| 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 | 42.9 | Very low | 57.7 | Low | 200 Ų | 200 | 93.6 Ų | 93.6 | 99% | 0.985 | 48% | 0.478 | S | S | * | . | 0 | -23.9 | 0 | -148.6 | 166.7 | 176.7 | 0 | 0 | 113.7 | T3 | M1-T3 PolarHBondContact O-N 3.41Š| |||
| 2 | Q | 40.8 | Very low | 59.9 | Low | 172 Ų | 172 | 94 Ų | 94 | 80% | 0.804 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.7 | -21.8 | -179 | -79 | 179.5 | -8.1 | 0 | 0 | 116.3 | ||
| 3 | T | 41.3 | Very low | 62.3 | Low | 104 Ų | 104 | 87.9 Ų | 87.9 | 64% | 0.638 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69.8 | -34.7 | -176.8 | -39.6 | 0 | 0 | 0 | 0 | 112.6 | M1 K6 L7 | M1-T3 PolarHBondContact O-N 3.41Å; T3-K6 PolarHBondContact O-N 3.15Å; T3-L7 HydrophobicContact CG2-CD1 4.26Å; T3-L7 PolarHBondContact O-N 3.25Å |
| 4 | I | 41 | Very low | 64.4 | Low | 120 Ų | 120 | 81.6 Ų | 81.6 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | -174.8 | -58.9 | 174.3 | 0 | 0 | 0 | 111.1 | K6 L7 D8 | I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.34Å; I4-L7 WeakPolarHBondContact O-CB 3.44Å; I4-L7 PolarHBondContact O-N 3.23Å; I4-D8 PolarHBondContact O-N 3.3Å; I4-D8 VanDerWaalsContact O-N 3.15Å |
| 5 | H | 45.7 | Very low | 66.1 | Low | 138 Ų | 138 | 78.7 Ų | 78.7 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67 | -27.5 | 178.4 | -74.8 | -60 | 0 | 0 | 0 | 114.1 | D8 | H5-D8 WeakPolarHBondContact O-CB 3.38Å; H5-D8 PolarHBondContact O-N 3.34Å |
| 6 | K | 48.7 | Very low | 67.6 | Low | 128 Ų | 128 | 79.7 Ų | 79.7 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.4 | -34.5 | 175.5 | -78.7 | -173.9 | 178.3 | 178.7 | 0 | 112 | T3 I4 D8 F10 | T3-K6 PolarHBondContact O-N 3.15Å; I4-K6 VanDerWaalsContact C-N 3.31Å; I4-K6 PolarHBondContact O-N 3.34Å; K6-D8 VanDerWaalsContact C-N 3.27Å; K6-F10 WeakPolarHBondContact O-CD2 3.36Å |
| 7 | L | 55.4 | Low | 69.1 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 172.4 | -76.6 | 152.3 | 0 | 0 | 0 | 110.5 | T3 I4 G9 F10 T11 L68 L70 | T3-L7 HydrophobicContact CG2-CD1 4.26Å; T3-L7 PolarHBondContact O-N 3.25Å; I4-L7 WeakPolarHBondContact O-CB 3.44Å; I4-L7 PolarHBondContact O-N 3.23Å; L7-G9 PolarHBondContact O-N 3.4Å; L7-F10 PolarHBondContact O-N 3.48Å; L7-T11 VanDerWaalsContact O-CB 3.29Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 2.91Å; L7-T11 PolarHBondContact O-OG1 3.19Å; L7-L68 HydrophobicContact CD2-CB 3.56Å; L7-L68 HydrophobicContact CD2-CD1 4.11Å; L7-L68 HydrophobicContact CD2-CD2 3.77Å; L7-L68 HydrophobicContact CD2-CG 3.98Å; L7-L68 VanDerWaalsContact CD2-O 3.3Å; L7-L68 WeakPolarHBondContact CD2-O 3.42Å; L7-L70 HydrophobicContact CD2-CD2 4.36Å |
| 8 | D | 66.3 | Low | 70.5 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.4 | -54.3 | -178.3 | -136.9 | 8.4 | 0 | 0 | 0 | 112.1 | I4 H5 K6 F10 T11 E12 | I4-D8 PolarHBondContact O-N 3.3Å; I4-D8 VanDerWaalsContact O-N 3.15Å; H5-D8 WeakPolarHBondContact O-CB 3.38Å; H5-D8 PolarHBondContact O-N 3.34Å; K6-D8 VanDerWaalsContact C-N 3.27Å; D8-F10 PolarHBondContact O-N 3.5Å; D8-T11 PolarHBondContact O-N 2.65Å; D8-E12 WeakPolarHBondContact O-CB 3.29Å; D8-E12 WeakPolarHBondContact O-CG 3.19Å; D8-E12 PolarHBondContact O-N 3Å |
| 9 | G | 78.9 | Confident | 71.5 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L7 I13 | L7-G9 PolarHBondContact O-N 3.4Å; G9-I13 WeakPolarHBondContact O-CB 3.45Å; G9-I13 VanDerWaalsContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CD1 3.12Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3.12Å |
| 10 | F | 87.4 | Confident | 72.5 | Confident | 10 Ų | 10 | 74.8 Ų | 74.8 | 4% | 0.044 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.2 | -44.9 | 175.4 | -72.7 | -64.8 | 0 | 0 | 0 | 111.3 | K6 L7 D8 I13 Y14 R46 W47 L50 F51 F64 L68 | K6-F10 WeakPolarHBondContact O-CD2 3.36Å; L7-F10 PolarHBondContact O-N 3.48Å; D8-F10 PolarHBondContact O-N 3.5Å; F10-I13 PolarHBondContact O-N 3.16Å; F10-Y14 PolarHBondContact O-N 3.31Å; F10-R46 HydrophobicContact CZ-CG 4.38Å; F10-W47 HydrophobicContact CB-CZ2 4.24Å; F10-W47 HydrophobicContact CD1-CD2 4.05Å; F10-W47 AromaticContact CD1-CE2 3.42Å; F10-W47 VanDerWaalsContact CD1-CE2 3.42Å; F10-W47 HydrophobicContact CD1-CG 4.41Å; F10-W47 HydrophobicContact CD1-CH2 4.41Å; F10-W47 AromaticContact CD1-CZ2 3.64Å; F10-W47 HydrophobicContact CD1-CZ2 3.64Å; F10-W47 AromaticContact CD1-NE1 3.38Å; F10-W47 AromaticContact CE1-CD1 3.66Å; F10-W47 HydrophobicContact CE1-CD2 4.3Å; F10-W47 AromaticContact CE1-CE2 3.91Å; F10-W47 HydrophobicContact CE1-CG 4.19Å; F10-W47 AromaticContact CE1-NE1 3.47Å; F10-W47 HydrophobicContact CG-CZ2 4.44Å; F10-W47 WeakPolarHBondContact O-CH2 3.43Å; F10-W47 WeakPolarHBondContact O-CZ2 3.44Å; F10-L50 HydrophobicContact CE2-CD1 4.5Å; F10-L50 HydrophobicContact CZ-CD1 4.07Å; F10-F51 HydrophobicContact CB-CZ 4.38Å; F10-F51 AromaticContact CD1-CE2 3.63Å; F10-F51 HydrophobicContact CD1-CE2 3.63Å; F10-F51 AromaticContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD2-CZ 4.45Å; F10-F51 AromaticContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CZ 4.34Å; F10-F51 HydrophobicContact CG-CE2 4.19Å; F10-F51 HydrophobicContact CG-CZ 4.03Å; F10-F64 HydrophobicContact CB-CE2 4.11Å; F10-F64 HydrophobicContact CB-CZ 4.02Å; F10-F64 WeakPolarHBondContact O-CZ 3.43Å; F10-L68 HydrophobicContact CB-CD1 3.98Å; F10-L68 HydrophobicContact CD2-CD2 4.47Å |
| 11 | T | 85.9 | Confident | 73.4 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -49.6 | -175.2 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | L7 D8 I13 Y14 F15 | L7-T11 VanDerWaalsContact O-CB 3.29Å; L7-T11 WeakPolarHBondContact O-CB 3.49Å; L7-T11 PolarHBondContact O-N 2.91Å; L7-T11 PolarHBondContact O-OG1 3.19Å; D8-T11 PolarHBondContact O-N 2.65Å; T11-I13 PolarHBondContact O-N 3.14Å; T11-Y14 PolarHBondContact O-N 3.47Å; T11-F15 HydrophobicContact CG2-CD2 3.9Å; T11-F15 HydrophobicContact CG2-CE2 3.67Å; T11-F15 WeakPolarHBondContact O-CD2 3.3Å; T11-F15 PolarHBondContact O-N 3.15Å |
| 12 | E | 84.5 | Confident | 75.8 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.6 | -49 | 177.7 | -71.6 | 179.8 | 164.2 | 0 | 0 | 111.8 | D8 Y14 F15 M16 | D8-E12 WeakPolarHBondContact O-CB 3.29Å; D8-E12 WeakPolarHBondContact O-CG 3.19Å; D8-E12 PolarHBondContact O-N 3Å; E12-Y14 PolarHBondContact O-N 3.49Å; E12-F15 PolarHBondContact O-N 2.84Å; E12-M16 WeakPolarHBondContact O-CB 3.48Å; E12-M16 VanDerWaalsContact O-CG 3.28Å; E12-M16 WeakPolarHBondContact O-CG 3.35Å; E12-M16 PolarHBondContact O-N 3.39Å |
| 13 | I | 90.9 | Very high | 78.2 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 179.6 | -67 | 171 | 0 | 0 | 0 | 110.8 | G9 F10 T11 F15 M16 V17 L30 Y33 M43 W47 | G9-I13 WeakPolarHBondContact O-CB 3.45Å; G9-I13 VanDerWaalsContact O-CD1 3.27Å; G9-I13 WeakPolarHBondContact O-CD1 3.12Å; G9-I13 WeakPolarHBondContact O-CG1 3.25Å; G9-I13 PolarHBondContact O-N 3.12Å; F10-I13 PolarHBondContact O-N 3.16Å; T11-I13 PolarHBondContact O-N 3.14Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 3.5Å; I13-M16 PolarHBondContact O-N 3.49Å; I13-V17 HydrophobicContact CG2-CG2 4.15Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.26Å; I13-L30 HydrophobicContact CG2-CD1 3.74Å; I13-Y33 HydrophobicContact CB-CE1 4.3Å; I13-Y33 HydrophobicContact CG1-CE1 3.93Å; I13-Y33 HydrophobicContact CG2-CD1 3.96Å; I13-Y33 HydrophobicContact CG2-CE1 3.86Å; I13-M43 HydrophobicContact CD1-SD 3.91Å; I13-W47 HydrophobicContact CB-CH2 4.43Å; I13-W47 HydrophobicContact CB-CZ2 3.8Å; I13-W47 HydrophobicContact CG2-CH2 4.2Å; I13-W47 HydrophobicContact CG2-CZ2 3.61Å |
| 14 | Y | 92.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53.7 | -52.8 | -179.2 | -173.4 | -86.9 | 0 | 0 | 0 | 111.5 | F10 T11 E12 M16 V17 D18 G23 W24 I25 W47 I59 L61 F64 | F10-Y14 PolarHBondContact O-N 3.31Å; T11-Y14 PolarHBondContact O-N 3.47Å; E12-Y14 PolarHBondContact O-N 3.49Å; Y14-M16 VanDerWaalsContact C-N 3.35Å; Y14-M16 PolarHBondContact O-N 3.17Å; Y14-V17 PolarHBondContact O-N 3.25Å; Y14-D18 HydrophobicContact CE1-CB 4.24Å; Y14-D18 PolarHBondContact O-N 3.35Å; Y14-G23 PolarHBondContact OH-O 2.79Å; Y14-W24 VanDerWaalsContact OH-CA 3.26Å; Y14-W24 WeakPolarHBondContact OH-CA 3.41Å; Y14-W24 PolarHBondContact OH-N 3.08Å; Y14-I25 HydrophobicContact CD2-CD1 3.74Å; Y14-I25 HydrophobicContact CD2-CG1 4.1Å; Y14-I25 HydrophobicContact CD2-CG2 4.43Å; Y14-I25 HydrophobicContact CE2-CD1 4.04Å; Y14-I25 HydrophobicContact CE2-CG1 3.85Å; Y14-I25 HydrophobicContact CE2-CG2 4.14Å; Y14-W47 HydrophobicContact CD2-CH2 4.34Å; Y14-W47 HydrophobicContact CD2-CZ3 4.12Å; Y14-I59 HydrophobicContact CD2-CG2 4.48Å; Y14-I59 HydrophobicContact CE2-CG2 4.04Å; Y14-I59 PolarHBondContact OH-O 3.45Å; Y14-L61 HydrophobicContact CD1-CD1 4.22Å; Y14-L61 HydrophobicContact CE1-CB 4.25Å; Y14-L61 HydrophobicContact CE1-CD1 3.67Å; Y14-L61 HydrophobicContact CE1-CG 4.49Å; Y14-L61 VanDerWaalsContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CB 3.39Å; Y14-L61 PolarHBondContact OH-N 2.99Å; Y14-F64 HydrophobicContact CD1-CD1 4.45Å; Y14-F64 HydrophobicContact CD2-CB 4.26Å; Y14-F64 HydrophobicContact CD2-CD1 4.01Å; Y14-F64 AromaticContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CE1 4.27Å; Y14-F64 HydrophobicContact CD2-CE2 4.01Å; Y14-F64 AromaticContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CZ 4.27Å; Y14-F64 HydrophobicContact CE2-CB 4.08Å; Y14-F64 HydrophobicContact CE2-CD1 4.49Å; Y14-F64 HydrophobicContact CE2-CD2 4.33Å; Y14-F64 HydrophobicContact CE2-CG 4.05Å; Y14-F64 AromaticContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD2 4.34Å; Y14-F64 AromaticContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE2 4.3Å; Y14-F64 HydrophobicContact CG-CG 4.18Å; Y14-F64 HydrophobicContact CG-CZ 4.1Å |
| 15 | F | 89.2 | Confident | 83.4 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.6 | -22.9 | -176.1 | -66.1 | -68.3 | 0 | 0 | 0 | 113.2 | T11 E12 I13 V17 L61 Q78 T79 | T11-F15 HydrophobicContact CG2-CD2 3.9Å; T11-F15 HydrophobicContact CG2-CE2 3.67Å; T11-F15 WeakPolarHBondContact O-CD2 3.3Å; T11-F15 PolarHBondContact O-N 3.15Å; E12-F15 PolarHBondContact O-N 2.84Å; I13-F15 VanDerWaalsContact C-N 3.35Å; I13-F15 PolarHBondContact O-N 3.5Å; F15-V17 VanDerWaalsContact C-N 3.34Å; F15-L61 HydrophobicContact CE1-CD1 3.98Å; F15-L61 HydrophobicContact CZ-CD1 3.8Å; F15-Q78 HydrophobicContact CD1-CB 3.85Å; F15-Q78 HydrophobicContact CD2-CB 3.76Å; F15-Q78 VanDerWaalsContact CD2-CD 3.48Å; F15-Q78 HydrophobicContact CD2-CG 4.13Å; F15-Q78 HydrophobicContact CE1-CB 3.81Å; F15-Q78 HydrophobicContact CE2-CB 3.77Å; F15-Q78 HydrophobicContact CE2-CG 4.26Å; F15-Q78 HydrophobicContact CG-CB 3.83Å; F15-Q78 HydrophobicContact CZ-CB 3.77Å; F15-T79 HydrophobicContact CE1-CG2 3.85Å |
| 16 | M | 90 | Very high | 85.8 | Confident | 95 Ų | 95 | 40.2 Ų | 40.2 | 47% | 0.468 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.3 | -28.5 | 169 | -73.6 | -167.3 | -168 | 0 | 0 | 112.8 | E12 I13 Y14 K19 Y33 | E12-M16 WeakPolarHBondContact O-CB 3.48Å; E12-M16 VanDerWaalsContact O-CG 3.28Å; E12-M16 WeakPolarHBondContact O-CG 3.35Å; E12-M16 PolarHBondContact O-N 3.39Å; I13-M16 PolarHBondContact O-N 3.49Å; Y14-M16 VanDerWaalsContact C-N 3.35Å; Y14-M16 PolarHBondContact O-N 3.17Å; M16-K19 WeakPolarHBondContact O-CE 3.34Å; M16-K19 VanDerWaalsContact O-CG 3.24Å; M16-K19 WeakPolarHBondContact O-CG 3.45Å; M16-Y33 HydrophobicContact CB-CD2 4.49Å; M16-Y33 HydrophobicContact CB-CE2 3.7Å; M16-Y33 HydrophobicContact SD-CE2 4.12Å; M16-Y33 PolarHBondContact SD-OH 2.88Å |
| 17 | V | 94.1 | Very high | 88 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 9% | 0.085 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -83.6 | -45.8 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 111.2 | I13 Y14 F15 K19 I25 E29 L30 Y33 | I13-V17 HydrophobicContact CG2-CG2 4.15Å; I13-V17 VanDerWaalsContact O-CG2 3.24Å; I13-V17 WeakPolarHBondContact O-CG2 3.49Å; I13-V17 PolarHBondContact O-N 3.26Å; Y14-V17 PolarHBondContact O-N 3.25Å; F15-V17 VanDerWaalsContact C-N 3.34Å; V17-K19 PolarHBondContact O-N 2.92Å; V17-I25 HydrophobicContact CB-CB 4.44Å; V17-I25 HydrophobicContact CB-CD1 4.36Å; V17-I25 HydrophobicContact CB-CG2 3.86Å; V17-I25 HydrophobicContact CG1-CB 3.75Å; V17-I25 HydrophobicContact CG1-CD1 4.25Å; V17-I25 HydrophobicContact CG1-CG2 3.58Å; V17-E29 HydrophobicContact CG1-CB 3.73Å; V17-L30 HydrophobicContact CG2-CD1 4.36Å; V17-Y33 HydrophobicContact CG2-CD1 3.99Å; V17-Y33 HydrophobicContact CG2-CD2 3.92Å; V17-Y33 HydrophobicContact CG2-CG 3.54Å |
| 18 | D | 93.6 | Very high | 89.9 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.043 | 20% | 0.196 | C | C | . | . | trans | -77.6 | 60.9 | 176.5 | -168.7 | 7.9 | 0 | 0 | 0 | 112.7 | Y14 R20 K21 K22 G23 I25 | Y14-D18 HydrophobicContact CE1-CB 4.24Å; Y14-D18 PolarHBondContact O-N 3.35Å; D18-R20 PolarHBondContact O-N 3.41Å; D18-K21 PolarHBondContact O-N 3.33Å; D18-K21 WeakPolarHBondContact OD1-CA 3.48Å; D18-K21 PolarHBondContact OD1-N 3.36Å; D18-K21 WeakPolarHBondContact OD2-CA 3.37Å; D18-K22 WeakPolarHBondContact OD1-CG 3.28Å; D18-K22 PolarHBondContact OD1-N 2.98Å; D18-K22 PolarHBondContact OD2-N 2.98Å; D18-K22 VanDerWaalsContact OD2-N 3.15Å; D18-G23 PolarHBondContact OD2-N 3.45Å; D18-I25 HydrophobicContact CB-CG2 3.59Å | ||
| 19 | K | 89.8 | Confident | 91.3 | Very high | 161 Ų | 161 | 36.6 Ų | 36.6 | 70% | 0.7 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.8 | -178.1 | -62.9 | -177.9 | -177.9 | 175.1 | 0 | 113.2 | M16 V17 K21 | M16-K19 WeakPolarHBondContact O-CE 3.34Å; M16-K19 VanDerWaalsContact O-CG 3.24Å; M16-K19 WeakPolarHBondContact O-CG 3.45Å; V17-K19 PolarHBondContact O-N 2.92Å; K19-K21 VanDerWaalsContact C-N 3.3Å |
| 20 | R | 90.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 14% | 0.143 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.3 | 177.8 | -166.9 | 166.9 | -65.9 | -94.9 | 19 | 112.4 | D18 K22 E85 D88 L102 D109 | D18-R20 PolarHBondContact O-N 3.41Å; R20-K22 PolarHBondContact O-N 3.43Å; R20-E85 PolarHBondContact NH1-O 3.13Å; R20-D88 IonicContact CZ-OD1 2.91Å; R20-D88 IonicContact CZ-OD2 2.73Å; R20-D88 IonicContact NH1-OD1 3.85Å; R20-D88 PolarHBondContact NH1-OD1 2.67Å; R20-D88 IonicContact NH1-OD2 2.57Å; R20-D88 IonicContact NH2-OD1 3.43Å; R20-D88 PolarHBondContact NH2-OD1 3.29Å; R20-D88 IonicContact NH2-OD2 3.27Å; R20-D88 PolarHBondContact NH2-OD2 2.79Å; R20-L102 HydrophobicContact CG-CD2 4.09Å; R20-D109 IonicContact CZ-OD2 2.69Å; R20-D109 IonicContact NE-OD2 3.91Å; R20-D109 PolarHBondContact NE-OD2 3.41Å; R20-D109 IonicContact NH2-OD1 2.91Å; R20-D109 PolarHBondContact NH2-OD1 3.09Å; R20-D109 IonicContact NH2-OD2 3.97Å; R20-D109 PolarHBondContact NH2-OD2 3.23Å |
| 21 | K | 91.5 | Very high | 92.4 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | trans | 56 | 40 | -173.1 | -57.8 | 176.9 | 177.5 | 155 | 0 | 111.2 | D18 K19 G23 A80 E85 L102 | D18-K21 PolarHBondContact O-N 3.33Å; D18-K21 WeakPolarHBondContact OD1-CA 3.48Å; D18-K21 PolarHBondContact OD1-N 3.36Å; D18-K21 WeakPolarHBondContact OD2-CA 3.37Å; K19-K21 VanDerWaalsContact C-N 3.3Å; K21-G23 PolarHBondContact O-N 2.81Å; K21-A80 PolarHBondContact NZ-O 2.85Å; K21-E85 HydrophobicContact CD-CG 4.24Å; K21-E85 WeakPolarHBondContact CD-OE1 3.45Å; K21-E85 WeakPolarHBondContact CE-OE1 3.16Å; K21-E85 HydrophobicContact CG-CG 4.42Å; K21-E85 IonicContact NZ-OE1 2.71Å; K21-E85 PolarHBondContact NZ-OE1 2.79Å; K21-L102 HydrophobicContact CB-CD1 4.36Å | ||
| 22 | K | 93.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | trans | -72.6 | -19.6 | -179.7 | 69.2 | -163.7 | 172.6 | -174.3 | 0 | 111.4 | D18 R20 W24 E29 T103 | D18-K22 WeakPolarHBondContact OD1-CG 3.28Å; D18-K22 PolarHBondContact OD1-N 2.98Å; D18-K22 PolarHBondContact OD2-N 2.98Å; D18-K22 VanDerWaalsContact OD2-N 3.15Å; R20-K22 PolarHBondContact O-N 3.43Å; K22-W24 HydrophobicContact CB-CE3 4.26Å; K22-W24 HydrophobicContact CB-CH2 3.94Å; K22-W24 HydrophobicContact CB-CZ2 4.31Å; K22-W24 HydrophobicContact CB-CZ3 3.95Å; K22-W24 HydrophobicContact CD-CD2 4.22Å; K22-W24 HydrophobicContact CD-CH2 4.35Å; K22-W24 HydrophobicContact CD-CZ2 3.85Å; K22-W24 WeakPolarHBondContact CE-O 3.27Å; K22-W24 HydrophobicContact CG-CD2 3.79Å; K22-W24 HydrophobicContact CG-CE3 3.93Å; K22-W24 HydrophobicContact CG-CG 4.33Å; K22-W24 HydrophobicContact CG-CH2 4.06Å; K22-W24 HydrophobicContact CG-CZ2 3.99Å; K22-W24 HydrophobicContact CG-CZ3 4.07Å; K22-W24 WeakPolarHBondContact CG-O 3.44Å; K22-W24 VanDerWaalsContact O-CE3 3.28Å; K22-W24 WeakPolarHBondContact O-CZ3 3.44Å; K22-E29 IonicContact NZ-OE1 2.81Å; K22-E29 PolarHBondContact NZ-OE1 2.92Å; K22-E29 IonicContact NZ-OE2 2.81Å; K22-E29 PolarHBondContact NZ-OE2 3.26Å; K22-T103 PolarHBondContact O-OG1 3.44Å | ||
| 23 | G | 91.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 96.8 | 10.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y14 D18 K21 L61 | Y14-G23 PolarHBondContact OH-O 2.79Å; D18-G23 PolarHBondContact OD2-N 3.45Å; K21-G23 PolarHBondContact O-N 2.81Å; G23-L61 WeakPolarHBondContact O-CB 3.26Å; G23-L61 PolarHBondContact O-N 3.48Å |
| 24 | W | 95.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 159.5 | 168.4 | 67.3 | 96.3 | 0 | 0 | 0 | 110.3 | Y14 K22 I59 T60 T103 L107 E110 | Y14-W24 VanDerWaalsContact OH-CA 3.26Å; Y14-W24 WeakPolarHBondContact OH-CA 3.41Å; Y14-W24 PolarHBondContact OH-N 3.08Å; K22-W24 HydrophobicContact CB-CE3 4.26Å; K22-W24 HydrophobicContact CB-CH2 3.94Å; K22-W24 HydrophobicContact CB-CZ2 4.31Å; K22-W24 HydrophobicContact CB-CZ3 3.95Å; K22-W24 HydrophobicContact CD-CD2 4.22Å; K22-W24 HydrophobicContact CD-CH2 4.35Å; K22-W24 HydrophobicContact CD-CZ2 3.85Å; K22-W24 WeakPolarHBondContact CE-O 3.27Å; K22-W24 HydrophobicContact CG-CD2 3.79Å; K22-W24 HydrophobicContact CG-CE3 3.93Å; K22-W24 HydrophobicContact CG-CG 4.33Å; K22-W24 HydrophobicContact CG-CH2 4.06Å; K22-W24 HydrophobicContact CG-CZ2 3.99Å; K22-W24 HydrophobicContact CG-CZ3 4.07Å; K22-W24 WeakPolarHBondContact CG-O 3.44Å; K22-W24 VanDerWaalsContact O-CE3 3.28Å; K22-W24 WeakPolarHBondContact O-CZ3 3.44Å; W24-I59 VanDerWaalsContact CA-O 3.23Å; W24-I59 WeakPolarHBondContact CA-O 3.44Å; W24-I59 WeakPolarHBondContact CB-O 3.39Å; W24-T60 HydrophobicContact CB-CG2 4.45Å; W24-T103 HydrophobicContact CH2-CG2 3.71Å; W24-T103 WeakPolarHBondContact CH2-O 2.93Å; W24-T103 HydrophobicContact CZ3-CG2 3.57Å; W24-L107 HydrophobicContact CH2-CD2 3.94Å; W24-L107 HydrophobicContact CH2-CG 3.74Å; W24-L107 HydrophobicContact CZ2-CD2 3.65Å; W24-L107 HydrophobicContact CZ2-CG 3.84Å; W24-E110 PolarHBondContact NE1-OE2 3.12Å |
| 25 | I | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.4 | 164.6 | 64.1 | 177.4 | 0 | 0 | 0 | 109 | Y14 V17 D18 L30 W47 R58 I59 | Y14-I25 HydrophobicContact CD2-CD1 3.74Å; Y14-I25 HydrophobicContact CD2-CG1 4.1Å; Y14-I25 HydrophobicContact CD2-CG2 4.43Å; Y14-I25 HydrophobicContact CE2-CD1 4.04Å; Y14-I25 HydrophobicContact CE2-CG1 3.85Å; Y14-I25 HydrophobicContact CE2-CG2 4.14Å; V17-I25 HydrophobicContact CB-CB 4.44Å; V17-I25 HydrophobicContact CB-CD1 4.36Å; V17-I25 HydrophobicContact CB-CG2 3.86Å; V17-I25 HydrophobicContact CG1-CB 3.75Å; V17-I25 HydrophobicContact CG1-CD1 4.25Å; V17-I25 HydrophobicContact CG1-CG2 3.58Å; D18-I25 HydrophobicContact CB-CG2 3.59Å; I25-L30 HydrophobicContact CD1-CB 4.43Å; I25-L30 HydrophobicContact CD1-CD1 4.15Å; I25-W47 HydrophobicContact CD1-CE3 4.48Å; I25-W47 HydrophobicContact CD1-CH2 4.34Å; I25-W47 HydrophobicContact CD1-CZ3 3.85Å; I25-R58 WeakPolarHBondContact O-CA 3.14Å; I25-I59 HydrophobicContact CD1-CD1 4.3Å; I25-I59 HydrophobicContact CG1-CB 3.88Å; I25-I59 HydrophobicContact CG1-CD1 4.24Å; I25-I59 PolarHBondContact N-O 3.04Å; I25-I59 PolarHBondContact O-N 3.15Å |
| 26 | T | 96.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 154.2 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | P28 E29 L30 G57 R58 E110 | T26-P28 VanDerWaalsContact C-N 3.34Å; T26-E29 WeakPolarHBondContact CB-OE2 3.42Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.27Å; T26-E29 PolarHBondContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3.21Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CB 3.48Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.17Å; T26-E29 PolarHBondContact OG1-N 2.9Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; T26-L30 PolarHBondContact O-N 3.47Å; T26-G57 WeakPolarHBondContact CA-O 3.49Å; T26-R58 HydrophobicContact CG2-CG 4.32Å; T26-E110 HydrophobicContact CG2-CG 4.26Å; T26-E110 WeakPolarHBondContact CG2-OE2 3.27Å |
| 27 | M | 94.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -38 | 176.4 | -62.6 | -56.3 | -61.6 | 0 | 0 | 113.2 | L30 R31 F44 K48 G57 I59 | M27-L30 HydrophobicContact CE-CD2 4.29Å; M27-L30 PolarHBondContact O-N 3.02Å; M27-R31 WeakPolarHBondContact O-CB 3.3Å; M27-R31 PolarHBondContact O-N 2.82Å; M27-F44 HydrophobicContact CB-CZ 4.22Å; M27-F44 HydrophobicContact CE-CD1 4.46Å; M27-F44 HydrophobicContact CE-CD2 4.4Å; M27-F44 HydrophobicContact CE-CE1 3.7Å; M27-F44 HydrophobicContact CE-CE2 3.65Å; M27-F44 HydrophobicContact CE-CZ 3.27Å; M27-F44 WeakPolarHBondContact O-CE2 3.24Å; M27-K48 HydrophobicContact CE-CB 3.78Å; M27-K48 HydrophobicContact CE-CG 4.22Å; M27-G57 PolarHBondContact N-O 3.09Å; M27-I59 HydrophobicContact SD-CD1 3.63Å; M27-I59 HydrophobicContact SD-CG1 4.11Å |
| 28 | P | 94.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.4 | -39.4 | 171.9 | -25.7 | 36.9 | 0 | 0 | 0 | 114.2 | T26 R31 K32 | T26-P28 VanDerWaalsContact C-N 3.34Å; P28-R31 PolarHBondContact O-N 2.68Å; P28-K32 WeakPolarHBondContact O-CB 3.44Å; P28-K32 PolarHBondContact O-N 3.35Å |
| 29 | E | 95.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.9 | -74.9 | 167.9 | 141.1 | 0 | 0 | 111.4 | V17 K22 T26 K32 Y33 | V17-E29 HydrophobicContact CG1-CB 3.73Å; K22-E29 IonicContact NZ-OE1 2.81Å; K22-E29 PolarHBondContact NZ-OE1 2.92Å; K22-E29 IonicContact NZ-OE2 2.81Å; K22-E29 PolarHBondContact NZ-OE2 3.26Å; T26-E29 WeakPolarHBondContact CB-OE2 3.42Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.27Å; T26-E29 PolarHBondContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3.21Å; T26-E29 VanDerWaalsContact O-N 3.14Å; T26-E29 WeakPolarHBondContact OG1-CB 3.48Å; T26-E29 VanDerWaalsContact OG1-CD 3.25Å; T26-E29 WeakPolarHBondContact OG1-CG 3.17Å; T26-E29 PolarHBondContact OG1-N 2.9Å; T26-E29 PolarHBondContact OG1-OE2 3.39Å; E29-K32 PolarHBondContact O-N 2.83Å; E29-Y33 PolarHBondContact O-N 2.87Å |
| 30 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.4 | -178.5 | 63.8 | 0 | 0 | 0 | 111.4 | I13 V17 I25 T26 M27 Y33 M34 F44 W47 I59 | I13-L30 HydrophobicContact CG2-CD1 3.74Å; V17-L30 HydrophobicContact CG2-CD1 4.36Å; I25-L30 HydrophobicContact CD1-CB 4.43Å; I25-L30 HydrophobicContact CD1-CD1 4.15Å; T26-L30 PolarHBondContact O-N 3.47Å; M27-L30 HydrophobicContact CE-CD2 4.29Å; M27-L30 PolarHBondContact O-N 3.02Å; L30-Y33 PolarHBondContact O-N 3.48Å; L30-M34 HydrophobicContact CD1-CE 3.61Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CD1-SD 4.41Å; L30-M34 HydrophobicContact CD2-CE 4.17Å; L30-M34 HydrophobicContact CG-CE 3.85Å; L30-M34 HydrophobicContact CG-SD 4.2Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.04Å; L30-F44 HydrophobicContact CB-CE2 4.43Å; L30-F44 HydrophobicContact CD2-CD2 4.24Å; L30-F44 HydrophobicContact CD2-CE2 4.31Å; L30-F44 HydrophobicContact CG-CD2 4.25Å; L30-F44 HydrophobicContact CG-CE2 4.36Å; L30-W47 HydrophobicContact CD1-CD2 4.2Å; L30-W47 HydrophobicContact CD1-CE3 4.45Å; L30-W47 HydrophobicContact CD1-CZ2 4.32Å; L30-W47 HydrophobicContact CD2-CB 3.63Å; L30-W47 HydrophobicContact CD2-CD2 3.68Å; L30-W47 HydrophobicContact CD2-CE3 3.85Å; L30-W47 HydrophobicContact CD2-CG 3.65Å; L30-I59 HydrophobicContact CD2-CD1 4.01Å |
| 31 | R | 94.3 | Very high | 92.3 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -50 | 177.5 | 178.8 | 168.5 | -66.6 | -74.7 | 1.1 | 111.2 | M27 P28 Y33 M34 E35 E41 F44 | M27-R31 WeakPolarHBondContact O-CB 3.3Å; M27-R31 PolarHBondContact O-N 2.82Å; P28-R31 PolarHBondContact O-N 2.68Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 PolarHBondContact O-N 2.84Å; R31-M34 PolarHBondContact O-N 3.39Å; R31-M34 VanDerWaalsContact O-N 3.14Å; R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.41Å; R31-E41 IonicContact CZ-OE1 3.29Å; R31-E41 VanDerWaalsContact CZ-OE1 3.3Å; R31-E41 IonicContact CZ-OE2 2.83Å; R31-E41 VanDerWaalsContact NH1-CD 3.28Å; R31-E41 IonicContact NH1-OE1 3.07Å; R31-E41 PolarHBondContact NH1-OE1 3.1Å; R31-E41 IonicContact NH1-OE2 3.3Å; R31-E41 PolarHBondContact NH1-OE2 3.23Å; R31-E41 IonicContact NH2-OE1 2.71Å; R31-E41 PolarHBondContact NH2-OE1 3.13Å; R31-F44 HydrophobicContact CB-CD2 4.17Å; R31-F44 HydrophobicContact CB-CE2 3.61Å; R31-F44 HydrophobicContact CB-CZ 4.26Å; R31-F44 HydrophobicContact CG-CE2 4.47Å |
| 32 | K | 94.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 63.5 Ų | 63.5 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 178.2 | 179 | 179 | 174.7 | 179.7 | 0 | 111.6 | P28 E29 M34 E35 E36 | P28-K32 WeakPolarHBondContact O-CB 3.44Å; P28-K32 PolarHBondContact O-N 3.35Å; E29-K32 PolarHBondContact O-N 2.83Å; K32-M34 VanDerWaalsContact C-N 3.34Å; K32-M34 PolarHBondContact O-N 3.29Å; K32-E35 PolarHBondContact O-N 3.45Å; K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.49Å; K32-E36 IonicContact NZ-OE1 3.73Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 VanDerWaalsContact O-CG 3.32Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.15Å |
| 33 | Y | 94 | Very high | 91.8 | Very high | 33 Ų | 33 | 66.3 Ų | 66.3 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 177.2 | 174.2 | -85.1 | 0 | 0 | 0 | 111.8 | I13 M16 V17 E29 L30 R31 E36 N37 | I13-Y33 HydrophobicContact CB-CE1 4.3Å; I13-Y33 HydrophobicContact CG1-CE1 3.93Å; I13-Y33 HydrophobicContact CG2-CD1 3.96Å; I13-Y33 HydrophobicContact CG2-CE1 3.86Å; M16-Y33 HydrophobicContact CB-CD2 4.49Å; M16-Y33 HydrophobicContact CB-CE2 3.7Å; M16-Y33 HydrophobicContact SD-CE2 4.12Å; M16-Y33 PolarHBondContact SD-OH 2.88Å; V17-Y33 HydrophobicContact CG2-CD1 3.99Å; V17-Y33 HydrophobicContact CG2-CD2 3.92Å; V17-Y33 HydrophobicContact CG2-CG 3.54Å; E29-Y33 PolarHBondContact O-N 2.87Å; L30-Y33 PolarHBondContact O-N 3.48Å; R31-Y33 VanDerWaalsContact C-N 3.33Å; R31-Y33 PolarHBondContact O-N 2.84Å; Y33-E36 PolarHBondContact O-N 3.37Å; Y33-N37 HydrophobicContact CE1-CB 4.39Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.25Å; Y33-N37 WeakPolarHBondContact O-CB 3.29Å; Y33-N37 PolarHBondContact O-N 2.9Å; Y33-N37 PolarHBondContact O-ND2 3.02Å |
| 34 | M | 92.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.6 | -74.9 | -177.5 | 174.2 | 0 | 0 | 112.4 | L30 R31 K32 N37 D38 V39 M43 F44 W47 | L30-M34 HydrophobicContact CD1-CE 3.61Å; L30-M34 HydrophobicContact CD1-CG 4.49Å; L30-M34 HydrophobicContact CD1-SD 4.41Å; L30-M34 HydrophobicContact CD2-CE 4.17Å; L30-M34 HydrophobicContact CG-CE 3.85Å; L30-M34 HydrophobicContact CG-SD 4.2Å; L30-M34 WeakPolarHBondContact O-CG 3.34Å; L30-M34 PolarHBondContact O-N 3.04Å; R31-M34 PolarHBondContact O-N 3.39Å; R31-M34 VanDerWaalsContact O-N 3.14Å; K32-M34 VanDerWaalsContact C-N 3.34Å; K32-M34 PolarHBondContact O-N 3.29Å; M34-N37 CarbonylContact O-C 3.54Å; M34-N37 PolarHBondContact O-N 3.02Å; M34-D38 PolarHBondContact O-N 3.09Å; M34-D38 VanDerWaalsContact O-N 3.07Å; M34-V39 HydrophobicContact CB-CB 3.84Å; M34-V39 HydrophobicContact CB-CG1 4.4Å; M34-V39 HydrophobicContact CE-CG1 4.32Å; M34-V39 HydrophobicContact CG-CB 3.82Å; M34-V39 HydrophobicContact CG-CG1 3.92Å; M34-V39 HydrophobicContact CG-CG2 4.37Å; M34-V39 PolarHBondContact O-N 3.19Å; M34-V39 HydrophobicContact SD-CG1 4.22Å; M34-M43 HydrophobicContact CE-CG 4Å; M34-M43 HydrophobicContact CE-SD 4.36Å; M34-F44 HydrophobicContact SD-CB 3.66Å; M34-F44 HydrophobicContact SD-CD2 3.86Å; M34-F44 HydrophobicContact SD-CG 4.27Å; M34-W47 HydrophobicContact CE-CG 4.1Å; M34-W47 VanDerWaalsContact CE-NE1 3.3Å |
| 35 | E | 92.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 70 Ų | 70 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 174.7 | -71.3 | 170.5 | -173.9 | 0 | 0 | 111.7 | R31 K32 N37 | R31-E35 HydrophobicContact CG-CG 4.41Å; R31-E35 WeakPolarHBondContact CG-OE1 3.27Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.41Å; K32-E35 PolarHBondContact O-N 3.45Å; E35-N37 PolarHBondContact O-N 2.85Å |
| 36 | E | 94 | Very high | 91.3 | Very high | 124 Ų | 124 | 75.2 Ų | 75.2 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.1 | -19.5 | 178.5 | -73.6 | 175.4 | 175.2 | 0 | 0 | 113.7 | K32 Y33 | K32-E36 WeakPolarHBondContact CE-OE1 3.3Å; K32-E36 HydrophobicContact CG-CG 4.49Å; K32-E36 IonicContact NZ-OE1 3.73Å; K32-E36 WeakPolarHBondContact O-CB 3.39Å; K32-E36 VanDerWaalsContact O-CG 3.32Å; K32-E36 WeakPolarHBondContact O-CG 3.41Å; K32-E36 PolarHBondContact O-N 3.15Å; Y33-E36 PolarHBondContact O-N 3.37Å |
| 37 | N | 90.4 | Very high | 91.2 | Very high | 83 Ų | 83 | 74.6 Ų | 74.6 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 17.7 | -176.6 | -65.1 | -90.7 | 0 | 0 | 0 | 113 | Y33 M34 E35 V39 | Y33-N37 HydrophobicContact CE1-CB 4.39Å; Y33-N37 WeakPolarHBondContact CE2-ND2 3.25Å; Y33-N37 WeakPolarHBondContact O-CB 3.29Å; Y33-N37 PolarHBondContact O-N 2.9Å; Y33-N37 PolarHBondContact O-ND2 3.02Å; M34-N37 CarbonylContact O-C 3.54Å; M34-N37 PolarHBondContact O-N 3.02Å; E35-N37 PolarHBondContact O-N 2.85Å; N37-V39 VanDerWaalsContact C-N 3.27Å; N37-V39 HydrophobicContact CB-CG2 4.2Å; N37-V39 PolarHBondContact O-N 3.45Å |
| 38 | D | 86.2 | Confident | 91.1 | Very high | 157 Ų | 157 | 77.4 Ų | 77.4 | 84% | 0.84 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.4 | 177.5 | -64.6 | -58.3 | 0 | 0 | 0 | 114.3 | M34 | M34-D38 PolarHBondContact O-N 3.09Å; M34-D38 VanDerWaalsContact O-N 3.07Å |
| 39 | V | 84.4 | Confident | 91 | Very high | 42 Ų | 42 | 77.9 Ų | 77.9 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | trans | -84.5 | 133.9 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | M34 N37 M43 | M34-V39 HydrophobicContact CB-CB 3.84Å; M34-V39 HydrophobicContact CB-CG1 4.4Å; M34-V39 HydrophobicContact CE-CG1 4.32Å; M34-V39 HydrophobicContact CG-CB 3.82Å; M34-V39 HydrophobicContact CG-CG1 3.92Å; M34-V39 HydrophobicContact CG-CG2 4.37Å; M34-V39 PolarHBondContact O-N 3.19Å; M34-V39 HydrophobicContact SD-CG1 4.22Å; N37-V39 VanDerWaalsContact C-N 3.27Å; N37-V39 HydrophobicContact CB-CG2 4.2Å; N37-V39 PolarHBondContact O-N 3.45Å; V39-M43 HydrophobicContact CG1-CB 4Å; V39-M43 HydrophobicContact CG1-CG 4.18Å; V39-M43 HydrophobicContact CG1-SD 3.48Å; V39-M43 WeakPolarHBondContact CG1-SD 3.34Å | ||
| 40 | D | 84.1 | Confident | 90.9 | Very high | 98 Ų | 98 | 77.9 Ų | 77.9 | 52% | 0.524 | 37% | 0.372 | S | S | . | . | trans | -59.2 | 132.8 | -176.8 | -171.2 | -43.1 | 0 | 0 | 0 | 112.8 | K42 M43 | D40-K42 PolarHBondContact O-N 3.18Å; D40-K42 VanDerWaalsContact O-N 3.12Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.37Å; D40-K42 WeakPolarHBondContact OD1-CG 3.27Å; D40-K42 PolarHBondContact OD1-N 2.96Å; D40-M43 WeakPolarHBondContact O-CA 3.49Å; D40-M43 WeakPolarHBondContact O-CB 3.48Å; D40-M43 PolarHBondContact O-N 3.49Å | ||
| 41 | E | 86.2 | Confident | 90.9 | Very high | 89 Ų | 89 | 78 Ų | 78 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.9 | -29.7 | 177.4 | -172.4 | 65 | -155.5 | 0 | 0 | 113.2 | R31 M43 F44 E45 | R31-E41 IonicContact CZ-OE1 3.29Å; R31-E41 VanDerWaalsContact CZ-OE1 3.3Å; R31-E41 IonicContact CZ-OE2 2.83Å; R31-E41 VanDerWaalsContact NH1-CD 3.28Å; R31-E41 IonicContact NH1-OE1 3.07Å; R31-E41 PolarHBondContact NH1-OE1 3.1Å; R31-E41 IonicContact NH1-OE2 3.3Å; R31-E41 PolarHBondContact NH1-OE2 3.23Å; R31-E41 IonicContact NH2-OE1 2.71Å; R31-E41 PolarHBondContact NH2-OE1 3.13Å; E41-M43 PolarHBondContact O-N 3.22Å; E41-F44 VanDerWaalsContact O-CB 3.3Å; E41-F44 WeakPolarHBondContact O-CB 3.36Å; E41-F44 PolarHBondContact O-N 3.11Å; E41-E45 PolarHBondContact O-N 3.35Å; E41-E45 VanDerWaalsContact O-N 3.13Å |
| 42 | K | 87.9 | Confident | 91 | Very high | 164 Ų | 164 | 74.8 Ų | 74.8 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.1 | -28.9 | 173.5 | -67.4 | 174.1 | -177.7 | 168.4 | 0 | 112.1 | D40 R46 | D40-K42 PolarHBondContact O-N 3.18Å; D40-K42 VanDerWaalsContact O-N 3.12Å; D40-K42 VanDerWaalsContact OD1-CB 3.27Å; D40-K42 WeakPolarHBondContact OD1-CB 3.37Å; D40-K42 WeakPolarHBondContact OD1-CG 3.27Å; D40-K42 PolarHBondContact OD1-N 2.96Å; K42-R46 WeakPolarHBondContact O-CB 3.32Å; K42-R46 PolarHBondContact O-N 2.81Å |
| 43 | M | 87.6 | Confident | 91 | Very high | 66 Ų | 66 | 72.8 Ų | 72.8 | 33% | 0.325 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 172.2 | -172.8 | 173 | -90 | 0 | 0 | 109.9 | I13 M34 V39 D40 E41 E45 R46 W47 | I13-M43 HydrophobicContact CD1-SD 3.91Å; M34-M43 HydrophobicContact CE-CG 4Å; M34-M43 HydrophobicContact CE-SD 4.36Å; V39-M43 HydrophobicContact CG1-CB 4Å; V39-M43 HydrophobicContact CG1-CG 4.18Å; V39-M43 HydrophobicContact CG1-SD 3.48Å; V39-M43 WeakPolarHBondContact CG1-SD 3.34Å; D40-M43 WeakPolarHBondContact O-CA 3.49Å; D40-M43 WeakPolarHBondContact O-CB 3.48Å; D40-M43 PolarHBondContact O-N 3.49Å; E41-M43 PolarHBondContact O-N 3.22Å; M43-E45 PolarHBondContact O-N 3.35Å; M43-R46 WeakPolarHBondContact O-CA 3.48Å; M43-R46 WeakPolarHBondContact O-CB 3.49Å; M43-R46 PolarHBondContact O-N 2.91Å; M43-R46 VanDerWaalsContact O-N 3.09Å; M43-W47 VanDerWaalsContact O-CD1 3.24Å; M43-W47 PolarHBondContact O-N 2.95Å |
| 44 | F | 90.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 79.2 Ų | 79.2 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 176.6 | -176.8 | -89.5 | 0 | 0 | 0 | 112.6 | M27 L30 R31 M34 E41 R46 W47 K48 | M27-F44 HydrophobicContact CB-CZ 4.22Å; M27-F44 HydrophobicContact CE-CD1 4.46Å; M27-F44 HydrophobicContact CE-CD2 4.4Å; M27-F44 HydrophobicContact CE-CE1 3.7Å; M27-F44 HydrophobicContact CE-CE2 3.65Å; M27-F44 HydrophobicContact CE-CZ 3.27Å; M27-F44 WeakPolarHBondContact O-CE2 3.24Å; L30-F44 HydrophobicContact CB-CE2 4.43Å; L30-F44 HydrophobicContact CD2-CD2 4.24Å; L30-F44 HydrophobicContact CD2-CE2 4.31Å; L30-F44 HydrophobicContact CG-CD2 4.25Å; L30-F44 HydrophobicContact CG-CE2 4.36Å; R31-F44 HydrophobicContact CB-CD2 4.17Å; R31-F44 HydrophobicContact CB-CE2 3.61Å; R31-F44 HydrophobicContact CB-CZ 4.26Å; R31-F44 HydrophobicContact CG-CE2 4.47Å; M34-F44 HydrophobicContact SD-CB 3.66Å; M34-F44 HydrophobicContact SD-CD2 3.86Å; M34-F44 HydrophobicContact SD-CG 4.27Å; E41-F44 VanDerWaalsContact O-CB 3.3Å; E41-F44 WeakPolarHBondContact O-CB 3.36Å; E41-F44 PolarHBondContact O-N 3.11Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 2.85Å; F44-W47 WeakPolarHBondContact O-CB 3.12Å; F44-W47 PolarHBondContact O-N 3.07Å; F44-W47 VanDerWaalsContact O-N 3.1Å; F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.11Å |
| 45 | E | 90.6 | Very high | 91 | Very high | 90 Ų | 90 | 82.6 Ų | 82.6 | 42% | 0.421 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 177.9 | -70.9 | -56.3 | 134.7 | 0 | 0 | 112.6 | E41 M43 K48 T49 | E41-E45 PolarHBondContact O-N 3.35Å; E41-E45 VanDerWaalsContact O-N 3.13Å; M43-E45 PolarHBondContact O-N 3.35Å; E45-K48 PolarHBondContact O-N 2.92Å; E45-T49 WeakPolarHBondContact O-CB 3.46Å; E45-T49 PolarHBondContact O-N 3.07Å; E45-T49 PolarHBondContact O-OG1 3.46Å |
| 46 | R | 91.6 | Very high | 91 | Very high | 110 Ų | 110 | 81 Ų | 81 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 174.1 | -174 | 172.2 | 176.6 | -148.3 | -10.3 | 111.9 | F10 K42 M43 F44 T49 L50 | F10-R46 HydrophobicContact CZ-CG 4.38Å; K42-R46 WeakPolarHBondContact O-CB 3.32Å; K42-R46 PolarHBondContact O-N 2.81Å; M43-R46 WeakPolarHBondContact O-CA 3.48Å; M43-R46 WeakPolarHBondContact O-CB 3.49Å; M43-R46 PolarHBondContact O-N 2.91Å; M43-R46 VanDerWaalsContact O-N 3.09Å; F44-R46 VanDerWaalsContact C-N 3.26Å; F44-R46 PolarHBondContact O-N 2.85Å; R46-T49 PolarHBondContact O-N 2.79Å; R46-L50 HydrophobicContact CG-CD1 3.71Å; R46-L50 HydrophobicContact CG-CG 4.24Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.14Å |
| 47 | W | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 173.6 | -88.1 | 84.6 | 0 | 0 | 0 | 111.5 | F10 I13 Y14 I25 L30 M34 M43 F44 T49 L50 F51 I59 F64 | F10-W47 HydrophobicContact CB-CZ2 4.24Å; F10-W47 HydrophobicContact CD1-CD2 4.05Å; F10-W47 AromaticContact CD1-CE2 3.42Å; F10-W47 VanDerWaalsContact CD1-CE2 3.42Å; F10-W47 HydrophobicContact CD1-CG 4.41Å; F10-W47 HydrophobicContact CD1-CH2 4.41Å; F10-W47 AromaticContact CD1-CZ2 3.64Å; F10-W47 HydrophobicContact CD1-CZ2 3.64Å; F10-W47 AromaticContact CD1-NE1 3.38Å; F10-W47 AromaticContact CE1-CD1 3.66Å; F10-W47 HydrophobicContact CE1-CD2 4.3Å; F10-W47 AromaticContact CE1-CE2 3.91Å; F10-W47 HydrophobicContact CE1-CG 4.19Å; F10-W47 AromaticContact CE1-NE1 3.47Å; F10-W47 HydrophobicContact CG-CZ2 4.44Å; F10-W47 WeakPolarHBondContact O-CH2 3.43Å; F10-W47 WeakPolarHBondContact O-CZ2 3.44Å; I13-W47 HydrophobicContact CB-CH2 4.43Å; I13-W47 HydrophobicContact CB-CZ2 3.8Å; I13-W47 HydrophobicContact CG2-CH2 4.2Å; I13-W47 HydrophobicContact CG2-CZ2 3.61Å; Y14-W47 HydrophobicContact CD2-CH2 4.34Å; Y14-W47 HydrophobicContact CD2-CZ3 4.12Å; I25-W47 HydrophobicContact CD1-CE3 4.48Å; I25-W47 HydrophobicContact CD1-CH2 4.34Å; I25-W47 HydrophobicContact CD1-CZ3 3.85Å; L30-W47 HydrophobicContact CD1-CD2 4.2Å; L30-W47 HydrophobicContact CD1-CE3 4.45Å; L30-W47 HydrophobicContact CD1-CZ2 4.32Å; L30-W47 HydrophobicContact CD2-CB 3.63Å; L30-W47 HydrophobicContact CD2-CD2 3.68Å; L30-W47 HydrophobicContact CD2-CE3 3.85Å; L30-W47 HydrophobicContact CD2-CG 3.65Å; M34-W47 HydrophobicContact CE-CG 4.1Å; M34-W47 VanDerWaalsContact CE-NE1 3.3Å; M43-W47 VanDerWaalsContact O-CD1 3.24Å; M43-W47 PolarHBondContact O-N 2.95Å; F44-W47 WeakPolarHBondContact O-CB 3.12Å; F44-W47 PolarHBondContact O-N 3.07Å; F44-W47 VanDerWaalsContact O-N 3.1Å; W47-T49 VanDerWaalsContact C-N 3.34Å; W47-T49 PolarHBondContact O-N 3.33Å; W47-L50 PolarHBondContact O-N 2.97Å; W47-F51 HydrophobicContact CB-CD2 4.24Å; W47-F51 AromaticContact CD2-CD2 3.81Å; W47-F51 HydrophobicContact CD2-CD2 3.81Å; W47-F51 AromaticContact CD2-CE2 3.79Å; W47-F51 HydrophobicContact CD2-CE2 3.79Å; W47-F51 AromaticContact CE3-CD2 3.3Å; W47-F51 HydrophobicContact CE3-CD2 3.3Å; W47-F51 AromaticContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CG 4.29Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.24Å; W47-F51 AromaticContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CE2 4.03Å; W47-F51 WeakPolarHBondContact O-CD2 3.39Å; W47-F51 PolarHBondContact O-N 3.34Å; W47-I59 HydrophobicContact CE3-CD1 3.68Å; W47-I59 HydrophobicContact CZ3-CD1 4.27Å; W47-F64 HydrophobicContact CH2-CD2 4.33Å; W47-F64 AromaticContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CZ 4.22Å; W47-F64 AromaticContact CZ3-CD2 3.9Å; W47-F64 HydrophobicContact CZ3-CD2 3.9Å; W47-F64 AromaticContact CZ3-CE2 3.56Å; W47-F64 HydrophobicContact CZ3-CE2 3.56Å |
| 48 | K | 92.7 | Very high | 91.3 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.9 | -48.6 | 177.3 | -171 | 178.7 | 178.5 | -177.8 | 0 | 111.5 | M27 F44 E45 L50 D52 | M27-K48 HydrophobicContact CE-CB 3.78Å; M27-K48 HydrophobicContact CE-CG 4.22Å; F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.11Å; E45-K48 PolarHBondContact O-N 2.92Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å; K48-D52 CarbonylContact O-C 3.11Å; K48-D52 WeakPolarHBondContact O-CA 3.24Å; K48-D52 PolarHBondContact O-N 3.34Å; K48-D52 VanDerWaalsContact O-N 3.09Å |
| 49 | T | 93.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | -178.6 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | E45 R46 W47 | E45-T49 WeakPolarHBondContact O-CB 3.46Å; E45-T49 PolarHBondContact O-N 3.07Å; E45-T49 PolarHBondContact O-OG1 3.46Å; R46-T49 PolarHBondContact O-N 2.79Å; W47-T49 VanDerWaalsContact C-N 3.34Å; W47-T49 PolarHBondContact O-N 3.33Å |
| 50 | L | 93.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 66.3 Ų | 66.3 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -84.6 | -43.7 | -175.5 | -70.3 | 175.2 | 0 | 0 | 0 | 112.9 | F10 R46 W47 K48 V67 | F10-L50 HydrophobicContact CE2-CD1 4.5Å; F10-L50 HydrophobicContact CZ-CD1 4.07Å; R46-L50 HydrophobicContact CG-CD1 3.71Å; R46-L50 HydrophobicContact CG-CG 4.24Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.14Å; W47-L50 PolarHBondContact O-N 2.97Å; K48-L50 VanDerWaalsContact C-N 3.33Å; K48-L50 PolarHBondContact O-N 3.4Å; L50-V67 HydrophobicContact CB-CG1 4.43Å |
| 51 | F | 95 | Very high | 92.6 | Very high | 3 Ų | 3 | 62.7 Ų | 62.7 | 1% | 0.013 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -113.9 | -14.4 | -163.7 | -50.7 | -66.4 | 0 | 0 | 0 | 114.5 | F10 W47 P53 I59 K63 F64 V67 L68 | F10-F51 HydrophobicContact CB-CZ 4.38Å; F10-F51 AromaticContact CD1-CE2 3.63Å; F10-F51 HydrophobicContact CD1-CE2 3.63Å; F10-F51 AromaticContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD1-CZ 3.95Å; F10-F51 HydrophobicContact CD2-CZ 4.45Å; F10-F51 AromaticContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CE2 3.84Å; F10-F51 HydrophobicContact CE1-CZ 4.34Å; F10-F51 HydrophobicContact CG-CE2 4.19Å; F10-F51 HydrophobicContact CG-CZ 4.03Å; W47-F51 HydrophobicContact CB-CD2 4.24Å; W47-F51 AromaticContact CD2-CD2 3.81Å; W47-F51 HydrophobicContact CD2-CD2 3.81Å; W47-F51 AromaticContact CD2-CE2 3.79Å; W47-F51 HydrophobicContact CD2-CE2 3.79Å; W47-F51 AromaticContact CE3-CD2 3.3Å; W47-F51 HydrophobicContact CE3-CD2 3.3Å; W47-F51 AromaticContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CE2 3.59Å; W47-F51 HydrophobicContact CE3-CG 4.29Å; W47-F51 HydrophobicContact CG-CD2 4.2Å; W47-F51 HydrophobicContact CG-CE2 4.24Å; W47-F51 AromaticContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CD2 3.94Å; W47-F51 HydrophobicContact CZ3-CE2 4.03Å; W47-F51 WeakPolarHBondContact O-CD2 3.39Å; W47-F51 PolarHBondContact O-N 3.34Å; F51-P53 VanDerWaalsContact C-CD 3.46Å; F51-I59 HydrophobicContact CB-CB 4.34Å; F51-I59 HydrophobicContact CB-CD1 4.27Å; F51-I59 HydrophobicContact CB-CG1 3.91Å; F51-I59 HydrophobicContact CB-CG2 3.5Å; F51-I59 HydrophobicContact CG-CG2 4.27Å; F51-K63 WeakPolarHBondContact O-CG 3.23Å; F51-F64 AromaticContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CE2 4.43Å; F51-F64 HydrophobicContact CD2-CD2 4.38Å; F51-F64 AromaticContact CE1-CD2 3.72Å; F51-F64 HydrophobicContact CE1-CD2 3.72Å; F51-F64 AromaticContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE2-CD2 4.31Å; F51-F64 HydrophobicContact CE2-CE2 4.1Å; F51-F64 HydrophobicContact CG-CD2 4.13Å; F51-F64 AromaticContact CZ-CD2 3.98Å; F51-F64 HydrophobicContact CZ-CD2 3.98Å; F51-F64 AromaticContact CZ-CE2 3.77Å; F51-F64 HydrophobicContact CZ-CE2 3.77Å; F51-V67 HydrophobicContact CD1-CB 3.84Å; F51-V67 HydrophobicContact CD1-CG1 3.78Å; F51-V67 HydrophobicContact CD1-CG2 4.2Å; F51-V67 HydrophobicContact CE1-CB 3.84Å; F51-V67 HydrophobicContact CE1-CG1 3.52Å; F51-L68 HydrophobicContact CE1-CD1 4.43Å; F51-L68 HydrophobicContact CE1-CD2 3.91Å; F51-L68 HydrophobicContact CE1-CG 3.88Å; F51-L68 HydrophobicContact CZ-CD1 4.41Å; F51-L68 HydrophobicContact CZ-CD2 3.92Å; F51-L68 HydrophobicContact CZ-CG 4.18Å |
| 52 | D | 96.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.032 | 34% | 0.342 | C | S | . | . | trans | -134.1 | 56.6 | 173 | -174.2 | 29.2 | 0 | 0 | 0 | 111.3 | K48 E54 S55 T56 G57 I59 | K48-D52 CarbonylContact O-C 3.11Å; K48-D52 WeakPolarHBondContact O-CA 3.24Å; K48-D52 PolarHBondContact O-N 3.34Å; K48-D52 VanDerWaalsContact O-N 3.09Å; D52-E54 PolarHBondContact O-N 3.35Å; D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 PolarHBondContact OD1-N 3.11Å; D52-S55 WeakPolarHBondContact OD2-CA 3.16Å; D52-T56 WeakPolarHBondContact OD1-CB 3.33Å; D52-T56 PolarHBondContact OD1-N 3.2Å; D52-T56 PolarHBondContact OD1-OG1 3.37Å; D52-T56 PolarHBondContact OD2-N 3.47Å; D52-G57 WeakPolarHBondContact OD2-CA 3.46Å; D52-G57 PolarHBondContact OD2-N 3Å; D52-I59 HydrophobicContact CB-CG1 4.03Å | ||
| 53 | P | 94.2 | Very high | 93 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 53% | 0.526 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.8 | -175.5 | 26.9 | -35.6 | 0 | 0 | 0 | 112.8 | F51 S55 | F51-P53 VanDerWaalsContact C-CD 3.46Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.27Å |
| 54 | E | 93.6 | Very high | 93.2 | Very high | 168 Ų | 168 | 58 Ų | 58 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2 | 178.1 | -67.1 | 170.2 | -167.2 | 0 | 0 | 112.7 | D52 T56 | D52-E54 PolarHBondContact O-N 3.35Å; E54-T56 VanDerWaalsContact C-N 3.27Å; E54-T56 HydrophobicContact CB-CG2 3.94Å; E54-T56 PolarHBondContact O-N 3.44Å |
| 55 | S | 92.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 53% | 0.531 | 31% | 0.307 | S | S | . | . | trans | 53.9 | 43 | -178.1 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | D52 P53 G57 | D52-S55 PolarHBondContact O-N 2.93Å; D52-S55 PolarHBondContact OD1-N 3.11Å; D52-S55 WeakPolarHBondContact OD2-CA 3.16Å; P53-S55 VanDerWaalsContact C-N 3.25Å; P53-S55 PolarHBondContact O-N 3.27Å; S55-G57 PolarHBondContact O-N 2.98Å | ||
| 56 | T | 93.6 | Very high | 93.1 | Very high | 89 Ų | 89 | 60 Ų | 60 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | trans | -67.5 | -20.8 | 175.2 | 70.1 | 0 | 0 | 0 | 0 | 112.2 | D52 E54 R58 | D52-T56 WeakPolarHBondContact OD1-CB 3.33Å; D52-T56 PolarHBondContact OD1-N 3.2Å; D52-T56 PolarHBondContact OD1-OG1 3.37Å; D52-T56 PolarHBondContact OD2-N 3.47Å; E54-T56 VanDerWaalsContact C-N 3.27Å; E54-T56 HydrophobicContact CB-CG2 3.94Å; E54-T56 PolarHBondContact O-N 3.44Å; T56-R58 VanDerWaalsContact C-N 3.27Å; T56-R58 PolarHBondContact OG1-N 2.83Å; T56-R58 VanDerWaalsContact OG1-N 3.17Å; T56-R58 PolarHBondContact OG1-O 2.87Å | ||
| 57 | G | 93.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 57.4 Ų | 57.4 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 85 | -3.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T26 M27 D52 S55 | T26-G57 WeakPolarHBondContact CA-O 3.49Å; M27-G57 PolarHBondContact N-O 3.09Å; D52-G57 WeakPolarHBondContact OD2-CA 3.46Å; D52-G57 PolarHBondContact OD2-N 3Å; S55-G57 PolarHBondContact O-N 2.98Å |
| 58 | R | 95.5 | Very high | 92.9 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 10% | 0.102 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.1 | 178.1 | -68.9 | -176.2 | -179.3 | 155.1 | 9.1 | 111.1 | I25 T26 T56 E110 E128 Y132 | I25-R58 WeakPolarHBondContact O-CA 3.14Å; T26-R58 HydrophobicContact CG2-CG 4.32Å; T56-R58 VanDerWaalsContact C-N 3.27Å; T56-R58 PolarHBondContact OG1-N 2.83Å; T56-R58 VanDerWaalsContact OG1-N 3.17Å; T56-R58 PolarHBondContact OG1-O 2.87Å; R58-E110 IonicContact CZ-OE1 3.49Å; R58-E110 VanDerWaalsContact CZ-OE1 3.29Å; R58-E110 IonicContact CZ-OE2 2.8Å; R58-E110 IonicContact NE-OE1 2.73Å; R58-E110 PolarHBondContact NE-OE1 3.33Å; R58-E110 VanDerWaalsContact NE-OE1 3.07Å; R58-E110 IonicContact NE-OE2 2.8Å; R58-E110 PolarHBondContact NE-OE2 2.93Å; R58-E110 IonicContact NH2-OE1 2.69Å; R58-E110 PolarHBondContact NH2-OE1 2.85Å; R58-E110 IonicContact NH2-OE2 3.13Å; R58-E110 PolarHBondContact NH2-OE2 3.34Å; R58-E128 IonicContact CZ-OE2 3.48Å; R58-E128 IonicContact NH1-OE2 3.73Å; R58-E128 PolarHBondContact NH1-OE2 3.43Å; R58-E128 IonicContact NH2-OE2 3.22Å; R58-E128 PolarHBondContact NH2-OE2 2.84Å; R58-Y132 PolarHBondContact NH1-OH 3.45Å |
| 59 | I | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 103.4 | 169 | -62 | 156.5 | 0 | 0 | 0 | 107.5 | Y14 W24 I25 M27 L30 W47 F51 D52 F64 | Y14-I59 HydrophobicContact CD2-CG2 4.48Å; Y14-I59 HydrophobicContact CE2-CG2 4.04Å; Y14-I59 PolarHBondContact OH-O 3.45Å; W24-I59 VanDerWaalsContact CA-O 3.23Å; W24-I59 WeakPolarHBondContact CA-O 3.44Å; W24-I59 WeakPolarHBondContact CB-O 3.39Å; I25-I59 HydrophobicContact CD1-CD1 4.3Å; I25-I59 HydrophobicContact CG1-CB 3.88Å; I25-I59 HydrophobicContact CG1-CD1 4.24Å; I25-I59 PolarHBondContact N-O 3.04Å; I25-I59 PolarHBondContact O-N 3.15Å; M27-I59 HydrophobicContact SD-CD1 3.63Å; M27-I59 HydrophobicContact SD-CG1 4.11Å; L30-I59 HydrophobicContact CD2-CD1 4.01Å; W47-I59 HydrophobicContact CE3-CD1 3.68Å; W47-I59 HydrophobicContact CZ3-CD1 4.27Å; F51-I59 HydrophobicContact CB-CB 4.34Å; F51-I59 HydrophobicContact CB-CD1 4.27Å; F51-I59 HydrophobicContact CB-CG1 3.91Å; F51-I59 HydrophobicContact CB-CG2 3.5Å; F51-I59 HydrophobicContact CG-CG2 4.27Å; D52-I59 HydrophobicContact CB-CG1 4.03Å; I59-F64 HydrophobicContact CG2-CB 4.24Å; I59-F64 HydrophobicContact CG2-CD2 4.34Å |
| 60 | T | 94 | Very high | 92.1 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 149.8 | 178.5 | 67.3 | 0 | 0 | 0 | 0 | 110.7 | W24 E62 K63 F64 | W24-T60 HydrophobicContact CB-CG2 4.45Å; T60-E62 PolarHBondContact O-N 3.37Å; T60-K63 PolarHBondContact O-N 3.24Å; T60-K63 WeakPolarHBondContact OG1-CB 3.45Å; T60-K63 PolarHBondContact OG1-N 2.86Å; T60-K63 VanDerWaalsContact OG1-N 3.11Å; T60-F64 VanDerWaalsContact O-CB 3.27Å; T60-F64 WeakPolarHBondContact O-CB 3.47Å; T60-F64 PolarHBondContact O-N 3.45Å |
| 61 | L | 91.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 176 | 178.7 | 61.2 | 0 | 0 | 0 | 110.5 | Y14 F15 G23 F64 C65 I75 T79 | Y14-L61 HydrophobicContact CD1-CD1 4.22Å; Y14-L61 HydrophobicContact CE1-CB 4.25Å; Y14-L61 HydrophobicContact CE1-CD1 3.67Å; Y14-L61 HydrophobicContact CE1-CG 4.49Å; Y14-L61 VanDerWaalsContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CA 3.24Å; Y14-L61 WeakPolarHBondContact OH-CB 3.39Å; Y14-L61 PolarHBondContact OH-N 2.99Å; F15-L61 HydrophobicContact CE1-CD1 3.98Å; F15-L61 HydrophobicContact CZ-CD1 3.8Å; G23-L61 WeakPolarHBondContact O-CB 3.26Å; G23-L61 PolarHBondContact O-N 3.48Å; L61-F64 HydrophobicContact CD1-CD1 4.47Å; L61-F64 PolarHBondContact O-N 2.69Å; L61-C65 WeakPolarHBondContact O-CB 3.47Å; L61-C65 PolarHBondContact O-N 2.67Å; L61-C65 PolarHBondContact O-SG 3Å; L61-I75 HydrophobicContact CD2-CG2 4.19Å; L61-T79 HydrophobicContact CD2-CG2 3.63Å |
| 62 | E | 90.6 | Very high | 90.4 | Very high | 161 Ų | 161 | 63.6 Ų | 63.6 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -57 | -52.9 | 175 | -176.8 | 178.3 | -176.2 | 0 | 0 | 111.5 | T60 F64 C65 E66 | T60-E62 PolarHBondContact O-N 3.37Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 2.82Å; E62-C65 PolarHBondContact O-N 2.78Å; E62-E66 WeakPolarHBondContact O-CB 3.46Å; E62-E66 PolarHBondContact O-N 2.86Å |
| 63 | K | 91.9 | Very high | 89 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 179.5 | -174.5 | 54.6 | 175.3 | -177.2 | 0 | 112 | F51 T60 E66 V67 | F51-K63 WeakPolarHBondContact O-CG 3.23Å; T60-K63 PolarHBondContact O-N 3.24Å; T60-K63 WeakPolarHBondContact OG1-CB 3.45Å; T60-K63 PolarHBondContact OG1-N 2.86Å; T60-K63 VanDerWaalsContact OG1-N 3.11Å; K63-E66 WeakPolarHBondContact CD-OE2 3.38Å; K63-E66 IonicContact NZ-OE1 2.97Å; K63-E66 PolarHBondContact NZ-OE1 3Å; K63-E66 IonicContact NZ-OE2 3.22Å; K63-E66 PolarHBondContact NZ-OE2 3.48Å; K63-E66 PolarHBondContact O-N 3.22Å; K63-V67 HydrophobicContact CD-CG2 4.09Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 VanDerWaalsContact O-CG2 3.27Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.14Å |
| 64 | F | 92.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 177.2 | -176.5 | -101.1 | 0 | 0 | 0 | 111.6 | F10 Y14 W47 F51 I59 T60 L61 E62 V67 L68 L70 | F10-F64 HydrophobicContact CB-CE2 4.11Å; F10-F64 HydrophobicContact CB-CZ 4.02Å; F10-F64 WeakPolarHBondContact O-CZ 3.43Å; Y14-F64 HydrophobicContact CD1-CD1 4.45Å; Y14-F64 HydrophobicContact CD2-CB 4.26Å; Y14-F64 HydrophobicContact CD2-CD1 4.01Å; Y14-F64 AromaticContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CD2 3.72Å; Y14-F64 HydrophobicContact CD2-CE1 4.27Å; Y14-F64 HydrophobicContact CD2-CE2 4.01Å; Y14-F64 AromaticContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CG 3.72Å; Y14-F64 HydrophobicContact CD2-CZ 4.27Å; Y14-F64 HydrophobicContact CE2-CB 4.08Å; Y14-F64 HydrophobicContact CE2-CD1 4.49Å; Y14-F64 HydrophobicContact CE2-CD2 4.33Å; Y14-F64 HydrophobicContact CE2-CG 4.05Å; Y14-F64 AromaticContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD1 3.99Å; Y14-F64 HydrophobicContact CG-CD2 4.34Å; Y14-F64 AromaticContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE1 3.94Å; Y14-F64 HydrophobicContact CG-CE2 4.3Å; Y14-F64 HydrophobicContact CG-CG 4.18Å; Y14-F64 HydrophobicContact CG-CZ 4.1Å; W47-F64 HydrophobicContact CH2-CD2 4.33Å; W47-F64 AromaticContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CE2 3.56Å; W47-F64 HydrophobicContact CH2-CZ 4.22Å; W47-F64 AromaticContact CZ3-CD2 3.9Å; W47-F64 HydrophobicContact CZ3-CD2 3.9Å; W47-F64 AromaticContact CZ3-CE2 3.56Å; W47-F64 HydrophobicContact CZ3-CE2 3.56Å; F51-F64 AromaticContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CD2 3.8Å; F51-F64 HydrophobicContact CD1-CE2 4.43Å; F51-F64 HydrophobicContact CD2-CD2 4.38Å; F51-F64 AromaticContact CE1-CD2 3.72Å; F51-F64 HydrophobicContact CE1-CD2 3.72Å; F51-F64 AromaticContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE1-CE2 3.96Å; F51-F64 HydrophobicContact CE2-CD2 4.31Å; F51-F64 HydrophobicContact CE2-CE2 4.1Å; F51-F64 HydrophobicContact CG-CD2 4.13Å; F51-F64 AromaticContact CZ-CD2 3.98Å; F51-F64 HydrophobicContact CZ-CD2 3.98Å; F51-F64 AromaticContact CZ-CE2 3.77Å; F51-F64 HydrophobicContact CZ-CE2 3.77Å; I59-F64 HydrophobicContact CG2-CB 4.24Å; I59-F64 HydrophobicContact CG2-CD2 4.34Å; T60-F64 VanDerWaalsContact O-CB 3.27Å; T60-F64 WeakPolarHBondContact O-CB 3.47Å; T60-F64 PolarHBondContact O-N 3.45Å; L61-F64 HydrophobicContact CD1-CD1 4.47Å; L61-F64 PolarHBondContact O-N 2.69Å; E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 2.82Å; F64-V67 PolarHBondContact O-N 3.3Å; F64-L68 HydrophobicContact CD1-CD1 4.27Å; F64-L68 HydrophobicContact CD2-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.6Å; F64-L68 HydrophobicContact CE2-CD1 3.73Å; F64-L68 HydrophobicContact CZ-CD1 3.28Å; F64-L68 HydrophobicContact CZ-CG 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 2.94Å; F64-L68 VanDerWaalsContact O-N 3.12Å; F64-L70 HydrophobicContact CD1-CD1 4.09Å; F64-L70 HydrophobicContact CE1-CD1 3.86Å |
| 65 | C | 89.7 | Confident | 86.7 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.095 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 177.2 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | L61 E62 V67 L68 G69 L70 I75 | L61-C65 WeakPolarHBondContact O-CB 3.47Å; L61-C65 PolarHBondContact O-N 2.67Å; L61-C65 PolarHBondContact O-SG 3Å; E62-C65 PolarHBondContact O-N 2.78Å; C65-V67 PolarHBondContact O-N 2.99Å; C65-L68 PolarHBondContact O-N 3.43Å; C65-G69 WeakPolarHBondContact O-CA 3.37Å; C65-G69 PolarHBondContact O-N 2.91Å; C65-L70 HydrophobicContact CB-CB 4.23Å; C65-L70 PolarHBondContact O-N 3.43Å; C65-L70 VanDerWaalsContact O-N 3.15Å; C65-I75 HydrophobicContact CB-CD1 3.99Å; C65-I75 WeakPolarHBondContact SG-CD1 3.04Å |
| 66 | E | 90.2 | Very high | 85.9 | Confident | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.2 | -49.1 | 175.5 | -174.5 | -153.4 | 139 | 0 | 0 | 111.1 | E62 K63 G69 | E62-E66 WeakPolarHBondContact O-CB 3.46Å; E62-E66 PolarHBondContact O-N 2.86Å; K63-E66 WeakPolarHBondContact CD-OE2 3.38Å; K63-E66 IonicContact NZ-OE1 2.97Å; K63-E66 PolarHBondContact NZ-OE1 3Å; K63-E66 IonicContact NZ-OE2 3.22Å; K63-E66 PolarHBondContact NZ-OE2 3.48Å; K63-E66 PolarHBondContact O-N 3.22Å; E66-G69 PolarHBondContact O-N 3Å |
| 67 | V | 90.5 | Very high | 84.9 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 33% | 0.327 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | -177.2 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | L50 F51 K63 F64 C65 | L50-V67 HydrophobicContact CB-CG1 4.43Å; F51-V67 HydrophobicContact CD1-CB 3.84Å; F51-V67 HydrophobicContact CD1-CG1 3.78Å; F51-V67 HydrophobicContact CD1-CG2 4.2Å; F51-V67 HydrophobicContact CE1-CB 3.84Å; F51-V67 HydrophobicContact CE1-CG1 3.52Å; K63-V67 HydrophobicContact CD-CG2 4.09Å; K63-V67 HydrophobicContact CG-CG2 4.41Å; K63-V67 VanDerWaalsContact O-CG2 3.27Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.14Å; F64-V67 PolarHBondContact O-N 3.3Å; C65-V67 PolarHBondContact O-N 2.99Å |
| 68 | L | 88.9 | Confident | 83.8 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -89.3 | -10.1 | -178.6 | -68.7 | -169 | 0 | 0 | 0 | 113.9 | L7 F10 F51 F64 C65 L70 | L7-L68 HydrophobicContact CD2-CB 3.56Å; L7-L68 HydrophobicContact CD2-CD1 4.11Å; L7-L68 HydrophobicContact CD2-CD2 3.77Å; L7-L68 HydrophobicContact CD2-CG 3.98Å; L7-L68 VanDerWaalsContact CD2-O 3.3Å; L7-L68 WeakPolarHBondContact CD2-O 3.42Å; F10-L68 HydrophobicContact CB-CD1 3.98Å; F10-L68 HydrophobicContact CD2-CD2 4.47Å; F51-L68 HydrophobicContact CE1-CD1 4.43Å; F51-L68 HydrophobicContact CE1-CD2 3.91Å; F51-L68 HydrophobicContact CE1-CG 3.88Å; F51-L68 HydrophobicContact CZ-CD1 4.41Å; F51-L68 HydrophobicContact CZ-CD2 3.92Å; F51-L68 HydrophobicContact CZ-CG 4.18Å; F64-L68 HydrophobicContact CD1-CD1 4.27Å; F64-L68 HydrophobicContact CD2-CD1 4.38Å; F64-L68 HydrophobicContact CE1-CD1 3.6Å; F64-L68 HydrophobicContact CE2-CD1 3.73Å; F64-L68 HydrophobicContact CZ-CD1 3.28Å; F64-L68 HydrophobicContact CZ-CG 4.44Å; F64-L68 WeakPolarHBondContact O-CB 3.39Å; F64-L68 WeakPolarHBondContact O-CG 3.44Å; F64-L68 PolarHBondContact O-N 2.94Å; F64-L68 VanDerWaalsContact O-N 3.12Å; C65-L68 PolarHBondContact O-N 3.43Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 HydrophobicContact CB-CD1 4.31Å; L68-L70 HydrophobicContact CB-CD2 4.21Å; L68-L70 HydrophobicContact CB-CG 3.78Å; L68-L70 HydrophobicContact CD1-CD1 4.32Å; L68-L70 PolarHBondContact O-N 2.94Å |
| 69 | G | 85.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 36.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C65 E66 | C65-G69 WeakPolarHBondContact O-CA 3.37Å; C65-G69 PolarHBondContact O-N 2.91Å; E66-G69 PolarHBondContact O-N 3Å |
| 70 | L | 84.4 | Confident | 82.1 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 18% | 0.183 | 38% | 0.378 | C | S | . | . | trans | -70 | 142.6 | -179.5 | -64.6 | 178.7 | 0 | 0 | 0 | 110.9 | L7 F64 C65 L68 I75 | L7-L70 HydrophobicContact CD2-CD2 4.36Å; F64-L70 HydrophobicContact CD1-CD1 4.09Å; F64-L70 HydrophobicContact CE1-CD1 3.86Å; C65-L70 HydrophobicContact CB-CB 4.23Å; C65-L70 PolarHBondContact O-N 3.43Å; C65-L70 VanDerWaalsContact O-N 3.15Å; L68-L70 VanDerWaalsContact C-N 3.28Å; L68-L70 HydrophobicContact CB-CD1 4.31Å; L68-L70 HydrophobicContact CB-CD2 4.21Å; L68-L70 HydrophobicContact CB-CG 3.78Å; L68-L70 HydrophobicContact CD1-CD1 4.32Å; L68-L70 PolarHBondContact O-N 2.94Å; L70-I75 HydrophobicContact CB-CD1 4.4Å; L70-I75 HydrophobicContact CB-CG1 4.34Å | ||
| 71 | Q | 77.6 | Confident | 81.4 | Confident | 136 Ų | 136 | 70.4 Ų | 70.4 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | trans | -89.4 | 153.2 | 177.2 | -63.6 | -178.5 | -25.1 | 0 | 0 | 111.3 | E73 V74 I75 | Q71-E73 WeakPolarHBondContact CB-OE2 2.87Å; Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.16Å; Q71-V74 PolarHBondContact O-N 3.37Å; Q71-V74 VanDerWaalsContact O-N 3.14Å; Q71-I75 WeakPolarHBondContact O-CG1 3.37Å; Q71-I75 PolarHBondContact O-N 3.41Å | ||
| 72 | D | 76.5 | Confident | 80.9 | Confident | 114 Ų | 114 | 76.7 Ų | 76.7 | 61% | 0.61 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.7 | -33.8 | -177.7 | -70.2 | -21.7 | 0 | 0 | 0 | 112.8 | V74 I75 N76 | D72-V74 PolarHBondContact O-N 2.7Å; D72-I75 PolarHBondContact O-N 2.77Å; D72-N76 VanDerWaalsContact O-CB 3.3Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 PolarHBondContact O-N 3.37Å; D72-N76 PolarHBondContact O-ND2 2.92Å |
| 73 | E | 65.4 | Low | 80.4 | Confident | 124 Ų | 124 | 71.6 Ų | 71.6 | 58% | 0.579 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | -179.9 | -63.1 | 77.4 | -167.4 | 0 | 0 | 112.4 | Q71 I75 N76 V77 | Q71-E73 WeakPolarHBondContact CB-OE2 2.87Å; Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.16Å; E73-I75 VanDerWaalsContact C-N 3.34Å; E73-N76 PolarHBondContact O-N 2.82Å; E73-V77 WeakPolarHBondContact O-CG2 3.19Å; E73-V77 PolarHBondContact O-N 3.36Å; E73-V77 VanDerWaalsContact O-N 3.17Å |
| 74 | V | 66.5 | Low | 80.1 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.7 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | Q71 D72 V77 Q78 | Q71-V74 PolarHBondContact O-N 3.37Å; Q71-V74 VanDerWaalsContact O-N 3.14Å; D72-V74 PolarHBondContact O-N 2.7Å; V74-V77 PolarHBondContact O-N 3.17Å; V74-Q78 WeakPolarHBondContact O-CG 3.38Å; V74-Q78 PolarHBondContact O-N 3.19Å; V74-Q78 VanDerWaalsContact O-N 3.08Å |
| 75 | I | 73.8 | Confident | 80 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 178.6 | -60.2 | 167.2 | 0 | 0 | 0 | 110.3 | L61 C65 L70 Q71 D72 E73 V77 Q78 T79 | L61-I75 HydrophobicContact CD2-CG2 4.19Å; C65-I75 HydrophobicContact CB-CD1 3.99Å; C65-I75 WeakPolarHBondContact SG-CD1 3.04Å; L70-I75 HydrophobicContact CB-CD1 4.4Å; L70-I75 HydrophobicContact CB-CG1 4.34Å; Q71-I75 WeakPolarHBondContact O-CG1 3.37Å; Q71-I75 PolarHBondContact O-N 3.41Å; D72-I75 PolarHBondContact O-N 2.77Å; E73-I75 VanDerWaalsContact C-N 3.34Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 PolarHBondContact O-N 3.41Å; I75-Q78 PolarHBondContact O-N 3.38Å; I75-T79 HydrophobicContact CG2-CG2 3.9Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 VanDerWaalsContact O-CG2 3.25Å; I75-T79 WeakPolarHBondContact O-CG2 3.42Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3Å |
| 76 | N | 76.4 | Confident | 80.1 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 57% | 0.572 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | -178.1 | -74.6 | -31.5 | 0 | 0 | 0 | 112 | D72 E73 A80 | D72-N76 VanDerWaalsContact O-CB 3.3Å; D72-N76 WeakPolarHBondContact O-CB 3.35Å; D72-N76 PolarHBondContact O-N 3.37Å; D72-N76 PolarHBondContact O-ND2 2.92Å; E73-N76 PolarHBondContact O-N 2.82Å; N76-A80 WeakPolarHBondContact O-CB 2.88Å; N76-A80 PolarHBondContact O-N 3.02Å |
| 77 | V | 71.5 | Confident | 80.2 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | E73 V74 I75 A80 | E73-V77 WeakPolarHBondContact O-CG2 3.19Å; E73-V77 PolarHBondContact O-N 3.36Å; E73-V77 VanDerWaalsContact O-N 3.17Å; V74-V77 PolarHBondContact O-N 3.17Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 PolarHBondContact O-N 3.41Å; V77-A80 WeakPolarHBondContact O-CB 3.42Å |
| 78 | Q | 72 | Confident | 80.5 | Confident | 63 Ų | 63 | 76.8 Ų | 76.8 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.6 | -24 | -174.2 | -68.5 | -179.1 | -39.1 | 0 | 0 | 113.4 | F15 V74 I75 | F15-Q78 HydrophobicContact CD1-CB 3.85Å; F15-Q78 HydrophobicContact CD2-CB 3.76Å; F15-Q78 VanDerWaalsContact CD2-CD 3.48Å; F15-Q78 HydrophobicContact CD2-CG 4.13Å; F15-Q78 HydrophobicContact CE1-CB 3.81Å; F15-Q78 HydrophobicContact CE2-CB 3.77Å; F15-Q78 HydrophobicContact CE2-CG 4.26Å; F15-Q78 HydrophobicContact CG-CB 3.83Å; F15-Q78 HydrophobicContact CZ-CB 3.77Å; V74-Q78 WeakPolarHBondContact O-CG 3.38Å; V74-Q78 PolarHBondContact O-N 3.19Å; V74-Q78 VanDerWaalsContact O-N 3.08Å; I75-Q78 PolarHBondContact O-N 3.38Å |
| 79 | T | 75 | Confident | 80.9 | Confident | 41 Ų | 41 | 76.1 Ų | 76.1 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 0.4 | 175.7 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | F15 L61 I75 I81 | F15-T79 HydrophobicContact CE1-CG2 3.85Å; L61-T79 HydrophobicContact CD2-CG2 3.63Å; I75-T79 HydrophobicContact CG2-CG2 3.9Å; I75-T79 VanDerWaalsContact O-CB 3.29Å; I75-T79 WeakPolarHBondContact O-CB 3.45Å; I75-T79 VanDerWaalsContact O-CG2 3.25Å; I75-T79 WeakPolarHBondContact O-CG2 3.42Å; I75-T79 PolarHBondContact O-N 3.43Å; I75-T79 PolarHBondContact O-OG1 3Å; T79-I81 PolarHBondContact O-N 3.02Å; T79-I81 VanDerWaalsContact O-N 3.09Å |
| 80 | A | 79.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 79 Ų | 79 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | trans | -59.7 | 115 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | K21 N76 V77 Q82 | K21-A80 PolarHBondContact NZ-O 2.85Å; N76-A80 WeakPolarHBondContact O-CB 2.88Å; N76-A80 PolarHBondContact O-N 3.02Å; V77-A80 WeakPolarHBondContact O-CB 3.42Å; A80-Q82 PolarHBondContact O-N 2.65Å | ||
| 81 | I | 80.5 | Confident | 82 | Confident | 76 Ų | 76 | 80 Ų | 80 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | trans | -67.7 | 127.9 | -176.2 | -62.9 | 164.9 | 0 | 0 | 0 | 109.9 | T79 E85 T98 L102 | T79-I81 PolarHBondContact O-N 3.02Å; T79-I81 VanDerWaalsContact O-N 3.09Å; I81-E85 WeakPolarHBondContact CG2-OE2 3.28Å; I81-T98 HydrophobicContact CD1-CG2 3.82Å; I81-T98 HydrophobicContact CG2-CG2 4.12Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CG1-CD1 3.82Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å | ||
| 82 | Q | 80.9 | Confident | 83 | Confident | 155 Ų | 155 | 76.9 Ų | 76.9 | 72% | 0.724 | 42% | 0.417 | S | S | * | . | trans | -101.1 | -10.3 | -174.7 | -67 | 178.9 | -4.3 | 0 | 0 | 113.1 | A80 E85 | A80-Q82 PolarHBondContact O-N 2.65Å; Q82-E85 PolarHBondContact N-OE1 2.91Å; Q82-E85 PolarHBondContact N-OE2 2.83Å | ||
| 83 | G | 78.7 | Confident | 83.9 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 97.9 | -12.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E85 | G83-E85 WeakPolarHBondContact CA-OE2 3.3Å; G83-E85 PolarHBondContact N-OE2 3.08Å |
| 84 | N | 86.8 | Confident | 85.5 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | trans | -83.3 | -15.2 | 176.2 | 63.6 | -22.1 | 0 | 0 | 0 | 113.2 | M86 Q87 | N84-M86 PolarHBondContact O-N 2.92Å; N84-M86 VanDerWaalsContact O-N 3.13Å; N84-Q87 VanDerWaalsContact O-CB 3.3Å; N84-Q87 WeakPolarHBondContact O-CB 3.46Å; N84-Q87 VanDerWaalsContact O-CG 3.28Å; N84-Q87 WeakPolarHBondContact O-CG 3.43Å; N84-Q87 PolarHBondContact O-N 2.96Å; N84-Q87 VanDerWaalsContact O-N 3.08Å | ||
| 85 | E | 89.5 | Confident | 87 | Confident | 11 Ų | 11 | 72.8 Ų | 72.8 | 5% | 0.051 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.1 | -174.8 | -55.5 | 89.5 | 158.9 | 0 | 0 | 113.6 | R20 K21 I81 Q82 G83 L102 | R20-E85 PolarHBondContact NH1-O 3.13Å; K21-E85 HydrophobicContact CD-CG 4.24Å; K21-E85 WeakPolarHBondContact CD-OE1 3.45Å; K21-E85 WeakPolarHBondContact CE-OE1 3.16Å; K21-E85 HydrophobicContact CG-CG 4.42Å; K21-E85 IonicContact NZ-OE1 2.71Å; K21-E85 PolarHBondContact NZ-OE1 2.79Å; I81-E85 WeakPolarHBondContact CG2-OE2 3.28Å; Q82-E85 PolarHBondContact N-OE1 2.91Å; Q82-E85 PolarHBondContact N-OE2 2.83Å; G83-E85 WeakPolarHBondContact CA-OE2 3.3Å; G83-E85 PolarHBondContact N-OE2 3.08Å; E85-L102 HydrophobicContact CB-CD1 4.31Å; E85-L102 HydrophobicContact CB-CD2 3.51Å |
| 86 | M | 92.3 | Very high | 88.1 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 18.4 | 173.9 | -64.2 | -170.7 | -63.6 | 0 | 0 | 112.9 | N84 D88 V89 T98 K101 L102 | N84-M86 PolarHBondContact O-N 2.92Å; N84-M86 VanDerWaalsContact O-N 3.13Å; M86-D88 PolarHBondContact O-N 3.18Å; M86-V89 HydrophobicContact CB-CB 4.37Å; M86-V89 WeakPolarHBondContact O-CB 3.49Å; M86-V89 PolarHBondContact O-N 3.16Å; M86-T98 HydrophobicContact CE-CG2 3.69Å; M86-T98 HydrophobicContact SD-CG2 4.24Å; M86-K101 HydrophobicContact SD-CB 3.96Å; M86-K101 HydrophobicContact SD-CD 4.06Å; M86-L102 HydrophobicContact CG-CD2 3.47Å; M86-L102 VanDerWaalsContact CG-CD2 3.47Å; M86-L102 HydrophobicContact CG-CG 4.43Å; M86-L102 HydrophobicContact SD-CD2 4.38Å |
| 87 | Q | 92.7 | Very high | 89 | Confident | 166 Ų | 166 | 71 Ų | 71 | 78% | 0.776 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.1 | -174.4 | 66.9 | -175.9 | -3 | 0 | 0 | 114.3 | N84 V89 | N84-Q87 VanDerWaalsContact O-CB 3.3Å; N84-Q87 WeakPolarHBondContact O-CB 3.46Å; N84-Q87 VanDerWaalsContact O-CG 3.28Å; N84-Q87 WeakPolarHBondContact O-CG 3.43Å; N84-Q87 PolarHBondContact O-N 2.96Å; N84-Q87 VanDerWaalsContact O-N 3.08Å; Q87-V89 VanDerWaalsContact C-N 3.3Å |
| 88 | D | 95.5 | Very high | 90.1 | Very high | 60 Ų | 60 | 68.1 Ų | 68.1 | 32% | 0.321 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.4 | 178.9 | 64.2 | -43.5 | 0 | 0 | 0 | 113.1 | R20 M86 K162 | R20-D88 IonicContact CZ-OD1 2.91Å; R20-D88 IonicContact CZ-OD2 2.73Å; R20-D88 IonicContact NH1-OD1 3.85Å; R20-D88 PolarHBondContact NH1-OD1 2.67Å; R20-D88 IonicContact NH1-OD2 2.57Å; R20-D88 IonicContact NH2-OD1 3.43Å; R20-D88 PolarHBondContact NH2-OD1 3.29Å; R20-D88 IonicContact NH2-OD2 3.27Å; R20-D88 PolarHBondContact NH2-OD2 2.79Å; M86-D88 PolarHBondContact O-N 3.18Å; D88-K162 WeakPolarHBondContact OD2-CE 3.43Å; D88-K162 IonicContact OD2-NZ 2.85Å; D88-K162 PolarHBondContact OD2-NZ 2.97Å |
| 89 | V | 97.3 | Very high | 91 | Very high | 15 Ų | 15 | 72 Ų | 72 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | trans | -118 | 115.3 | -172.5 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | M86 Q87 V91 F158 F160 K162 | M86-V89 HydrophobicContact CB-CB 4.37Å; M86-V89 WeakPolarHBondContact O-CB 3.49Å; M86-V89 PolarHBondContact O-N 3.16Å; Q87-V89 VanDerWaalsContact C-N 3.3Å; V89-V91 HydrophobicContact CG1-CG2 4.32Å; V89-F158 HydrophobicContact CG1-CZ 4.03Å; V89-F160 HydrophobicContact CG1-CB 3.78Å; V89-F160 HydrophobicContact CG1-CD2 3.58Å; V89-F160 HydrophobicContact CG1-CE2 4.4Å; V89-F160 HydrophobicContact CG1-CG 3.87Å; V89-K162 HydrophobicContact CG2-CD 4.44Å; V89-K162 HydrophobicContact CG2-CG 4.39Å | ||
| 90 | H | 97.2 | Very high | 92 | Very high | 123 Ų | 123 | 70.9 Ų | 70.9 | 57% | 0.569 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 103.9 | 172.3 | 178.5 | 71.4 | 0 | 0 | 0 | 110.4 | I92 F160 I161 | H90-I92 PolarHBondContact O-N 3.37Å; H90-F160 CarbonylContact O-C 3.26Å; H90-F160 WeakPolarHBondContact O-CA 3.23Å; H90-F160 WeakPolarHBondContact O-CB 3.42Å; H90-I161 HydrophobicContact CB-CB 4.21Å; H90-I161 PolarHBondContact N-O 3.44Å; H90-I161 PolarHBondContact O-N 3.49Å |
| 91 | V | 97 | Very high | 92.9 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 122.9 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | V89 T94 F158 | V89-V91 HydrophobicContact CG1-CG2 4.32Å; V91-T94 HydrophobicContact CG1-CG2 3.47Å; V91-T94 VanDerWaalsContact CG1-CG2 3.47Å; V91-F158 HydrophobicContact CG1-CE2 4.29Å; V91-F158 HydrophobicContact CG2-CE2 4.02Å |
| 92 | I | 97 | Very high | 93.6 | Very high | 71 Ų | 71 | 66.1 Ų | 66.1 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -50.8 | 174 | -62.4 | 168.4 | 0 | 0 | 0 | 109.8 | H90 C159 I161 I166 | H90-I92 PolarHBondContact O-N 3.37Å; I92-C159 HydrophobicContact CB-CB 4.46Å; I92-C159 PolarHBondContact N-O 2.84Å; I92-I161 HydrophobicContact CD1-CD1 4.24Å; I92-I161 HydrophobicContact CD1-CG1 3.74Å; I92-I161 HydrophobicContact CG1-CG1 4.12Å; I92-I166 HydrophobicContact CD1-CG1 4.44Å; I92-I166 HydrophobicContact CD1-CG2 4Å |
| 93 | Q | 96.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 59.3 Ų | 59.3 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 138 | -178.4 | -174.4 | -178.7 | 4.5 | 0 | 0 | 110.4 | C159 | Q93-C159 HydrophobicContact CB-CB 4.39Å; Q93-C159 PolarHBondContact N-O 2.8Å; Q93-C159 WeakPolarHBondContact O-CA 3.44Å; Q93-C159 PolarHBondContact O-N 3.05Å |
| 94 | T | 98.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 147.1 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | V91 M96 K101 N157 | V91-T94 HydrophobicContact CG1-CG2 3.47Å; V91-T94 VanDerWaalsContact CG1-CG2 3.47Å; T94-M96 WeakPolarHBondContact OG1-CB 3.43Å; T94-M96 PolarHBondContact OG1-N 3.22Å; T94-M96 VanDerWaalsContact OG1-N 3.08Å; T94-K101 WeakPolarHBondContact OG1-CE 3.16Å; T94-N157 VanDerWaalsContact CA-O 3.23Å; T94-N157 WeakPolarHBondContact CA-O 3.19Å; T94-N157 WeakPolarHBondContact CB-O 3.31Å; T94-N157 PolarHBondContact OG1-O 3.46Å |
| 95 | D | 98 | Very high | 95.8 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | trans | -115.4 | 3.6 | 163.7 | 61.9 | -4.5 | 0 | 0 | 0 | 112.1 | H152 G155 Y156 N157 | D95-H152 IonicContact OD1-NE2 3.41Å; D95-H152 IonicContact OD2-CD2 3.97Å; D95-H152 PolarHBondContact OD2-CD2 3.29Å; D95-H152 IonicContact OD2-NE2 2.93Å; D95-H152 PolarHBondContact OD2-NE2 2.97Å; D95-G155 VanDerWaalsContact CG-N 3.25Å; D95-G155 PolarHBondContact OD2-N 2.93Å; D95-Y156 PolarHBondContact OD1-N 3.4Å; D95-N157 PolarHBondContact N-O 3.32Å; D95-N157 WeakPolarHBondContact OD1-CA 2.94Å; D95-N157 WeakPolarHBondContact OD1-CB 3.46Å; D95-N157 PolarHBondContact OD1-N 2.88Å | ||
| 96 | M | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -75.5 | 146.6 | -176.4 | -171.8 | -178 | -71.1 | 0 | 0 | 112.3 | T94 M100 K101 I104 W137 G155 N157 F158 | T94-M96 WeakPolarHBondContact OG1-CB 3.43Å; T94-M96 PolarHBondContact OG1-N 3.22Å; T94-M96 VanDerWaalsContact OG1-N 3.08Å; M96-M100 HydrophobicContact CE-CG 4.29Å; M96-M100 HydrophobicContact CE-SD 3.83Å; M96-M100 HydrophobicContact CG-CB 3.73Å; M96-M100 HydrophobicContact CG-CG 3.84Å; M96-M100 HydrophobicContact CG-SD 3.65Å; M96-M100 HydrophobicContact SD-CB 3.85Å; M96-M100 HydrophobicContact SD-CG 3.49Å; M96-M100 WeakPolarHBondContact SD-CG 3.47Å; M96-M100 HydrophobicContact SD-SD 3.7Å; M96-M100 VanDerWaalsContact SD-SD 3.7Å; M96-K101 HydrophobicContact CB-CG 4.27Å; M96-K101 HydrophobicContact CG-CG 4.19Å; M96-K101 WeakPolarHBondContact O-CE 3.48Å; M96-K101 PolarHBondContact O-NZ 2.71Å; M96-K101 HydrophobicContact SD-CG 4.06Å; M96-I104 HydrophobicContact CE-CD1 3.55Å; M96-I104 HydrophobicContact SD-CD1 3.36Å; M96-I104 WeakPolarHBondContact SD-CD1 3.37Å; M96-W137 HydrophobicContact CE-CH2 3.76Å; M96-W137 HydrophobicContact CE-CZ3 3.88Å; M96-G155 VanDerWaalsContact CA-O 3.3Å; M96-G155 WeakPolarHBondContact CA-O 3.48Å; M96-N157 WeakPolarHBondContact CB-O 3.41Å; M96-F158 HydrophobicContact CE-CB 3.73Å; M96-F158 HydrophobicContact SD-CB 3.84Å; M96-F158 HydrophobicContact SD-CD1 4.31Å; M96-F158 HydrophobicContact SD-CG 4.33Å |
| 97 | N | 95.4 | Very high | 96.4 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | trans | -70.9 | 157 | 175.1 | 72.3 | 63.4 | 0 | 0 | 0 | 111.8 | K99 M100 K101 | N97-K99 PolarHBondContact O-N 3.06Å; N97-K99 PolarHBondContact OD1-N 3.41Å; N97-M100 PolarHBondContact O-N 2.94Å; N97-M100 PolarHBondContact OD1-N 3.29Å; N97-K101 WeakPolarHBondContact O-CG 3.34Å; N97-K101 PolarHBondContact O-N 3.35Å; N97-K101 VanDerWaalsContact O-N 3.16Å | ||
| 98 | T | 93.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -38.2 | -174.3 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | I81 M86 M100 K101 L102 | I81-T98 HydrophobicContact CD1-CG2 3.82Å; I81-T98 HydrophobicContact CG2-CG2 4.12Å; M86-T98 HydrophobicContact CE-CG2 3.69Å; M86-T98 HydrophobicContact SD-CG2 4.24Å; T98-M100 VanDerWaalsContact C-N 3.34Å; T98-M100 PolarHBondContact O-N 3.43Å; T98-K101 WeakPolarHBondContact O-CB 3.49Å; T98-K101 PolarHBondContact O-N 3.22Å; T98-L102 HydrophobicContact CG2-CD1 4.25Å; T98-L102 HydrophobicContact CG2-CG 4.35Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.07Å |
| 99 | K | 92.2 | Very high | 96.6 | Very high | 145 Ų | 145 | 41.3 Ų | 41.3 | 63% | 0.63 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -59.6 | -46.1 | 179.7 | -174 | 176.4 | -178.8 | 177.8 | 0 | 111.2 | N97 L102 T103 | N97-K99 PolarHBondContact O-N 3.06Å; N97-K99 PolarHBondContact OD1-N 3.41Å; K99-L102 PolarHBondContact O-N 3.27Å; K99-T103 PolarHBondContact O-N 3.2Å; K99-T103 PolarHBondContact O-OG1 3.18Å |
| 100 | M | 96.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.2 | -170.1 | 179.5 | -73.7 | 0 | 0 | 112.2 | M96 N97 T98 L102 T103 I104 F133 W137 Y156 | M96-M100 HydrophobicContact CE-CG 4.29Å; M96-M100 HydrophobicContact CE-SD 3.83Å; M96-M100 HydrophobicContact CG-CB 3.73Å; M96-M100 HydrophobicContact CG-CG 3.84Å; M96-M100 HydrophobicContact CG-SD 3.65Å; M96-M100 HydrophobicContact SD-CB 3.85Å; M96-M100 HydrophobicContact SD-CG 3.49Å; M96-M100 WeakPolarHBondContact SD-CG 3.47Å; M96-M100 HydrophobicContact SD-SD 3.7Å; M96-M100 VanDerWaalsContact SD-SD 3.7Å; N97-M100 PolarHBondContact O-N 2.94Å; N97-M100 PolarHBondContact OD1-N 3.29Å; T98-M100 VanDerWaalsContact C-N 3.34Å; T98-M100 PolarHBondContact O-N 3.43Å; M100-L102 PolarHBondContact O-N 2.88Å; M100-T103 WeakPolarHBondContact O-CB 3.47Å; M100-T103 PolarHBondContact O-N 2.92Å; M100-I104 HydrophobicContact CG-CD1 4.41Å; M100-I104 WeakPolarHBondContact O-CG1 3.46Å; M100-I104 PolarHBondContact O-N 3.47Å; M100-F133 HydrophobicContact CB-CZ 4.46Å; M100-F133 HydrophobicContact CE-CD1 3.82Å; M100-F133 HydrophobicContact CE-CE1 4Å; M100-F133 HydrophobicContact CE-CG 4.12Å; M100-F133 HydrophobicContact CE-CZ 4.43Å; M100-F133 HydrophobicContact CG-CD2 4.25Å; M100-F133 HydrophobicContact CG-CE1 4.21Å; M100-F133 HydrophobicContact CG-CE2 3.74Å; M100-F133 HydrophobicContact CG-CZ 3.71Å; M100-W137 HydrophobicContact SD-CH2 3.98Å; M100-W137 HydrophobicContact SD-CZ2 4.38Å; M100-Y156 HydrophobicContact CE-CD1 4.06Å; M100-Y156 HydrophobicContact CE-CE1 3.61Å; M100-Y156 HydrophobicContact SD-CD1 3.87Å; M100-Y156 HydrophobicContact SD-CE1 4.06Å |
| 101 | K | 97.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 36.1 Ų | 36.1 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 172.4 | -67.7 | 171.8 | -175.9 | 155.5 | 0 | 111.9 | M86 T94 M96 N97 T98 T103 I104 C105 F158 | M86-K101 HydrophobicContact SD-CB 3.96Å; M86-K101 HydrophobicContact SD-CD 4.06Å; T94-K101 WeakPolarHBondContact OG1-CE 3.16Å; M96-K101 HydrophobicContact CB-CG 4.27Å; M96-K101 HydrophobicContact CG-CG 4.19Å; M96-K101 WeakPolarHBondContact O-CE 3.48Å; M96-K101 PolarHBondContact O-NZ 2.71Å; M96-K101 HydrophobicContact SD-CG 4.06Å; N97-K101 WeakPolarHBondContact O-CG 3.34Å; N97-K101 PolarHBondContact O-N 3.35Å; N97-K101 VanDerWaalsContact O-N 3.16Å; T98-K101 WeakPolarHBondContact O-CB 3.49Å; T98-K101 PolarHBondContact O-N 3.22Å; K101-T103 VanDerWaalsContact C-N 3.34Å; K101-T103 PolarHBondContact O-N 2.86Å; K101-I104 PolarHBondContact O-N 3.43Å; K101-C105 PolarHBondContact O-N 2.97Å; K101-C105 PolarHBondContact O-SG 3.46Å; K101-F158 HydrophobicContact CB-CD1 4.23Å; K101-F158 HydrophobicContact CB-CE1 3.73Å; K101-F158 HydrophobicContact CB-CZ 3.88Å; K101-F158 HydrophobicContact CD-CD2 4.33Å; K101-F158 HydrophobicContact CD-CE2 4Å; K101-F158 HydrophobicContact CD-CZ 4.16Å; K101-F158 HydrophobicContact CG-CD1 3.94Å; K101-F158 HydrophobicContact CG-CD2 4.08Å; K101-F158 HydrophobicContact CG-CE1 3.82Å; K101-F158 HydrophobicContact CG-CE2 3.96Å; K101-F158 HydrophobicContact CG-CG 4.07Å; K101-F158 HydrophobicContact CG-CZ 3.83Å |
| 102 | L | 95.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.9 | -67.8 | 174.3 | 0 | 0 | 0 | 111.9 | R20 K21 I81 E85 M86 T98 K99 M100 C105 G106 | R20-L102 HydrophobicContact CG-CD2 4.09Å; K21-L102 HydrophobicContact CB-CD1 4.36Å; I81-L102 HydrophobicContact CD1-CD1 3.72Å; I81-L102 HydrophobicContact CG1-CD1 3.82Å; I81-L102 HydrophobicContact CG2-CD1 4.33Å; E85-L102 HydrophobicContact CB-CD1 4.31Å; E85-L102 HydrophobicContact CB-CD2 3.51Å; M86-L102 HydrophobicContact CG-CD2 3.47Å; M86-L102 VanDerWaalsContact CG-CD2 3.47Å; M86-L102 HydrophobicContact CG-CG 4.43Å; M86-L102 HydrophobicContact SD-CD2 4.38Å; T98-L102 HydrophobicContact CG2-CD1 4.25Å; T98-L102 HydrophobicContact CG2-CG 4.35Å; T98-L102 WeakPolarHBondContact O-CG 3.4Å; T98-L102 PolarHBondContact O-N 3.07Å; K99-L102 PolarHBondContact O-N 3.27Å; M100-L102 PolarHBondContact O-N 2.88Å; L102-C105 PolarHBondContact O-N 3.4Å; L102-G106 PolarHBondContact O-N 3.29Å |
| 103 | T | 96.5 | Very high | 96.2 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -49.4 | 171 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | K22 W24 K99 M100 K101 C105 G106 L107 F133 | K22-T103 PolarHBondContact O-OG1 3.44Å; W24-T103 HydrophobicContact CH2-CG2 3.71Å; W24-T103 WeakPolarHBondContact CH2-O 2.93Å; W24-T103 HydrophobicContact CZ3-CG2 3.57Å; K99-T103 PolarHBondContact O-N 3.2Å; K99-T103 PolarHBondContact O-OG1 3.18Å; M100-T103 WeakPolarHBondContact O-CB 3.47Å; M100-T103 PolarHBondContact O-N 2.92Å; K101-T103 VanDerWaalsContact C-N 3.34Å; K101-T103 PolarHBondContact O-N 2.86Å; T103-C105 PolarHBondContact O-N 3.41Å; T103-G106 PolarHBondContact O-N 3.24Å; T103-L107 HydrophobicContact CG2-CD1 4.48Å; T103-L107 PolarHBondContact O-N 2.9Å; T103-F133 HydrophobicContact CG2-CE2 3.67Å; T103-F133 HydrophobicContact CG2-CZ 3.43Å; T103-F133 VanDerWaalsContact CG2-CZ 3.43Å |
| 104 | I | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.8 | -70.7 | 167.7 | 0 | 0 | 0 | 111.3 | M96 M100 K101 G106 L107 I108 L129 W137 F158 F160 V169 | M96-I104 HydrophobicContact CE-CD1 3.55Å; M96-I104 HydrophobicContact SD-CD1 3.36Å; M96-I104 WeakPolarHBondContact SD-CD1 3.37Å; M100-I104 HydrophobicContact CG-CD1 4.41Å; M100-I104 WeakPolarHBondContact O-CG1 3.46Å; M100-I104 PolarHBondContact O-N 3.47Å; K101-I104 PolarHBondContact O-N 3.43Å; I104-G106 VanDerWaalsContact C-N 3.3Å; I104-G106 PolarHBondContact O-N 3.48Å; I104-L107 PolarHBondContact O-N 3Å; I104-I108 HydrophobicContact CG2-CD1 3.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.04Å; I104-L129 HydrophobicContact CD1-CD2 4.28Å; I104-L129 HydrophobicContact CG1-CD2 3.6Å; I104-W137 HydrophobicContact CD1-CH2 4.47Å; I104-W137 HydrophobicContact CD1-CZ3 4.35Å; I104-F158 HydrophobicContact CB-CD1 4.29Å; I104-F158 HydrophobicContact CD1-CD1 4.05Å; I104-F158 HydrophobicContact CG2-CD1 4.09Å; I104-F158 HydrophobicContact CG2-CE1 4.37Å; I104-F160 HydrophobicContact CG2-CE1 4.34Å; I104-F160 HydrophobicContact CG2-CZ 4.18Å; I104-V169 HydrophobicContact CD1-CG1 4.02Å; I104-V169 HydrophobicContact CG2-CG1 4.45Å; I104-V169 HydrophobicContact CG2-CG2 4.38Å |
| 105 | C | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 177 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | K101 L102 T103 I108 D109 | K101-C105 PolarHBondContact O-N 2.97Å; K101-C105 PolarHBondContact O-SG 3.46Å; L102-C105 PolarHBondContact O-N 3.4Å; T103-C105 PolarHBondContact O-N 3.41Å; C105-I108 PolarHBondContact O-N 3.47Å; C105-D109 PolarHBondContact O-N 3.25Å |
| 106 | G | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L102 T103 I104 I108 D109 E110 | L102-G106 PolarHBondContact O-N 3.29Å; T103-G106 PolarHBondContact O-N 3.24Å; I104-G106 VanDerWaalsContact C-N 3.3Å; I104-G106 PolarHBondContact O-N 3.48Å; G106-I108 VanDerWaalsContact C-N 3.31Å; G106-D109 PolarHBondContact O-N 2.81Å; G106-E110 WeakPolarHBondContact O-CB 3.35Å; G106-E110 PolarHBondContact O-N 3.22Å |
| 107 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 172.2 | -72.3 | 171.6 | 0 | 0 | 0 | 111.4 | W24 T103 I104 G111 F124 L125 E128 L129 Y132 | W24-L107 HydrophobicContact CH2-CD2 3.94Å; W24-L107 HydrophobicContact CH2-CG 3.74Å; W24-L107 HydrophobicContact CZ2-CD2 3.65Å; W24-L107 HydrophobicContact CZ2-CG 3.84Å; T103-L107 HydrophobicContact CG2-CD1 4.48Å; T103-L107 PolarHBondContact O-N 2.9Å; I104-L107 PolarHBondContact O-N 3Å; L107-G111 PolarHBondContact O-N 3.17Å; L107-F124 WeakPolarHBondContact O-CE1 3.35Å; L107-L125 HydrophobicContact CB-CD2 3.74Å; L107-E128 HydrophobicContact CD1-CB 3.92Å; L107-E128 HydrophobicContact CD2-CB 3.83Å; L107-E128 HydrophobicContact CD2-CG 4.1Å; L107-E128 HydrophobicContact CG-CB 4.49Å; L107-L129 HydrophobicContact CD1-CD2 3.86Å; L107-L129 HydrophobicContact CD1-CG 4.29Å; L107-Y132 HydrophobicContact CD1-CD2 4.49Å; L107-Y132 HydrophobicContact CD2-CE2 4.27Å |
| 108 | I | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 177.1 | -70 | 165.9 | 0 | 0 | 0 | 111.1 | I104 C105 G106 E110 G111 I112 L125 F160 K162 F167 | I104-I108 HydrophobicContact CG2-CD1 3.92Å; I104-I108 WeakPolarHBondContact O-CG1 3.43Å; I104-I108 PolarHBondContact O-N 3.04Å; C105-I108 PolarHBondContact O-N 3.47Å; G106-I108 VanDerWaalsContact C-N 3.31Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 2.8Å; I108-G111 PolarHBondContact O-N 3.22Å; I108-I112 HydrophobicContact CG2-CD1 3.52Å; I108-I112 HydrophobicContact CG2-CG1 4.16Å; I108-I112 WeakPolarHBondContact O-CB 3.23Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.31Å; I108-I112 PolarHBondContact O-N 2.71Å; I108-L125 HydrophobicContact CB-CD2 4.5Å; I108-L125 HydrophobicContact CG1-CD1 3.75Å; I108-L125 HydrophobicContact CG1-CD2 3.67Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; I108-F160 HydrophobicContact CD1-CE2 3.89Å; I108-F160 HydrophobicContact CD1-CZ 3.4Å; I108-K162 HydrophobicContact CG2-CD 3.95Å; I108-F167 HydrophobicContact CD1-CD1 3.88Å; I108-F167 HydrophobicContact CD1-CD2 4.42Å; I108-F167 HydrophobicContact CD1-CE1 4Å; I108-F167 HydrophobicContact CD1-CG 4.1Å; I108-F167 HydrophobicContact CD1-CZ 4.32Å; I108-F167 HydrophobicContact CG1-CE1 4.23Å; I108-F167 HydrophobicContact CG2-CE1 4.24Å; I108-F167 HydrophobicContact CG2-CE2 4.25Å; I108-F167 HydrophobicContact CG2-CZ 3.78Å |
| 109 | D | 95.2 | Very high | 95.9 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 175.8 | -72.7 | -21.4 | 0 | 0 | 0 | 111.1 | R20 C105 G106 L113 K162 | R20-D109 IonicContact CZ-OD2 2.69Å; R20-D109 IonicContact NE-OD2 3.91Å; R20-D109 PolarHBondContact NE-OD2 3.41Å; R20-D109 IonicContact NH2-OD1 2.91Å; R20-D109 PolarHBondContact NH2-OD1 3.09Å; R20-D109 IonicContact NH2-OD2 3.97Å; R20-D109 PolarHBondContact NH2-OD2 3.23Å; C105-D109 PolarHBondContact O-N 3.25Å; G106-D109 PolarHBondContact O-N 2.81Å; D109-L113 WeakPolarHBondContact O-CG 3.3Å; D109-K162 WeakPolarHBondContact OD1-CE 3.31Å; D109-K162 IonicContact OD1-NZ 2.93Å; D109-K162 PolarHBondContact OD1-NZ 3.4Å |
| 110 | E | 95 | Very high | 96.2 | Very high | 29 Ų | 29 | 47.7 Ų | 47.7 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.8 | -172.9 | -178.2 | 142.1 | 0 | 0 | 111.7 | W24 T26 R58 G106 I108 I112 L113 I114 | W24-E110 PolarHBondContact NE1-OE2 3.12Å; T26-E110 HydrophobicContact CG2-CG 4.26Å; T26-E110 WeakPolarHBondContact CG2-OE2 3.27Å; R58-E110 IonicContact CZ-OE1 3.49Å; R58-E110 VanDerWaalsContact CZ-OE1 3.29Å; R58-E110 IonicContact CZ-OE2 2.8Å; R58-E110 IonicContact NE-OE1 2.73Å; R58-E110 PolarHBondContact NE-OE1 3.33Å; R58-E110 VanDerWaalsContact NE-OE1 3.07Å; R58-E110 IonicContact NE-OE2 2.8Å; R58-E110 PolarHBondContact NE-OE2 2.93Å; R58-E110 IonicContact NH2-OE1 2.69Å; R58-E110 PolarHBondContact NH2-OE1 2.85Å; R58-E110 IonicContact NH2-OE2 3.13Å; R58-E110 PolarHBondContact NH2-OE2 3.34Å; G106-E110 WeakPolarHBondContact O-CB 3.35Å; G106-E110 PolarHBondContact O-N 3.22Å; I108-E110 VanDerWaalsContact C-N 3.3Å; I108-E110 PolarHBondContact O-N 2.8Å; E110-I112 PolarHBondContact O-N 2.8Å; E110-L113 PolarHBondContact O-N 3.49Å; E110-I114 HydrophobicContact CG-CD1 4.15Å; E110-I114 WeakPolarHBondContact O-CG1 3.34Å; E110-I114 PolarHBondContact O-N 2.69Å |
| 111 | G | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L107 I108 L113 I114 Y115 L121 | L107-G111 PolarHBondContact O-N 3.17Å; I108-G111 PolarHBondContact O-N 3.22Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å; G111-I114 PolarHBondContact O-N 3.25Å; G111-I114 VanDerWaalsContact O-N 3.11Å; G111-Y115 WeakPolarHBondContact O-CD2 3.16Å; G111-Y115 PolarHBondContact O-N 3.35Å; G111-L121 VanDerWaalsContact C-CD1 3.49Å |
| 112 | I | 95.3 | Very high | 96.3 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -32.1 | 180 | -73.6 | 173.2 | 0 | 0 | 0 | 111.6 | I108 E110 I114 L121 | I108-I112 HydrophobicContact CG2-CD1 3.52Å; I108-I112 HydrophobicContact CG2-CG1 4.16Å; I108-I112 WeakPolarHBondContact O-CB 3.23Å; I108-I112 VanDerWaalsContact O-CG1 3.31Å; I108-I112 WeakPolarHBondContact O-CG1 3.31Å; I108-I112 PolarHBondContact O-N 2.71Å; E110-I112 PolarHBondContact O-N 2.8Å; I112-I114 VanDerWaalsContact C-N 3.25Å; I112-I114 PolarHBondContact O-N 3.05Å; I112-L121 HydrophobicContact CD1-CD2 4.45Å; I112-L121 HydrophobicContact CG1-CD1 4.36Å; I112-L121 HydrophobicContact CG1-CD2 3.64Å |
| 113 | L | 93 | Very high | 96.5 | Very high | 154 Ų | 154 | 52.4 Ų | 52.4 | 81% | 0.806 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -68.7 | -26.9 | 175.8 | -66.6 | 173.7 | 0 | 0 | 0 | 112.4 | D109 E110 G111 | D109-L113 WeakPolarHBondContact O-CG 3.3Å; E110-L113 PolarHBondContact O-N 3.49Å; G111-L113 VanDerWaalsContact C-N 3.28Å; G111-L113 PolarHBondContact O-N 3.08Å |
| 114 | I | 94 | Very high | 96.6 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 50% | 0.503 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -97.4 | -42.6 | -175 | -60.6 | 168.9 | 0 | 0 | 0 | 111.4 | E110 G111 I112 | E110-I114 HydrophobicContact CG-CD1 4.15Å; E110-I114 WeakPolarHBondContact O-CG1 3.34Å; E110-I114 PolarHBondContact O-N 2.69Å; G111-I114 PolarHBondContact O-N 3.25Å; G111-I114 VanDerWaalsContact O-N 3.11Å; I112-I114 VanDerWaalsContact C-N 3.25Å; I112-I114 PolarHBondContact O-N 3.05Å |
| 115 | Y | 96.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 53 Ų | 53 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | trans | -113.5 | 105.2 | -170.9 | -55.9 | -73.3 | 0 | 0 | 0 | 110.8 | G111 D117 K120 F124 | G111-Y115 WeakPolarHBondContact O-CD2 3.16Å; G111-Y115 PolarHBondContact O-N 3.35Å; Y115-D117 VanDerWaalsContact C-N 3.27Å; Y115-K120 HydrophobicContact CD1-CB 3.78Å; Y115-K120 HydrophobicContact CD1-CD 4.43Å; Y115-K120 HydrophobicContact CE1-CB 4.47Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; Y115-F124 HydrophobicContact CD2-CB 3.95Å; Y115-F124 HydrophobicContact CD2-CD1 4.28Å; Y115-F124 HydrophobicContact CD2-CG 4.01Å; Y115-F124 HydrophobicContact CE2-CB 3.52Å; Y115-F124 HydrophobicContact CE2-CD1 4.02Å; Y115-F124 AromaticContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CE2 4.22Å; Y115-F124 AromaticContact CE2-CG 3.41Å; Y115-F124 HydrophobicContact CE2-CG 3.41Å; Y115-F124 VanDerWaalsContact CE2-CG 3.41Å | ||
| 116 | Q | 91.7 | Very high | 96.6 | Very high | 192 Ų | 192 | 56.6 Ų | 56.6 | 90% | 0.897 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -73.9 | -20.9 | 171.6 | -64.5 | -177.7 | -0.3 | 0 | 0 | 113 | ||
| 117 | D | 96 | Very high | 96.7 | Very high | 78 Ų | 78 | 59.5 Ų | 59.5 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -92.5 | 116.5 | 177.4 | 174.8 | 7.3 | 0 | 0 | 0 | 109.8 | Y115 S119 K120 L121 | Y115-D117 VanDerWaalsContact C-N 3.27Å; D117-S119 PolarHBondContact O-N 3.39Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 2.97Å; D117-K120 HydrophobicContact CB-CB 4.42Å; D117-K120 HydrophobicContact CB-CD 4.29Å; D117-K120 HydrophobicContact CB-CG 4.31Å; D117-K120 PolarHBondContact O-N 3.3Å; D117-K120 VanDerWaalsContact O-N 3.08Å; D117-L121 PolarHBondContact O-N 2.87Å |
| 118 | D | 97.2 | Very high | 96.7 | Very high | 32 Ų | 32 | 60.4 Ų | 60.4 | 17% | 0.171 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -23.6 | -177.6 | -65.2 | -54.7 | 0 | 0 | 0 | 113 | L121 A122 I141 Y143 R165 | D118-L121 PolarHBondContact O-N 3.5Å; D118-A122 WeakPolarHBondContact O-CB 3.36Å; D118-A122 PolarHBondContact O-N 2.73Å; D118-I141 HydrophobicContact CB-CD1 4.24Å; D118-I141 HydrophobicContact CB-CG2 4.42Å; D118-Y143 PolarHBondContact OD1-OH 2.93Å; D118-Y143 WeakPolarHBondContact OD2-CE2 3.4Å; D118-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D118-Y143 PolarHBondContact OD2-OH 3.41Å; D118-R165 IonicContact OD1-CZ 3.29Å; D118-R165 IonicContact OD1-NE 3.4Å; D118-R165 PolarHBondContact OD1-NE 2.83Å; D118-R165 IonicContact OD1-NH2 3.49Å; D118-R165 PolarHBondContact OD1-NH2 3.41Å; D118-R165 IonicContact OD2-NE 3.22Å |
| 119 | S | 97.5 | Very high | 96.8 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 59% | 0.594 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 110.7 | D117 A122 E123 | D117-S119 PolarHBondContact O-N 3.39Å; D117-S119 VanDerWaalsContact OD1-CB 3.3Å; D117-S119 WeakPolarHBondContact OD1-CB 3.41Å; D117-S119 PolarHBondContact OD1-N 2.97Å; S119-A122 PolarHBondContact O-N 3.25Å; S119-E123 PolarHBondContact O-N 2.69Å; S119-E123 VanDerWaalsContact O-N 3.09Å |
| 120 | K | 98.5 | Very high | 96.9 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 50% | 0.496 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 175.5 | -66 | -178.9 | -176.8 | 178.2 | 0 | 111.9 | Y115 D117 E123 F124 | Y115-K120 HydrophobicContact CD1-CB 3.78Å; Y115-K120 HydrophobicContact CD1-CD 4.43Å; Y115-K120 HydrophobicContact CE1-CB 4.47Å; Y115-K120 HydrophobicContact CG-CB 4.23Å; D117-K120 HydrophobicContact CB-CB 4.42Å; D117-K120 HydrophobicContact CB-CD 4.29Å; D117-K120 HydrophobicContact CB-CG 4.31Å; D117-K120 PolarHBondContact O-N 3.3Å; D117-K120 VanDerWaalsContact O-N 3.08Å; K120-E123 PolarHBondContact O-N 3.44Å; K120-F124 VanDerWaalsContact O-CB 3.31Å; K120-F124 WeakPolarHBondContact O-CB 3.47Å; K120-F124 PolarHBondContact O-N 3.08Å |
| 121 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 172.9 | -179.9 | 58.7 | 0 | 0 | 0 | 111 | G111 I112 D117 D118 E123 F124 L125 I141 | G111-L121 VanDerWaalsContact C-CD1 3.49Å; I112-L121 HydrophobicContact CD1-CD2 4.45Å; I112-L121 HydrophobicContact CG1-CD1 4.36Å; I112-L121 HydrophobicContact CG1-CD2 3.64Å; D117-L121 PolarHBondContact O-N 2.87Å; D118-L121 PolarHBondContact O-N 3.5Å; L121-E123 PolarHBondContact O-N 3.32Å; L121-F124 HydrophobicContact CD1-CD1 4.42Å; L121-F124 PolarHBondContact O-N 2.9Å; L121-L125 HydrophobicContact CD1-CD1 4.08Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 3.96Å; L121-L125 HydrophobicContact CG-CG 4.41Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.98Å; L121-I141 HydrophobicContact CB-CD1 4.18Å; L121-I141 HydrophobicContact CD2-CD1 3.86Å; L121-I141 HydrophobicContact CG-CD1 3.92Å |
| 122 | A | 98.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | D118 S119 L125 K126 V139 I141 | D118-A122 WeakPolarHBondContact O-CB 3.36Å; D118-A122 PolarHBondContact O-N 2.73Å; S119-A122 PolarHBondContact O-N 3.25Å; A122-L125 PolarHBondContact O-N 2.88Å; A122-K126 VanDerWaalsContact O-CB 3.31Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.27Å; A122-V139 HydrophobicContact CB-CG1 4.22Å; A122-I141 HydrophobicContact CB-CD1 4.01Å; A122-I141 HydrophobicContact CB-CG1 4.35Å |
| 123 | E | 98.7 | Very high | 96.7 | Very high | 120 Ų | 120 | 70.1 Ų | 70.1 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.6 | -48.2 | 174.7 | -176 | -178 | 172.3 | 0 | 0 | 111.8 | S119 K120 L121 K126 N127 | S119-E123 PolarHBondContact O-N 2.69Å; S119-E123 VanDerWaalsContact O-N 3.09Å; K120-E123 PolarHBondContact O-N 3.44Å; L121-E123 PolarHBondContact O-N 3.32Å; E123-K126 PolarHBondContact O-N 2.81Å; E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.38Å; E123-N127 PolarHBondContact O-ND2 3.42Å |
| 124 | F | 98.5 | Very high | 96.9 | Very high | 21 Ų | 21 | 64.4 Ų | 64.4 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -52.8 | 175.8 | 164.9 | -101 | 0 | 0 | 0 | 111.3 | L107 Y115 K120 L121 K126 N127 E128 | L107-F124 WeakPolarHBondContact O-CE1 3.35Å; Y115-F124 HydrophobicContact CD2-CB 3.95Å; Y115-F124 HydrophobicContact CD2-CD1 4.28Å; Y115-F124 HydrophobicContact CD2-CG 4.01Å; Y115-F124 HydrophobicContact CE2-CB 3.52Å; Y115-F124 HydrophobicContact CE2-CD1 4.02Å; Y115-F124 AromaticContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CD2 3.54Å; Y115-F124 HydrophobicContact CE2-CE2 4.22Å; Y115-F124 AromaticContact CE2-CG 3.41Å; Y115-F124 HydrophobicContact CE2-CG 3.41Å; Y115-F124 VanDerWaalsContact CE2-CG 3.41Å; K120-F124 VanDerWaalsContact O-CB 3.31Å; K120-F124 WeakPolarHBondContact O-CB 3.47Å; K120-F124 PolarHBondContact O-N 3.08Å; L121-F124 HydrophobicContact CD1-CD1 4.42Å; L121-F124 PolarHBondContact O-N 2.9Å; F124-K126 VanDerWaalsContact C-N 3.35Å; F124-K126 PolarHBondContact O-N 3.4Å; F124-N127 PolarHBondContact O-N 3.11Å; F124-E128 HydrophobicContact CD2-CG 3.94Å; F124-E128 HydrophobicContact CE1-CG 4.31Å; F124-E128 HydrophobicContact CE2-CG 3.58Å; F124-E128 HydrophobicContact CG-CG 4.48Å; F124-E128 HydrophobicContact CZ-CG 3.79Å; F124-E128 WeakPolarHBondContact O-CG 3.47Å; F124-E128 PolarHBondContact O-N 2.8Å |
| 125 | L | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | -179.4 | -69.9 | 172.5 | 0 | 0 | 0 | 111.3 | L107 I108 L121 A122 N127 E128 L129 V139 F167 | L107-L125 HydrophobicContact CB-CD2 3.74Å; I108-L125 HydrophobicContact CB-CD2 4.5Å; I108-L125 HydrophobicContact CG1-CD1 3.75Å; I108-L125 HydrophobicContact CG1-CD2 3.67Å; I108-L125 HydrophobicContact CG1-CG 4.37Å; L121-L125 HydrophobicContact CD1-CD1 4.08Å; L121-L125 HydrophobicContact CD1-CG 4.1Å; L121-L125 HydrophobicContact CG-CD1 3.96Å; L121-L125 HydrophobicContact CG-CG 4.41Å; L121-L125 WeakPolarHBondContact O-CB 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3Å; L121-L125 PolarHBondContact O-N 2.98Å; A122-L125 PolarHBondContact O-N 2.88Å; L125-N127 PolarHBondContact O-N 2.79Å; L125-E128 PolarHBondContact O-N 2.98Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 2.73Å; L125-V139 HydrophobicContact CB-CG1 4.03Å; L125-V139 HydrophobicContact CB-CG2 4.07Å; L125-V139 HydrophobicContact CD1-CG1 3.95Å; L125-F167 HydrophobicContact CD1-CE1 4.25Å |
| 126 | K | 98.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 177.9 | 179.6 | -123.7 | 179.3 | -91.7 | 0 | 111.5 | A122 E123 F124 E128 L129 D130 V139 | A122-K126 VanDerWaalsContact O-CB 3.31Å; A122-K126 WeakPolarHBondContact O-CB 3.4Å; A122-K126 PolarHBondContact O-N 3.27Å; E123-K126 PolarHBondContact O-N 2.81Å; F124-K126 VanDerWaalsContact C-N 3.35Å; F124-K126 PolarHBondContact O-N 3.4Å; K126-E128 VanDerWaalsContact C-N 3.35Å; K126-E128 PolarHBondContact O-N 2.99Å; K126-L129 PolarHBondContact O-N 3.27Å; K126-D130 IonicContact NZ-OD2 3.65Å; K126-D130 PolarHBondContact NZ-OD2 2.96Å; K126-D130 WeakPolarHBondContact O-CB 3.42Å; K126-D130 PolarHBondContact O-N 3.12Å; K126-V139 HydrophobicContact CB-CG2 4.04Å |
| 127 | N | 98.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 179.5 | -71.8 | -23.1 | 0 | 0 | 0 | 112.2 | E123 F124 L125 K131 | E123-N127 WeakPolarHBondContact O-CB 3.36Å; E123-N127 VanDerWaalsContact O-CG 3.24Å; E123-N127 PolarHBondContact O-N 3.38Å; E123-N127 PolarHBondContact O-ND2 3.42Å; F124-N127 PolarHBondContact O-N 3.11Å; L125-N127 PolarHBondContact O-N 2.79Å; N127-K131 VanDerWaalsContact O-CG 3.27Å; N127-K131 WeakPolarHBondContact O-CG 3.2Å; N127-K131 PolarHBondContact O-N 2.57Å |
| 128 | E | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 176.2 | -69.8 | -59.4 | 113.3 | 0 | 0 | 111.7 | R58 L107 F124 L125 K126 D130 K131 Y132 | R58-E128 IonicContact CZ-OE2 3.48Å; R58-E128 IonicContact NH1-OE2 3.73Å; R58-E128 PolarHBondContact NH1-OE2 3.43Å; R58-E128 IonicContact NH2-OE2 3.22Å; R58-E128 PolarHBondContact NH2-OE2 2.84Å; L107-E128 HydrophobicContact CD1-CB 3.92Å; L107-E128 HydrophobicContact CD2-CB 3.83Å; L107-E128 HydrophobicContact CD2-CG 4.1Å; L107-E128 HydrophobicContact CG-CB 4.49Å; F124-E128 HydrophobicContact CD2-CG 3.94Å; F124-E128 HydrophobicContact CE1-CG 4.31Å; F124-E128 HydrophobicContact CE2-CG 3.58Å; F124-E128 HydrophobicContact CG-CG 4.48Å; F124-E128 HydrophobicContact CZ-CG 3.79Å; F124-E128 WeakPolarHBondContact O-CG 3.47Å; F124-E128 PolarHBondContact O-N 2.8Å; L125-E128 PolarHBondContact O-N 2.98Å; K126-E128 VanDerWaalsContact C-N 3.35Å; K126-E128 PolarHBondContact O-N 2.99Å; E128-D130 VanDerWaalsContact C-N 3.33Å; E128-D130 PolarHBondContact O-N 3.11Å; E128-K131 WeakPolarHBondContact O-CB 3.36Å; E128-K131 PolarHBondContact O-N 2.91Å; E128-K131 VanDerWaalsContact O-N 3.08Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.29Å; E128-Y132 PolarHBondContact O-N 3.17Å |
| 129 | L | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 177.7 | -66.5 | 168.5 | 0 | 0 | 0 | 112.4 | I104 L107 L125 K126 K131 Y132 F133 W137 V139 V169 | I104-L129 HydrophobicContact CD1-CD2 4.28Å; I104-L129 HydrophobicContact CG1-CD2 3.6Å; L107-L129 HydrophobicContact CD1-CD2 3.86Å; L107-L129 HydrophobicContact CD1-CG 4.29Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 2.73Å; K126-L129 PolarHBondContact O-N 3.27Å; L129-K131 PolarHBondContact O-N 3.43Å; L129-Y132 PolarHBondContact O-N 2.77Å; L129-F133 HydrophobicContact CD2-CD2 3.82Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 PolarHBondContact O-N 2.96Å; L129-W137 HydrophobicContact CB-CB 4Å; L129-W137 HydrophobicContact CB-CD2 3.73Å; L129-W137 HydrophobicContact CB-CE3 4.31Å; L129-W137 HydrophobicContact CB-CG 3.56Å; L129-W137 HydrophobicContact CD1-CD2 4.18Å; L129-W137 HydrophobicContact CD1-CE3 3.91Å; L129-W137 HydrophobicContact CD1-CG 4.45Å; L129-W137 HydrophobicContact CD1-CZ3 4.47Å; L129-W137 HydrophobicContact CG-CD2 4.42Å; L129-W137 PolarHBondContact O-NE1 3Å; L129-V139 HydrophobicContact CD1-CG2 3.81Å; L129-V169 HydrophobicContact CD1-CG1 3.49Å; L129-V169 VanDerWaalsContact CD1-CG1 3.49Å |
| 130 | D | 98 | Very high | 97.5 | Very high | 31 Ų | 31 | 55.5 Ų | 55.5 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -34.3 | 174.2 | -84.5 | -0.9 | 0 | 0 | 0 | 112.6 | K126 E128 G134 K135 L136 W137 | K126-D130 IonicContact NZ-OD2 3.65Å; K126-D130 PolarHBondContact NZ-OD2 2.96Å; K126-D130 WeakPolarHBondContact O-CB 3.42Å; K126-D130 PolarHBondContact O-N 3.12Å; E128-D130 VanDerWaalsContact C-N 3.33Å; E128-D130 PolarHBondContact O-N 3.11Å; D130-G134 WeakPolarHBondContact CA-O 3.31Å; D130-G134 CarbonylContact O-C 3.54Å; D130-G134 VanDerWaalsContact O-C 3.26Å; D130-G134 VanDerWaalsContact O-CA 3.31Å; D130-G134 WeakPolarHBondContact O-CA 2.99Å; D130-G134 PolarHBondContact O-N 3.21Å; D130-K135 WeakPolarHBondContact OD1-CA 3.38Å; D130-L136 PolarHBondContact OD1-N 3.05Å; D130-L136 VanDerWaalsContact OD1-N 3.11Å; D130-W137 VanDerWaalsContact OD1-CD1 3.32Å; D130-W137 PolarHBondContact OD1-N 3.01Å; D130-W137 VanDerWaalsContact OD1-N 3.12Å |
| 131 | K | 95.1 | Very high | 97.5 | Very high | 152 Ų | 152 | 51.6 Ų | 51.6 | 66% | 0.661 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -73.4 | -46.5 | 175.7 | -69.4 | 168.7 | -168.9 | 171.5 | 0 | 111.9 | N127 E128 L129 | N127-K131 VanDerWaalsContact O-CG 3.27Å; N127-K131 WeakPolarHBondContact O-CG 3.2Å; N127-K131 PolarHBondContact O-N 2.57Å; E128-K131 WeakPolarHBondContact O-CB 3.36Å; E128-K131 PolarHBondContact O-N 2.91Å; E128-K131 VanDerWaalsContact O-N 3.08Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 2.87Å; L129-K131 PolarHBondContact O-N 3.43Å |
| 132 | Y | 92.9 | Very high | 97.5 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -76.6 | -38.7 | -174.4 | -82 | -75 | 0 | 0 | 0 | 113.5 | R58 L107 E128 L129 | R58-Y132 PolarHBondContact NH1-OH 3.45Å; L107-Y132 HydrophobicContact CD1-CD2 4.49Å; L107-Y132 HydrophobicContact CD2-CE2 4.27Å; E128-Y132 VanDerWaalsContact O-CD2 3.23Å; E128-Y132 WeakPolarHBondContact O-CD2 3.29Å; E128-Y132 PolarHBondContact O-N 3.17Å; L129-Y132 PolarHBondContact O-N 2.77Å |
| 133 | F | 95.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -124.9 | 15.8 | -167.6 | -56.4 | -52 | 0 | 0 | 0 | 113.4 | M100 T103 L129 W137 | M100-F133 HydrophobicContact CB-CZ 4.46Å; M100-F133 HydrophobicContact CE-CD1 3.82Å; M100-F133 HydrophobicContact CE-CE1 4Å; M100-F133 HydrophobicContact CE-CG 4.12Å; M100-F133 HydrophobicContact CE-CZ 4.43Å; M100-F133 HydrophobicContact CG-CD2 4.25Å; M100-F133 HydrophobicContact CG-CE1 4.21Å; M100-F133 HydrophobicContact CG-CE2 3.74Å; M100-F133 HydrophobicContact CG-CZ 3.71Å; T103-F133 HydrophobicContact CG2-CE2 3.67Å; T103-F133 HydrophobicContact CG2-CZ 3.43Å; T103-F133 VanDerWaalsContact CG2-CZ 3.43Å; L129-F133 HydrophobicContact CD2-CD2 3.82Å; L129-F133 HydrophobicContact CD2-CE2 3.94Å; L129-F133 PolarHBondContact O-N 2.96Å; F133-W137 HydrophobicContact CB-CZ2 3.51Å; F133-W137 HydrophobicContact CD2-CH2 4.35Å; F133-W137 AromaticContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CG-CZ2 4Å |
| 134 | G | 95.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | trans | 77.7 | 166.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D130 W137 | D130-G134 WeakPolarHBondContact CA-O 3.31Å; D130-G134 CarbonylContact O-C 3.54Å; D130-G134 VanDerWaalsContact O-C 3.26Å; D130-G134 VanDerWaalsContact O-CA 3.31Å; D130-G134 WeakPolarHBondContact O-CA 2.99Å; D130-G134 PolarHBondContact O-N 3.21Å; G134-W137 PolarHBondContact O-NE1 3.28Å | ||
| 135 | K | 95.7 | Very high | 97 | Very high | 163 Ų | 163 | 64.7 Ų | 64.7 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -66.5 | 174.4 | -169.9 | -63.5 | 179.6 | -179.7 | 175.6 | 0 | 113.6 | D130 K171 | D130-K135 WeakPolarHBondContact OD1-CA 3.38Å; K135-K171 WeakPolarHBondContact O-CE 3.3Å |
| 136 | L | 96.1 | Very high | 96.8 | Very high | 63 Ų | 63 | 67.6 Ų | 67.6 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | trans | 82.4 | 28.4 | 170.9 | -50.3 | 175.6 | 0 | 0 | 0 | 114.6 | D130 K171 I172 D174 | D130-L136 PolarHBondContact OD1-N 3.05Å; D130-L136 VanDerWaalsContact OD1-N 3.11Å; L136-K171 HydrophobicContact CB-CG 4.44Å; L136-K171 WeakPolarHBondContact O-CA 3.33Å; L136-I172 HydrophobicContact CB-CD1 4.43Å; L136-I172 HydrophobicContact CB-CG1 3.72Å; L136-I172 HydrophobicContact CD1-CG1 4.47Å; L136-I172 PolarHBondContact O-N 3.09Å; L136-I172 VanDerWaalsContact O-N 3.08Å; L136-D174 HydrophobicContact CD1-CB 3.92Å | ||
| 137 | W | 98.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 74.7 Ų | 74.7 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.6 | 171.6 | -71.7 | 86.1 | 0 | 0 | 0 | 112.8 | M96 M100 I104 L129 D130 F133 G134 Y156 V169 K171 | M96-W137 HydrophobicContact CE-CH2 3.76Å; M96-W137 HydrophobicContact CE-CZ3 3.88Å; M100-W137 HydrophobicContact SD-CH2 3.98Å; M100-W137 HydrophobicContact SD-CZ2 4.38Å; I104-W137 HydrophobicContact CD1-CH2 4.47Å; I104-W137 HydrophobicContact CD1-CZ3 4.35Å; L129-W137 HydrophobicContact CB-CB 4Å; L129-W137 HydrophobicContact CB-CD2 3.73Å; L129-W137 HydrophobicContact CB-CE3 4.31Å; L129-W137 HydrophobicContact CB-CG 3.56Å; L129-W137 HydrophobicContact CD1-CD2 4.18Å; L129-W137 HydrophobicContact CD1-CE3 3.91Å; L129-W137 HydrophobicContact CD1-CG 4.45Å; L129-W137 HydrophobicContact CD1-CZ3 4.47Å; L129-W137 HydrophobicContact CG-CD2 4.42Å; L129-W137 PolarHBondContact O-NE1 3Å; D130-W137 VanDerWaalsContact OD1-CD1 3.32Å; D130-W137 PolarHBondContact OD1-N 3.01Å; D130-W137 VanDerWaalsContact OD1-N 3.12Å; F133-W137 HydrophobicContact CB-CZ2 3.51Å; F133-W137 HydrophobicContact CD2-CH2 4.35Å; F133-W137 AromaticContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CD2-CZ2 3.79Å; F133-W137 HydrophobicContact CG-CZ2 4Å; G134-W137 PolarHBondContact O-NE1 3.28Å; W137-Y156 AromaticContact CH2-CD1 3.73Å; W137-Y156 HydrophobicContact CH2-CD1 3.73Å; W137-Y156 AromaticContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CE1 4.16Å; W137-V169 HydrophobicContact CE3-CG1 3.86Å; W137-V169 HydrophobicContact CZ3-CG1 3.85Å; W137-K171 HydrophobicContact CD2-CB 4.05Å; W137-K171 HydrophobicContact CD2-CG 4.43Å; W137-K171 HydrophobicContact CE3-CB 4.22Å; W137-K171 HydrophobicContact CZ2-CB 4.33Å; W137-K171 HydrophobicContact CZ2-CD 4.41Å; W137-K171 HydrophobicContact CZ3-CB 4.44Å |
| 138 | N | 98.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 74.1 Ų | 74.1 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.2 | 169.5 | -69.2 | -92.6 | 0 | 0 | 0 | 108.3 | V169 Y170 I172 | N138-V169 WeakPolarHBondContact O-CA 3.5Å; N138-Y170 HydrophobicContact CB-CD1 4.1Å; N138-Y170 HydrophobicContact CB-CD2 4.32Å; N138-Y170 HydrophobicContact CB-CE1 3.64Å; N138-Y170 HydrophobicContact CB-CE2 3.9Å; N138-Y170 HydrophobicContact CB-CG 4.41Å; N138-Y170 PolarHBondContact N-O 3.49Å; N138-Y170 PolarHBondContact O-N 3.41Å; N138-I172 WeakPolarHBondContact ND2-CG2 3.13Å |
| 139 | V | 98.7 | Very high | 96 | Very high | 22 Ų | 22 | 85.2 Ų | 85.2 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | A122 L125 K126 L129 I141 V169 | A122-V139 HydrophobicContact CB-CG1 4.22Å; L125-V139 HydrophobicContact CB-CG1 4.03Å; L125-V139 HydrophobicContact CB-CG2 4.07Å; L125-V139 HydrophobicContact CD1-CG1 3.95Å; K126-V139 HydrophobicContact CB-CG2 4.04Å; L129-V139 HydrophobicContact CD1-CG2 3.81Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; V139-V169 HydrophobicContact CG1-CG2 4.43Å; V139-V169 HydrophobicContact CG2-CG1 4.37Å |
| 140 | I | 98.4 | Very high | 95.7 | Very high | 69 Ų | 69 | 87.7 Ų | 87.7 | 35% | 0.354 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.5 | 179 | -52.1 | 175.7 | 0 | 0 | 0 | 107.9 | I142 L168 Y170 | I140-I142 HydrophobicContact CG2-CD1 4.02Å; I140-I142 HydrophobicContact CG2-CG1 3.88Å; I140-L168 HydrophobicContact CB-CB 4.25Å; I140-L168 HydrophobicContact CD1-CD2 4.2Å; I140-L168 PolarHBondContact N-O 3.1Å; I140-L168 PolarHBondContact O-N 3.49Å; I140-Y170 HydrophobicContact CD1-CE1 4.18Å |
| 141 | I | 98.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 91.2 Ų | 91.2 | 16% | 0.164 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 127 | 178.1 | -53.6 | -179.9 | 0 | 0 | 0 | 107.8 | D118 L121 A122 V139 R165 F167 | D118-I141 HydrophobicContact CB-CD1 4.24Å; D118-I141 HydrophobicContact CB-CG2 4.42Å; L121-I141 HydrophobicContact CB-CD1 4.18Å; L121-I141 HydrophobicContact CD2-CD1 3.86Å; L121-I141 HydrophobicContact CG-CD1 3.92Å; A122-I141 HydrophobicContact CB-CD1 4.01Å; A122-I141 HydrophobicContact CB-CG1 4.35Å; V139-I141 HydrophobicContact CG1-CG1 4.45Å; I141-R165 HydrophobicContact CG2-CB 4.14Å; I141-R165 HydrophobicContact CG2-CG 4.13Å; I141-F167 HydrophobicContact CD1-CD1 4.41Å; I141-F167 HydrophobicContact CD1-CE1 3.83Å; I141-F167 HydrophobicContact CG1-CD1 3.93Å; I141-F167 HydrophobicContact CG1-CE1 3.82Å; I141-F167 HydrophobicContact CG2-CE1 4.33Å |
| 142 | I | 98.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 86.4 Ų | 86.4 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.1 | -171.9 | -60.2 | 156.9 | 0 | 0 | 0 | 109.8 | I140 Y146 I166 | I140-I142 HydrophobicContact CG2-CD1 4.02Å; I140-I142 HydrophobicContact CG2-CG1 3.88Å; I142-Y146 HydrophobicContact CD1-CD1 4.15Å; I142-Y146 HydrophobicContact CD1-CD2 4Å; I142-Y146 HydrophobicContact CD1-CG 3.76Å; I142-I166 HydrophobicContact CB-CB 4.11Å; I142-I166 HydrophobicContact CD1-CG2 4.44Å; I142-I166 HydrophobicContact CG2-CD1 4.49Å; I142-I166 PolarHBondContact N-O 2.93Å; I142-I166 PolarHBondContact O-N 3.26Å |
| 143 | Y | 97 | Very high | 95.6 | Very high | 135 Ų | 135 | 84.7 Ų | 84.7 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -103.6 | 119.4 | 165.1 | -66.5 | -85.6 | 0 | 0 | 0 | 109.7 | D118 R165 | D118-Y143 PolarHBondContact OD1-OH 2.93Å; D118-Y143 WeakPolarHBondContact OD2-CE2 3.4Å; D118-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D118-Y143 PolarHBondContact OD2-OH 3.41Å; Y143-R165 HydrophobicContact CD1-CG 4.43Å; Y143-R165 HydrophobicContact CE1-CG 3.68Å; Y143-R165 PolarHBondContact OH-NE 2.9Å; Y143-R165 PolarHBondContact OH-NH2 2.99Å |
| 144 | G | 94.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 88.3 Ų | 88.3 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 103 | -125.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I166 | G144-I166 WeakPolarHBondContact O-CD1 3.46Š|
| 145 | R | 94.1 | Very high | 95.8 | Very high | 217 Ų | 217 | 87.7 Ų | 87.7 | 82% | 0.819 | 42% | 0.421 | S | S | * | . | trans | -119.5 | 150 | -172.7 | -63.5 | 179.5 | -177.7 | 168.3 | 1 | 110.7 | W147 | R145-W147 HydrophobicContact CB-CH2 4.26Å; R145-W147 HydrophobicContact CB-CZ3 4.25Å | ||
| 146 | Y | 94.5 | Very high | 95.9 | Very high | 63 Ų | 63 | 82.8 Ų | 82.8 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | trans | -145.6 | 159.6 | 177.6 | 74.2 | -68.4 | 0 | 0 | 0 | 110.5 | I142 C159 I166 | I142-Y146 HydrophobicContact CD1-CD1 4.15Å; I142-Y146 HydrophobicContact CD1-CD2 4Å; I142-Y146 HydrophobicContact CD1-CG 3.76Å; Y146-C159 PolarHBondContact OH-SG 2.89Å; Y146-I166 HydrophobicContact CD1-CD1 3.83Å; Y146-I166 HydrophobicContact CD1-CG2 4.23Å; Y146-I166 HydrophobicContact CE1-CD1 3.92Å; Y146-I166 HydrophobicContact CE1-CG2 3.72Å | ||
| 147 | W | 95.6 | Very high | 96 | Very high | 225 Ų | 225 | 79.9 Ų | 79.9 | 85% | 0.852 | 38% | 0.383 | S | S | * | . | trans | -130.7 | 136 | 168 | -67.9 | -98.5 | 0 | 0 | 0 | 107 | R145 | R145-W147 HydrophobicContact CB-CH2 4.26Å; R145-W147 HydrophobicContact CB-CZ3 4.25Å | ||
| 148 | S | 91.4 | Very high | 96 | Very high | 50 Ų | 50 | 79.5 Ų | 79.5 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | trans | -145.3 | 152.8 | -178.2 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 149 | R | 91.1 | Very high | 96 | Very high | 251 Ų | 251 | 77 Ų | 77 | 95% | 0.947 | 37% | 0.368 | S | S | * | . | trans | -132.8 | 119.6 | 161 | -71.6 | -65.2 | -162.3 | -133.6 | 3.6 | 105.3 | ||||
| 150 | Y | 92.5 | Very high | 96 | Very high | 54 Ų | 54 | 76 Ų | 76 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | trans | -144.1 | 161.1 | -179 | 61.4 | -83.1 | 0 | 0 | 0 | 109.3 | H152 N157 L168 Y170 | Y150-H152 HydrophobicContact CD2-CB 4.47Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CE2-ND1 3.71Å; Y150-N157 WeakPolarHBondContact CE2-OD1 3.48Å; Y150-N157 PolarHBondContact OH-ND2 2.88Å; Y150-N157 PolarHBondContact OH-OD1 3.43Å; Y150-N157 VanDerWaalsContact OH-OD1 3.05Å; Y150-L168 HydrophobicContact CD1-CD2 4.31Å; Y150-L168 HydrophobicContact CE1-CD1 3.97Å; Y150-L168 HydrophobicContact CE1-CD2 4.12Å; Y150-L168 HydrophobicContact CE2-CD1 4.14Å; Y150-L168 WeakPolarHBondContact OH-CD1 3.45Å; Y150-Y170 HydrophobicContact CD2-CD1 4.32Å; Y150-Y170 HydrophobicContact CD2-CD2 4.1Å; Y150-Y170 HydrophobicContact CD2-CE1 4.41Å; Y150-Y170 HydrophobicContact CD2-CE2 4.18Å; Y150-Y170 HydrophobicContact CD2-CG 4.17Å; Y150-Y170 HydrophobicContact CE2-CD1 4.36Å; Y150-Y170 HydrophobicContact CE2-CG 4.22Å | ||
| 151 | C | 93.2 | Very high | 96 | Very high | 104 Ų | 104 | 75.7 Ų | 75.7 | 70% | 0.703 | 36% | 0.361 | S | S | * | . | trans | -110.6 | 148.5 | 172.2 | -62.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 152 | H | 95.4 | Very high | 95.9 | Very high | 51 Ų | 51 | 74.5 Ų | 74.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | trans | -146 | 158.5 | 179.9 | 61.4 | -91.7 | 0 | 0 | 0 | 110 | D95 Y150 N157 Y170 K171 | D95-H152 IonicContact OD1-NE2 3.41Å; D95-H152 IonicContact OD2-CD2 3.97Å; D95-H152 PolarHBondContact OD2-CD2 3.29Å; D95-H152 IonicContact OD2-NE2 2.93Å; D95-H152 PolarHBondContact OD2-NE2 2.97Å; Y150-H152 HydrophobicContact CD2-CB 4.47Å; Y150-H152 HydrophobicContact CE2-CB 4.45Å; Y150-H152 AromaticContact CE2-ND1 3.71Å; H152-N157 HydrophobicContact CB-CB 4.22Å; H152-N157 WeakPolarHBondContact CD2-CB 3.45Å; H152-N157 WeakPolarHBondContact NE2-CB 3.31Å; H152-Y170 HydrophobicContact CB-CD2 3.99Å; H152-Y170 HydrophobicContact CB-CG 4.4Å; H152-K171 CarbonylContact C-O 3.46Å; H152-K171 VanDerWaalsContact CA-O 3.28Å; H152-K171 WeakPolarHBondContact CA-O 3.48Å; H152-K171 WeakPolarHBondContact CB-O 3.49Å | ||
| 153 | E | 96.5 | Very high | 95.6 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | trans | -68.9 | 131.9 | 170.7 | -172.1 | 179.3 | 146.9 | 0 | 0 | 109.9 | G155 Y156 K171 P173 | E153-G155 PolarHBondContact O-N 2.96Å; E153-Y156 HydrophobicContact CB-CD2 4.09Å; E153-Y156 HydrophobicContact CG-CD2 3.79Å; E153-Y156 HydrophobicContact CG-CE2 4.24Å; E153-Y156 WeakPolarHBondContact O-CB 3.36Å; E153-Y156 PolarHBondContact O-N 3.49Å; E153-Y156 VanDerWaalsContact OE1-CE2 3.23Å; E153-Y156 WeakPolarHBondContact OE1-CE2 3.28Å; E153-K171 HydrophobicContact CB-CB 4.48Å; E153-K171 PolarHBondContact N-O 2.83Å; E153-K171 IonicContact OE1-NZ 2.67Å; E153-K171 PolarHBondContact OE1-NZ 3.08Å; E153-K171 WeakPolarHBondContact OE2-CD 3.42Å; E153-K171 VanDerWaalsContact OE2-CE 3.29Å; E153-K171 WeakPolarHBondContact OE2-CE 3.08Å; E153-K171 IonicContact OE2-NZ 2.91Å; E153-K171 PolarHBondContact OE2-NZ 2.94Å; E153-P173 HydrophobicContact CB-CG 4.41Å | ||
| 154 | T | 96.6 | Very high | 95.4 | Very high | 126 Ų | 126 | 77.3 Ų | 77.3 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 129 | -176.7 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | Y156 | T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 WeakPolarHBondContact O-CD2 3.47Å |
| 155 | G | 97.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 76.7 Ų | 76.7 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D95 M96 E153 | D95-G155 VanDerWaalsContact CG-N 3.25Å; D95-G155 PolarHBondContact OD2-N 2.93Å; M96-G155 VanDerWaalsContact CA-O 3.3Å; M96-G155 WeakPolarHBondContact CA-O 3.48Å; E153-G155 PolarHBondContact O-N 2.96Å |
| 156 | Y | 97.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | trans | -120.7 | 22.2 | -176.5 | -67.2 | -91.2 | 0 | 0 | 0 | 113.7 | D95 M100 W137 E153 T154 Y170 K171 | D95-Y156 PolarHBondContact OD1-N 3.4Å; M100-Y156 HydrophobicContact CE-CD1 4.06Å; M100-Y156 HydrophobicContact CE-CE1 3.61Å; M100-Y156 HydrophobicContact SD-CD1 3.87Å; M100-Y156 HydrophobicContact SD-CE1 4.06Å; W137-Y156 AromaticContact CH2-CD1 3.73Å; W137-Y156 HydrophobicContact CH2-CD1 3.73Å; W137-Y156 AromaticContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CD1 3.57Å; W137-Y156 HydrophobicContact CZ2-CE1 4.16Å; E153-Y156 HydrophobicContact CB-CD2 4.09Å; E153-Y156 HydrophobicContact CG-CD2 3.79Å; E153-Y156 HydrophobicContact CG-CE2 4.24Å; E153-Y156 WeakPolarHBondContact O-CB 3.36Å; E153-Y156 PolarHBondContact O-N 3.49Å; E153-Y156 VanDerWaalsContact OE1-CE2 3.23Å; E153-Y156 WeakPolarHBondContact OE1-CE2 3.28Å; T154-Y156 VanDerWaalsContact C-N 3.35Å; T154-Y156 WeakPolarHBondContact O-CD2 3.47Å; Y156-Y170 WeakPolarHBondContact O-CA 3.48Å; Y156-K171 HydrophobicContact CD1-CB 4.26Å; Y156-K171 HydrophobicContact CD1-CD 3.93Å; Y156-K171 HydrophobicContact CE1-CD 4.22Å; Y156-K171 HydrophobicContact CG-CB 4.06Å; Y156-K171 HydrophobicContact CG-CD 4.15Å; Y156-K171 PolarHBondContact O-N 3.48Å; Y156-K171 VanDerWaalsContact O-N 3.17Å | ||
| 157 | N | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.4 | 173.9 | 176.4 | 47.1 | 0 | 0 | 0 | 112.6 | T94 D95 M96 Y150 H152 | T94-N157 VanDerWaalsContact CA-O 3.23Å; T94-N157 WeakPolarHBondContact CA-O 3.19Å; T94-N157 WeakPolarHBondContact CB-O 3.31Å; T94-N157 PolarHBondContact OG1-O 3.46Å; D95-N157 PolarHBondContact N-O 3.32Å; D95-N157 WeakPolarHBondContact OD1-CA 2.94Å; D95-N157 WeakPolarHBondContact OD1-CB 3.46Å; D95-N157 PolarHBondContact OD1-N 2.88Å; M96-N157 WeakPolarHBondContact CB-O 3.41Å; Y150-N157 WeakPolarHBondContact CE2-OD1 3.48Å; Y150-N157 PolarHBondContact OH-ND2 2.88Å; Y150-N157 PolarHBondContact OH-OD1 3.43Å; Y150-N157 VanDerWaalsContact OH-OD1 3.05Å; H152-N157 HydrophobicContact CB-CB 4.22Å; H152-N157 WeakPolarHBondContact CD2-CB 3.45Å; H152-N157 WeakPolarHBondContact NE2-CB 3.31Å |
| 158 | F | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 108.3 | 176 | -171.8 | -153.8 | 0 | 0 | 0 | 111.6 | V89 V91 M96 K101 I104 F160 V169 | V89-F158 HydrophobicContact CG1-CZ 4.03Å; V91-F158 HydrophobicContact CG1-CE2 4.29Å; V91-F158 HydrophobicContact CG2-CE2 4.02Å; M96-F158 HydrophobicContact CE-CB 3.73Å; M96-F158 HydrophobicContact SD-CB 3.84Å; M96-F158 HydrophobicContact SD-CD1 4.31Å; M96-F158 HydrophobicContact SD-CG 4.33Å; K101-F158 HydrophobicContact CB-CD1 4.23Å; K101-F158 HydrophobicContact CB-CE1 3.73Å; K101-F158 HydrophobicContact CB-CZ 3.88Å; K101-F158 HydrophobicContact CD-CD2 4.33Å; K101-F158 HydrophobicContact CD-CE2 4Å; K101-F158 HydrophobicContact CD-CZ 4.16Å; K101-F158 HydrophobicContact CG-CD1 3.94Å; K101-F158 HydrophobicContact CG-CD2 4.08Å; K101-F158 HydrophobicContact CG-CE1 3.82Å; K101-F158 HydrophobicContact CG-CE2 3.96Å; K101-F158 HydrophobicContact CG-CG 4.07Å; K101-F158 HydrophobicContact CG-CZ 3.83Å; I104-F158 HydrophobicContact CB-CD1 4.29Å; I104-F158 HydrophobicContact CD1-CD1 4.05Å; I104-F158 HydrophobicContact CG2-CD1 4.09Å; I104-F158 HydrophobicContact CG2-CE1 4.37Å; F158-F160 AromaticContact CD1-CD1 3.53Å; F158-F160 HydrophobicContact CD1-CD1 3.53Å; F158-F160 AromaticContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CZ 4.15Å; F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 AromaticContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CE1 4.18Å; F158-F160 HydrophobicContact CD2-CG 4.31Å; F158-F160 AromaticContact CE1-CD1 3.45Å; F158-F160 HydrophobicContact CE1-CD1 3.45Å; F158-F160 VanDerWaalsContact CE1-CD1 3.45Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE2 4.45Å; F158-F160 HydrophobicContact CE1-CG 4.1Å; F158-F160 AromaticContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F158-F160 AromaticContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CD1 3.47Å; F158-F160 VanDerWaalsContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CE1 4.21Å; F158-F160 AromaticContact CE2-CG 3.82Å; F158-F160 HydrophobicContact CE2-CG 3.82Å; F158-F160 AromaticContact CG-CD1 3.58Å; F158-F160 HydrophobicContact CG-CD1 3.58Å; F158-F160 AromaticContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CZ-CB 4.14Å; F158-F160 AromaticContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD1 3.42Å; F158-F160 VanDerWaalsContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD2 4.33Å; F158-F160 AromaticContact CZ-CE1 3.8Å; F158-F160 HydrophobicContact CZ-CE1 3.8Å; F158-F160 AromaticContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CZ 4.35Å; F158-V169 PolarHBondContact N-O 3.5Å; F158-V169 PolarHBondContact O-N 3.03Å |
| 159 | C | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.9 | 174.5 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | I92 Q93 Y146 F167 L168 | I92-C159 HydrophobicContact CB-CB 4.46Å; I92-C159 PolarHBondContact N-O 2.84Å; Q93-C159 HydrophobicContact CB-CB 4.39Å; Q93-C159 PolarHBondContact N-O 2.8Å; Q93-C159 WeakPolarHBondContact O-CA 3.44Å; Q93-C159 PolarHBondContact O-N 3.05Å; Y146-C159 PolarHBondContact OH-SG 2.89Å; C159-F167 VanDerWaalsContact CA-O 3.27Å; C159-F167 WeakPolarHBondContact CA-O 3.28Å; C159-F167 PolarHBondContact SG-O 3Å; C159-L168 HydrophobicContact CB-CD1 3.76Å |
| 160 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 166.9 | -171.1 | 60.9 | -80.8 | 0 | 0 | 0 | 112.1 | V89 H90 I104 I108 F158 K162 I166 F167 V169 | V89-F160 HydrophobicContact CG1-CB 3.78Å; V89-F160 HydrophobicContact CG1-CD2 3.58Å; V89-F160 HydrophobicContact CG1-CE2 4.4Å; V89-F160 HydrophobicContact CG1-CG 3.87Å; H90-F160 CarbonylContact O-C 3.26Å; H90-F160 WeakPolarHBondContact O-CA 3.23Å; H90-F160 WeakPolarHBondContact O-CB 3.42Å; I104-F160 HydrophobicContact CG2-CE1 4.34Å; I104-F160 HydrophobicContact CG2-CZ 4.18Å; I108-F160 HydrophobicContact CD1-CE2 3.89Å; I108-F160 HydrophobicContact CD1-CZ 3.4Å; F158-F160 AromaticContact CD1-CD1 3.53Å; F158-F160 HydrophobicContact CD1-CD1 3.53Å; F158-F160 AromaticContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CE1 3.28Å; F158-F160 HydrophobicContact CD1-CZ 4.15Å; F158-F160 HydrophobicContact CD2-CB 4.42Å; F158-F160 AromaticContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CD1 3.54Å; F158-F160 HydrophobicContact CD2-CE1 4.18Å; F158-F160 HydrophobicContact CD2-CG 4.31Å; F158-F160 AromaticContact CE1-CD1 3.45Å; F158-F160 HydrophobicContact CE1-CD1 3.45Å; F158-F160 VanDerWaalsContact CE1-CD1 3.45Å; F158-F160 AromaticContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE1 3.31Å; F158-F160 HydrophobicContact CE1-CE2 4.45Å; F158-F160 HydrophobicContact CE1-CG 4.1Å; F158-F160 AromaticContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE1-CZ 3.83Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F158-F160 AromaticContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CD1 3.47Å; F158-F160 VanDerWaalsContact CE2-CD1 3.47Å; F158-F160 HydrophobicContact CE2-CE1 4.21Å; F158-F160 AromaticContact CE2-CG 3.82Å; F158-F160 HydrophobicContact CE2-CG 3.82Å; F158-F160 AromaticContact CG-CD1 3.58Å; F158-F160 HydrophobicContact CG-CD1 3.58Å; F158-F160 AromaticContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CG-CE1 3.74Å; F158-F160 HydrophobicContact CZ-CB 4.14Å; F158-F160 AromaticContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD1 3.42Å; F158-F160 VanDerWaalsContact CZ-CD1 3.42Å; F158-F160 HydrophobicContact CZ-CD2 4.33Å; F158-F160 AromaticContact CZ-CE1 3.8Å; F158-F160 HydrophobicContact CZ-CE1 3.8Å; F158-F160 AromaticContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CG 3.71Å; F158-F160 HydrophobicContact CZ-CZ 4.35Å; F160-K162 HydrophobicContact CD2-CB 4.12Å; F160-K162 HydrophobicContact CE2-CB 4.05Å; F160-I166 WeakPolarHBondContact O-CA 3.27Å; F160-F167 HydrophobicContact CD1-CB 4.17Å; F160-F167 HydrophobicContact CD2-CB 4.33Å; F160-F167 HydrophobicContact CD2-CD2 4.31Å; F160-F167 HydrophobicContact CE1-CB 3.68Å; F160-F167 HydrophobicContact CE2-CB 3.89Å; F160-F167 AromaticContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CG 4.01Å; F160-F167 HydrophobicContact CG-CB 4.48Å; F160-F167 HydrophobicContact CZ-CB 3.55Å; F160-F167 HydrophobicContact CZ-CD2 4.17Å; F160-F167 AromaticContact CZ-CG 3.93Å; F160-F167 HydrophobicContact CZ-CG 3.93Å; F160-F167 PolarHBondContact N-O 3.48Å; F160-F167 PolarHBondContact O-N 3.03Å; F160-V169 HydrophobicContact CE1-CG2 4.35Å |
| 161 | I | 98.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 39.4 Ų | 39.4 | 33% | 0.328 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133 | 173 | -49.9 | -176.7 | 0 | 0 | 0 | 108.9 | H90 I92 R165 I166 | H90-I161 HydrophobicContact CB-CB 4.21Å; H90-I161 PolarHBondContact N-O 3.44Å; H90-I161 PolarHBondContact O-N 3.49Å; I92-I161 HydrophobicContact CD1-CD1 4.24Å; I92-I161 HydrophobicContact CD1-CG1 3.74Å; I92-I161 HydrophobicContact CG1-CG1 4.12Å; I161-R165 VanDerWaalsContact CA-O 3.28Å; I161-R165 WeakPolarHBondContact CA-O 3.21Å; I161-I166 HydrophobicContact CD1-CG1 4.37Å; I161-I166 HydrophobicContact CG1-CG1 4.02Å |
| 162 | K | 96.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 136.6 | 172.5 | -168.1 | -165.8 | -172.8 | -57.2 | 0 | 109.4 | D88 V89 I108 D109 F160 D164 R165 F167 | D88-K162 WeakPolarHBondContact OD2-CE 3.43Å; D88-K162 IonicContact OD2-NZ 2.85Å; D88-K162 PolarHBondContact OD2-NZ 2.97Å; V89-K162 HydrophobicContact CG2-CD 4.44Å; V89-K162 HydrophobicContact CG2-CG 4.39Å; I108-K162 HydrophobicContact CG2-CD 3.95Å; D109-K162 WeakPolarHBondContact OD1-CE 3.31Å; D109-K162 IonicContact OD1-NZ 2.93Å; D109-K162 PolarHBondContact OD1-NZ 3.4Å; F160-K162 HydrophobicContact CD2-CB 4.12Å; F160-K162 HydrophobicContact CE2-CB 4.05Å; K162-D164 VanDerWaalsContact C-N 3.33Å; K162-D164 PolarHBondContact O-N 3.38Å; K162-R165 PolarHBondContact N-O 3.03Å; K162-R165 WeakPolarHBondContact O-CB 3.49Å; K162-R165 PolarHBondContact O-N 2.88Å; K162-F167 HydrophobicContact CB-CD2 4.27Å; K162-F167 HydrophobicContact CB-CE2 4.08Å |
| 163 | D | 92.4 | Very high | 97.1 | Very high | 76 Ų | 76 | 38 Ų | 38 | 41% | 0.406 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 51.1 | 177.1 | -50.7 | -39.5 | 0 | 0 | 0 | 113.5 | R165 | D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 PolarHBondContact O-NH1 3.08Å |
| 164 | D | 93.1 | Very high | 96.7 | Very high | 150 Ų | 150 | 41.3 Ų | 41.3 | 80% | 0.802 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 8.4 | -178.8 | -57.5 | -41.9 | 0 | 0 | 0 | 116.7 | K162 | K162-D164 VanDerWaalsContact C-N 3.33Å; K162-D164 PolarHBondContact O-N 3.38Å |
| 165 | R | 97 | Very high | 95.8 | Very high | 40 Ų | 40 | 42.9 Ų | 42.9 | 15% | 0.151 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.4 | 177.5 | -62.7 | 167.4 | -176.8 | 86.9 | -5.6 | 110.5 | D118 I141 Y143 I161 K162 D163 F167 | D118-R165 IonicContact OD1-CZ 3.29Å; D118-R165 IonicContact OD1-NE 3.4Å; D118-R165 PolarHBondContact OD1-NE 2.83Å; D118-R165 IonicContact OD1-NH2 3.49Å; D118-R165 PolarHBondContact OD1-NH2 3.41Å; D118-R165 IonicContact OD2-NE 3.22Å; I141-R165 HydrophobicContact CG2-CB 4.14Å; I141-R165 HydrophobicContact CG2-CG 4.13Å; Y143-R165 HydrophobicContact CD1-CG 4.43Å; Y143-R165 HydrophobicContact CE1-CG 3.68Å; Y143-R165 PolarHBondContact OH-NE 2.9Å; Y143-R165 PolarHBondContact OH-NH2 2.99Å; I161-R165 VanDerWaalsContact CA-O 3.28Å; I161-R165 WeakPolarHBondContact CA-O 3.21Å; K162-R165 PolarHBondContact N-O 3.03Å; K162-R165 WeakPolarHBondContact O-CB 3.49Å; K162-R165 PolarHBondContact O-N 2.88Å; D163-R165 PolarHBondContact O-N 3.22Å; D163-R165 VanDerWaalsContact O-N 3.1Å; D163-R165 PolarHBondContact O-NH1 3.08Å; R165-F167 HydrophobicContact CB-CD2 4.11Å; R165-F167 HydrophobicContact CB-CE2 3.56Å; R165-F167 HydrophobicContact CB-CZ 3.99Å; R165-F167 HydrophobicContact CG-CE2 4.46Å |
| 166 | I | 98.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.7 | 161.8 | -62.7 | 161.5 | 0 | 0 | 0 | 107.4 | I92 I142 G144 Y146 F160 I161 | I92-I166 HydrophobicContact CD1-CG1 4.44Å; I92-I166 HydrophobicContact CD1-CG2 4Å; I142-I166 HydrophobicContact CB-CB 4.11Å; I142-I166 HydrophobicContact CD1-CG2 4.44Å; I142-I166 HydrophobicContact CG2-CD1 4.49Å; I142-I166 PolarHBondContact N-O 2.93Å; I142-I166 PolarHBondContact O-N 3.26Å; G144-I166 WeakPolarHBondContact O-CD1 3.46Å; Y146-I166 HydrophobicContact CD1-CD1 3.83Å; Y146-I166 HydrophobicContact CD1-CG2 4.23Å; Y146-I166 HydrophobicContact CE1-CD1 3.92Å; Y146-I166 HydrophobicContact CE1-CG2 3.72Å; F160-I166 WeakPolarHBondContact O-CA 3.27Å; I161-I166 HydrophobicContact CD1-CG1 4.37Å; I161-I166 HydrophobicContact CG1-CG1 4.02Å |
| 167 | F | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.3 | 170.7 | -68.2 | -90 | 0 | 0 | 0 | 109 | I108 L125 I141 C159 F160 K162 R165 V169 | I108-F167 HydrophobicContact CD1-CD1 3.88Å; I108-F167 HydrophobicContact CD1-CD2 4.42Å; I108-F167 HydrophobicContact CD1-CE1 4Å; I108-F167 HydrophobicContact CD1-CG 4.1Å; I108-F167 HydrophobicContact CD1-CZ 4.32Å; I108-F167 HydrophobicContact CG1-CE1 4.23Å; I108-F167 HydrophobicContact CG2-CE1 4.24Å; I108-F167 HydrophobicContact CG2-CE2 4.25Å; I108-F167 HydrophobicContact CG2-CZ 3.78Å; L125-F167 HydrophobicContact CD1-CE1 4.25Å; I141-F167 HydrophobicContact CD1-CD1 4.41Å; I141-F167 HydrophobicContact CD1-CE1 3.83Å; I141-F167 HydrophobicContact CG1-CD1 3.93Å; I141-F167 HydrophobicContact CG1-CE1 3.82Å; I141-F167 HydrophobicContact CG2-CE1 4.33Å; C159-F167 VanDerWaalsContact CA-O 3.27Å; C159-F167 WeakPolarHBondContact CA-O 3.28Å; C159-F167 PolarHBondContact SG-O 3Å; F160-F167 HydrophobicContact CD1-CB 4.17Å; F160-F167 HydrophobicContact CD2-CB 4.33Å; F160-F167 HydrophobicContact CD2-CD2 4.31Å; F160-F167 HydrophobicContact CE1-CB 3.68Å; F160-F167 HydrophobicContact CE2-CB 3.89Å; F160-F167 AromaticContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CD2 3.76Å; F160-F167 HydrophobicContact CE2-CG 4.01Å; F160-F167 HydrophobicContact CG-CB 4.48Å; F160-F167 HydrophobicContact CZ-CB 3.55Å; F160-F167 HydrophobicContact CZ-CD2 4.17Å; F160-F167 AromaticContact CZ-CG 3.93Å; F160-F167 HydrophobicContact CZ-CG 3.93Å; F160-F167 PolarHBondContact N-O 3.48Å; F160-F167 PolarHBondContact O-N 3.03Å; K162-F167 HydrophobicContact CB-CD2 4.27Å; K162-F167 HydrophobicContact CB-CE2 4.08Å; R165-F167 HydrophobicContact CB-CD2 4.11Å; R165-F167 HydrophobicContact CB-CE2 3.56Å; R165-F167 HydrophobicContact CB-CZ 3.99Å; R165-F167 HydrophobicContact CG-CE2 4.46Å; F167-V169 HydrophobicContact CB-CG2 4.29Å |
| 168 | L | 98.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 102.7 | 167 | 175.7 | 61.6 | 0 | 0 | 0 | 107.6 | I140 Y150 C159 Y170 | I140-L168 HydrophobicContact CB-CB 4.25Å; I140-L168 HydrophobicContact CD1-CD2 4.2Å; I140-L168 PolarHBondContact N-O 3.1Å; I140-L168 PolarHBondContact O-N 3.49Å; Y150-L168 HydrophobicContact CD1-CD2 4.31Å; Y150-L168 HydrophobicContact CE1-CD1 3.97Å; Y150-L168 HydrophobicContact CE1-CD2 4.12Å; Y150-L168 HydrophobicContact CE2-CD1 4.14Å; Y150-L168 WeakPolarHBondContact OH-CD1 3.45Å; C159-L168 HydrophobicContact CB-CD1 3.76Å; L168-Y170 HydrophobicContact CD1-CD1 4.09Å; L168-Y170 HydrophobicContact CD2-CD1 4.46Å; L168-Y170 HydrophobicContact CD2-CE1 4.14Å; L168-Y170 HydrophobicContact CG-CD1 3.83Å; L168-Y170 HydrophobicContact CG-CE1 3.94Å |
| 169 | V | 98.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.9 | -175.1 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | I104 L129 W137 N138 V139 F158 F160 F167 | I104-V169 HydrophobicContact CD1-CG1 4.02Å; I104-V169 HydrophobicContact CG2-CG1 4.45Å; I104-V169 HydrophobicContact CG2-CG2 4.38Å; L129-V169 HydrophobicContact CD1-CG1 3.49Å; L129-V169 VanDerWaalsContact CD1-CG1 3.49Å; W137-V169 HydrophobicContact CE3-CG1 3.86Å; W137-V169 HydrophobicContact CZ3-CG1 3.85Å; N138-V169 WeakPolarHBondContact O-CA 3.5Å; V139-V169 HydrophobicContact CG1-CG2 4.43Å; V139-V169 HydrophobicContact CG2-CG1 4.37Å; F158-V169 PolarHBondContact N-O 3.5Å; F158-V169 PolarHBondContact O-N 3.03Å; F160-V169 HydrophobicContact CE1-CG2 4.35Å; F167-V169 HydrophobicContact CB-CG2 4.29Å |
| 170 | Y | 98.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 150.5 | -179.1 | 65.5 | -79.5 | 0 | 0 | 0 | 113.1 | N138 I140 Y150 H152 Y156 L168 I172 | N138-Y170 HydrophobicContact CB-CD1 4.1Å; N138-Y170 HydrophobicContact CB-CD2 4.32Å; N138-Y170 HydrophobicContact CB-CE1 3.64Å; N138-Y170 HydrophobicContact CB-CE2 3.9Å; N138-Y170 HydrophobicContact CB-CG 4.41Å; N138-Y170 PolarHBondContact N-O 3.49Å; N138-Y170 PolarHBondContact O-N 3.41Å; I140-Y170 HydrophobicContact CD1-CE1 4.18Å; Y150-Y170 HydrophobicContact CD2-CD1 4.32Å; Y150-Y170 HydrophobicContact CD2-CD2 4.1Å; Y150-Y170 HydrophobicContact CD2-CE1 4.41Å; Y150-Y170 HydrophobicContact CD2-CE2 4.18Å; Y150-Y170 HydrophobicContact CD2-CG 4.17Å; Y150-Y170 HydrophobicContact CE2-CD1 4.36Å; Y150-Y170 HydrophobicContact CE2-CG 4.22Å; H152-Y170 HydrophobicContact CB-CD2 3.99Å; H152-Y170 HydrophobicContact CB-CG 4.4Å; Y156-Y170 WeakPolarHBondContact O-CA 3.48Å; L168-Y170 HydrophobicContact CD1-CD1 4.09Å; L168-Y170 HydrophobicContact CD2-CD1 4.46Å; L168-Y170 HydrophobicContact CD2-CE1 4.14Å; L168-Y170 HydrophobicContact CG-CD1 3.83Å; L168-Y170 HydrophobicContact CG-CE1 3.94Å; Y170-I172 HydrophobicContact CD2-CG2 4.12Å; Y170-I172 HydrophobicContact CE2-CG2 3.73Å |
| 171 | K | 98.2 | Very high | 92.9 | Very high | 26 Ų | 26 | 67.2 Ų | 67.2 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138.4 | 170.7 | -164.1 | -179.9 | 172 | -135.5 | 0 | 109.9 | K135 L136 W137 H152 E153 Y156 | K135-K171 WeakPolarHBondContact O-CE 3.3Å; L136-K171 HydrophobicContact CB-CG 4.44Å; L136-K171 WeakPolarHBondContact O-CA 3.33Å; W137-K171 HydrophobicContact CD2-CB 4.05Å; W137-K171 HydrophobicContact CD2-CG 4.43Å; W137-K171 HydrophobicContact CE3-CB 4.22Å; W137-K171 HydrophobicContact CZ2-CB 4.33Å; W137-K171 HydrophobicContact CZ2-CD 4.41Å; W137-K171 HydrophobicContact CZ3-CB 4.44Å; H152-K171 CarbonylContact C-O 3.46Å; H152-K171 VanDerWaalsContact CA-O 3.28Å; H152-K171 WeakPolarHBondContact CA-O 3.48Å; H152-K171 WeakPolarHBondContact CB-O 3.49Å; E153-K171 HydrophobicContact CB-CB 4.48Å; E153-K171 PolarHBondContact N-O 2.83Å; E153-K171 IonicContact OE1-NZ 2.67Å; E153-K171 PolarHBondContact OE1-NZ 3.08Å; E153-K171 WeakPolarHBondContact OE2-CD 3.42Å; E153-K171 VanDerWaalsContact OE2-CE 3.29Å; E153-K171 WeakPolarHBondContact OE2-CE 3.08Å; E153-K171 IonicContact OE2-NZ 2.91Å; E153-K171 PolarHBondContact OE2-NZ 2.94Å; Y156-K171 HydrophobicContact CD1-CB 4.26Å; Y156-K171 HydrophobicContact CD1-CD 3.93Å; Y156-K171 HydrophobicContact CE1-CD 4.22Å; Y156-K171 HydrophobicContact CG-CB 4.06Å; Y156-K171 HydrophobicContact CG-CD 4.15Å; Y156-K171 PolarHBondContact O-N 3.48Å; Y156-K171 VanDerWaalsContact O-N 3.17Å |
| 172 | I | 96.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 147.5 | 171.4 | 57.7 | 173.6 | 0 | 0 | 0 | 110.2 | L136 N138 Y170 D174 | L136-I172 HydrophobicContact CB-CD1 4.43Å; L136-I172 HydrophobicContact CB-CG1 3.72Å; L136-I172 HydrophobicContact CD1-CG1 4.47Å; L136-I172 PolarHBondContact O-N 3.09Å; L136-I172 VanDerWaalsContact O-N 3.08Å; N138-I172 WeakPolarHBondContact ND2-CG2 3.13Å; Y170-I172 HydrophobicContact CD2-CG2 4.12Å; Y170-I172 HydrophobicContact CE2-CG2 3.73Å; I172-D174 PolarHBondContact O-N 2.98Å |
| 173 | P | 92.7 | Very high | 92.2 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.6 | 176.4 | -20.1 | 31.8 | 0 | 0 | 0 | 111 | E153 L175 | E153-P173 HydrophobicContact CB-CG 4.41Å; P173-L175 PolarHBondContact O-N 2.87Å |
| 174 | D | 86.8 | Confident | 92.2 | Very high | 118 Ų | 118 | 71.5 Ų | 71.5 | 63% | 0.631 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 127.8 | 168.2 | -156 | -5 | 0 | 0 | 0 | 108.9 | L136 I172 E176 | L136-D174 HydrophobicContact CD1-CB 3.92Å; I172-D174 PolarHBondContact O-N 2.98Å; D174-E176 PolarHBondContact O-N 2.53Å |
| 175 | L | 77.8 | Confident | 92.1 | Very high | 160 Ų | 160 | 64.9 Ų | 64.9 | 84% | 0.838 | 33% | 0.325 | S | S | * | . | trans | -92.6 | 90.3 | 175.4 | -66.3 | 171.9 | 0 | 0 | 0 | 106.4 | P173 | P173-L175 PolarHBondContact O-N 2.87Š| ||
| 176 | E | 63.8 | Low | 91.7 | Very high | 257 Ų | 257 | 67.2 Ų | 67.2 | 100% | 1.201 | 34% | 0.341 | S | S | * | . | trans | -61.1 | 0 | 164.3 | -71.5 | -170.3 | 168.8 | 0 | 0 | 111.5 | D174 | D174-E176 PolarHBondContact O-N 2.53Š|
Retrieved 176 of 176 residues in 44.7 ms
(Link to these results)