2-CE1 4.23Å; W858-F861 AromaticContact CZ3-CD1 3.75Å; W858-F861 HydrophobicContact CZ3-CD1 3.75Å; W858-F861 AromaticContact CZ3-CE1 3.86Å; W858-F861 HydrophobicContact CZ3-CE1 3.86Å; W858-F861 PolarHBondContact O-N 3.44Å; F861-S863 VanDerWaalsContact C-N 3.31Å; F861-S863 PolarHBondContact O-N 3.05Å; F861-Q864 WeakPolarHBondContact O-CB 3.2Å; F861-Q864 PolarHBondContact O-N 3Å; F861-C865 PolarHBondContact O-N 2.82Å; F861-C865 PolarHBondContact O-SG 3.11Å; F861-C865 VanDerWaalsContact O-SG 3.37Å |
| 862 | W | 91.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 82.9 Ų | 82.9 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | -179.1 | -161.1 | -118.4 | 0 | 0 | 0 | 111.7 | W858 K860 Q864 C865 R870 L873 L879 | W858-W862 AromaticContact CH2-CE3 3.78Å; W858-W862 HydrophobicContact CH2-CE3 3.78Å; W858-W862 AromaticContact CH2-CZ3 3.84Å; W858-W862 HydrophobicContact CH2-CZ3 3.84Å; W858-W862 AromaticContact CZ2-CD2 4Å; W858-W862 HydrophobicContact CZ2-CD2 4Å; W858-W862 AromaticContact CZ2-CE3 3.36Å; W858-W862 HydrophobicContact CZ2-CE3 3.36Å; W858-W862 HydrophobicContact CZ2-CH2 4.4Å; W858-W862 AromaticContact CZ2-CZ3 3.6Å; W858-W862 HydrophobicContact CZ2-CZ3 3.6Å; W858-W862 WeakPolarHBondContact O-CB 3.35Å; W858-W862 PolarHBondContact O-N 3.16Å; K860-W862 VanDerWaalsContact C-N 3.35Å; K860-W862 PolarHBondContact O-N 3.25Å; W862-Q864 PolarHBondContact O-N 3.01Å; W862-C865 VanDerWaalsContact O-CB 3.3Å; W862-C865 WeakPolarHBondContact O-CB 3.32Å; W862-C865 PolarHBondContact O-N 3.23Å; W862-C865 VanDerWaalsContact O-N 3.13Å; W862-R870 HydrophobicContact CD2-CG 4.1Å; W862-R870 HydrophobicContact CH2-CG 4.32Å; W862-R870 HydrophobicContact CZ2-CB 3.95Å; W862-R870 HydrophobicContact CZ2-CG 3.82Å; W862-R870 VanDerWaalsContact O-CD 3.29Å; W862-R870 WeakPolarHBondContact O-CD 3.23Å; W862-L873 HydrophobicContact CH2-CB 3.81Å; W862-L873 HydrophobicContact CH2-CD1 3.97Å; W862-L873 HydrophobicContact CZ3-CD1 4.01Å; W862-L879 HydrophobicContact CH2-CB 3.77Å; W862-L879 HydrophobicContact CH2-CD1 3.91Å; W862-L879 HydrophobicContact CZ2-CB 4.19Å; W862-L879 HydrophobicContact CZ3-CB 4.37Å; W862-L879 HydrophobicContact CZ3-CD1 4.02Å |
| 863 | S | 90.7 | Very high | 92 | Very high | 81 Ų | 81 | 76.2 Ų | 76.2 | 57% | 0.566 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.7 | -27.4 | 174.1 | 77.5 | 0 | 0 | 0 | 0 | 114 | S859 K860 F861 C865 | S859-S863 WeakPolarHBondContact O-CB 3.43Å; S859-S863 PolarHBondContact O-N 2.99Å; K860-S863 PolarHBondContact O-N 2.99Å; K860-S863 PolarHBondContact O-OG 3.21Å; F861-S863 VanDerWaalsContact C-N 3.31Å; F861-S863 PolarHBondContact O-N 3.05Å; S863-C865 VanDerWaalsContact C-N 3.32Å |
| 864 | Q | 89.5 | Confident | 92.2 | Very high | 140 Ų | 140 | 76.4 Ų | 76.4 | 65% | 0.654 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -81.3 | -14.7 | 177.1 | -64.4 | 173.2 | 7 | 0 | 0 | 112.2 | K860 F861 W862 | K860-Q864 WeakPolarHBondContact O-CG 3.26Å; K860-Q864 PolarHBondContact O-N 3.22Å; F861-Q864 WeakPolarHBondContact O-CB 3.2Å; F861-Q864 PolarHBondContact O-N 3Å; W862-Q864 PolarHBondContact O-N 3.01Å |
| 865 | C | 91.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 81.3 Ų | 81.3 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -70.4 | 131.2 | 178.1 | -64 | 0 | 0 | 0 | 0 | 110.9 | L822 F861 W862 S863 R870 | L822-C865 HydrophobicContact CD1-CB 4.13Å; L822-C865 WeakPolarHBondContact CD1-SG 3.23Å; F861-C865 PolarHBondContact O-N 2.82Å; F861-C865 PolarHBondContact O-SG 3.11Å; F861-C865 VanDerWaalsContact O-SG 3.37Å; W862-C865 VanDerWaalsContact O-CB 3.3Å; W862-C865 WeakPolarHBondContact O-CB 3.32Å; W862-C865 PolarHBondContact O-N 3.23Å; W862-C865 VanDerWaalsContact O-N 3.13Å; S863-C865 VanDerWaalsContact C-N 3.32Å; C865-R870 HydrophobicContact CB-CG 3.54Å; C865-R870 PolarHBondContact O-NE 3.31Å |
| 866 | P | 93 | Very high | 92.4 | Very high | 69 Ų | 69 | 75.5 Ų | 75.5 | 45% | 0.448 | 38% | 0.384 | S | S | . | . | trans | -52.1 | 141.5 | 174.6 | -27.7 | 35.1 | 0 | 0 | 0 | 112.2 | M868 L869 R870 | P866-M868 PolarHBondContact O-N 3.04Å; P866-L869 HydrophobicContact CB-CB 4.32Å; P866-L869 WeakPolarHBondContact O-CB 3.49Å; P866-L869 PolarHBondContact O-N 3.03Å; P866-L869 VanDerWaalsContact O-N 3.07Å; P866-R870 PolarHBondContact O-N 2.93Å; P866-R870 VanDerWaalsContact O-N 3.11Å | ||
| 867 | P | 92.7 | Very high | 92.5 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 62% | 0.617 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.9 | -44.9 | -175 | -28.2 | 34.8 | 0 | 0 | 0 | 114.5 | L869 R870 E871 | P867-L869 VanDerWaalsContact C-N 3.31Å; P867-L869 PolarHBondContact O-N 3.17Å; P867-R870 PolarHBondContact O-N 2.81Å; P867-E871 PolarHBondContact O-N 3.05Å |
| 868 | M | 92 | Very high | 92.5 | Very high | 135 Ų | 135 | 70.4 Ų | 70.4 | 67% | 0.665 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | 179 | -69.9 | -172 | 70.7 | 0 | 0 | 112.8 | P866 E871 R872 | P866-M868 PolarHBondContact O-N 3.04Å; M868-E871 PolarHBondContact O-N 3.39Å; M868-R872 PolarHBondContact O-N 2.97Å; M868-R872 VanDerWaalsContact O-N 3.09Å |
| 869 | L | 93.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 177.7 | 177.9 | 57.9 | 0 | 0 | 0 | 110.7 | L822 D826 A829 P866 P867 E871 R872 L873 | L822-L869 HydrophobicContact CD1-CD2 3.86Å; D826-L869 HydrophobicContact CB-CD1 4.28Å; D826-L869 HydrophobicContact CB-CD2 3.96Å; A829-L869 HydrophobicContact CB-CD1 3.42Å; A829-L869 VanDerWaalsContact CB-CD1 3.42Å; P866-L869 HydrophobicContact CB-CB 4.32Å; P866-L869 WeakPolarHBondContact O-CB 3.49Å; P866-L869 PolarHBondContact O-N 3.03Å; P866-L869 VanDerWaalsContact O-N 3.07Å; P867-L869 VanDerWaalsContact C-N 3.31Å; P867-L869 PolarHBondContact O-N 3.17Å; L869-E871 VanDerWaalsContact C-N 3.34Å; L869-E871 PolarHBondContact O-N 2.85Å; L869-R872 PolarHBondContact O-N 2.91Å; L869-L873 HydrophobicContact CD1-CD1 3.79Å; L869-L873 HydrophobicContact CD1-CG 3.96Å; L869-L873 HydrophobicContact CD2-CD1 4.49Å; L869-L873 HydrophobicContact CG-CD1 3.79Å; L869-L873 HydrophobicContact CG-CG 4.39Å; L869-L873 WeakPolarHBondContact O-CB 3.25Å; L869-L873 WeakPolarHBondContact O-CG 3.4Å; L869-L873 PolarHBondContact O-N 3.42Å |
| 870 | R | 93.9 | Very high | 92.3 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 175.5 | -74.1 | -170.9 | -86.6 | 162.8 | 1.9 | 112 | W862 C865 P866 P867 R872 L873 S874 | W862-R870 HydrophobicContact CD2-CG 4.1Å; W862-R870 HydrophobicContact CH2-CG 4.32Å; W862-R870 HydrophobicContact CZ2-CB 3.95Å; W862-R870 HydrophobicContact CZ2-CG 3.82Å; W862-R870 VanDerWaalsContact O-CD 3.29Å; W862-R870 WeakPolarHBondContact O-CD 3.23Å; C865-R870 HydrophobicContact CB-CG 3.54Å; C865-R870 PolarHBondContact O-NE 3.31Å; P866-R870 PolarHBondContact O-N 2.93Å; P866-R870 VanDerWaalsContact O-N 3.11Å; P867-R870 PolarHBondContact O-N 2.81Å; R870-R872 PolarHBondContact O-N 2.77Å; R870-L873 PolarHBondContact O-N 3.31Å; R870-S874 WeakPolarHBondContact O-CB 3.39Å; R870-S874 PolarHBondContact O-N 3.05Å; R870-S874 PolarHBondContact O-OG 3.15Å |
| 871 | E | 93.5 | Very high | 92.3 | Very high | 126 Ų | 126 | 68.9 Ų | 68.9 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.2 | -48.9 | 179 | -175.6 | 177.5 | -172.8 | 0 | 0 | 111.4 | P867 M868 L869 S874 L875 | P867-E871 PolarHBondContact O-N 3.05Å; M868-E871 PolarHBondContact O-N 3.39Å; L869-E871 VanDerWaalsContact C-N 3.34Å; L869-E871 PolarHBondContact O-N 2.85Å; E871-S874 PolarHBondContact O-N 2.93Å; E871-L875 HydrophobicContact CG-CD1 3.9Å; E871-L875 WeakPolarHBondContact O-CB 3.18Å; E871-L875 WeakPolarHBondContact O-CD1 3.4Å; E871-L875 VanDerWaalsContact O-CG 3.27Å; E871-L875 WeakPolarHBondContact O-CG 3.08Å; E871-L875 PolarHBondContact O-N 3.39Å |
| 872 | R | 93 | Very high | 92.4 | Very high | 115 Ų | 115 | 71.1 Ų | 71.1 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 177.1 | -76.8 | -170.7 | 175.1 | -165.2 | 0.6 | 112.7 | A829 M868 L869 R870 L875 Q876 | A829-R872 HydrophobicContact CB-CB 4.31Å; A829-R872 PolarHBondContact O-NH1 2.97Å; M868-R872 PolarHBondContact O-N 2.97Å; M868-R872 VanDerWaalsContact O-N 3.09Å; L869-R872 PolarHBondContact O-N 2.91Å; R870-R872 PolarHBondContact O-N 2.77Å; R872-L875 PolarHBondContact O-N 3.3Å; R872-Q876 WeakPolarHBondContact O-CB 3.15Å; R872-Q876 WeakPolarHBondContact O-CG 3.43Å; R872-Q876 PolarHBondContact O-N 3.23Å |
| 873 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | -178.9 | -75.4 | 173 | 0 | 0 | 0 | 112.5 | C825 A829 L846 W862 L869 R870 Q876 Y877 L879 | C825-L873 HydrophobicContact CB-CD1 3.87Å; A829-L873 HydrophobicContact CB-CD2 3.94Å; A829-L873 HydrophobicContact CB-CG 4.14Å; L846-L873 HydrophobicContact CD1-CD2 4.3Å; W862-L873 HydrophobicContact CH2-CB 3.81Å; W862-L873 HydrophobicContact CH2-CD1 3.97Å; W862-L873 HydrophobicContact CZ3-CD1 4.01Å; L869-L873 HydrophobicContact CD1-CD1 3.79Å; L869-L873 HydrophobicContact CD1-CG 3.96Å; L869-L873 HydrophobicContact CD2-CD1 4.49Å; L869-L873 HydrophobicContact CG-CD1 3.79Å; L869-L873 HydrophobicContact CG-CG 4.39Å; L869-L873 WeakPolarHBondContact O-CB 3.25Å; L869-L873 WeakPolarHBondContact O-CG 3.4Å; L869-L873 PolarHBondContact O-N 3.42Å; R870-L873 PolarHBondContact O-N 3.31Å; L873-Q876 PolarHBondContact O-N 2.91Å; L873-Y877 HydrophobicContact CD2-CD2 3.92Å; L873-Y877 HydrophobicContact CD2-CE2 4.23Å; L873-Y877 WeakPolarHBondContact O-CA 3.45Å; L873-Y877 WeakPolarHBondContact O-CB 3.49Å; L873-Y877 PolarHBondContact O-N 3.3Å; L873-L879 HydrophobicContact CB-CD1 4.08Å; L873-L879 HydrophobicContact CD1-CD1 4.48Å; L873-L879 HydrophobicContact CD2-CD1 4.47Å |
| 874 | S | 93.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 174.6 | -68.8 | 0 | 0 | 0 | 0 | 111.5 | R870 E871 N878 L879 | R870-S874 WeakPolarHBondContact O-CB 3.39Å; R870-S874 PolarHBondContact O-N 3.05Å; R870-S874 PolarHBondContact O-OG 3.15Å; E871-S874 PolarHBondContact O-N 2.93Å; S874-N878 WeakPolarHBondContact O-CA 3.26Å; S874-N878 PolarHBondContact O-N 2.97Å; S874-N878 VanDerWaalsContact O-N 3.08Å; S874-L879 PolarHBondContact OG-O 3.03Å |
| 875 | L | 92.9 | Very high | 92.7 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 68% | 0.681 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 175.4 | -77.5 | 164.3 | 0 | 0 | 0 | 112.9 | E871 R872 | E871-L875 HydrophobicContact CG-CD1 3.9Å; E871-L875 WeakPolarHBondContact O-CB 3.18Å; E871-L875 WeakPolarHBondContact O-CD1 3.4Å; E871-L875 VanDerWaalsContact O-CG 3.27Å; E871-L875 WeakPolarHBondContact O-CG 3.08Å; E871-L875 PolarHBondContact O-N 3.39Å; R872-L875 PolarHBondContact O-N 3.3Å |
| 876 | Q | 92 | Very high | 92.8 | Very high | 44 Ų | 44 | 72.5 Ų | 72.5 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -86.7 | -34.3 | -173.1 | -71.2 | -176.6 | -8.9 | 0 | 0 | 113.9 | W831 K839 R872 L873 | W831-Q876 PolarHBondContact O-NE2 3.3Å; K839-Q876 VanDerWaalsContact CE-O 3.29Å; K839-Q876 WeakPolarHBondContact CE-O 3.37Å; R872-Q876 WeakPolarHBondContact O-CB 3.15Å; R872-Q876 WeakPolarHBondContact O-CG 3.43Å; R872-Q876 PolarHBondContact O-N 3.23Å; L873-Q876 PolarHBondContact O-N 2.91Å |
| 877 | Y | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 0% | 0.004 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -128.8 | 2.7 | -168.9 | -56.9 | -78.6 | 0 | 0 | 0 | 114.8 | V828 K839 F842 N843 L846 H847 L873 L879 | V828-Y877 HydrophobicContact CG1-CD2 4.42Å; V828-Y877 HydrophobicContact CG1-CE1 4.33Å; V828-Y877 HydrophobicContact CG1-CE2 3.51Å; V828-Y877 VanDerWaalsContact CG1-CZ 3.47Å; V828-Y877 WeakPolarHBondContact CG1-OH 3.25Å; K839-Y877 HydrophobicContact CG-CD1 4.48Å; K839-Y877 HydrophobicContact CG-CE1 3.84Å; F842-Y877 HydrophobicContact CB-CD1 4.3Å; F842-Y877 HydrophobicContact CB-CE1 3.59Å; F842-Y877 HydrophobicContact CD2-CE1 4.15Å; F842-Y877 VanDerWaalsContact CD2-OH 3.27Å; F842-Y877 WeakPolarHBondContact CD2-OH 3.23Å; F842-Y877 HydrophobicContact CG-CE1 4.38Å; N843-Y877 HydrophobicContact CB-CD1 4.38Å; N843-Y877 PolarHBondContact ND2-O 3.43Å; L846-Y877 HydrophobicContact CD1-CD1 4.04Å; L846-Y877 HydrophobicContact CD1-CD2 3.76Å; L846-Y877 HydrophobicContact CD1-CE2 4.31Å; L846-Y877 HydrophobicContact CD1-CG 3.63Å; H847-Y877 PolarHBondContact NE2-O 2.98Å; L873-Y877 HydrophobicContact CD2-CD2 3.92Å; L873-Y877 HydrophobicContact CD2-CE2 4.23Å; L873-Y877 WeakPolarHBondContact O-CA 3.45Å; L873-Y877 WeakPolarHBondContact O-CB 3.49Å; L873-Y877 PolarHBondContact O-N 3.3Å; Y877-L879 PolarHBondContact O-N 2.65Å |
| 878 | N | 92.3 | Very high | 92.8 | Very high | 133 Ų | 133 | 70.9 Ų | 70.9 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | trans | 54.9 | 44.8 | 178.4 | -60.1 | -42.8 | 0 | 0 | 0 | 113.7 | H847 S874 | H847-N878 PolarHBondContact CE1-O 3.39Å; S874-N878 WeakPolarHBondContact O-CA 3.26Å; S874-N878 PolarHBondContact O-N 2.97Å; S874-N878 VanDerWaalsContact O-N 3.08Å | ||
| 879 | L | 87.9 | Confident | 92.9 | Very high | 29 Ų | 29 | 65.1 Ų | 65.1 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | trans | -78.4 | 0 | 179.1 | -80.6 | 173.3 | 0 | 0 | 0 | 114.7 | L846 K850 W858 W862 L873 S874 Y877 | L846-L879 HydrophobicContact CB-CD1 4.06Å; L846-L879 HydrophobicContact CB-CD2 4.03Å; L846-L879 HydrophobicContact CB-CG 4.42Å; L846-L879 HydrophobicContact CD1-CD1 3.99Å; L846-L879 HydrophobicContact CD2-CD1 4.17Å; L846-L879 HydrophobicContact CG-CD1 4.3Å; K850-L879 HydrophobicContact CD-CD2 4.43Å; K850-L879 PolarHBondContact NZ-OXT 3.23Å; W858-L879 HydrophobicContact CH2-CD1 4.3Å; W858-L879 HydrophobicContact CH2-CD2 4.09Å; W858-L879 HydrophobicContact CZ2-CB 4.38Å; W858-L879 HydrophobicContact CZ2-CD1 4.44Å; W858-L879 HydrophobicContact CZ2-CD2 3.97Å; W862-L879 HydrophobicContact CH2-CB 3.77Å; W862-L879 HydrophobicContact CH2-CD1 3.91Å; W862-L879 HydrophobicContact CZ2-CB 4.19Å; W862-L879 HydrophobicContact CZ3-CB 4.37Å; W862-L879 HydrophobicContact CZ3-CD1 4.02Å; L873-L879 HydrophobicContact CB-CD1 4.08Å; L873-L879 HydrophobicContact CD1-CD1 4.48Å; L873-L879 HydrophobicContact CD2-CD1 4.47Å; S874-L879 PolarHBondContact OG-O 3.03Å; Y877-L879 PolarHBondContact O-N 2.65Å |
Retrieved 879 of 879 residues in 833.9 ms
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