| 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 | 61.3 | Low | 92.3 | Very high | 164 Ų | 164 | 56.7 Ų | 56.7 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | 0 | 154.1 | 0 | -164.9 | 161.5 | -82.8 | 0 | 0 | 106.6 | K5 E6 D9 | M1-K5 HydrophobicContact CG-CB 3.83Å; M1-K5 HydrophobicContact CG-CG 3.61Å; M1-K5 HydrophobicContact SD-CG 3.96Å; M1-E6 HydrophobicContact CB-CG 3.93Å; M1-E6 HydrophobicContact CG-CG 4Å; M1-E6 HydrophobicContact SD-CG 4.31Å; M1-D9 VanDerWaalsContact SD-OD2 3.39Å | |||
| 2 | S | 89.6 | Confident | 92.7 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | trans | -77.8 | 153 | 179.2 | 68.8 | 0 | 0 | 0 | 0 | 110.3 | L4 K5 E6 | S2-L4 PolarHBondContact O-N 3.48Å; S2-K5 PolarHBondContact O-N 3.28Å; S2-K5 VanDerWaalsContact OG-CB 3.3Å; S2-K5 WeakPolarHBondContact OG-CB 3.44Å; S2-K5 PolarHBondContact OG-N 3.33Å; S2-E6 WeakPolarHBondContact O-CG 3.25Å; S2-E6 PolarHBondContact O-N 2.98Å | ||
| 3 | I | 95.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.9 | -40.6 | 175.9 | -66 | 177.3 | 0 | 0 | 0 | 111.4 | Q7 E118 Q119 A122 | I3-Q7 PolarHBondContact O-N 3.22Å; I3-E118 HydrophobicContact CD1-CG 3.9Å; I3-E118 WeakPolarHBondContact CD1-OE1 3.32Å; I3-Q119 HydrophobicContact CG2-CB 4.17Å; I3-Q119 HydrophobicContact CG2-CG 3.49Å; I3-Q119 VanDerWaalsContact CG2-CG 3.49Å; I3-A122 HydrophobicContact CB-CB 4.38Å; I3-A122 HydrophobicContact CG2-CB 4.11Å |
| 4 | L | 96.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 57.6 Ų | 57.6 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 178.2 | -51.8 | -179.9 | 0 | 0 | 0 | 111.4 | S2 Q7 M8 V68 A122 W123 F126 | S2-L4 PolarHBondContact O-N 3.48Å; L4-Q7 PolarHBondContact O-N 3.25Å; L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.16Å; L4-V68 HydrophobicContact CB-CG1 3.7Å; L4-V68 HydrophobicContact CB-CG2 4.01Å; L4-V68 HydrophobicContact CD1-CG2 4.35Å; L4-A122 HydrophobicContact CD2-CB 3.88Å; L4-W123 HydrophobicContact CB-CH2 4.38Å; L4-W123 HydrophobicContact CB-CZ2 4.11Å; L4-W123 HydrophobicContact CD2-CB 4.37Å; L4-W123 HydrophobicContact CD2-CD2 3.55Å; L4-W123 HydrophobicContact CD2-CE3 4.03Å; L4-W123 HydrophobicContact CD2-CG 3.7Å; L4-W123 HydrophobicContact CD2-CZ2 4.19Å; L4-F126 HydrophobicContact CD1-CB 3.72Å; L4-F126 HydrophobicContact CD1-CD2 3.82Å; L4-F126 HydrophobicContact CD1-CG 3.95Å |
| 5 | K | 96.5 | Very high | 93.8 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | -177.5 | -176 | 54.9 | 172 | 149.9 | 0 | 111.5 | M1 S2 Q7 M8 D9 N65 V68 D69 | M1-K5 HydrophobicContact CG-CB 3.83Å; M1-K5 HydrophobicContact CG-CG 3.61Å; M1-K5 HydrophobicContact SD-CG 3.96Å; S2-K5 PolarHBondContact O-N 3.28Å; S2-K5 VanDerWaalsContact OG-CB 3.3Å; S2-K5 WeakPolarHBondContact OG-CB 3.44Å; S2-K5 PolarHBondContact OG-N 3.33Å; K5-Q7 PolarHBondContact O-N 2.75Å; K5-M8 PolarHBondContact O-N 2.9Å; K5-M8 VanDerWaalsContact O-N 3.14Å; K5-D9 WeakPolarHBondContact CE-OD1 3.47Å; K5-D9 IonicContact NZ-OD1 3.92Å; K5-D9 PolarHBondContact NZ-OD1 2.93Å; K5-D9 VanDerWaalsContact O-CG 3.23Å; K5-D9 PolarHBondContact O-N 3.37Å; K5-N65 PolarHBondContact NZ-OD1 2.85Å; K5-V68 HydrophobicContact CB-CG1 3.99Å; K5-V68 HydrophobicContact CD-CG1 4.44Å; K5-D69 VanDerWaalsContact CE-OD1 3.25Å; K5-D69 WeakPolarHBondContact CE-OD1 3.43Å; K5-D69 IonicContact NZ-OD1 3.66Å |
| 6 | E | 95.5 | Very high | 94.1 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -32.3 | 174.6 | -70 | 175 | -170.3 | 0 | 0 | 112.9 | M1 S2 K10 | M1-E6 HydrophobicContact CB-CG 3.93Å; M1-E6 HydrophobicContact CG-CG 4Å; M1-E6 HydrophobicContact SD-CG 4.31Å; S2-E6 WeakPolarHBondContact O-CG 3.25Å; S2-E6 PolarHBondContact O-N 2.98Å; E6-K10 WeakPolarHBondContact O-CG 3.35Å |
| 7 | Q | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.9 | -41.5 | 173.2 | -79 | -163.5 | -68.8 | 0 | 0 | 112.7 | I3 L4 K5 D9 K10 L109 T113 G114 Q119 | I3-Q7 PolarHBondContact O-N 3.22Å; L4-Q7 PolarHBondContact O-N 3.25Å; K5-Q7 PolarHBondContact O-N 2.75Å; Q7-D9 VanDerWaalsContact C-N 3.26Å; Q7-D9 PolarHBondContact O-N 3.14Å; Q7-K10 WeakPolarHBondContact O-CB 3.45Å; Q7-K10 PolarHBondContact O-N 2.97Å; Q7-K10 VanDerWaalsContact O-N 3.16Å; Q7-L109 HydrophobicContact CB-CD1 4.19Å; Q7-T113 PolarHBondContact NE2-OG1 3.36Å; Q7-G114 PolarHBondContact NE2-O 3.08Å; Q7-Q119 HydrophobicContact CG-CG 4.37Å |
| 8 | M | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -37.3 | 175.6 | -74 | -53.8 | -55.2 | 0 | 0 | 112.3 | L4 K5 K10 I11 I64 N65 V68 F105 W123 | L4-M8 WeakPolarHBondContact O-CG 3.48Å; L4-M8 PolarHBondContact O-N 3.16Å; K5-M8 PolarHBondContact O-N 2.9Å; K5-M8 VanDerWaalsContact O-N 3.14Å; M8-K10 PolarHBondContact O-N 3.27Å; M8-I11 PolarHBondContact O-N 3.23Å; M8-I64 HydrophobicContact CE-CG2 3.5Å; M8-I64 HydrophobicContact SD-CG2 3.94Å; M8-N65 HydrophobicContact CE-CB 4.03Å; M8-V68 HydrophobicContact CG-CG2 4.35Å; M8-F105 HydrophobicContact SD-CE2 4.35Å; M8-F105 HydrophobicContact SD-CZ 3.65Å; M8-W123 HydrophobicContact CG-CH2 3.92Å; M8-W123 HydrophobicContact CG-CZ2 4.06Å; M8-W123 HydrophobicContact SD-CH2 3.77Å; M8-W123 HydrophobicContact SD-CZ2 4.05Å |
| 9 | D | 95.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 49.9 Ų | 49.9 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -16.7 | -179.6 | -68.6 | -15.9 | 0 | 0 | 0 | 113 | M1 K5 Q7 I11 | M1-D9 VanDerWaalsContact SD-OD2 3.39Å; K5-D9 WeakPolarHBondContact CE-OD1 3.47Å; K5-D9 IonicContact NZ-OD1 3.92Å; K5-D9 PolarHBondContact NZ-OD1 2.93Å; K5-D9 VanDerWaalsContact O-CG 3.23Å; K5-D9 PolarHBondContact O-N 3.37Å; Q7-D9 VanDerWaalsContact C-N 3.26Å; Q7-D9 PolarHBondContact O-N 3.14Å; D9-I11 VanDerWaalsContact C-N 3.3Å |
| 10 | K | 96.3 | Very high | 94.9 | Very high | 122 Ų | 122 | 50.3 Ų | 50.3 | 53% | 0.53 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.4 | 171.7 | -64.7 | 172 | -174.7 | 177.1 | 0 | 113.2 | E6 Q7 M8 P12 T113 | E6-K10 WeakPolarHBondContact O-CG 3.35Å; Q7-K10 WeakPolarHBondContact O-CB 3.45Å; Q7-K10 PolarHBondContact O-N 2.97Å; Q7-K10 VanDerWaalsContact O-N 3.16Å; M8-K10 PolarHBondContact O-N 3.27Å; K10-P12 WeakPolarHBondContact O-CD 3.3Å; K10-T113 HydrophobicContact CB-CG2 3.75Å; K10-T113 HydrophobicContact CD-CG2 4.25Å |
| 11 | I | 96.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -114.6 | 94.3 | -179.6 | -58.1 | 165.8 | 0 | 0 | 0 | 109 | M8 D9 V13 N17 L61 F108 L109 M112 T113 | M8-I11 PolarHBondContact O-N 3.23Å; D9-I11 VanDerWaalsContact C-N 3.3Å; I11-V13 PolarHBondContact O-N 3.19Å; I11-N17 HydrophobicContact CG2-CB 4.48Å; I11-L61 HydrophobicContact CG2-CD1 4.23Å; I11-L61 HydrophobicContact CG2-CD2 4.39Å; I11-F108 HydrophobicContact CD1-CE1 3.97Å; I11-F108 HydrophobicContact CG2-CE1 3.99Å; I11-F108 HydrophobicContact CG2-CZ 3.9Å; I11-L109 HydrophobicContact CD1-CD1 3.41Å; I11-L109 VanDerWaalsContact CD1-CD1 3.41Å; I11-M112 HydrophobicContact CG1-CB 4.31Å; I11-T113 HydrophobicContact CD1-CG2 4.45Å; I11-T113 HydrophobicContact CG1-CG2 4.07Å |
| 12 | P | 96.9 | Very high | 96.8 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | trans | -59.6 | 137.6 | 174.4 | -23.2 | 32.6 | 0 | 0 | 0 | 111.5 | K10 N14 N17 | K10-P12 WeakPolarHBondContact O-CD 3.3Å; P12-N14 PolarHBondContact O-N 3.22Å; P12-N17 PolarHBondContact O-ND2 3.01Å | ||
| 13 | V | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 30% | 0.303 | 23% | 0.228 | S | C | . | . | trans | -78.4 | 105.8 | 171.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | I11 Q58 L61 R62 | I11-V13 PolarHBondContact O-N 3.19Å; V13-Q58 HydrophobicContact CG1-CB 3.84Å; V13-Q58 HydrophobicContact CG1-CG 3.97Å; V13-L61 HydrophobicContact CG2-CB 4.04Å; V13-R62 HydrophobicContact CG1-CG 3.83Å; V13-R62 HydrophobicContact CG2-CG 4.19Å | ||
| 14 | N | 98.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 41.9 Ų | 41.9 | 31% | 0.305 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -151.4 | 170.5 | 175.7 | 62.7 | 45.6 | 0 | 0 | 0 | 110.9 | P12 T16 N17 G18 Q58 | P12-N14 PolarHBondContact O-N 3.22Å; N14-T16 VanDerWaalsContact C-N 3.31Å; N14-T16 PolarHBondContact O-N 3.25Å; N14-T16 WeakPolarHBondContact OD1-CB 3.34Å; N14-T16 PolarHBondContact OD1-N 3.45Å; N14-N17 PolarHBondContact O-N 2.97Å; N14-N17 WeakPolarHBondContact OD1-CB 3.47Å; N14-N17 PolarHBondContact OD1-N 2.89Å; N14-G18 PolarHBondContact O-N 3.21Å; N14-Q58 VanDerWaalsContact C-CG 3.41Å; N14-Q58 VanDerWaalsContact O-CG 3.22Å; N14-Q58 WeakPolarHBondContact O-CG 3.45Å |
| 15 | A | 98.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 30% | 0.298 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57.3 | -42 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G18 G19 Q54 | A15-G18 PolarHBondContact O-N 3.25Å; A15-G19 PolarHBondContact O-N 3.36Å; A15-Q54 HydrophobicContact CB-CB 4.01Å; A15-Q54 HydrophobicContact CB-CG 4.28Å; A15-Q54 WeakPolarHBondContact O-CG 3.48Å |
| 16 | T | 98.2 | Very high | 97.4 | Very high | 93 Ų | 93 | 41.5 Ų | 41.5 | 57% | 0.571 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -59.9 | -53.3 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | N14 G18 G19 L20 | N14-T16 VanDerWaalsContact C-N 3.31Å; N14-T16 PolarHBondContact O-N 3.25Å; N14-T16 WeakPolarHBondContact OD1-CB 3.34Å; N14-T16 PolarHBondContact OD1-N 3.45Å; T16-G18 VanDerWaalsContact C-N 3.31Å; T16-G18 PolarHBondContact O-N 3.46Å; T16-G19 PolarHBondContact O-N 2.94Å; T16-L20 HydrophobicContact CG2-CD1 4.13Å; T16-L20 WeakPolarHBondContact O-CB 3.47Å; T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 3.41Å |
| 17 | N | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -34.4 | -179.7 | -71.6 | -9.9 | 0 | 0 | 0 | 111.7 | I11 P12 N14 L20 F21 L61 M112 | I11-N17 HydrophobicContact CG2-CB 4.48Å; P12-N17 PolarHBondContact O-ND2 3.01Å; N14-N17 PolarHBondContact O-N 2.97Å; N14-N17 WeakPolarHBondContact OD1-CB 3.47Å; N14-N17 PolarHBondContact OD1-N 2.89Å; N17-L20 PolarHBondContact O-N 3.44Å; N17-F21 WeakPolarHBondContact O-CB 3.45Å; N17-F21 PolarHBondContact O-N 2.97Å; N17-L61 HydrophobicContact CB-CD1 4.04Å; N17-M112 WeakPolarHBondContact OD1-CE 3.32Å |
| 18 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N14 A15 T16 F21 Y22 | N14-G18 PolarHBondContact O-N 3.21Å; A15-G18 PolarHBondContact O-N 3.25Å; T16-G18 VanDerWaalsContact C-N 3.31Å; T16-G18 PolarHBondContact O-N 3.46Å; G18-F21 PolarHBondContact O-N 2.94Å; G18-Y22 PolarHBondContact O-N 3Å |
| 19 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A15 T16 Y22 K23 | A15-G19 PolarHBondContact O-N 3.36Å; T16-G19 PolarHBondContact O-N 2.94Å; G19-Y22 PolarHBondContact O-N 3.38Å; G19-K23 PolarHBondContact O-N 3.21Å |
| 20 | L | 98.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 42 Ų | 42 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.9 | -72.7 | 175 | 0 | 0 | 0 | 112.3 | T16 N17 Y22 K23 T24 F108 M112 | T16-L20 HydrophobicContact CG2-CD1 4.13Å; T16-L20 WeakPolarHBondContact O-CB 3.47Å; T16-L20 VanDerWaalsContact O-CG 3.31Å; T16-L20 WeakPolarHBondContact O-CG 3.37Å; T16-L20 PolarHBondContact O-N 3.41Å; N17-L20 PolarHBondContact O-N 3.44Å; L20-Y22 PolarHBondContact O-N 3.26Å; L20-K23 PolarHBondContact O-N 3.01Å; L20-T24 PolarHBondContact O-N 2.97Å; L20-T24 PolarHBondContact O-OG1 3.44Å; L20-F108 HydrophobicContact CB-CE2 4.17Å; L20-M112 HydrophobicContact CD1-SD 4.45Å |
| 21 | F | 98.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 174.1 | 168.2 | -105.8 | 0 | 0 | 0 | 111.1 | N17 G18 K23 T24 F25 F60 F105 F108 | N17-F21 WeakPolarHBondContact O-CB 3.45Å; N17-F21 PolarHBondContact O-N 2.97Å; G18-F21 PolarHBondContact O-N 2.94Å; F21-K23 PolarHBondContact O-N 3.35Å; F21-T24 WeakPolarHBondContact O-CB 3.33Å; F21-T24 PolarHBondContact O-N 2.93Å; F21-F25 PolarHBondContact O-N 2.76Å; F21-F60 HydrophobicContact CD1-CB 4.39Å; F21-F60 AromaticContact CD1-CD1 3.87Å; F21-F60 HydrophobicContact CD1-CD1 3.87Å; F21-F60 HydrophobicContact CD1-CG 4.2Å; F21-F60 HydrophobicContact CD2-CD1 4.26Å; F21-F60 HydrophobicContact CD2-CE1 4.21Å; F21-F60 HydrophobicContact CE1-CB 4.02Å; F21-F60 AromaticContact CE1-CD1 3.39Å; F21-F60 HydrophobicContact CE1-CD1 3.39Å; F21-F60 HydrophobicContact CE1-CD2 4.03Å; F21-F60 AromaticContact CE1-CE1 3.84Å; F21-F60 HydrophobicContact CE1-CE1 3.84Å; F21-F60 HydrophobicContact CE1-CE2 4.4Å; F21-F60 AromaticContact CE1-CG 3.51Å; F21-F60 HydrophobicContact CE1-CG 3.51Å; F21-F60 HydrophobicContact CE1-CZ 4.31Å; F21-F60 AromaticContact CE2-CD1 3.83Å; F21-F60 HydrophobicContact CE2-CD1 3.83Å; F21-F60 AromaticContact CE2-CE1 3.49Å; F21-F60 HydrophobicContact CE2-CE1 3.49Å; F21-F60 VanDerWaalsContact CE2-CE1 3.49Å; F21-F60 HydrophobicContact CE2-CZ 4.03Å; F21-F60 HydrophobicContact CG-CD1 4.28Å; F21-F60 AromaticContact CZ-CD1 3.37Å; F21-F60 HydrophobicContact CZ-CD1 3.37Å; F21-F60 HydrophobicContact CZ-CD2 4.06Å; F21-F60 AromaticContact CZ-CE1 3.26Å; F21-F60 HydrophobicContact CZ-CE1 3.26Å; F21-F60 AromaticContact CZ-CE2 3.95Å; F21-F60 HydrophobicContact CZ-CE2 3.95Å; F21-F60 AromaticContact CZ-CG 3.79Å; F21-F60 HydrophobicContact CZ-CG 3.79Å; F21-F60 AromaticContact CZ-CZ 3.56Å; F21-F60 HydrophobicContact CZ-CZ 3.56Å; F21-F105 HydrophobicContact CE2-CB 4.38Å; F21-F105 HydrophobicContact CE2-CD2 4.22Å; F21-F108 HydrophobicContact CB-CD1 4.44Å; F21-F108 HydrophobicContact CB-CD2 4.04Å; F21-F108 HydrophobicContact CB-CE1 4.44Å; F21-F108 HydrophobicContact CB-CE2 4.05Å; F21-F108 HydrophobicContact CB-CG 4.24Å; F21-F108 HydrophobicContact CB-CZ 4.25Å; F21-F108 HydrophobicContact CD2-CB 4.1Å; F21-F108 HydrophobicContact CD2-CD1 4.01Å; F21-F108 AromaticContact CD2-CG 3.97Å; F21-F108 HydrophobicContact CD2-CG 3.97Å |
| 22 | Y | 98.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -31.2 | -179.7 | -92.1 | -69.8 | 0 | 0 | 0 | 113.7 | G18 G19 L20 T24 F25 F26 F37 F53 L56 G57 | G18-Y22 PolarHBondContact O-N 3Å; G19-Y22 PolarHBondContact O-N 3.38Å; L20-Y22 PolarHBondContact O-N 3.26Å; Y22-T24 VanDerWaalsContact C-N 3.3Å; Y22-T24 PolarHBondContact O-N 2.85Å; Y22-F25 HydrophobicContact CD1-CB 4.1Å; Y22-F25 AromaticContact CD1-CD1 3.99Å; Y22-F25 HydrophobicContact CD1-CD1 3.99Å; Y22-F25 HydrophobicContact CD1-CG 4.17Å; Y22-F25 HydrophobicContact CE1-CD1 4.15Å; Y22-F25 HydrophobicContact CE1-CG 4.36Å; Y22-F25 WeakPolarHBondContact O-CB 3.35Å; Y22-F25 PolarHBondContact O-N 2.91Å; Y22-F26 HydrophobicContact CD1-CD2 4.27Å; Y22-F26 AromaticContact CD1-CE2 3.56Å; Y22-F26 HydrophobicContact CD1-CE2 3.56Å; Y22-F26 AromaticContact CD1-CZ 3.89Å; Y22-F26 HydrophobicContact CD1-CZ 3.89Å; Y22-F26 HydrophobicContact CE1-CE2 4.43Å; Y22-F26 HydrophobicContact CE1-CZ 4.35Å; Y22-F26 HydrophobicContact CG-CE2 4.19Å; Y22-F26 WeakPolarHBondContact O-CD2 3.41Å; Y22-F26 PolarHBondContact O-N 3.31Å; Y22-F37 AromaticContact CE1-CE1 3.61Å; Y22-F37 HydrophobicContact CE1-CE1 3.61Å; Y22-F37 AromaticContact CE1-CZ 3.59Å; Y22-F37 HydrophobicContact CE1-CZ 3.59Å; Y22-F37 AromaticContact CZ-CE1 3.95Å; Y22-F53 HydrophobicContact CD1-CD1 4.08Å; Y22-F53 HydrophobicContact CD2-CB 4.24Å; Y22-F53 HydrophobicContact CD2-CD1 4.27Å; Y22-F53 WeakPolarHBondContact CD2-O 3.44Å; Y22-F53 HydrophobicContact CG-CB 4.19Å; Y22-F53 AromaticContact CG-CD1 3.91Å; Y22-F53 HydrophobicContact CG-CD1 3.91Å; Y22-F53 HydrophobicContact CG-CG 4.39Å; Y22-L56 HydrophobicContact CD2-CB 4.17Å; Y22-L56 VanDerWaalsContact CE2-C 3.47Å; Y22-L56 HydrophobicContact CE2-CB 3.39Å; Y22-G57 VanDerWaalsContact CE2-N 3.33Å |
| 23 | K | 98 | Very high | 97 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 38% | 0.383 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 168.9 | 167.2 | 174.7 | 175.5 | -176.5 | 0 | 110.6 | G19 L20 F21 F26 T27 P44 V47 P48 | G19-K23 PolarHBondContact O-N 3.21Å; L20-K23 PolarHBondContact O-N 3.01Å; F21-K23 PolarHBondContact O-N 3.35Å; K23-F26 PolarHBondContact O-N 3.16Å; K23-T27 PolarHBondContact O-N 2.99Å; K23-T27 VanDerWaalsContact O-N 3.13Å; K23-T27 PolarHBondContact O-OG1 2.86Å; K23-P44 HydrophobicContact CG-CB 4.42Å; K23-P44 WeakPolarHBondContact CG-O 3.38Å; K23-V47 HydrophobicContact CB-CB 4.47Å; K23-V47 HydrophobicContact CB-CG1 4.43Å; K23-P48 HydrophobicContact CB-CG 3.89Å; K23-P48 HydrophobicContact CD-CG 3.67Å; K23-P48 HydrophobicContact CG-CG 4.34Å |
| 24 | T | 97.7 | Very high | 96.9 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -45 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | L20 F21 Y22 F26 T27 V28 T107 F108 | L20-T24 PolarHBondContact O-N 2.97Å; L20-T24 PolarHBondContact O-OG1 3.44Å; F21-T24 WeakPolarHBondContact O-CB 3.33Å; F21-T24 PolarHBondContact O-N 2.93Å; Y22-T24 VanDerWaalsContact C-N 3.3Å; Y22-T24 PolarHBondContact O-N 2.85Å; T24-F26 PolarHBondContact O-N 3.03Å; T24-T27 WeakPolarHBondContact O-CB 3.49Å; T24-T27 PolarHBondContact O-N 3.46Å; T24-V28 HydrophobicContact CG2-CG2 4.33Å; T24-V28 WeakPolarHBondContact O-CG2 3.32Å; T24-V28 PolarHBondContact O-N 3.44Å; T24-T107 HydrophobicContact CG2-CG2 3.59Å; T24-F108 HydrophobicContact CG2-CB 4.05Å |
| 25 | F | 97.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 45 Ų | 45 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54 | -52.8 | 176.4 | 179.8 | -91.3 | 0 | 0 | 0 | 111.6 | F21 Y22 T27 V28 A29 Y33 F37 A104 | F21-F25 PolarHBondContact O-N 2.76Å; Y22-F25 HydrophobicContact CD1-CB 4.1Å; Y22-F25 AromaticContact CD1-CD1 3.99Å; Y22-F25 HydrophobicContact CD1-CD1 3.99Å; Y22-F25 HydrophobicContact CD1-CG 4.17Å; Y22-F25 HydrophobicContact CE1-CD1 4.15Å; Y22-F25 HydrophobicContact CE1-CG 4.36Å; Y22-F25 WeakPolarHBondContact O-CB 3.35Å; Y22-F25 PolarHBondContact O-N 2.91Å; F25-T27 PolarHBondContact O-N 3.13Å; F25-V28 PolarHBondContact O-N 3.24Å; F25-V28 VanDerWaalsContact O-N 3.15Å; F25-A29 HydrophobicContact CD1-CB 4.11Å; F25-A29 HydrophobicContact CE1-CB 3.88Å; F25-A29 HydrophobicContact CE2-CB 4.33Å; F25-A29 HydrophobicContact CG-CB 4.44Å; F25-A29 HydrophobicContact CZ-CB 4.01Å; F25-A29 WeakPolarHBondContact O-CA 3.42Å; F25-A29 WeakPolarHBondContact O-CB 3.39Å; F25-A29 PolarHBondContact O-N 3.44Å; F25-Y33 HydrophobicContact CE1-CD2 4.23Å; F25-Y33 AromaticContact CZ-CD2 3.78Å; F25-Y33 HydrophobicContact CZ-CD2 3.78Å; F25-Y33 HydrophobicContact CZ-CE2 4.45Å; F25-F37 AromaticContact CE1-CE2 3.91Å; F25-F37 HydrophobicContact CE1-CE2 3.91Å; F25-F37 HydrophobicContact CE1-CZ 4.1Å; F25-F37 HydrophobicContact CZ-CE2 4.49Å; F25-A104 HydrophobicContact CB-CB 4.37Å; F25-A104 HydrophobicContact CD2-CB 3.78Å; F25-A104 HydrophobicContact CG-CB 4.48Å |
| 26 | F | 97.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.1 | -8.9 | -180 | -64.7 | -60.9 | 0 | 0 | 0 | 114.2 | Y22 K23 T24 F37 I42 P44 V47 F53 | Y22-F26 HydrophobicContact CD1-CD2 4.27Å; Y22-F26 AromaticContact CD1-CE2 3.56Å; Y22-F26 HydrophobicContact CD1-CE2 3.56Å; Y22-F26 AromaticContact CD1-CZ 3.89Å; Y22-F26 HydrophobicContact CD1-CZ 3.89Å; Y22-F26 HydrophobicContact CE1-CE2 4.43Å; Y22-F26 HydrophobicContact CE1-CZ 4.35Å; Y22-F26 HydrophobicContact CG-CE2 4.19Å; Y22-F26 WeakPolarHBondContact O-CD2 3.41Å; Y22-F26 PolarHBondContact O-N 3.31Å; K23-F26 PolarHBondContact O-N 3.16Å; T24-F26 PolarHBondContact O-N 3.03Å; F26-F37 AromaticContact CE1-CD2 3.75Å; F26-F37 HydrophobicContact CE1-CD2 3.75Å; F26-F37 AromaticContact CE1-CE2 3.69Å; F26-F37 HydrophobicContact CE1-CE2 3.69Å; F26-F37 HydrophobicContact CE1-CZ 4.4Å; F26-F37 HydrophobicContact CZ-CD1 4.38Å; F26-F37 AromaticContact CZ-CD2 3.71Å; F26-F37 HydrophobicContact CZ-CD2 3.71Å; F26-F37 HydrophobicContact CZ-CE1 4.36Å; F26-F37 AromaticContact CZ-CE2 3.72Å; F26-F37 HydrophobicContact CZ-CE2 3.72Å; F26-F37 HydrophobicContact CZ-CG 4.07Å; F26-F37 HydrophobicContact CZ-CZ 4.06Å; F26-I42 HydrophobicContact CB-CG2 4.29Å; F26-I42 HydrophobicContact CD1-CB 4.43Å; F26-I42 HydrophobicContact CD1-CD1 4.05Å; F26-I42 HydrophobicContact CD1-CG2 4.26Å; F26-I42 HydrophobicContact CD2-CD1 4.49Å; F26-I42 HydrophobicContact CD2-CG2 3.69Å; F26-I42 HydrophobicContact CE1-CD1 3.45Å; F26-I42 VanDerWaalsContact CE1-CD1 3.45Å; F26-I42 HydrophobicContact CE2-CD1 3.94Å; F26-I42 HydrophobicContact CE2-CG2 4.04Å; F26-I42 HydrophobicContact CG-CB 4.45Å; F26-I42 HydrophobicContact CG-CG2 3.82Å; F26-I42 HydrophobicContact CZ-CD1 3.39Å; F26-I42 HydrophobicContact CZ-CG2 4.48Å; F26-P44 HydrophobicContact CB-CB 4.35Å; F26-P44 HydrophobicContact CB-CG 3.92Å; F26-P44 WeakPolarHBondContact O-CG 3.34Å; F26-V47 HydrophobicContact CD2-CG1 4.22Å; F26-V47 HydrophobicContact CD2-CG2 3.77Å; F26-V47 HydrophobicContact CE2-CG1 4.46Å; F26-V47 HydrophobicContact CE2-CG2 4.28Å; F26-F53 AromaticContact CE2-CD1 3.78Å; F26-F53 HydrophobicContact CE2-CD1 3.78Å; F26-F53 AromaticContact CE2-CE1 3.48Å; F26-F53 HydrophobicContact CE2-CE1 3.48Å; F26-F53 VanDerWaalsContact CE2-CE1 3.48Å; F26-F53 HydrophobicContact CE2-CE2 4.25Å; F26-F53 HydrophobicContact CE2-CG 4.32Å; F26-F53 AromaticContact CE2-CZ 3.75Å; F26-F53 HydrophobicContact CE2-CZ 3.75Å; F26-F53 HydrophobicContact CZ-CD1 4.23Å; F26-F53 AromaticContact CZ-CE1 3.56Å; F26-F53 HydrophobicContact CZ-CE1 3.56Å; F26-F53 AromaticContact CZ-CZ 3.9Å; F26-F53 HydrophobicContact CZ-CZ 3.9Å |
| 27 | T | 96.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 42 Ų | 42 | 58% | 0.583 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -84.2 | -32.6 | 170.2 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | K23 T24 F25 | K23-T27 PolarHBondContact O-N 2.99Å; K23-T27 VanDerWaalsContact O-N 3.13Å; K23-T27 PolarHBondContact O-OG1 2.86Å; T24-T27 WeakPolarHBondContact O-CB 3.49Å; T24-T27 PolarHBondContact O-N 3.46Å; F25-T27 PolarHBondContact O-N 3.13Å |
| 28 | V | 95.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -96.9 | -37.3 | -176 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | T24 F25 P103 A104 T107 | T24-V28 HydrophobicContact CG2-CG2 4.33Å; T24-V28 WeakPolarHBondContact O-CG2 3.32Å; T24-V28 PolarHBondContact O-N 3.44Å; F25-V28 PolarHBondContact O-N 3.24Å; F25-V28 VanDerWaalsContact O-N 3.15Å; V28-P103 HydrophobicContact CG1-CB 3.85Å; V28-A104 HydrophobicContact CB-CB 4.47Å; V28-T107 HydrophobicContact CG2-CG2 4.24Å |
| 29 | A | 94.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.9 | 154.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F25 Y33 | F25-A29 HydrophobicContact CD1-CB 4.11Å; F25-A29 HydrophobicContact CE1-CB 3.88Å; F25-A29 HydrophobicContact CE2-CB 4.33Å; F25-A29 HydrophobicContact CG-CB 4.44Å; F25-A29 HydrophobicContact CZ-CB 4.01Å; F25-A29 WeakPolarHBondContact O-CA 3.42Å; F25-A29 WeakPolarHBondContact O-CB 3.39Å; F25-A29 PolarHBondContact O-N 3.44Å; A29-Y33 HydrophobicContact CB-CD2 3.8Å; A29-Y33 HydrophobicContact CB-CE2 4.32Å; A29-Y33 HydrophobicContact CB-CG 4.39Å |
| 30 | P | 94.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | trans | -57 | 136.8 | 174 | -23.5 | 34 | 0 | 0 | 0 | 112 | E32 Y33 | P30-E32 HydrophobicContact CB-CG 4.22Å; P30-E32 WeakPolarHBondContact CB-OE1 3.38Å; P30-E32 WeakPolarHBondContact CB-OE2 3.28Å; P30-E32 PolarHBondContact O-N 2.8Å; P30-E32 VanDerWaalsContact O-N 3.08Å; P30-Y33 HydrophobicContact CB-CD1 4.01Å; P30-Y33 HydrophobicContact CB-CE1 4.06Å; P30-Y33 HydrophobicContact CG-CD1 4.15Å; P30-Y33 HydrophobicContact CG-CE1 3.76Å; P30-Y33 VanDerWaalsContact O-CB 3.32Å; P30-Y33 WeakPolarHBondContact O-CB 3.36Å; P30-Y33 PolarHBondContact O-N 3.01Å | ||
| 31 | P | 94.4 | Very high | 95.7 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 73% | 0.727 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -55.1 | -30.8 | -177.8 | -27.5 | 35.1 | 0 | 0 | 0 | 114.3 | Y33 S34 | P31-Y33 PolarHBondContact O-N 3.34Å; P31-S34 WeakPolarHBondContact O-CB 3.28Å; P31-S34 PolarHBondContact O-N 3.13Å; P31-S34 PolarHBondContact O-OG 3.43Å |
| 32 | E | 94.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -66.2 | -12.2 | 177.6 | 69 | -87.3 | -157.9 | 0 | 0 | 113.7 | P30 S34 K35 | P30-E32 HydrophobicContact CB-CG 4.22Å; P30-E32 WeakPolarHBondContact CB-OE1 3.38Å; P30-E32 WeakPolarHBondContact CB-OE2 3.28Å; P30-E32 PolarHBondContact O-N 2.8Å; P30-E32 VanDerWaalsContact O-N 3.08Å; E32-S34 PolarHBondContact O-N 3.1Å; E32-K35 WeakPolarHBondContact O-CD 3.32Å; E32-K35 WeakPolarHBondContact O-CG 3.46Å; E32-K35 PolarHBondContact O-N 3.16Å |
| 33 | Y | 95.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -67 | -18.2 | 176 | -79.9 | 22 | 0 | 0 | 0 | 112.4 | F25 A29 P30 P31 K35 F36 F37 E97 K100 | F25-Y33 HydrophobicContact CE1-CD2 4.23Å; F25-Y33 AromaticContact CZ-CD2 3.78Å; F25-Y33 HydrophobicContact CZ-CD2 3.78Å; F25-Y33 HydrophobicContact CZ-CE2 4.45Å; A29-Y33 HydrophobicContact CB-CD2 3.8Å; A29-Y33 HydrophobicContact CB-CE2 4.32Å; A29-Y33 HydrophobicContact CB-CG 4.39Å; P30-Y33 HydrophobicContact CB-CD1 4.01Å; P30-Y33 HydrophobicContact CB-CE1 4.06Å; P30-Y33 HydrophobicContact CG-CD1 4.15Å; P30-Y33 HydrophobicContact CG-CE1 3.76Å; P30-Y33 VanDerWaalsContact O-CB 3.32Å; P30-Y33 WeakPolarHBondContact O-CB 3.36Å; P30-Y33 PolarHBondContact O-N 3.01Å; P31-Y33 PolarHBondContact O-N 3.34Å; Y33-K35 PolarHBondContact O-N 3.36Å; Y33-K35 VanDerWaalsContact O-N 3.1Å; Y33-F36 HydrophobicContact CD1-CD2 4.05Å; Y33-F36 AromaticContact CD1-CE2 3.61Å; Y33-F36 HydrophobicContact CD1-CE2 3.61Å; Y33-F36 AromaticContact CE1-CE2 3.96Å; Y33-F36 HydrophobicContact CE1-CE2 3.96Å; Y33-F36 AromaticContact CG-CD2 3.96Å; Y33-F36 HydrophobicContact CG-CD2 3.96Å; Y33-F36 AromaticContact CG-CE2 3.98Å; Y33-F36 HydrophobicContact CG-CE2 3.98Å; Y33-F36 WeakPolarHBondContact O-CB 3.47Å; Y33-F36 PolarHBondContact O-N 3.1Å; Y33-F37 VanDerWaalsContact O-CD2 3.28Å; Y33-F37 WeakPolarHBondContact O-CD2 3.35Å; Y33-E97 HydrophobicContact CE1-CG 4.38Å; Y33-E97 HydrophobicContact CE2-CB 4.49Å; Y33-E97 WeakPolarHBondContact OH-CA 3.36Å; Y33-E97 PolarHBondContact OH-O 3.17Å; Y33-K100 HydrophobicContact CE2-CB 4.05Å; Y33-K100 HydrophobicContact CE2-CG 4Å; Y33-K100 WeakPolarHBondContact OH-CG 3.39Å |
| 34 | S | 95.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 61.6 Ų | 61.6 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -48.4 | -34 | 169.5 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | P31 E32 F36 F37 G38 M39 D40 | P31-S34 WeakPolarHBondContact O-CB 3.28Å; P31-S34 PolarHBondContact O-N 3.13Å; P31-S34 PolarHBondContact O-OG 3.43Å; E32-S34 PolarHBondContact O-N 3.1Å; S34-F36 VanDerWaalsContact C-N 3.31Å; S34-F36 PolarHBondContact O-N 3.36Å; S34-F37 CarbonylContact O-C 3.54Å; S34-F37 WeakPolarHBondContact O-CA 3.43Å; S34-F37 PolarHBondContact O-N 3.33Å; S34-G38 PolarHBondContact O-N 3.47Å; S34-M39 CarbonylContact C-O 3.09Å; S34-M39 VanDerWaalsContact CB-O 3.31Å; S34-M39 WeakPolarHBondContact CB-O 3.35Å; S34-M39 PolarHBondContact O-N 2.8Å; S34-M39 VanDerWaalsContact O-O 3.09Å; S34-M39 PolarHBondContact OG-O 2.68Å; S34-D40 PolarHBondContact OG-O 3.14Å |
| 35 | K | 95.6 | Very high | 95.6 | Very high | 129 Ų | 129 | 63.8 Ų | 63.8 | 56% | 0.561 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -60.6 | -34.3 | 176.6 | 81.2 | -166.9 | 174.6 | 176.5 | 0 | 113.7 | E32 Y33 F37 G38 M39 | E32-K35 WeakPolarHBondContact O-CD 3.32Å; E32-K35 WeakPolarHBondContact O-CG 3.46Å; E32-K35 PolarHBondContact O-N 3.16Å; Y33-K35 PolarHBondContact O-N 3.36Å; Y33-K35 VanDerWaalsContact O-N 3.1Å; K35-F37 PolarHBondContact O-N 2.92Å; K35-G38 PolarHBondContact O-N 3.45Å; K35-M39 PolarHBondContact N-O 2.89Å |
| 36 | F | 95.2 | Very high | 95.5 | Very high | 31 Ų | 31 | 67.1 Ų | 67.1 | 14% | 0.136 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -69.2 | -16.1 | 177.9 | -59 | -56.6 | 0 | 0 | 0 | 112.2 | Y33 S34 Y91 N92 V93 E97 | Y33-F36 HydrophobicContact CD1-CD2 4.05Å; Y33-F36 AromaticContact CD1-CE2 3.61Å; Y33-F36 HydrophobicContact CD1-CE2 3.61Å; Y33-F36 AromaticContact CE1-CE2 3.96Å; Y33-F36 HydrophobicContact CE1-CE2 3.96Å; Y33-F36 AromaticContact CG-CD2 3.96Å; Y33-F36 HydrophobicContact CG-CD2 3.96Å; Y33-F36 AromaticContact CG-CE2 3.98Å; Y33-F36 HydrophobicContact CG-CE2 3.98Å; Y33-F36 WeakPolarHBondContact O-CB 3.47Å; Y33-F36 PolarHBondContact O-N 3.1Å; S34-F36 VanDerWaalsContact C-N 3.31Å; S34-F36 PolarHBondContact O-N 3.36Å; F36-Y91 WeakPolarHBondContact CD1-O 3.44Å; F36-N92 WeakPolarHBondContact CE1-O 3.45Å; F36-V93 HydrophobicContact CB-CG2 3.97Å; F36-V93 HydrophobicContact CD1-CG2 3.71Å; F36-V93 HydrophobicContact CD2-CG2 4.26Å; F36-V93 HydrophobicContact CE1-CG2 4.22Å; F36-V93 HydrophobicContact CG-CG2 3.73Å; F36-E97 HydrophobicContact CE1-CG 4.4Å; F36-E97 HydrophobicContact CE2-CB 4.44Å; F36-E97 HydrophobicContact CE2-CG 3.57Å; F36-E97 HydrophobicContact CZ-CG 3.45Å; F36-E97 VanDerWaalsContact CZ-CG 3.45Å |
| 37 | F | 95.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 66.1 Ų | 66.1 | 16% | 0.158 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -101.8 | 7.3 | 173.9 | -58.8 | -89 | 0 | 0 | 0 | 112.1 | Y22 F25 F26 Y33 S34 K35 I42 K52 F53 L56 | Y22-F37 AromaticContact CE1-CE1 3.61Å; Y22-F37 HydrophobicContact CE1-CE1 3.61Å; Y22-F37 AromaticContact CE1-CZ 3.59Å; Y22-F37 HydrophobicContact CE1-CZ 3.59Å; Y22-F37 AromaticContact CZ-CE1 3.95Å; F25-F37 AromaticContact CE1-CE2 3.91Å; F25-F37 HydrophobicContact CE1-CE2 3.91Å; F25-F37 HydrophobicContact CE1-CZ 4.1Å; F25-F37 HydrophobicContact CZ-CE2 4.49Å; F26-F37 AromaticContact CE1-CD2 3.75Å; F26-F37 HydrophobicContact CE1-CD2 3.75Å; F26-F37 AromaticContact CE1-CE2 3.69Å; F26-F37 HydrophobicContact CE1-CE2 3.69Å; F26-F37 HydrophobicContact CE1-CZ 4.4Å; F26-F37 HydrophobicContact CZ-CD1 4.38Å; F26-F37 AromaticContact CZ-CD2 3.71Å; F26-F37 HydrophobicContact CZ-CD2 3.71Å; F26-F37 HydrophobicContact CZ-CE1 4.36Å; F26-F37 AromaticContact CZ-CE2 3.72Å; F26-F37 HydrophobicContact CZ-CE2 3.72Å; F26-F37 HydrophobicContact CZ-CG 4.07Å; F26-F37 HydrophobicContact CZ-CZ 4.06Å; Y33-F37 VanDerWaalsContact O-CD2 3.28Å; Y33-F37 WeakPolarHBondContact O-CD2 3.35Å; S34-F37 CarbonylContact O-C 3.54Å; S34-F37 WeakPolarHBondContact O-CA 3.43Å; S34-F37 PolarHBondContact O-N 3.33Å; K35-F37 PolarHBondContact O-N 2.92Å; F37-I42 HydrophobicContact CB-CD1 4.27Å; F37-K52 PolarHBondContact O-NZ 2.84Å; F37-F53 HydrophobicContact CB-CE1 4.38Å; F37-F53 HydrophobicContact CB-CZ 4.49Å; F37-F53 AromaticContact CD1-CE1 3.76Å; F37-F53 HydrophobicContact CD1-CE1 3.76Å; F37-F53 HydrophobicContact CE1-CE1 4.32Å; F37-F53 HydrophobicContact CG-CE1 4.1Å; F37-L56 HydrophobicContact CD1-CD1 4.04Å; F37-L56 HydrophobicContact CE1-CD1 4.15Å |
| 38 | G | 93.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 63.4 Ų | 63.4 | 73% | 0.732 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 36.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S34 K35 | S34-G38 PolarHBondContact O-N 3.47Å; K35-G38 PolarHBondContact O-N 3.45Å |
| 39 | M | 94.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 26% | 0.261 | 37% | 0.372 | S | S | . | . | trans | -130.6 | 138.8 | 178.2 | -62.7 | -176 | 67 | 0 | 0 | 109.8 | S34 K35 K41 I42 M50 F53 | S34-M39 CarbonylContact C-O 3.09Å; S34-M39 VanDerWaalsContact CB-O 3.31Å; S34-M39 WeakPolarHBondContact CB-O 3.35Å; S34-M39 PolarHBondContact O-N 2.8Å; S34-M39 VanDerWaalsContact O-O 3.09Å; S34-M39 PolarHBondContact OG-O 2.68Å; K35-M39 PolarHBondContact N-O 2.89Å; M39-K41 VanDerWaalsContact C-N 3.34Å; M39-I42 HydrophobicContact CB-CD1 4.26Å; M39-I42 HydrophobicContact CB-CG1 3.95Å; M39-I42 HydrophobicContact CE-CG1 4Å; M39-I42 HydrophobicContact CG-CG1 4.45Å; M39-I42 HydrophobicContact SD-CD1 3.97Å; M39-I42 HydrophobicContact SD-CG1 3.78Å; M39-M50 HydrophobicContact CE-CE 4Å; M39-M50 HydrophobicContact SD-CE 4.28Å; M39-F53 HydrophobicContact SD-CE2 4.09Å; M39-F53 HydrophobicContact SD-CZ 3.86Å | ||
| 40 | D | 93.7 | Very high | 95.9 | Very high | 170 Ų | 170 | 66.3 Ų | 66.3 | 91% | 0.909 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -69.1 | -36.2 | 178.8 | -62.7 | -28.8 | 0 | 0 | 0 | 112.1 | S34 | S34-D40 PolarHBondContact OG-O 3.14Š|
| 41 | K | 94.8 | Very high | 96.1 | Very high | 172 Ų | 172 | 69.3 Ų | 69.3 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | trans | -150.2 | 144.2 | 178.3 | -171.8 | 175 | -179.5 | 179.9 | 0 | 109.7 | M39 | M39-K41 VanDerWaalsContact C-N 3.34Š| ||
| 42 | I | 97 | Very high | 96.2 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | trans | -123.1 | 128.7 | 171.8 | -65 | 170.5 | 0 | 0 | 0 | 107.5 | F26 F37 M39 V47 F53 | F26-I42 HydrophobicContact CB-CG2 4.29Å; F26-I42 HydrophobicContact CD1-CB 4.43Å; F26-I42 HydrophobicContact CD1-CD1 4.05Å; F26-I42 HydrophobicContact CD1-CG2 4.26Å; F26-I42 HydrophobicContact CD2-CD1 4.49Å; F26-I42 HydrophobicContact CD2-CG2 3.69Å; F26-I42 HydrophobicContact CE1-CD1 3.45Å; F26-I42 VanDerWaalsContact CE1-CD1 3.45Å; F26-I42 HydrophobicContact CE2-CD1 3.94Å; F26-I42 HydrophobicContact CE2-CG2 4.04Å; F26-I42 HydrophobicContact CG-CB 4.45Å; F26-I42 HydrophobicContact CG-CG2 3.82Å; F26-I42 HydrophobicContact CZ-CD1 3.39Å; F26-I42 HydrophobicContact CZ-CG2 4.48Å; F37-I42 HydrophobicContact CB-CD1 4.27Å; M39-I42 HydrophobicContact CB-CD1 4.26Å; M39-I42 HydrophobicContact CB-CG1 3.95Å; M39-I42 HydrophobicContact CE-CG1 4Å; M39-I42 HydrophobicContact CG-CG1 4.45Å; M39-I42 HydrophobicContact SD-CD1 3.97Å; M39-I42 HydrophobicContact SD-CG1 3.78Å; I42-V47 HydrophobicContact CG2-CG2 3.41Å; I42-V47 VanDerWaalsContact CG2-CG2 3.41Å; I42-F53 HydrophobicContact CD1-CE1 4.41Å; I42-F53 HydrophobicContact CD1-CE2 4.39Å; I42-F53 HydrophobicContact CD1-CZ 3.66Å; I42-F53 HydrophobicContact CG1-CZ 4.43Å | ||
| 43 | N | 96.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 43% | 0.428 | 36% | 0.362 | S | S | . | . | trans | -94.2 | 115.5 | 169.1 | 175.3 | 14.7 | 0 | 0 | 0 | 108.6 | A45 D46 | N43-A45 PolarHBondContact O-N 3.14Å; N43-A45 PolarHBondContact OD1-N 3.25Å; N43-D46 WeakPolarHBondContact CB-OD2 3.4Å; N43-D46 PolarHBondContact ND2-OD2 2.95Å; N43-D46 PolarHBondContact O-N 3.38Å; N43-D46 VanDerWaalsContact O-N 3.08Å | ||
| 44 | P | 97.4 | Very high | 96.6 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.1 | -178.2 | -26.6 | 34.9 | 0 | 0 | 0 | 114.5 | K23 F26 D46 P48 | K23-P44 HydrophobicContact CG-CB 4.42Å; K23-P44 WeakPolarHBondContact CG-O 3.38Å; F26-P44 HydrophobicContact CB-CB 4.35Å; F26-P44 HydrophobicContact CB-CG 3.92Å; F26-P44 WeakPolarHBondContact O-CG 3.34Å; P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.16Å; P44-P48 WeakPolarHBondContact O-CD 3.49Å |
| 45 | A | 97.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 68.7 Ų | 68.7 | 56% | 0.562 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -31.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N43 P48 | N43-A45 PolarHBondContact O-N 3.14Å; N43-A45 PolarHBondContact OD1-N 3.25Å; A45-P48 WeakPolarHBondContact O-CD 3.44Å |
| 46 | D | 97.5 | Very high | 96.8 | Very high | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -24 | -175.7 | -57.1 | -37.7 | 0 | 0 | 0 | 112 | N43 P44 P48 G49 | N43-D46 WeakPolarHBondContact CB-OD2 3.4Å; N43-D46 PolarHBondContact ND2-OD2 2.95Å; N43-D46 PolarHBondContact O-N 3.38Å; N43-D46 VanDerWaalsContact O-N 3.08Å; P44-D46 VanDerWaalsContact C-N 3.31Å; P44-D46 PolarHBondContact O-N 3.16Å; D46-P48 VanDerWaalsContact C-CD 3.45Å; D46-G49 PolarHBondContact O-N 3.44Å; D46-G49 VanDerWaalsContact O-N 3.11Å |
| 47 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -53.3 | -42.5 | -174 | 170.1 | 0 | 0 | 0 | 0 | 114.6 | K23 F26 I42 G49 M50 F53 | K23-V47 HydrophobicContact CB-CB 4.47Å; K23-V47 HydrophobicContact CB-CG1 4.43Å; F26-V47 HydrophobicContact CD2-CG1 4.22Å; F26-V47 HydrophobicContact CD2-CG2 3.77Å; F26-V47 HydrophobicContact CE2-CG1 4.46Å; F26-V47 HydrophobicContact CE2-CG2 4.28Å; I42-V47 HydrophobicContact CG2-CG2 3.41Å; I42-V47 VanDerWaalsContact CG2-CG2 3.41Å; V47-G49 PolarHBondContact O-N 3.29Å; V47-G49 VanDerWaalsContact O-N 3.15Å; V47-M50 PolarHBondContact O-N 3.35Å; V47-F53 HydrophobicContact CB-CD2 4.31Å; V47-F53 HydrophobicContact CG1-CB 3.74Å; V47-F53 HydrophobicContact CG1-CD2 3.83Å; V47-F53 HydrophobicContact CG1-CG 3.87Å; V47-F53 HydrophobicContact CG2-CD2 4.09Å; V47-F53 HydrophobicContact CG2-CE2 4.26Å |
| 48 | P | 97.5 | Very high | 97 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 25% | 0.247 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -60.2 | -27 | -179.5 | -25.1 | 35.4 | 0 | 0 | 0 | 114.1 | K23 P44 A45 D46 Q54 | K23-P48 HydrophobicContact CB-CG 3.89Å; K23-P48 HydrophobicContact CD-CG 3.67Å; K23-P48 HydrophobicContact CG-CG 4.34Å; P44-P48 WeakPolarHBondContact O-CD 3.49Å; A45-P48 WeakPolarHBondContact O-CD 3.44Å; D46-P48 VanDerWaalsContact C-CD 3.45Å; P48-Q54 PolarHBondContact O-NE2 2.91Å |
| 49 | G | 96.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 64.2 Ų | 64.2 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -86.7 | -9.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D46 V47 | D46-G49 PolarHBondContact O-N 3.44Å; D46-G49 VanDerWaalsContact O-N 3.11Å; V47-G49 PolarHBondContact O-N 3.29Å; V47-G49 VanDerWaalsContact O-N 3.15Å |
| 50 | M | 98.2 | Very high | 97.3 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 30% | 0.3 | 35% | 0.352 | S | S | . | . | trans | -88.8 | 116 | -175.1 | -65.5 | 178 | 71.6 | 0 | 0 | 111.5 | M39 V47 K52 F53 Q54 | M39-M50 HydrophobicContact CE-CE 4Å; M39-M50 HydrophobicContact SD-CE 4.28Å; V47-M50 PolarHBondContact O-N 3.35Å; M50-K52 PolarHBondContact O-N 3.46Å; M50-K52 VanDerWaalsContact O-N 3.08Å; M50-F53 HydrophobicContact CB-CD2 3.86Å; M50-F53 HydrophobicContact CE-CD2 4.06Å; M50-F53 HydrophobicContact CE-CE2 3.67Å; M50-F53 HydrophobicContact CG-CD2 4.41Å; M50-F53 PolarHBondContact O-N 3.22Å; M50-F53 HydrophobicContact SD-CD2 3.75Å; M50-F53 HydrophobicContact SD-CE2 3.68Å; M50-Q54 WeakPolarHBondContact O-CG 3.46Å; M50-Q54 PolarHBondContact O-N 2.99Å; M50-Q54 VanDerWaalsContact O-N 3.08Å | ||
| 51 | T | 98.2 | Very high | 97.5 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 57% | 0.571 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -50.7 | -38.4 | 179.2 | -49.9 | 0 | 0 | 0 | 0 | 113.2 | F53 Q54 L55 | T51-F53 PolarHBondContact O-N 3.5Å; T51-Q54 PolarHBondContact O-N 3.19Å; T51-L55 HydrophobicContact CG2-CD1 4.1Å; T51-L55 HydrophobicContact CG2-CG 4.38Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.83Å |
| 52 | K | 97.5 | Very high | 97.7 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.6 | -50.3 | 176.4 | 177.8 | 176.2 | 177.9 | 176 | 0 | 112.1 | F37 M50 L55 L56 | F37-K52 PolarHBondContact O-NZ 2.84Å; M50-K52 PolarHBondContact O-N 3.46Å; M50-K52 VanDerWaalsContact O-N 3.08Å; K52-L55 PolarHBondContact O-N 3.18Å; K52-L56 HydrophobicContact CG-CD1 4.01Å; K52-L56 WeakPolarHBondContact O-CB 3.22Å; K52-L56 VanDerWaalsContact O-CG 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.94Å |
| 53 | F | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -80 | -27.2 | -176.7 | -64.9 | -58 | 0 | 0 | 0 | 112.7 | Y22 F26 F37 M39 I42 V47 M50 T51 L55 L56 G57 | Y22-F53 HydrophobicContact CD1-CD1 4.08Å; Y22-F53 HydrophobicContact CD2-CB 4.24Å; Y22-F53 HydrophobicContact CD2-CD1 4.27Å; Y22-F53 WeakPolarHBondContact CD2-O 3.44Å; Y22-F53 HydrophobicContact CG-CB 4.19Å; Y22-F53 AromaticContact CG-CD1 3.91Å; Y22-F53 HydrophobicContact CG-CD1 3.91Å; Y22-F53 HydrophobicContact CG-CG 4.39Å; F26-F53 AromaticContact CE2-CD1 3.78Å; F26-F53 HydrophobicContact CE2-CD1 3.78Å; F26-F53 AromaticContact CE2-CE1 3.48Å; F26-F53 HydrophobicContact CE2-CE1 3.48Å; F26-F53 VanDerWaalsContact CE2-CE1 3.48Å; F26-F53 HydrophobicContact CE2-CE2 4.25Å; F26-F53 HydrophobicContact CE2-CG 4.32Å; F26-F53 AromaticContact CE2-CZ 3.75Å; F26-F53 HydrophobicContact CE2-CZ 3.75Å; F26-F53 HydrophobicContact CZ-CD1 4.23Å; F26-F53 AromaticContact CZ-CE1 3.56Å; F26-F53 HydrophobicContact CZ-CE1 3.56Å; F26-F53 AromaticContact CZ-CZ 3.9Å; F26-F53 HydrophobicContact CZ-CZ 3.9Å; F37-F53 HydrophobicContact CB-CE1 4.38Å; F37-F53 HydrophobicContact CB-CZ 4.49Å; F37-F53 AromaticContact CD1-CE1 3.76Å; F37-F53 HydrophobicContact CD1-CE1 3.76Å; F37-F53 HydrophobicContact CE1-CE1 4.32Å; F37-F53 HydrophobicContact CG-CE1 4.1Å; M39-F53 HydrophobicContact SD-CE2 4.09Å; M39-F53 HydrophobicContact SD-CZ 3.86Å; I42-F53 HydrophobicContact CD1-CE1 4.41Å; I42-F53 HydrophobicContact CD1-CE2 4.39Å; I42-F53 HydrophobicContact CD1-CZ 3.66Å; I42-F53 HydrophobicContact CG1-CZ 4.43Å; V47-F53 HydrophobicContact CB-CD2 4.31Å; V47-F53 HydrophobicContact CG1-CB 3.74Å; V47-F53 HydrophobicContact CG1-CD2 3.83Å; V47-F53 HydrophobicContact CG1-CG 3.87Å; V47-F53 HydrophobicContact CG2-CD2 4.09Å; V47-F53 HydrophobicContact CG2-CE2 4.26Å; M50-F53 HydrophobicContact CB-CD2 3.86Å; M50-F53 HydrophobicContact CE-CD2 4.06Å; M50-F53 HydrophobicContact CE-CE2 3.67Å; M50-F53 HydrophobicContact CG-CD2 4.41Å; M50-F53 PolarHBondContact O-N 3.22Å; M50-F53 HydrophobicContact SD-CD2 3.75Å; M50-F53 HydrophobicContact SD-CE2 3.68Å; T51-F53 PolarHBondContact O-N 3.5Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L56 HydrophobicContact CD1-CD1 4.18Å; F53-L56 HydrophobicContact CE1-CD1 4.42Å; F53-G57 WeakPolarHBondContact O-CA 3.24Å; F53-G57 PolarHBondContact O-N 3.47Å |
| 54 | Q | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 50.7 Ų | 50.7 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 168.9 | -65.3 | 174.8 | -9 | 0 | 0 | 111.8 | A15 P48 M50 T51 Q58 | A15-Q54 HydrophobicContact CB-CB 4.01Å; A15-Q54 HydrophobicContact CB-CG 4.28Å; A15-Q54 WeakPolarHBondContact O-CG 3.48Å; P48-Q54 PolarHBondContact O-NE2 2.91Å; M50-Q54 WeakPolarHBondContact O-CG 3.46Å; M50-Q54 PolarHBondContact O-N 2.99Å; M50-Q54 VanDerWaalsContact O-N 3.08Å; T51-Q54 PolarHBondContact O-N 3.19Å; Q54-Q58 VanDerWaalsContact O-CG 3.26Å; Q54-Q58 WeakPolarHBondContact O-CG 3.31Å; Q54-Q58 PolarHBondContact O-N 3.28Å; Q54-Q58 VanDerWaalsContact O-N 3.15Å; Q54-Q58 PolarHBondContact O-NE2 3.42Å |
| 55 | L | 98.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.1 | -52 | 177.9 | -69.6 | 174.1 | 0 | 0 | 0 | 111.6 | T51 K52 F53 G57 Q58 D59 | T51-L55 HydrophobicContact CG2-CD1 4.1Å; T51-L55 HydrophobicContact CG2-CG 4.38Å; T51-L55 WeakPolarHBondContact O-CG 3.48Å; T51-L55 PolarHBondContact O-N 2.83Å; K52-L55 PolarHBondContact O-N 3.18Å; F53-L55 VanDerWaalsContact C-N 3.34Å; L55-G57 PolarHBondContact O-N 2.95Å; L55-Q58 WeakPolarHBondContact O-CB 3.46Å; L55-Q58 PolarHBondContact O-N 3.39Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; L55-D59 PolarHBondContact O-N 3.35Å |
| 56 | L | 97.1 | Very high | 97.6 | Very high | 60 Ų | 60 | 52 Ų | 52 | 31% | 0.314 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.8 | -39.5 | 177.4 | -70.9 | 172.8 | 0 | 0 | 0 | 111.5 | Y22 F37 K52 F53 D59 F60 | Y22-L56 HydrophobicContact CD2-CB 4.17Å; Y22-L56 VanDerWaalsContact CE2-C 3.47Å; Y22-L56 HydrophobicContact CE2-CB 3.39Å; F37-L56 HydrophobicContact CD1-CD1 4.04Å; F37-L56 HydrophobicContact CE1-CD1 4.15Å; K52-L56 HydrophobicContact CG-CD1 4.01Å; K52-L56 WeakPolarHBondContact O-CB 3.22Å; K52-L56 VanDerWaalsContact O-CG 3.31Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.94Å; F53-L56 HydrophobicContact CD1-CD1 4.18Å; F53-L56 HydrophobicContact CE1-CD1 4.42Å; L56-D59 PolarHBondContact O-N 3.33Å; L56-F60 WeakPolarHBondContact O-CB 2.95Å; L56-F60 PolarHBondContact O-N 3.27Å |
| 57 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.1 | -38.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y22 F53 L55 D59 F60 L61 | Y22-G57 VanDerWaalsContact CE2-N 3.33Å; F53-G57 WeakPolarHBondContact O-CA 3.24Å; F53-G57 PolarHBondContact O-N 3.47Å; L55-G57 PolarHBondContact O-N 2.95Å; G57-D59 VanDerWaalsContact C-N 3.34Å; G57-F60 PolarHBondContact O-N 2.93Å; G57-L61 VanDerWaalsContact O-CG 3.25Å; G57-L61 WeakPolarHBondContact O-CG 3.49Å; G57-L61 PolarHBondContact O-N 3.49Å |
| 58 | Q | 98.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 48 Ų | 48 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 171.4 | -75.5 | 171.3 | 84.7 | 0 | 0 | 111.5 | V13 N14 Q54 L55 F60 L61 R62 | V13-Q58 HydrophobicContact CG1-CB 3.84Å; V13-Q58 HydrophobicContact CG1-CG 3.97Å; N14-Q58 VanDerWaalsContact C-CG 3.41Å; N14-Q58 VanDerWaalsContact O-CG 3.22Å; N14-Q58 WeakPolarHBondContact O-CG 3.45Å; Q54-Q58 VanDerWaalsContact O-CG 3.26Å; Q54-Q58 WeakPolarHBondContact O-CG 3.31Å; Q54-Q58 PolarHBondContact O-N 3.28Å; Q54-Q58 VanDerWaalsContact O-N 3.15Å; Q54-Q58 PolarHBondContact O-NE2 3.42Å; L55-Q58 WeakPolarHBondContact O-CB 3.46Å; L55-Q58 PolarHBondContact O-N 3.39Å; L55-Q58 VanDerWaalsContact O-N 3.12Å; Q58-F60 VanDerWaalsContact C-N 3.34Å; Q58-L61 PolarHBondContact O-N 3.22Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 2.94Å |
| 59 | D | 97.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 178.5 | -67.9 | -21.6 | 0 | 0 | 0 | 111.3 | L55 L56 G57 L61 R62 Q63 | L55-D59 PolarHBondContact O-N 3.35Å; L56-D59 PolarHBondContact O-N 3.33Å; G57-D59 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 2.88Å; D59-R62 PolarHBondContact O-N 2.62Å; D59-R62 IonicContact OD1-NH1 2.62Å; D59-R62 PolarHBondContact OD1-NH1 2.9Å; D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.44Å; D59-Q63 PolarHBondContact O-N 3.44Å |
| 60 | F | 96.8 | Very high | 97.5 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 173 | -179.7 | -88.7 | 0 | 0 | 0 | 112.2 | F21 L56 G57 Q58 R62 Q63 I64 F105 | F21-F60 HydrophobicContact CD1-CB 4.39Å; F21-F60 AromaticContact CD1-CD1 3.87Å; F21-F60 HydrophobicContact CD1-CD1 3.87Å; F21-F60 HydrophobicContact CD1-CG 4.2Å; F21-F60 HydrophobicContact CD2-CD1 4.26Å; F21-F60 HydrophobicContact CD2-CE1 4.21Å; F21-F60 HydrophobicContact CE1-CB 4.02Å; F21-F60 AromaticContact CE1-CD1 3.39Å; F21-F60 HydrophobicContact CE1-CD1 3.39Å; F21-F60 HydrophobicContact CE1-CD2 4.03Å; F21-F60 AromaticContact CE1-CE1 3.84Å; F21-F60 HydrophobicContact CE1-CE1 3.84Å; F21-F60 HydrophobicContact CE1-CE2 4.4Å; F21-F60 AromaticContact CE1-CG 3.51Å; F21-F60 HydrophobicContact CE1-CG 3.51Å; F21-F60 HydrophobicContact CE1-CZ 4.31Å; F21-F60 AromaticContact CE2-CD1 3.83Å; F21-F60 HydrophobicContact CE2-CD1 3.83Å; F21-F60 AromaticContact CE2-CE1 3.49Å; F21-F60 HydrophobicContact CE2-CE1 3.49Å; F21-F60 VanDerWaalsContact CE2-CE1 3.49Å; F21-F60 HydrophobicContact CE2-CZ 4.03Å; F21-F60 HydrophobicContact CG-CD1 4.28Å; F21-F60 AromaticContact CZ-CD1 3.37Å; F21-F60 HydrophobicContact CZ-CD1 3.37Å; F21-F60 HydrophobicContact CZ-CD2 4.06Å; F21-F60 AromaticContact CZ-CE1 3.26Å; F21-F60 HydrophobicContact CZ-CE1 3.26Å; F21-F60 AromaticContact CZ-CE2 3.95Å; F21-F60 HydrophobicContact CZ-CE2 3.95Å; F21-F60 AromaticContact CZ-CG 3.79Å; F21-F60 HydrophobicContact CZ-CG 3.79Å; F21-F60 AromaticContact CZ-CZ 3.56Å; F21-F60 HydrophobicContact CZ-CZ 3.56Å; L56-F60 WeakPolarHBondContact O-CB 2.95Å; L56-F60 PolarHBondContact O-N 3.27Å; G57-F60 PolarHBondContact O-N 2.93Å; Q58-F60 VanDerWaalsContact C-N 3.34Å; F60-R62 VanDerWaalsContact C-N 3.33Å; F60-R62 PolarHBondContact O-N 3.43Å; F60-Q63 WeakPolarHBondContact O-CB 3.4Å; F60-Q63 PolarHBondContact O-N 3.29Å; F60-Q63 VanDerWaalsContact O-N 3.13Å; F60-I64 HydrophobicContact CE1-CB 4.45Å; F60-I64 HydrophobicContact CE1-CD1 4.24Å; F60-I64 HydrophobicContact CE1-CG2 4.43Å; F60-I64 HydrophobicContact CZ-CD1 4.2Å; F60-I64 PolarHBondContact O-N 2.92Å; F60-F105 AromaticContact CE1-CD2 3.73Å; F60-F105 HydrophobicContact CE1-CD2 3.73Å; F60-F105 HydrophobicContact CE1-CE2 4.34Å; F60-F105 HydrophobicContact CE1-CG 4.48Å; F60-F105 HydrophobicContact CZ-CD2 4.39Å |
| 61 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -36 | 179.4 | -68.5 | 175.4 | 0 | 0 | 0 | 112.3 | I11 V13 N17 G57 Q58 D59 I64 N65 F105 F108 | I11-L61 HydrophobicContact CG2-CD1 4.23Å; I11-L61 HydrophobicContact CG2-CD2 4.39Å; V13-L61 HydrophobicContact CG2-CB 4.04Å; N17-L61 HydrophobicContact CB-CD1 4.04Å; G57-L61 VanDerWaalsContact O-CG 3.25Å; G57-L61 WeakPolarHBondContact O-CG 3.49Å; G57-L61 PolarHBondContact O-N 3.49Å; Q58-L61 PolarHBondContact O-N 3.22Å; D59-L61 PolarHBondContact O-N 2.88Å; L61-I64 WeakPolarHBondContact O-CG2 3.46Å; L61-N65 WeakPolarHBondContact O-CB 3.29Å; L61-N65 PolarHBondContact O-N 3.34Å; L61-F105 HydrophobicContact CD2-CE2 4.33Å; L61-F108 HydrophobicContact CD2-CE1 3.72Å; L61-F108 HydrophobicContact CD2-CZ 4.29Å |
| 62 | R | 97.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 49.8 Ų | 49.8 | 45% | 0.445 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.5 | -44 | 170.9 | -68 | 177 | -168.1 | 114.8 | 5.7 | 111.1 | V13 Q58 D59 F60 N65 K66 | V13-R62 HydrophobicContact CG1-CG 3.83Å; V13-R62 HydrophobicContact CG2-CG 4.19Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 2.94Å; D59-R62 PolarHBondContact O-N 2.62Å; D59-R62 IonicContact OD1-NH1 2.62Å; D59-R62 PolarHBondContact OD1-NH1 2.9Å; F60-R62 VanDerWaalsContact C-N 3.33Å; F60-R62 PolarHBondContact O-N 3.43Å; R62-N65 PolarHBondContact O-N 3.38Å; R62-K66 WeakPolarHBondContact O-CB 3.25Å; R62-K66 PolarHBondContact O-N 3.17Å |
| 63 | Q | 97 | Very high | 97.1 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -44.9 | -176.4 | -169 | 68.5 | 66.8 | 0 | 0 | 111.6 | D59 F60 K66 F67 F84 | D59-Q63 VanDerWaalsContact O-CB 3.25Å; D59-Q63 WeakPolarHBondContact O-CB 3.44Å; D59-Q63 PolarHBondContact O-N 3.44Å; F60-Q63 WeakPolarHBondContact O-CB 3.4Å; F60-Q63 PolarHBondContact O-N 3.29Å; F60-Q63 VanDerWaalsContact O-N 3.13Å; Q63-K66 WeakPolarHBondContact O-CB 3.2Å; Q63-K66 PolarHBondContact O-N 2.89Å; Q63-F67 HydrophobicContact CG-CE1 3.91Å; Q63-F67 HydrophobicContact CG-CE2 3.8Å; Q63-F67 HydrophobicContact CG-CZ 3.43Å; Q63-F67 VanDerWaalsContact CG-CZ 3.43Å; Q63-F67 WeakPolarHBondContact O-CD1 3.46Å; Q63-F67 VanDerWaalsContact O-CG 3.24Å; Q63-F67 WeakPolarHBondContact O-CG 3.45Å; Q63-F67 PolarHBondContact O-N 3.3Å; Q63-F84 HydrophobicContact CG-CD2 4.16Å |
| 64 | I | 97 | Very high | 96.9 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68 | -36.9 | 177.3 | -160.4 | 166.8 | 0 | 0 | 0 | 111.9 | M8 F60 L61 K66 F67 V68 F105 W123 F126 F127 | M8-I64 HydrophobicContact CE-CG2 3.5Å; M8-I64 HydrophobicContact SD-CG2 3.94Å; F60-I64 HydrophobicContact CE1-CB 4.45Å; F60-I64 HydrophobicContact CE1-CD1 4.24Å; F60-I64 HydrophobicContact CE1-CG2 4.43Å; F60-I64 HydrophobicContact CZ-CD1 4.2Å; F60-I64 PolarHBondContact O-N 2.92Å; L61-I64 WeakPolarHBondContact O-CG2 3.46Å; I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 PolarHBondContact O-N 3.26Å; I64-F67 WeakPolarHBondContact O-CB 3.34Å; I64-F67 PolarHBondContact O-N 3.3Å; I64-V68 WeakPolarHBondContact O-CG2 3.08Å; I64-V68 PolarHBondContact O-N 3.46Å; I64-F105 HydrophobicContact CD1-CD1 3.74Å; I64-F105 HydrophobicContact CD1-CD2 3.8Å; I64-F105 HydrophobicContact CD1-CE1 3.7Å; I64-F105 HydrophobicContact CD1-CE2 3.75Å; I64-F105 HydrophobicContact CD1-CG 3.78Å; I64-F105 HydrophobicContact CD1-CZ 3.7Å; I64-F105 HydrophobicContact CG2-CE2 4.17Å; I64-F105 HydrophobicContact CG2-CZ 4.41Å; I64-W123 HydrophobicContact CD1-CH2 4.41Å; I64-W123 HydrophobicContact CD1-CZ3 3.97Å; I64-W123 HydrophobicContact CG1-CZ3 4.26Å; I64-F126 HydrophobicContact CD1-CE1 4.48Å; I64-F126 HydrophobicContact CG1-CE1 4.24Å; I64-F126 HydrophobicContact CG1-CZ 4.37Å; I64-F127 HydrophobicContact CD1-CZ 3.91Å |
| 65 | N | 96.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.1 | -155.5 | -7.6 | 0 | 0 | 0 | 110.7 | K5 M8 L61 R62 F67 V68 D69 | K5-N65 PolarHBondContact NZ-OD1 2.85Å; M8-N65 HydrophobicContact CE-CB 4.03Å; L61-N65 WeakPolarHBondContact O-CB 3.29Å; L61-N65 PolarHBondContact O-N 3.34Å; R62-N65 PolarHBondContact O-N 3.38Å; N65-F67 PolarHBondContact O-N 2.84Å; N65-V68 WeakPolarHBondContact O-CB 3.47Å; N65-V68 PolarHBondContact O-N 3.47Å; N65-V68 VanDerWaalsContact O-N 3.16Å; N65-D69 PolarHBondContact O-N 3.47Å |
| 66 | K | 96.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.2 | -168.4 | -179.5 | -173.3 | -163.7 | 0 | 112.3 | R62 Q63 I64 V68 D69 C70 E80 | R62-K66 WeakPolarHBondContact O-CB 3.25Å; R62-K66 PolarHBondContact O-N 3.17Å; Q63-K66 WeakPolarHBondContact O-CB 3.2Å; Q63-K66 PolarHBondContact O-N 2.89Å; I64-K66 VanDerWaalsContact C-N 3.31Å; I64-K66 PolarHBondContact O-N 3.26Å; K66-V68 VanDerWaalsContact C-N 3.32Å; K66-V68 PolarHBondContact O-N 3.03Å; K66-D69 PolarHBondContact O-N 3.22Å; K66-C70 PolarHBondContact O-N 3.07Å; K66-C70 VanDerWaalsContact O-N 3.13Å; K66-C70 PolarHBondContact O-SG 3.41Å; K66-E80 WeakPolarHBondContact CD-OE2 3.47Å; K66-E80 WeakPolarHBondContact CE-OE1 3.42Å; K66-E80 WeakPolarHBondContact CE-OE2 3.31Å; K66-E80 IonicContact NZ-OE1 2.9Å; K66-E80 PolarHBondContact NZ-OE1 3.43Å; K66-E80 IonicContact NZ-OE2 3.63Å; K66-E80 PolarHBondContact NZ-OE2 2.96Å |
| 67 | F | 97.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 174.9 | -62.3 | -22.4 | 0 | 0 | 0 | 112.3 | Q63 I64 N65 C70 A71 F77 E80 I81 F84 F126 F130 | Q63-F67 HydrophobicContact CG-CE1 3.91Å; Q63-F67 HydrophobicContact CG-CE2 3.8Å; Q63-F67 HydrophobicContact CG-CZ 3.43Å; Q63-F67 VanDerWaalsContact CG-CZ 3.43Å; Q63-F67 WeakPolarHBondContact O-CD1 3.46Å; Q63-F67 VanDerWaalsContact O-CG 3.24Å; Q63-F67 WeakPolarHBondContact O-CG 3.45Å; Q63-F67 PolarHBondContact O-N 3.3Å; I64-F67 WeakPolarHBondContact O-CB 3.34Å; I64-F67 PolarHBondContact O-N 3.3Å; N65-F67 PolarHBondContact O-N 2.84Å; F67-C70 PolarHBondContact O-N 2.83Å; F67-C70 PolarHBondContact O-SG 3.5Å; F67-A71 WeakPolarHBondContact O-CB 3.15Å; F67-A71 PolarHBondContact O-N 3.28Å; F67-F77 HydrophobicContact CB-CE2 4.05Å; F67-F77 WeakPolarHBondContact O-CD2 3.26Å; F67-E80 HydrophobicContact CD1-CB 3.9Å; F67-E80 HydrophobicContact CE1-CB 3.83Å; F67-I81 HydrophobicContact CD1-CD1 3.8Å; F67-I81 HydrophobicContact CD2-CD1 4.01Å; F67-I81 HydrophobicContact CE1-CD1 3.65Å; F67-I81 HydrophobicContact CE2-CD1 3.88Å; F67-I81 HydrophobicContact CG-CD1 3.97Å; F67-I81 HydrophobicContact CZ-CD1 3.69Å; F67-F84 HydrophobicContact CE1-CB 4.4Å; F67-F84 HydrophobicContact CE2-CD2 4.25Å; F67-F84 HydrophobicContact CE2-CG 4.41Å; F67-F84 HydrophobicContact CZ-CB 3.75Å; F67-F84 AromaticContact CZ-CD2 3.82Å; F67-F84 HydrophobicContact CZ-CD2 3.82Å; F67-F84 AromaticContact CZ-CG 3.81Å; F67-F84 HydrophobicContact CZ-CG 3.81Å; F67-F126 HydrophobicContact CB-CE2 4.06Å; F67-F126 HydrophobicContact CB-CZ 3.68Å; F67-F130 HydrophobicContact CD2-CD2 4.47Å; F67-F130 HydrophobicContact CD2-CE2 4.49Å; F67-F130 HydrophobicContact CE2-CD2 4.39Å; F67-F130 AromaticContact CE2-CE2 3.99Å; F67-F130 HydrophobicContact CE2-CE2 3.99Å |
| 68 | V | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175 | 167.5 | 0 | 0 | 0 | 0 | 111 | L4 K5 M8 I64 N65 K66 C70 A71 W123 F126 | L4-V68 HydrophobicContact CB-CG1 3.7Å; L4-V68 HydrophobicContact CB-CG2 4.01Å; L4-V68 HydrophobicContact CD1-CG2 4.35Å; K5-V68 HydrophobicContact CB-CG1 3.99Å; K5-V68 HydrophobicContact CD-CG1 4.44Å; M8-V68 HydrophobicContact CG-CG2 4.35Å; I64-V68 WeakPolarHBondContact O-CG2 3.08Å; I64-V68 PolarHBondContact O-N 3.46Å; N65-V68 WeakPolarHBondContact O-CB 3.47Å; N65-V68 PolarHBondContact O-N 3.47Å; N65-V68 VanDerWaalsContact O-N 3.16Å; K66-V68 VanDerWaalsContact C-N 3.32Å; K66-V68 PolarHBondContact O-N 3.03Å; V68-C70 VanDerWaalsContact C-N 3.27Å; V68-C70 PolarHBondContact O-N 3.02Å; V68-A71 WeakPolarHBondContact O-CB 3.48Å; V68-A71 PolarHBondContact O-N 3.22Å; V68-W123 HydrophobicContact CG2-CH2 3.8Å; V68-W123 HydrophobicContact CG2-CZ3 4.11Å; V68-F126 HydrophobicContact CG2-CE2 4.02Å; V68-F126 HydrophobicContact CG2-CZ 4.2Å |
| 69 | D | 96.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 62 Ų | 62 | 55% | 0.551 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.9 | -35 | 179.1 | -72 | -25.5 | 0 | 0 | 0 | 112.2 | K5 N65 K66 | K5-D69 VanDerWaalsContact CE-OD1 3.25Å; K5-D69 WeakPolarHBondContact CE-OD1 3.43Å; K5-D69 IonicContact NZ-OD1 3.66Å; N65-D69 PolarHBondContact O-N 3.47Å; K66-D69 PolarHBondContact O-N 3.22Å |
| 70 | C | 96.1 | Very high | 96.6 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -95.3 | 1.8 | 177.3 | 66.2 | 0 | 0 | 0 | 0 | 114.8 | K66 F67 V68 N72 N73 A76 F77 | K66-C70 PolarHBondContact O-N 3.07Å; K66-C70 VanDerWaalsContact O-N 3.13Å; K66-C70 PolarHBondContact O-SG 3.41Å; F67-C70 PolarHBondContact O-N 2.83Å; F67-C70 PolarHBondContact O-SG 3.5Å; V68-C70 VanDerWaalsContact C-N 3.27Å; V68-C70 PolarHBondContact O-N 3.02Å; C70-N72 PolarHBondContact O-N 2.9Å; C70-N73 CarbonylContact O-C 3.5Å; C70-N73 PolarHBondContact O-N 3.5Å; C70-A76 HydrophobicContact CB-CB 3.93Å; C70-F77 VanDerWaalsContact SG-CA 3.58Å |
| 71 | A | 94.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 58 Ų | 58 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F67 V68 F126 K129 | F67-A71 WeakPolarHBondContact O-CB 3.15Å; F67-A71 PolarHBondContact O-N 3.28Å; V68-A71 WeakPolarHBondContact O-CB 3.48Å; V68-A71 PolarHBondContact O-N 3.22Å; A71-F126 HydrophobicContact CB-CD2 4.36Å; A71-F126 HydrophobicContact CB-CE2 4.42Å; A71-K129 WeakPolarHBondContact O-CE 3.38Å |
| 72 | N | 94.1 | Very high | 96.6 | Very high | 158 Ų | 158 | 63.3 Ų | 63.3 | 85% | 0.845 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4.6 | 177.8 | -66.2 | -30.7 | 0 | 0 | 0 | 113.9 | C70 | C70-N72 PolarHBondContact O-N 2.9Š|
| 73 | N | 96.2 | Very high | 96.5 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | trans | -113.3 | 98.8 | 174.2 | -179.5 | -27.2 | 0 | 0 | 0 | 108.5 | C70 D75 A76 F77 | C70-N73 CarbonylContact O-C 3.5Å; C70-N73 PolarHBondContact O-N 3.5Å; N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 2.71Å; N73-D75 PolarHBondContact OD1-N 3.28Å; N73-A76 HydrophobicContact CB-CB 3.99Å; N73-A76 PolarHBondContact O-N 3.29Å; N73-A76 PolarHBondContact OD1-N 2.69Å; N73-A76 VanDerWaalsContact OD1-N 3.14Å; N73-F77 WeakPolarHBondContact O-CB 3.37Å; N73-F77 PolarHBondContact O-N 3.03Å | ||
| 74 | E | 95.1 | Very high | 96.5 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.6 | -44.4 | -172.4 | -172.8 | 65.8 | -167.6 | 0 | 0 | 113.4 | F77 K78 K129 | E74-F77 PolarHBondContact O-N 2.79Å; E74-K78 HydrophobicContact CG-CD 4.23Å; E74-K78 WeakPolarHBondContact O-CB 3.37Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 2.82Å; E74-K78 WeakPolarHBondContact OE1-CE 3.4Å; E74-K78 IonicContact OE1-NZ 3.59Å; E74-K78 PolarHBondContact OE1-NZ 3.47Å; E74-K129 IonicContact OE2-NZ 3.61Å; E74-K129 PolarHBondContact OE2-NZ 3.18Å |
| 75 | D | 96 | Very high | 96.5 | Very high | 129 Ų | 129 | 60.8 Ų | 60.8 | 69% | 0.69 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -70.1 | -43.2 | -177.2 | -67.5 | -22.6 | 0 | 0 | 0 | 111.2 | N73 K79 | N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 2.71Å; N73-D75 PolarHBondContact OD1-N 3.28Å; D75-K79 WeakPolarHBondContact O-CB 3.45Å; D75-K79 PolarHBondContact O-N 3.02Å |
| 76 | A | 97.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C70 N73 K79 E80 | C70-A76 HydrophobicContact CB-CB 3.93Å; N73-A76 HydrophobicContact CB-CB 3.99Å; N73-A76 PolarHBondContact O-N 3.29Å; N73-A76 PolarHBondContact OD1-N 2.69Å; N73-A76 VanDerWaalsContact OD1-N 3.14Å; A76-K79 PolarHBondContact O-N 2.69Å; A76-E80 VanDerWaalsContact O-CG 3.31Å; A76-E80 WeakPolarHBondContact O-CG 3.25Å; A76-E80 PolarHBondContact O-N 3.01Å; A76-E80 VanDerWaalsContact O-N 3.09Å |
| 77 | F | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -53.5 | 176.6 | -172.3 | -101.5 | 0 | 0 | 0 | 111.4 | F67 C70 N73 E74 K79 E80 I81 F126 K129 F130 A133 | F67-F77 HydrophobicContact CB-CE2 4.05Å; F67-F77 WeakPolarHBondContact O-CD2 3.26Å; C70-F77 VanDerWaalsContact SG-CA 3.58Å; N73-F77 WeakPolarHBondContact O-CB 3.37Å; N73-F77 PolarHBondContact O-N 3.03Å; E74-F77 PolarHBondContact O-N 2.79Å; F77-K79 VanDerWaalsContact C-N 3.31Å; F77-K79 PolarHBondContact O-N 2.93Å; F77-E80 PolarHBondContact O-N 3.13Å; F77-E80 VanDerWaalsContact O-N 3.13Å; F77-I81 HydrophobicContact CD1-CG1 4.02Å; F77-I81 HydrophobicContact CE1-CD1 4.32Å; F77-I81 HydrophobicContact CE1-CG1 3.72Å; F77-I81 HydrophobicContact CE2-CD1 4.29Å; F77-I81 HydrophobicContact CE2-CG1 4.43Å; F77-I81 HydrophobicContact CG-CG1 4.49Å; F77-I81 HydrophobicContact CZ-CD1 4.02Å; F77-I81 HydrophobicContact CZ-CG1 3.95Å; F77-I81 WeakPolarHBondContact O-CG1 3.37Å; F77-I81 PolarHBondContact O-N 2.83Å; F77-F126 AromaticContact CE2-CE2 3.85Å; F77-F126 HydrophobicContact CE2-CE2 3.85Å; F77-F126 HydrophobicContact CE2-CZ 4.4Å; F77-F126 HydrophobicContact CZ-CE2 4.34Å; F77-K129 HydrophobicContact CD1-CD 4.31Å; F77-K129 HydrophobicContact CD1-CG 4.46Å; F77-K129 HydrophobicContact CE1-CD 4Å; F77-K129 HydrophobicContact CE1-CG 3.88Å; F77-K129 HydrophobicContact CZ-CD 4.27Å; F77-K129 HydrophobicContact CZ-CG 4.36Å; F77-F130 HydrophobicContact CZ-CB 4.32Å; F77-A133 HydrophobicContact CD1-CB 4.4Å; F77-A133 HydrophobicContact CE1-CB 4.02Å |
| 78 | K | 96.7 | Very high | 96.2 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.6 | -43.6 | 178.7 | -80.2 | 175.1 | 172.8 | 151.6 | 0 | 112.6 | E74 E80 I81 Q82 | E74-K78 HydrophobicContact CG-CD 4.23Å; E74-K78 WeakPolarHBondContact O-CB 3.37Å; E74-K78 WeakPolarHBondContact O-CG 3.31Å; E74-K78 PolarHBondContact O-N 2.82Å; E74-K78 WeakPolarHBondContact OE1-CE 3.4Å; E74-K78 IonicContact OE1-NZ 3.59Å; E74-K78 PolarHBondContact OE1-NZ 3.47Å; K78-E80 VanDerWaalsContact C-N 3.33Å; K78-E80 PolarHBondContact O-N 3.09Å; K78-I81 PolarHBondContact O-N 2.9Å; K78-Q82 WeakPolarHBondContact O-CB 3.46Å; K78-Q82 PolarHBondContact O-N 3.28Å |
| 79 | K | 97 | Very high | 96 | Very high | 149 Ų | 149 | 68.1 Ų | 68.1 | 65% | 0.648 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.2 | -44 | 177.7 | -176.4 | 178.2 | 178.7 | 179.8 | 0 | 112 | D75 A76 F77 Q82 Q83 | D75-K79 WeakPolarHBondContact O-CB 3.45Å; D75-K79 PolarHBondContact O-N 3.02Å; A76-K79 PolarHBondContact O-N 2.69Å; F77-K79 VanDerWaalsContact C-N 3.31Å; F77-K79 PolarHBondContact O-N 2.93Å; K79-Q82 PolarHBondContact O-N 2.96Å; K79-Q83 PolarHBondContact O-N 3.15Å; K79-Q83 VanDerWaalsContact O-N 3.09Å |
| 80 | E | 97.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.3 | -69.2 | -60.1 | 150.8 | 0 | 0 | 112.1 | K66 F67 A76 F77 K78 Q83 F84 | K66-E80 WeakPolarHBondContact CD-OE2 3.47Å; K66-E80 WeakPolarHBondContact CE-OE1 3.42Å; K66-E80 WeakPolarHBondContact CE-OE2 3.31Å; K66-E80 IonicContact NZ-OE1 2.9Å; K66-E80 PolarHBondContact NZ-OE1 3.43Å; K66-E80 IonicContact NZ-OE2 3.63Å; K66-E80 PolarHBondContact NZ-OE2 2.96Å; F67-E80 HydrophobicContact CD1-CB 3.9Å; F67-E80 HydrophobicContact CE1-CB 3.83Å; A76-E80 VanDerWaalsContact O-CG 3.31Å; A76-E80 WeakPolarHBondContact O-CG 3.25Å; A76-E80 PolarHBondContact O-N 3.01Å; A76-E80 VanDerWaalsContact O-N 3.09Å; F77-E80 PolarHBondContact O-N 3.13Å; F77-E80 VanDerWaalsContact O-N 3.13Å; K78-E80 VanDerWaalsContact C-N 3.33Å; K78-E80 PolarHBondContact O-N 3.09Å; E80-Q83 PolarHBondContact O-N 3.45Å; E80-F84 WeakPolarHBondContact O-CB 3.48Å; E80-F84 PolarHBondContact O-N 3.32Å |
| 81 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66 | -41 | 175.4 | -59.8 | -44.8 | 0 | 0 | 0 | 111.5 | F67 F77 K78 Q83 F84 V85 F130 A133 V134 | F67-I81 HydrophobicContact CD1-CD1 3.8Å; F67-I81 HydrophobicContact CD2-CD1 4.01Å; F67-I81 HydrophobicContact CE1-CD1 3.65Å; F67-I81 HydrophobicContact CE2-CD1 3.88Å; F67-I81 HydrophobicContact CG-CD1 3.97Å; F67-I81 HydrophobicContact CZ-CD1 3.69Å; F77-I81 HydrophobicContact CD1-CG1 4.02Å; F77-I81 HydrophobicContact CE1-CD1 4.32Å; F77-I81 HydrophobicContact CE1-CG1 3.72Å; F77-I81 HydrophobicContact CE2-CD1 4.29Å; F77-I81 HydrophobicContact CE2-CG1 4.43Å; F77-I81 HydrophobicContact CG-CG1 4.49Å; F77-I81 HydrophobicContact CZ-CD1 4.02Å; F77-I81 HydrophobicContact CZ-CG1 3.95Å; F77-I81 WeakPolarHBondContact O-CG1 3.37Å; F77-I81 PolarHBondContact O-N 2.83Å; K78-I81 PolarHBondContact O-N 2.9Å; I81-Q83 VanDerWaalsContact C-N 3.34Å; I81-Q83 PolarHBondContact O-N 2.87Å; I81-F84 WeakPolarHBondContact O-CB 3.42Å; I81-F84 PolarHBondContact O-N 2.86Å; I81-V85 HydrophobicContact CG2-CG2 4.18Å; I81-V85 WeakPolarHBondContact O-CG2 3.35Å; I81-V85 PolarHBondContact O-N 3.42Å; I81-F130 HydrophobicContact CD1-CD2 3.53Å; I81-F130 HydrophobicContact CD1-CE2 3.84Å; I81-F130 HydrophobicContact CG1-CD2 4.43Å; I81-A133 HydrophobicContact CB-CB 4.04Å; I81-A133 HydrophobicContact CG1-CB 3.96Å; I81-A133 HydrophobicContact CG2-CB 3.8Å; I81-V134 HydrophobicContact CG2-CB 4.42Å; I81-V134 HydrophobicContact CG2-CG2 3.65Å |
| 82 | Q | 96.5 | Very high | 95.7 | Very high | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 178.1 | -172.4 | -178.1 | 13.1 | 0 | 0 | 111.8 | K78 K79 F84 V85 T86 | K78-Q82 WeakPolarHBondContact O-CB 3.46Å; K78-Q82 PolarHBondContact O-N 3.28Å; K79-Q82 PolarHBondContact O-N 2.96Å; Q82-F84 VanDerWaalsContact C-N 3.34Å; Q82-V85 PolarHBondContact O-N 3.23Å; Q82-T86 WeakPolarHBondContact O-CB 3.48Å; Q82-T86 PolarHBondContact O-N 2.97Å; Q82-T86 PolarHBondContact O-OG1 3.12Å |
| 83 | Q | 96.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 74.5 Ų | 74.5 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.9 | -175.8 | 61.9 | 63.8 | 0 | 0 | 111.1 | K79 E80 I81 T86 N87 | K79-Q83 PolarHBondContact O-N 3.15Å; K79-Q83 VanDerWaalsContact O-N 3.09Å; E80-Q83 PolarHBondContact O-N 3.45Å; I81-Q83 VanDerWaalsContact C-N 3.34Å; I81-Q83 PolarHBondContact O-N 2.87Å; Q83-T86 PolarHBondContact O-N 3.41Å; Q83-N87 PolarHBondContact NE2-OD1 3.15Å; Q83-N87 VanDerWaalsContact O-CG 3.23Å; Q83-N87 PolarHBondContact O-N 3.31Å; Q83-N87 PolarHBondContact O-OD1 3.13Å |
| 84 | F | 97 | Very high | 95.7 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 176.5 | 170 | -91.6 | 0 | 0 | 0 | 112 | Q63 F67 E80 I81 Q82 T86 N87 H88 L98 F130 | Q63-F84 HydrophobicContact CG-CD2 4.16Å; F67-F84 HydrophobicContact CE1-CB 4.4Å; F67-F84 HydrophobicContact CE2-CD2 4.25Å; F67-F84 HydrophobicContact CE2-CG 4.41Å; F67-F84 HydrophobicContact CZ-CB 3.75Å; F67-F84 AromaticContact CZ-CD2 3.82Å; F67-F84 HydrophobicContact CZ-CD2 3.82Å; F67-F84 AromaticContact CZ-CG 3.81Å; F67-F84 HydrophobicContact CZ-CG 3.81Å; E80-F84 WeakPolarHBondContact O-CB 3.48Å; E80-F84 PolarHBondContact O-N 3.32Å; I81-F84 WeakPolarHBondContact O-CB 3.42Å; I81-F84 PolarHBondContact O-N 2.86Å; Q82-F84 VanDerWaalsContact C-N 3.34Å; F84-T86 VanDerWaalsContact C-N 3.34Å; F84-T86 PolarHBondContact O-N 2.82Å; F84-N87 PolarHBondContact O-N 2.91Å; F84-H88 AromaticContact CD2-CE1 3.42Å; F84-H88 VanDerWaalsContact CD2-CE1 3.42Å; F84-H88 WeakPolarHBondContact CD2-CE1 3.47Å; F84-H88 AromaticContact CD2-ND1 3.65Å; F84-H88 AromaticContact CE1-ND1 3.9Å; F84-H88 AromaticContact CE2-CE1 3Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.5Å; F84-H88 AromaticContact CE2-ND1 3.54Å; F84-H88 AromaticContact CE2-NE2 3.7Å; F84-H88 AromaticContact CG-ND1 3.91Å; F84-H88 AromaticContact CZ-CE1 3.38Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.49Å; F84-H88 AromaticContact CZ-ND1 3.65Å; F84-H88 AromaticContact CZ-NE2 3.76Å; F84-H88 PolarHBondContact O-N 2.86Å; F84-H88 PolarHBondContact O-ND1 2.79Å; F84-L98 HydrophobicContact CE1-CD1 3.78Å; F84-L98 HydrophobicContact CE1-CD2 3.59Å; F84-L98 HydrophobicContact CE1-CG 4.33Å; F84-L98 HydrophobicContact CZ-CD2 3.6Å; F84-F130 HydrophobicContact CD1-CE2 4.16Å; F84-F130 HydrophobicContact CD1-CZ 4.27Å; F84-F130 AromaticContact CE1-CE2 3.95Å; F84-F130 HydrophobicContact CE1-CE2 3.95Å; F84-F130 AromaticContact CE1-CZ 3.64Å; F84-F130 HydrophobicContact CE1-CZ 3.64Å; F84-F130 HydrophobicContact CZ-CE2 4.5Å; F84-F130 HydrophobicContact CZ-CZ 4.15Å |
| 85 | V | 96.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | I81 Q82 N87 H88 K89 V134 C137 | I81-V85 HydrophobicContact CG2-CG2 4.18Å; I81-V85 WeakPolarHBondContact O-CG2 3.35Å; I81-V85 PolarHBondContact O-N 3.42Å; Q82-V85 PolarHBondContact O-N 3.23Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 3.23Å; V85-H88 PolarHBondContact O-N 3.43Å; V85-H88 VanDerWaalsContact O-N 3.12Å; V85-K89 HydrophobicContact CG1-CD 4.17Å; V85-K89 HydrophobicContact CG1-CG 4.34Å; V85-K89 WeakPolarHBondContact O-CG 3.03Å; V85-K89 PolarHBondContact O-N 2.98Å; V85-V134 HydrophobicContact CG2-CB 4.21Å; V85-V134 HydrophobicContact CG2-CG1 4.07Å; V85-V134 HydrophobicContact CG2-CG2 3.95Å; V85-C137 HydrophobicContact CB-CB 4.15Å; V85-C137 HydrophobicContact CG1-CB 4.02Å; V85-C137 HydrophobicContact CG2-CB 4.2Å |
| 86 | T | 95.9 | Very high | 95.6 | Very high | 65 Ų | 65 | 71.2 Ų | 71.2 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | Q82 Q83 F84 H88 K89 | Q82-T86 WeakPolarHBondContact O-CB 3.48Å; Q82-T86 PolarHBondContact O-N 2.97Å; Q82-T86 PolarHBondContact O-OG1 3.12Å; Q83-T86 PolarHBondContact O-N 3.41Å; F84-T86 VanDerWaalsContact C-N 3.34Å; F84-T86 PolarHBondContact O-N 2.82Å; T86-H88 VanDerWaalsContact C-N 3.33Å; T86-H88 PolarHBondContact O-N 3.43Å; T86-K89 PolarHBondContact O-N 3.15Å |
| 87 | N | 94.5 | Very high | 95.5 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 176.8 | -66.6 | -9.3 | 0 | 0 | 0 | 111.8 | Q83 F84 V85 N90 Y91 | Q83-N87 PolarHBondContact NE2-OD1 3.15Å; Q83-N87 VanDerWaalsContact O-CG 3.23Å; Q83-N87 PolarHBondContact O-N 3.31Å; Q83-N87 PolarHBondContact O-OD1 3.13Å; F84-N87 PolarHBondContact O-N 2.91Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 3.23Å; N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.84Å; N87-Y91 VanDerWaalsContact O-CD2 3.23Å; N87-Y91 WeakPolarHBondContact O-CD2 3.36Å; N87-Y91 WeakPolarHBondContact O-CE2 3.14Å |
| 88 | H | 95 | Very high | 95.3 | Very high | 54 Ų | 54 | 72.3 Ų | 72.3 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -75.8 | -27.8 | -179.2 | -76 | 78.5 | 0 | 0 | 0 | 113.5 | F84 V85 T86 N90 Y91 N92 V93 | F84-H88 AromaticContact CD2-CE1 3.42Å; F84-H88 VanDerWaalsContact CD2-CE1 3.42Å; F84-H88 WeakPolarHBondContact CD2-CE1 3.47Å; F84-H88 AromaticContact CD2-ND1 3.65Å; F84-H88 AromaticContact CE1-ND1 3.9Å; F84-H88 AromaticContact CE2-CE1 3Å; F84-H88 WeakPolarHBondContact CE2-CE1 3.5Å; F84-H88 AromaticContact CE2-ND1 3.54Å; F84-H88 AromaticContact CE2-NE2 3.7Å; F84-H88 AromaticContact CG-ND1 3.91Å; F84-H88 AromaticContact CZ-CE1 3.38Å; F84-H88 WeakPolarHBondContact CZ-CE1 3.49Å; F84-H88 AromaticContact CZ-ND1 3.65Å; F84-H88 AromaticContact CZ-NE2 3.76Å; F84-H88 PolarHBondContact O-N 2.86Å; F84-H88 PolarHBondContact O-ND1 2.79Å; V85-H88 PolarHBondContact O-N 3.43Å; V85-H88 VanDerWaalsContact O-N 3.12Å; T86-H88 VanDerWaalsContact C-N 3.33Å; T86-H88 PolarHBondContact O-N 3.43Å; H88-N90 PolarHBondContact O-N 3.11Å; H88-Y91 PolarHBondContact O-N 3.24Å; H88-N92 PolarHBondContact O-N 3.45Å; H88-V93 CarbonylContact C-O 3.59Å; H88-V93 HydrophobicContact CB-CB 4.02Å; H88-V93 HydrophobicContact CB-CG1 4.16Å; H88-V93 PolarHBondContact O-N 3.38Å; H88-V93 VanDerWaalsContact O-N 3.12Å |
| 89 | K | 93.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.2 | -35.3 | 171.7 | -78.3 | 173.4 | 177.8 | 169.5 | 0 | 111.5 | V85 T86 Y91 N92 C137 | V85-K89 HydrophobicContact CG1-CD 4.17Å; V85-K89 HydrophobicContact CG1-CG 4.34Å; V85-K89 WeakPolarHBondContact O-CG 3.03Å; V85-K89 PolarHBondContact O-N 2.98Å; T86-K89 PolarHBondContact O-N 3.15Å; K89-Y91 PolarHBondContact O-N 2.95Å; K89-Y91 VanDerWaalsContact O-N 3.13Å; K89-N92 PolarHBondContact O-N 3.47Å; K89-N92 VanDerWaalsContact O-N 3.09Å; K89-C137 PolarHBondContact NZ-O 2.99Å |
| 90 | N | 93.1 | Very high | 94.9 | Very high | 125 Ų | 125 | 70 Ų | 70 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.5 | 176.2 | -63.2 | -31 | 0 | 0 | 0 | 114 | N87 H88 | N87-N90 WeakPolarHBondContact O-CB 3.41Å; N87-N90 PolarHBondContact O-N 2.84Å; H88-N90 PolarHBondContact O-N 3.11Å |
| 91 | Y | 93.5 | Very high | 94.6 | Very high | 142 Ų | 142 | 68.8 Ų | 68.8 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | 10.7 | 178.9 | -56.7 | -78.4 | 0 | 0 | 0 | 112.6 | F36 N87 H88 K89 V93 | F36-Y91 WeakPolarHBondContact CD1-O 3.44Å; N87-Y91 VanDerWaalsContact O-CD2 3.23Å; N87-Y91 WeakPolarHBondContact O-CD2 3.36Å; N87-Y91 WeakPolarHBondContact O-CE2 3.14Å; H88-Y91 PolarHBondContact O-N 3.24Å; K89-Y91 PolarHBondContact O-N 2.95Å; K89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-V93 PolarHBondContact O-N 2.89Å |
| 92 | N | 93.6 | Very high | 94.5 | Very high | 137 Ų | 137 | 71.2 Ų | 71.2 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 32.4 | -173.8 | -52.9 | -66.3 | 0 | 0 | 0 | 113.4 | F36 H88 K89 | F36-N92 WeakPolarHBondContact CE1-O 3.45Å; H88-N92 PolarHBondContact O-N 3.45Å; K89-N92 PolarHBondContact O-N 3.47Å; K89-N92 VanDerWaalsContact O-N 3.09Å |
| 93 | V | 95.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 12% | 0.121 | 34% | 0.344 | C | S | . | . | trans | -99.5 | 114.5 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 108.3 | F36 H88 Y91 E97 L98 | F36-V93 HydrophobicContact CB-CG2 3.97Å; F36-V93 HydrophobicContact CD1-CG2 3.71Å; F36-V93 HydrophobicContact CD2-CG2 4.26Å; F36-V93 HydrophobicContact CE1-CG2 4.22Å; F36-V93 HydrophobicContact CG-CG2 3.73Å; H88-V93 CarbonylContact C-O 3.59Å; H88-V93 HydrophobicContact CB-CB 4.02Å; H88-V93 HydrophobicContact CB-CG1 4.16Å; H88-V93 PolarHBondContact O-N 3.38Å; H88-V93 VanDerWaalsContact O-N 3.12Å; Y91-V93 PolarHBondContact O-N 2.89Å; V93-E97 HydrophobicContact CG1-CB 3.84Å; V93-L98 HydrophobicContact CG1-CD2 3.98Å; V93-L98 HydrophobicContact CG1-CG 4.02Å | ||
| 94 | G | 94.3 | Very high | 94.5 | Very high | 20 Ų | 20 | 63.7 Ų | 63.7 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | trans | -111.5 | -171 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | K96 E97 L98 | G94-K96 VanDerWaalsContact C-N 3.27Å; G94-K96 PolarHBondContact O-N 3.29Å; G94-E97 WeakPolarHBondContact CA-OE2 3.08Å; G94-E97 PolarHBondContact N-OE2 3.27Å; G94-E97 PolarHBondContact O-N 3.47Å; G94-E97 VanDerWaalsContact O-N 3.14Å; G94-L98 WeakPolarHBondContact O-CG 3.48Å; G94-L98 PolarHBondContact O-N 3.05Å | ||
| 95 | P | 94.7 | Very high | 94.6 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.2 | -42.2 | 179.4 | -26.2 | 34 | 0 | 0 | 0 | 113.1 | E97 L98 E99 M131 V134 | P95-E97 VanDerWaalsContact C-N 3.28Å; P95-E97 PolarHBondContact O-N 2.82Å; P95-L98 PolarHBondContact O-N 3.44Å; P95-L98 VanDerWaalsContact O-N 3.1Å; P95-E99 PolarHBondContact O-N 3.03Å; P95-M131 HydrophobicContact CB-CE 4.29Å; P95-M131 WeakPolarHBondContact O-CE 3.39Å; P95-V134 HydrophobicContact CB-CG1 4Å; P95-V134 HydrophobicContact CG-CG1 3.98Å |
| 96 | K | 94 | Very high | 94.7 | Very high | 153 Ų | 153 | 63.3 Ų | 63.3 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -57.4 | -40.9 | 179.2 | -177.6 | -176.5 | 177.9 | -176.5 | 0 | 112.4 | G94 | G94-K96 VanDerWaalsContact C-N 3.27Å; G94-K96 PolarHBondContact O-N 3.29Å |
| 97 | E | 94.7 | Very high | 94.8 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.4 | -35.8 | 178.4 | -68 | 67 | -143.6 | 0 | 0 | 111.8 | Y33 F36 V93 G94 P95 E99 K100 | Y33-E97 HydrophobicContact CE1-CG 4.38Å; Y33-E97 HydrophobicContact CE2-CB 4.49Å; Y33-E97 WeakPolarHBondContact OH-CA 3.36Å; Y33-E97 PolarHBondContact OH-O 3.17Å; F36-E97 HydrophobicContact CE1-CG 4.4Å; F36-E97 HydrophobicContact CE2-CB 4.44Å; F36-E97 HydrophobicContact CE2-CG 3.57Å; F36-E97 HydrophobicContact CZ-CG 3.45Å; F36-E97 VanDerWaalsContact CZ-CG 3.45Å; V93-E97 HydrophobicContact CG1-CB 3.84Å; G94-E97 WeakPolarHBondContact CA-OE2 3.08Å; G94-E97 PolarHBondContact N-OE2 3.27Å; G94-E97 PolarHBondContact O-N 3.47Å; G94-E97 VanDerWaalsContact O-N 3.14Å; P95-E97 VanDerWaalsContact C-N 3.28Å; P95-E97 PolarHBondContact O-N 2.82Å; E97-E99 VanDerWaalsContact C-N 3.3Å; E97-E99 PolarHBondContact O-N 2.94Å; E97-K100 PolarHBondContact O-N 3.09Å |
| 98 | L | 95.1 | Very high | 94.9 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.2 | -19.7 | -179.8 | -68.8 | 171 | 0 | 0 | 0 | 113.7 | F84 V93 G94 P95 K100 A101 F130 M131 V134 | F84-L98 HydrophobicContact CE1-CD1 3.78Å; F84-L98 HydrophobicContact CE1-CD2 3.59Å; F84-L98 HydrophobicContact CE1-CG 4.33Å; F84-L98 HydrophobicContact CZ-CD2 3.6Å; V93-L98 HydrophobicContact CG1-CD2 3.98Å; V93-L98 HydrophobicContact CG1-CG 4.02Å; G94-L98 WeakPolarHBondContact O-CG 3.48Å; G94-L98 PolarHBondContact O-N 3.05Å; P95-L98 PolarHBondContact O-N 3.44Å; P95-L98 VanDerWaalsContact O-N 3.1Å; L98-K100 PolarHBondContact O-N 3.15Å; L98-K100 VanDerWaalsContact O-N 3.09Å; L98-A101 WeakPolarHBondContact O-CB 3.37Å; L98-A101 PolarHBondContact O-N 2.76Å; L98-F130 HydrophobicContact CB-CE1 4.48Å; L98-M131 HydrophobicContact CB-SD 4.27Å; L98-V134 HydrophobicContact CD1-CG1 3.69Å; L98-V134 HydrophobicContact CD1-CG2 4.22Å |
| 99 | E | 92.7 | Very high | 95.1 | Very high | 113 Ų | 113 | 57.5 Ų | 57.5 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -23.8 | 172.5 | -74.5 | 175.2 | -178.1 | 0 | 0 | 113.2 | P95 E97 A101 P103 M131 | P95-E99 PolarHBondContact O-N 3.03Å; E97-E99 VanDerWaalsContact C-N 3.3Å; E97-E99 PolarHBondContact O-N 2.94Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-P103 WeakPolarHBondContact O-CD 3Å; E99-M131 HydrophobicContact CG-CE 3.73Å |
| 100 | K | 90.9 | Very high | 95.2 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.4 | 177 | -58.5 | -55.3 | -179.6 | -169.2 | 0 | 113.8 | Y33 E97 L98 A104 | Y33-K100 HydrophobicContact CE2-CB 4.05Å; Y33-K100 HydrophobicContact CE2-CG 4Å; Y33-K100 WeakPolarHBondContact OH-CG 3.39Å; E97-K100 PolarHBondContact O-N 3.09Å; L98-K100 PolarHBondContact O-N 3.15Å; L98-K100 VanDerWaalsContact O-N 3.09Å; K100-A104 WeakPolarHBondContact O-CB 3.42Å; K100-A104 PolarHBondContact O-N 3.13Å |
| 101 | A | 91.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L98 E99 F105 F127 | L98-A101 WeakPolarHBondContact O-CB 3.37Å; L98-A101 PolarHBondContact O-N 2.76Å; E99-A101 VanDerWaalsContact C-N 3.29Å; A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 3.5Å; A101-F127 HydrophobicContact CB-CE1 4.22Å |
| 102 | E | 96.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 24% | 0.238 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.7 | -56.9 | -179.7 | 173.3 | -179 | -171.6 | 0 | 0 | 112.1 | A104 F105 M106 H124 F127 | E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.22Å; E102-F105 PolarHBondContact O-N 2.74Å; E102-M106 HydrophobicContact CG-CG 4.06Å; E102-M106 VanDerWaalsContact O-CB 3.31Å; E102-M106 WeakPolarHBondContact O-CB 3.39Å; E102-M106 VanDerWaalsContact O-CG 3.28Å; E102-M106 WeakPolarHBondContact O-CG 3.4Å; E102-M106 PolarHBondContact O-N 2.98Å; E102-H124 WeakPolarHBondContact OE1-CA 3.48Å; E102-H124 IonicContact OE1-CE1 2.69Å; E102-H124 IonicContact OE1-CG 3.83Å; E102-H124 IonicContact OE1-ND1 2.79Å; E102-H124 PolarHBondContact OE1-ND1 3.04Å; E102-H124 IonicContact OE2-ND1 2.69Å; E102-F127 HydrophobicContact CB-CB 3.83Å; E102-F127 HydrophobicContact CB-CD1 3.75Å; E102-F127 HydrophobicContact CB-CD2 3.71Å; E102-F127 HydrophobicContact CB-CE1 4.2Å; E102-F127 HydrophobicContact CB-CE2 4.18Å; E102-F127 HydrophobicContact CB-CG 3.49Å; E102-F127 VanDerWaalsContact CB-CG 3.49Å; E102-F127 HydrophobicContact CB-CZ 4.4Å; E102-F127 HydrophobicContact CG-CB 3.98Å; E102-F127 HydrophobicContact CG-CD2 3.63Å; E102-F127 HydrophobicContact CG-CE2 4.24Å; E102-F127 HydrophobicContact CG-CG 3.82Å |
| 103 | P | 96.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 179.9 | -26.5 | 34.9 | 0 | 0 | 0 | 113.4 | V28 E99 T107 | V28-P103 HydrophobicContact CG1-CB 3.85Å; E99-P103 WeakPolarHBondContact O-CD 3Å; P103-T107 WeakPolarHBondContact O-CB 3.37Å; P103-T107 PolarHBondContact O-N 3.32Å; P103-T107 PolarHBondContact O-OG1 3.09Å |
| 104 | A | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -47.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F25 V28 K100 E102 T107 F108 | F25-A104 HydrophobicContact CB-CB 4.37Å; F25-A104 HydrophobicContact CD2-CB 3.78Å; F25-A104 HydrophobicContact CG-CB 4.48Å; V28-A104 HydrophobicContact CB-CB 4.47Å; K100-A104 WeakPolarHBondContact O-CB 3.42Å; K100-A104 PolarHBondContact O-N 3.13Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.22Å; A104-T107 PolarHBondContact O-N 3.42Å; A104-F108 PolarHBondContact O-N 3.43Å; A104-F108 VanDerWaalsContact O-N 3.07Å |
| 105 | F | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 179.6 | -178.5 | -103.3 | 0 | 0 | 0 | 112 | M8 F21 F60 L61 I64 A101 E102 T107 F108 L109 W123 F127 | M8-F105 HydrophobicContact SD-CE2 4.35Å; M8-F105 HydrophobicContact SD-CZ 3.65Å; F21-F105 HydrophobicContact CE2-CB 4.38Å; F21-F105 HydrophobicContact CE2-CD2 4.22Å; F60-F105 AromaticContact CE1-CD2 3.73Å; F60-F105 HydrophobicContact CE1-CD2 3.73Å; F60-F105 HydrophobicContact CE1-CE2 4.34Å; F60-F105 HydrophobicContact CE1-CG 4.48Å; F60-F105 HydrophobicContact CZ-CD2 4.39Å; L61-F105 HydrophobicContact CD2-CE2 4.33Å; I64-F105 HydrophobicContact CD1-CD1 3.74Å; I64-F105 HydrophobicContact CD1-CD2 3.8Å; I64-F105 HydrophobicContact CD1-CE1 3.7Å; I64-F105 HydrophobicContact CD1-CE2 3.75Å; I64-F105 HydrophobicContact CD1-CG 3.78Å; I64-F105 HydrophobicContact CD1-CZ 3.7Å; I64-F105 HydrophobicContact CG2-CE2 4.17Å; I64-F105 HydrophobicContact CG2-CZ 4.41Å; A101-F105 WeakPolarHBondContact O-CB 3.38Å; A101-F105 PolarHBondContact O-N 3.5Å; E102-F105 PolarHBondContact O-N 2.74Å; F105-T107 PolarHBondContact O-N 3.38Å; F105-F108 HydrophobicContact CD2-CD1 4.24Å; F105-F108 HydrophobicContact CE2-CD1 4.19Å; F105-F108 WeakPolarHBondContact O-CB 3.31Å; F105-F108 PolarHBondContact O-N 2.78Å; F105-L109 HydrophobicContact CE1-CB 4.38Å; F105-L109 HydrophobicContact CE1-CD2 4.1Å; F105-L109 WeakPolarHBondContact O-CB 3.5Å; F105-L109 PolarHBondContact O-N 3.47Å; F105-W123 HydrophobicContact CD1-CE3 4.21Å; F105-W123 HydrophobicContact CD1-CZ3 4.17Å; F105-W123 HydrophobicContact CE1-CD2 4.03Å; F105-W123 AromaticContact CE1-CE3 3.75Å; F105-W123 HydrophobicContact CE1-CE3 3.75Å; F105-W123 AromaticContact CE1-CH2 3.44Å; F105-W123 HydrophobicContact CE1-CH2 3.44Å; F105-W123 VanDerWaalsContact CE1-CH2 3.44Å; F105-W123 AromaticContact CE1-CZ2 3.74Å; F105-W123 HydrophobicContact CE1-CZ2 3.74Å; F105-W123 AromaticContact CE1-CZ3 3.46Å; F105-W123 HydrophobicContact CE1-CZ3 3.46Å; F105-W123 VanDerWaalsContact CE1-CZ3 3.46Å; F105-W123 AromaticContact CZ-CH2 3.8Å; F105-W123 HydrophobicContact CZ-CH2 3.8Å; F105-W123 HydrophobicContact CZ-CZ2 4.13Å; F105-W123 HydrophobicContact CZ-CZ3 4.19Å; F105-F127 HydrophobicContact CB-CE2 4.42Å; F105-F127 HydrophobicContact CB-CZ 3.89Å; F105-F127 AromaticContact CD1-CE2 3.74Å; F105-F127 HydrophobicContact CD1-CE2 3.74Å; F105-F127 AromaticContact CD1-CZ 3.74Å; F105-F127 HydrophobicContact CD1-CZ 3.74Å; F105-F127 HydrophobicContact CG-CE2 4.45Å; F105-F127 HydrophobicContact CG-CZ 4.05Å |
| 106 | M | 98.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 178.2 | -71.7 | -55.7 | -65.7 | 0 | 0 | 112.3 | E102 F108 L109 E110 V115 R120 W123 | E102-M106 HydrophobicContact CG-CG 4.06Å; E102-M106 VanDerWaalsContact O-CB 3.31Å; E102-M106 WeakPolarHBondContact O-CB 3.39Å; E102-M106 VanDerWaalsContact O-CG 3.28Å; E102-M106 WeakPolarHBondContact O-CG 3.4Å; E102-M106 PolarHBondContact O-N 2.98Å; M106-F108 VanDerWaalsContact C-N 3.31Å; M106-F108 PolarHBondContact O-N 2.93Å; M106-L109 PolarHBondContact O-N 2.98Å; M106-L109 HydrophobicContact SD-CD2 4.2Å; M106-E110 VanDerWaalsContact O-CB 3.28Å; M106-E110 WeakPolarHBondContact O-CB 3.32Å; M106-E110 PolarHBondContact O-N 3.05Å; M106-V115 HydrophobicContact CE-CG1 4Å; M106-V115 HydrophobicContact CE-CG2 4.4Å; M106-R120 HydrophobicContact CE-CB 4.35Å; M106-R120 HydrophobicContact CE-CG 4.07Å; M106-W123 HydrophobicContact CE-CB 3.93Å; M106-W123 HydrophobicContact CE-CG 4.27Å; M106-W123 HydrophobicContact SD-CB 3.38Å; M106-W123 WeakPolarHBondContact SD-CB 3.39Å; M106-W123 HydrophobicContact SD-CD2 4.3Å; M106-W123 HydrophobicContact SD-CG 3.63Å |
| 107 | T | 97.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | T24 V28 P103 A104 F105 S111 | T24-T107 HydrophobicContact CG2-CG2 3.59Å; V28-T107 HydrophobicContact CG2-CG2 4.24Å; P103-T107 WeakPolarHBondContact O-CB 3.37Å; P103-T107 PolarHBondContact O-N 3.32Å; P103-T107 PolarHBondContact O-OG1 3.09Å; A104-T107 PolarHBondContact O-N 3.42Å; F105-T107 PolarHBondContact O-N 3.38Å; T107-S111 PolarHBondContact O-N 3.24Å; T107-S111 VanDerWaalsContact O-N 3.16Å |
| 108 | F | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.3 | -51.6 | 176.5 | 166.2 | -105 | 0 | 0 | 0 | 111.2 | I11 L20 F21 T24 L61 A104 F105 M106 E110 S111 M112 | I11-F108 HydrophobicContact CD1-CE1 3.97Å; I11-F108 HydrophobicContact CG2-CE1 3.99Å; I11-F108 HydrophobicContact CG2-CZ 3.9Å; L20-F108 HydrophobicContact CB-CE2 4.17Å; F21-F108 HydrophobicContact CB-CD1 4.44Å; F21-F108 HydrophobicContact CB-CD2 4.04Å; F21-F108 HydrophobicContact CB-CE1 4.44Å; F21-F108 HydrophobicContact CB-CE2 4.05Å; F21-F108 HydrophobicContact CB-CG 4.24Å; F21-F108 HydrophobicContact CB-CZ 4.25Å; F21-F108 HydrophobicContact CD2-CB 4.1Å; F21-F108 HydrophobicContact CD2-CD1 4.01Å; F21-F108 AromaticContact CD2-CG 3.97Å; F21-F108 HydrophobicContact CD2-CG 3.97Å; T24-F108 HydrophobicContact CG2-CB 4.05Å; L61-F108 HydrophobicContact CD2-CE1 3.72Å; L61-F108 HydrophobicContact CD2-CZ 4.29Å; A104-F108 PolarHBondContact O-N 3.43Å; A104-F108 VanDerWaalsContact O-N 3.07Å; F105-F108 HydrophobicContact CD2-CD1 4.24Å; F105-F108 HydrophobicContact CE2-CD1 4.19Å; F105-F108 WeakPolarHBondContact O-CB 3.31Å; F105-F108 PolarHBondContact O-N 2.78Å; M106-F108 VanDerWaalsContact C-N 3.31Å; M106-F108 PolarHBondContact O-N 2.93Å; F108-E110 VanDerWaalsContact C-N 3.3Å; F108-E110 PolarHBondContact O-N 3.47Å; F108-S111 PolarHBondContact O-N 3.43Å; F108-S111 VanDerWaalsContact O-N 3.14Å; F108-S111 PolarHBondContact O-OG 3.03Å; F108-M112 HydrophobicContact CD2-CG 4.01Å; F108-M112 HydrophobicContact CE1-CG 4.3Å; F108-M112 HydrophobicContact CE2-CG 3.59Å; F108-M112 HydrophobicContact CE2-SD 4.05Å; F108-M112 HydrophobicContact CZ-CG 3.76Å; F108-M112 HydrophobicContact CZ-SD 4.49Å; F108-M112 WeakPolarHBondContact O-CG 3.34Å; F108-M112 PolarHBondContact O-N 3.45Å; F108-M112 VanDerWaalsContact O-N 3.1Å |
| 109 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 179.5 | 179.1 | 61.8 | 0 | 0 | 0 | 111.8 | Q7 I11 F105 M106 S111 M112 T113 V115 W123 | Q7-L109 HydrophobicContact CB-CD1 4.19Å; I11-L109 HydrophobicContact CD1-CD1 3.41Å; I11-L109 VanDerWaalsContact CD1-CD1 3.41Å; F105-L109 HydrophobicContact CE1-CB 4.38Å; F105-L109 HydrophobicContact CE1-CD2 4.1Å; F105-L109 WeakPolarHBondContact O-CB 3.5Å; F105-L109 PolarHBondContact O-N 3.47Å; M106-L109 PolarHBondContact O-N 2.98Å; M106-L109 HydrophobicContact SD-CD2 4.2Å; L109-S111 PolarHBondContact O-N 2.78Å; L109-M112 PolarHBondContact O-N 3.18Å; L109-M112 VanDerWaalsContact O-N 3.13Å; L109-T113 HydrophobicContact CD1-CG2 4.21Å; L109-T113 PolarHBondContact O-N 3.13Å; L109-T113 PolarHBondContact O-OG1 3.18Å; L109-V115 HydrophobicContact CD2-CG2 4.1Å; L109-V115 HydrophobicContact CG-CG2 3.89Å; L109-W123 HydrophobicContact CD2-CD2 4.24Å; L109-W123 HydrophobicContact CD2-CG 4.24Å; L109-W123 HydrophobicContact CD2-CZ2 4.18Å |
| 110 | E | 97.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 49.8 Ų | 49.8 | 41% | 0.407 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.8 | -175.3 | 160.7 | -154.8 | 0 | 0 | 112.9 | M106 F108 M112 G114 V115 R120 | M106-E110 VanDerWaalsContact O-CB 3.28Å; M106-E110 WeakPolarHBondContact O-CB 3.32Å; M106-E110 PolarHBondContact O-N 3.05Å; F108-E110 VanDerWaalsContact C-N 3.3Å; F108-E110 PolarHBondContact O-N 3.47Å; E110-M112 VanDerWaalsContact C-N 3.25Å; E110-M112 PolarHBondContact O-N 2.82Å; E110-G114 WeakPolarHBondContact O-CA 3.44Å; E110-G114 PolarHBondContact O-N 3.41Å; E110-V115 HydrophobicContact CB-CG2 3.96Å; E110-R120 IonicContact OE1-NH2 2.75Å; E110-R120 PolarHBondContact OE1-NH2 3.3Å; E110-R120 IonicContact OE2-CZ 2.76Å; E110-R120 IonicContact OE2-NH1 2.82Å; E110-R120 IonicContact OE2-NH2 2.93Å; E110-R120 PolarHBondContact OE2-NH2 3.14Å |
| 111 | S | 96.4 | Very high | 96.7 | Very high | 84 Ų | 84 | 49.1 Ų | 49.1 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.2 | -25.4 | 174.7 | 70.8 | 0 | 0 | 0 | 0 | 113.9 | T107 F108 L109 | T107-S111 PolarHBondContact O-N 3.24Å; T107-S111 VanDerWaalsContact O-N 3.16Å; F108-S111 PolarHBondContact O-N 3.43Å; F108-S111 VanDerWaalsContact O-N 3.14Å; F108-S111 PolarHBondContact O-OG 3.03Å; L109-S111 PolarHBondContact O-N 2.78Å |
| 112 | M | 95.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 50 Ų | 50 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -90.6 | -38.9 | -177 | -67.8 | -58.9 | -63.5 | 0 | 0 | 112.9 | I11 N17 L20 F108 L109 E110 | I11-M112 HydrophobicContact CG1-CB 4.31Å; N17-M112 WeakPolarHBondContact OD1-CE 3.32Å; L20-M112 HydrophobicContact CD1-SD 4.45Å; F108-M112 HydrophobicContact CD2-CG 4.01Å; F108-M112 HydrophobicContact CE1-CG 4.3Å; F108-M112 HydrophobicContact CE2-CG 3.59Å; F108-M112 HydrophobicContact CE2-SD 4.05Å; F108-M112 HydrophobicContact CZ-CG 3.76Å; F108-M112 HydrophobicContact CZ-SD 4.49Å; F108-M112 WeakPolarHBondContact O-CG 3.34Å; F108-M112 PolarHBondContact O-N 3.45Å; F108-M112 VanDerWaalsContact O-N 3.1Å; L109-M112 PolarHBondContact O-N 3.18Å; L109-M112 VanDerWaalsContact O-N 3.13Å; E110-M112 VanDerWaalsContact C-N 3.25Å; E110-M112 PolarHBondContact O-N 2.82Å |
| 113 | T | 94.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -128.9 | -10.6 | -169.1 | 70.8 | 0 | 0 | 0 | 0 | 114.4 | Q7 K10 I11 L109 | Q7-T113 PolarHBondContact NE2-OG1 3.36Å; K10-T113 HydrophobicContact CB-CG2 3.75Å; K10-T113 HydrophobicContact CD-CG2 4.25Å; I11-T113 HydrophobicContact CD1-CG2 4.45Å; I11-T113 HydrophobicContact CG1-CG2 4.07Å; L109-T113 HydrophobicContact CD1-CG2 4.21Å; L109-T113 PolarHBondContact O-N 3.13Å; L109-T113 PolarHBondContact O-OG1 3.18Å |
| 114 | G | 94.5 | Very high | 97.2 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | trans | 63.3 | 163.6 | -155.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q7 E110 | Q7-G114 PolarHBondContact NE2-O 3.08Å; E110-G114 WeakPolarHBondContact O-CA 3.44Å; E110-G114 PolarHBondContact O-N 3.41Å | ||
| 115 | V | 96.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | trans | -141.6 | 121.7 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 109 | M106 L109 E110 Q119 R120 | M106-V115 HydrophobicContact CE-CG1 4Å; M106-V115 HydrophobicContact CE-CG2 4.4Å; L109-V115 HydrophobicContact CD2-CG2 4.1Å; L109-V115 HydrophobicContact CG-CG2 3.89Å; E110-V115 HydrophobicContact CB-CG2 3.96Å; V115-Q119 HydrophobicContact CG1-CB 3.52Å; V115-R120 HydrophobicContact CG1-CB 3.88Å | ||
| 116 | T | 97.5 | Very high | 97.3 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 32% | 0.315 | S | S | . | . | trans | -71.5 | 165.8 | 171.8 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | E118 Q119 R120 | T116-E118 VanDerWaalsContact C-N 3.27Å; T116-E118 PolarHBondContact O-N 3.34Å; T116-Q119 PolarHBondContact O-N 3.39Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.36Å; T116-Q119 PolarHBondContact OG1-N 3.08Å; T116-Q119 PolarHBondContact OG1-OE1 3.1Å; T116-R120 WeakPolarHBondContact O-CB 3.08Å; T116-R120 PolarHBondContact O-N 3.06Å | ||
| 117 | A | 97.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 51.7 Ų | 51.7 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R120 A121 | A117-R120 PolarHBondContact O-N 3.43Å; A117-A121 PolarHBondContact O-N 3.28Å |
| 118 | E | 97.6 | Very high | 97.2 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.9 | -45.7 | 177.5 | -174 | -176.8 | -172.2 | 0 | 0 | 112 | I3 T116 R120 A121 A122 | I3-E118 HydrophobicContact CD1-CG 3.9Å; I3-E118 WeakPolarHBondContact CD1-OE1 3.32Å; T116-E118 VanDerWaalsContact C-N 3.27Å; T116-E118 PolarHBondContact O-N 3.34Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.39Å; E118-A121 PolarHBondContact O-N 2.86Å; E118-A122 PolarHBondContact O-N 3.08Å |
| 119 | Q | 97.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 54 Ų | 54 | 15% | 0.15 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 175.8 | -77.2 | 165.6 | -11.7 | 0 | 0 | 111.6 | I3 Q7 V115 T116 A121 A122 W123 | I3-Q119 HydrophobicContact CG2-CB 4.17Å; I3-Q119 HydrophobicContact CG2-CG 3.49Å; I3-Q119 VanDerWaalsContact CG2-CG 3.49Å; Q7-Q119 HydrophobicContact CG-CG 4.37Å; V115-Q119 HydrophobicContact CG1-CB 3.52Å; T116-Q119 PolarHBondContact O-N 3.39Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.36Å; T116-Q119 PolarHBondContact OG1-N 3.08Å; T116-Q119 PolarHBondContact OG1-OE1 3.1Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; Q119-A121 PolarHBondContact O-N 2.98Å; Q119-A122 PolarHBondContact O-N 3.39Å; Q119-W123 VanDerWaalsContact O-CD1 3.25Å; Q119-W123 PolarHBondContact O-N 3.04Å |
| 120 | R | 98 | Very high | 97.2 | Very high | 100 Ų | 100 | 54.3 Ų | 54.3 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.3 | -172.8 | 177.8 | -62.3 | -85.6 | 2.4 | 111.4 | M106 E110 V115 T116 A117 E118 W123 H124 | M106-R120 HydrophobicContact CE-CB 4.35Å; M106-R120 HydrophobicContact CE-CG 4.07Å; E110-R120 IonicContact OE1-NH2 2.75Å; E110-R120 PolarHBondContact OE1-NH2 3.3Å; E110-R120 IonicContact OE2-CZ 2.76Å; E110-R120 IonicContact OE2-NH1 2.82Å; E110-R120 IonicContact OE2-NH2 2.93Å; E110-R120 PolarHBondContact OE2-NH2 3.14Å; V115-R120 HydrophobicContact CG1-CB 3.88Å; T116-R120 WeakPolarHBondContact O-CB 3.08Å; T116-R120 PolarHBondContact O-N 3.06Å; A117-R120 PolarHBondContact O-N 3.43Å; E118-R120 VanDerWaalsContact C-N 3.32Å; E118-R120 PolarHBondContact O-N 3.39Å; R120-W123 PolarHBondContact O-N 3.41Å; R120-H124 WeakPolarHBondContact O-CB 3.16Å; R120-H124 PolarHBondContact O-N 3.06Å |
| 121 | A | 98.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A117 E118 Q119 H124 G125 | A117-A121 PolarHBondContact O-N 3.28Å; E118-A121 PolarHBondContact O-N 2.86Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; Q119-A121 PolarHBondContact O-N 2.98Å; A121-H124 PolarHBondContact O-N 3.08Å; A121-G125 PolarHBondContact O-N 2.93Å |
| 122 | A | 97.8 | Very high | 97.2 | Very high | 32 Ų | 32 | 54.1 Ų | 54.1 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I3 L4 E118 Q119 G125 F126 | I3-A122 HydrophobicContact CB-CB 4.38Å; I3-A122 HydrophobicContact CG2-CB 4.11Å; L4-A122 HydrophobicContact CD2-CB 3.88Å; E118-A122 PolarHBondContact O-N 3.08Å; Q119-A122 PolarHBondContact O-N 3.39Å; A122-G125 PolarHBondContact O-N 2.89Å; A122-F126 PolarHBondContact O-N 3.12Å |
| 123 | W | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.6 | -83 | 105.5 | 0 | 0 | 0 | 112.7 | L4 M8 I64 V68 F105 M106 L109 Q119 R120 G125 F126 F127 | L4-W123 HydrophobicContact CB-CH2 4.38Å; L4-W123 HydrophobicContact CB-CZ2 4.11Å; L4-W123 HydrophobicContact CD2-CB 4.37Å; L4-W123 HydrophobicContact CD2-CD2 3.55Å; L4-W123 HydrophobicContact CD2-CE3 4.03Å; L4-W123 HydrophobicContact CD2-CG 3.7Å; L4-W123 HydrophobicContact CD2-CZ2 4.19Å; M8-W123 HydrophobicContact CG-CH2 3.92Å; M8-W123 HydrophobicContact CG-CZ2 4.06Å; M8-W123 HydrophobicContact SD-CH2 3.77Å; M8-W123 HydrophobicContact SD-CZ2 4.05Å; I64-W123 HydrophobicContact CD1-CH2 4.41Å; I64-W123 HydrophobicContact CD1-CZ3 3.97Å; I64-W123 HydrophobicContact CG1-CZ3 4.26Å; V68-W123 HydrophobicContact CG2-CH2 3.8Å; V68-W123 HydrophobicContact CG2-CZ3 4.11Å; F105-W123 HydrophobicContact CD1-CE3 4.21Å; F105-W123 HydrophobicContact CD1-CZ3 4.17Å; F105-W123 HydrophobicContact CE1-CD2 4.03Å; F105-W123 AromaticContact CE1-CE3 3.75Å; F105-W123 HydrophobicContact CE1-CE3 3.75Å; F105-W123 AromaticContact CE1-CH2 3.44Å; F105-W123 HydrophobicContact CE1-CH2 3.44Å; F105-W123 VanDerWaalsContact CE1-CH2 3.44Å; F105-W123 AromaticContact CE1-CZ2 3.74Å; F105-W123 HydrophobicContact CE1-CZ2 3.74Å; F105-W123 AromaticContact CE1-CZ3 3.46Å; F105-W123 HydrophobicContact CE1-CZ3 3.46Å; F105-W123 VanDerWaalsContact CE1-CZ3 3.46Å; F105-W123 AromaticContact CZ-CH2 3.8Å; F105-W123 HydrophobicContact CZ-CH2 3.8Å; F105-W123 HydrophobicContact CZ-CZ2 4.13Å; F105-W123 HydrophobicContact CZ-CZ3 4.19Å; M106-W123 HydrophobicContact CE-CB 3.93Å; M106-W123 HydrophobicContact CE-CG 4.27Å; M106-W123 HydrophobicContact SD-CB 3.38Å; M106-W123 WeakPolarHBondContact SD-CB 3.39Å; M106-W123 HydrophobicContact SD-CD2 4.3Å; M106-W123 HydrophobicContact SD-CG 3.63Å; L109-W123 HydrophobicContact CD2-CD2 4.24Å; L109-W123 HydrophobicContact CD2-CG 4.24Å; L109-W123 HydrophobicContact CD2-CZ2 4.18Å; Q119-W123 VanDerWaalsContact O-CD1 3.25Å; Q119-W123 PolarHBondContact O-N 3.04Å; R120-W123 PolarHBondContact O-N 3.41Å; W123-G125 VanDerWaalsContact C-N 3.33Å; W123-G125 PolarHBondContact O-N 2.87Å; W123-F126 AromaticContact CE3-CD1 3.8Å; W123-F126 HydrophobicContact CE3-CD1 3.8Å; W123-F126 HydrophobicContact CE3-CE1 4.37Å; W123-F126 HydrophobicContact CE3-CG 4.35Å; W123-F126 AromaticContact CZ3-CD1 3.82Å; W123-F126 HydrophobicContact CZ3-CD1 3.82Å; W123-F126 AromaticContact CZ3-CE1 3.96Å; W123-F126 HydrophobicContact CZ3-CE1 3.96Å; W123-F126 HydrophobicContact CZ3-CG 4.43Å; W123-F126 WeakPolarHBondContact O-CB 3.28Å; W123-F126 PolarHBondContact O-N 3.47Å; W123-F126 VanDerWaalsContact O-N 3.16Å; W123-F127 HydrophobicContact CE3-CD2 4.28Å; W123-F127 AromaticContact CE3-CE2 3.77Å; W123-F127 HydrophobicContact CE3-CE2 3.77Å; W123-F127 HydrophobicContact CZ3-CE2 4.34Å; W123-F127 VanDerWaalsContact O-CD2 3.32Å; W123-F127 WeakPolarHBondContact O-CD2 3.23Å; W123-F127 PolarHBondContact O-N 2.65Å |
| 124 | H | 98 | Very high | 97.3 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175 | -176.7 | 58.9 | 0 | 0 | 0 | 111.2 | E102 R120 A121 F126 F127 V128 | E102-H124 WeakPolarHBondContact OE1-CA 3.48Å; E102-H124 IonicContact OE1-CE1 2.69Å; E102-H124 IonicContact OE1-CG 3.83Å; E102-H124 IonicContact OE1-ND1 2.79Å; E102-H124 PolarHBondContact OE1-ND1 3.04Å; E102-H124 IonicContact OE2-ND1 2.69Å; R120-H124 WeakPolarHBondContact O-CB 3.16Å; R120-H124 PolarHBondContact O-N 3.06Å; A121-H124 PolarHBondContact O-N 3.08Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.37Å; H124-F127 PolarHBondContact O-N 3.12Å; H124-F127 VanDerWaalsContact O-N 3.17Å; H124-V128 WeakPolarHBondContact O-CG2 3.4Å; H124-V128 PolarHBondContact O-N 3.47Å |
| 125 | G | 97.6 | Very high | 97.3 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A121 A122 W123 K129 | A121-G125 PolarHBondContact O-N 2.93Å; A122-G125 PolarHBondContact O-N 2.89Å; W123-G125 VanDerWaalsContact C-N 3.33Å; W123-G125 PolarHBondContact O-N 2.87Å; G125-K129 PolarHBondContact O-N 3.47Å; G125-K129 VanDerWaalsContact O-N 3.1Å |
| 126 | F | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.7 | 170.2 | -92.4 | 0 | 0 | 0 | 112.5 | L4 I64 F67 V68 A71 F77 A122 W123 H124 K129 F130 | L4-F126 HydrophobicContact CD1-CB 3.72Å; L4-F126 HydrophobicContact CD1-CD2 3.82Å; L4-F126 HydrophobicContact CD1-CG 3.95Å; I64-F126 HydrophobicContact CD1-CE1 4.48Å; I64-F126 HydrophobicContact CG1-CE1 4.24Å; I64-F126 HydrophobicContact CG1-CZ 4.37Å; F67-F126 HydrophobicContact CB-CE2 4.06Å; F67-F126 HydrophobicContact CB-CZ 3.68Å; V68-F126 HydrophobicContact CG2-CE2 4.02Å; V68-F126 HydrophobicContact CG2-CZ 4.2Å; A71-F126 HydrophobicContact CB-CD2 4.36Å; A71-F126 HydrophobicContact CB-CE2 4.42Å; F77-F126 AromaticContact CE2-CE2 3.85Å; F77-F126 HydrophobicContact CE2-CE2 3.85Å; F77-F126 HydrophobicContact CE2-CZ 4.4Å; F77-F126 HydrophobicContact CZ-CE2 4.34Å; A122-F126 PolarHBondContact O-N 3.12Å; W123-F126 AromaticContact CE3-CD1 3.8Å; W123-F126 HydrophobicContact CE3-CD1 3.8Å; W123-F126 HydrophobicContact CE3-CE1 4.37Å; W123-F126 HydrophobicContact CE3-CG 4.35Å; W123-F126 AromaticContact CZ3-CD1 3.82Å; W123-F126 HydrophobicContact CZ3-CD1 3.82Å; W123-F126 AromaticContact CZ3-CE1 3.96Å; W123-F126 HydrophobicContact CZ3-CE1 3.96Å; W123-F126 HydrophobicContact CZ3-CG 4.43Å; W123-F126 WeakPolarHBondContact O-CB 3.28Å; W123-F126 PolarHBondContact O-N 3.47Å; W123-F126 VanDerWaalsContact O-N 3.16Å; H124-F126 VanDerWaalsContact C-N 3.29Å; H124-F126 PolarHBondContact O-N 3.37Å; F126-K129 WeakPolarHBondContact O-CB 3.47Å; F126-K129 PolarHBondContact O-N 2.98Å; F126-F130 WeakPolarHBondContact O-CB 3.31Å; F126-F130 PolarHBondContact O-N 3.37Å |
| 127 | F | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -32.8 | -179.9 | -83.3 | -73 | 0 | 0 | 0 | 113.1 | I64 A101 E102 F105 W123 H124 F130 M131 | I64-F127 HydrophobicContact CD1-CZ 3.91Å; A101-F127 HydrophobicContact CB-CE1 4.22Å; E102-F127 HydrophobicContact CB-CB 3.83Å; E102-F127 HydrophobicContact CB-CD1 3.75Å; E102-F127 HydrophobicContact CB-CD2 3.71Å; E102-F127 HydrophobicContact CB-CE1 4.2Å; E102-F127 HydrophobicContact CB-CE2 4.18Å; E102-F127 HydrophobicContact CB-CG 3.49Å; E102-F127 VanDerWaalsContact CB-CG 3.49Å; E102-F127 HydrophobicContact CB-CZ 4.4Å; E102-F127 HydrophobicContact CG-CB 3.98Å; E102-F127 HydrophobicContact CG-CD2 3.63Å; E102-F127 HydrophobicContact CG-CE2 4.24Å; E102-F127 HydrophobicContact CG-CG 3.82Å; F105-F127 HydrophobicContact CB-CE2 4.42Å; F105-F127 HydrophobicContact CB-CZ 3.89Å; F105-F127 AromaticContact CD1-CE2 3.74Å; F105-F127 HydrophobicContact CD1-CE2 3.74Å; F105-F127 AromaticContact CD1-CZ 3.74Å; F105-F127 HydrophobicContact CD1-CZ 3.74Å; F105-F127 HydrophobicContact CG-CE2 4.45Å; F105-F127 HydrophobicContact CG-CZ 4.05Å; W123-F127 HydrophobicContact CE3-CD2 4.28Å; W123-F127 AromaticContact CE3-CE2 3.77Å; W123-F127 HydrophobicContact CE3-CE2 3.77Å; W123-F127 HydrophobicContact CZ3-CE2 4.34Å; W123-F127 VanDerWaalsContact O-CD2 3.32Å; W123-F127 WeakPolarHBondContact O-CD2 3.23Å; W123-F127 PolarHBondContact O-N 2.65Å; H124-F127 PolarHBondContact O-N 3.12Å; H124-F127 VanDerWaalsContact O-N 3.17Å; F127-F130 HydrophobicContact CD1-CD1 4.15Å; F127-F130 WeakPolarHBondContact O-CB 3.32Å; F127-F130 PolarHBondContact O-N 3.31Å; F127-M131 WeakPolarHBondContact O-CB 3.44Å; F127-M131 WeakPolarHBondContact O-CG 3.41Å; F127-M131 PolarHBondContact O-N 3.33Å |
| 128 | V | 97.3 | Very high | 96.6 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 169.3 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | H124 F130 M131 Q132 | H124-V128 WeakPolarHBondContact O-CG2 3.4Å; H124-V128 PolarHBondContact O-N 3.47Å; V128-F130 PolarHBondContact O-N 2.96Å; V128-M131 PolarHBondContact O-N 3.42Å; V128-Q132 VanDerWaalsContact O-CG 3.29Å; V128-Q132 WeakPolarHBondContact O-CG 3.46Å; V128-Q132 PolarHBondContact O-N 2.94Å |
| 129 | K | 96.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 176.1 | -174.1 | -169.2 | 179.1 | 75.6 | 0 | 111.8 | A71 E74 F77 G125 F126 Q132 A133 | A71-K129 WeakPolarHBondContact O-CE 3.38Å; E74-K129 IonicContact OE2-NZ 3.61Å; E74-K129 PolarHBondContact OE2-NZ 3.18Å; F77-K129 HydrophobicContact CD1-CD 4.31Å; F77-K129 HydrophobicContact CD1-CG 4.46Å; F77-K129 HydrophobicContact CE1-CD 4Å; F77-K129 HydrophobicContact CE1-CG 3.88Å; F77-K129 HydrophobicContact CZ-CD 4.27Å; F77-K129 HydrophobicContact CZ-CG 4.36Å; G125-K129 PolarHBondContact O-N 3.47Å; G125-K129 VanDerWaalsContact O-N 3.1Å; F126-K129 WeakPolarHBondContact O-CB 3.47Å; F126-K129 PolarHBondContact O-N 2.98Å; K129-Q132 PolarHBondContact O-N 3Å; K129-A133 PolarHBondContact O-N 3.22Å |
| 130 | F | 97.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.8 | -50.7 | 174.6 | 166.6 | -95.9 | 0 | 0 | 0 | 111.2 | F67 F77 I81 F84 L98 F126 F127 V128 Q132 A133 V134 | F67-F130 HydrophobicContact CD2-CD2 4.47Å; F67-F130 HydrophobicContact CD2-CE2 4.49Å; F67-F130 HydrophobicContact CE2-CD2 4.39Å; F67-F130 AromaticContact CE2-CE2 3.99Å; F67-F130 HydrophobicContact CE2-CE2 3.99Å; F77-F130 HydrophobicContact CZ-CB 4.32Å; I81-F130 HydrophobicContact CD1-CD2 3.53Å; I81-F130 HydrophobicContact CD1-CE2 3.84Å; I81-F130 HydrophobicContact CG1-CD2 4.43Å; F84-F130 HydrophobicContact CD1-CE2 4.16Å; F84-F130 HydrophobicContact CD1-CZ 4.27Å; F84-F130 AromaticContact CE1-CE2 3.95Å; F84-F130 HydrophobicContact CE1-CE2 3.95Å; F84-F130 AromaticContact CE1-CZ 3.64Å; F84-F130 HydrophobicContact CE1-CZ 3.64Å; F84-F130 HydrophobicContact CZ-CE2 4.5Å; F84-F130 HydrophobicContact CZ-CZ 4.15Å; L98-F130 HydrophobicContact CB-CE1 4.48Å; F126-F130 WeakPolarHBondContact O-CB 3.31Å; F126-F130 PolarHBondContact O-N 3.37Å; F127-F130 HydrophobicContact CD1-CD1 4.15Å; F127-F130 WeakPolarHBondContact O-CB 3.32Å; F127-F130 PolarHBondContact O-N 3.31Å; V128-F130 PolarHBondContact O-N 2.96Å; F130-Q132 VanDerWaalsContact C-N 3.35Å; F130-Q132 PolarHBondContact O-N 3.1Å; F130-A133 PolarHBondContact O-N 2.93Å; F130-A133 VanDerWaalsContact O-N 3.15Å; F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.78Å; F130-V134 HydrophobicContact CE2-CG2 3.82Å; F130-V134 HydrophobicContact CG-CG2 4.39Å; F130-V134 HydrophobicContact CZ-CG2 3.58Å; F130-V134 WeakPolarHBondContact O-CG2 3.34Å; F130-V134 PolarHBondContact O-N 2.76Å |
| 131 | M | 97.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 46.8 Ų | 46.8 | 18% | 0.177 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -34.8 | -178.8 | -73.8 | -53 | -56.8 | 0 | 0 | 113 | P95 L98 E99 F127 V128 V134 T135 | P95-M131 HydrophobicContact CB-CE 4.29Å; P95-M131 WeakPolarHBondContact O-CE 3.39Å; L98-M131 HydrophobicContact CB-SD 4.27Å; E99-M131 HydrophobicContact CG-CE 3.73Å; F127-M131 WeakPolarHBondContact O-CB 3.44Å; F127-M131 WeakPolarHBondContact O-CG 3.41Å; F127-M131 PolarHBondContact O-N 3.33Å; V128-M131 PolarHBondContact O-N 3.42Å; M131-V134 HydrophobicContact CE-CG1 4.41Å; M131-V134 PolarHBondContact O-N 3.25Å; M131-T135 WeakPolarHBondContact O-CB 3.13Å; M131-T135 PolarHBondContact O-N 3.5Å; M131-T135 PolarHBondContact O-OG1 3.46Å |
| 132 | Q | 96.5 | Very high | 96.3 | Very high | 130 Ų | 130 | 45.6 Ų | 45.6 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.4 | -45.8 | 170.9 | -73.7 | 171.2 | -10.7 | 0 | 0 | 111.3 | V128 K129 F130 T135 A136 | V128-Q132 VanDerWaalsContact O-CG 3.29Å; V128-Q132 WeakPolarHBondContact O-CG 3.46Å; V128-Q132 PolarHBondContact O-N 2.94Å; K129-Q132 PolarHBondContact O-N 3Å; F130-Q132 VanDerWaalsContact C-N 3.35Å; F130-Q132 PolarHBondContact O-N 3.1Å; Q132-T135 PolarHBondContact O-N 3.29Å; Q132-A136 PolarHBondContact O-N 3.24Å |
| 133 | A | 96.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 46.5 Ų | 46.5 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F77 I81 K129 F130 T135 A136 C137 | F77-A133 HydrophobicContact CD1-CB 4.4Å; F77-A133 HydrophobicContact CE1-CB 4.02Å; I81-A133 HydrophobicContact CB-CB 4.04Å; I81-A133 HydrophobicContact CG1-CB 3.96Å; I81-A133 HydrophobicContact CG2-CB 3.8Å; K129-A133 PolarHBondContact O-N 3.22Å; F130-A133 PolarHBondContact O-N 2.93Å; F130-A133 VanDerWaalsContact O-N 3.15Å; A133-T135 VanDerWaalsContact C-N 3.31Å; A133-T135 PolarHBondContact O-N 3.18Å; A133-A136 PolarHBondContact O-N 3.22Å; A133-C137 PolarHBondContact O-SG 3.44Å |
| 134 | V | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176 | 163.8 | 0 | 0 | 0 | 0 | 111.3 | I81 V85 P95 L98 F130 M131 A136 C137 | I81-V134 HydrophobicContact CG2-CB 4.42Å; I81-V134 HydrophobicContact CG2-CG2 3.65Å; V85-V134 HydrophobicContact CG2-CB 4.21Å; V85-V134 HydrophobicContact CG2-CG1 4.07Å; V85-V134 HydrophobicContact CG2-CG2 3.95Å; P95-V134 HydrophobicContact CB-CG1 4Å; P95-V134 HydrophobicContact CG-CG1 3.98Å; L98-V134 HydrophobicContact CD1-CG1 3.69Å; L98-V134 HydrophobicContact CD1-CG2 4.22Å; F130-V134 HydrophobicContact CD1-CG2 4.19Å; F130-V134 HydrophobicContact CD2-CG2 4.23Å; F130-V134 HydrophobicContact CE1-CG2 3.78Å; F130-V134 HydrophobicContact CE2-CG2 3.82Å; F130-V134 HydrophobicContact CG-CG2 4.39Å; F130-V134 HydrophobicContact CZ-CG2 3.58Å; F130-V134 WeakPolarHBondContact O-CG2 3.34Å; F130-V134 PolarHBondContact O-N 2.76Å; M131-V134 HydrophobicContact CE-CG1 4.41Å; M131-V134 PolarHBondContact O-N 3.25Å; V134-A136 PolarHBondContact O-N 3.09Å; V134-C137 PolarHBondContact O-N 3.13Å |
| 135 | T | 95.1 | Very high | 95.9 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 60% | 0.601 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -72.9 | -19.4 | -178.5 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | M131 Q132 A133 | M131-T135 WeakPolarHBondContact O-CB 3.13Å; M131-T135 PolarHBondContact O-N 3.5Å; M131-T135 PolarHBondContact O-OG1 3.46Å; Q132-T135 PolarHBondContact O-N 3.29Å; A133-T135 VanDerWaalsContact C-N 3.31Å; A133-T135 PolarHBondContact O-N 3.18Å |
| 136 | A | 93.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 46.6 Ų | 46.6 | 69% | 0.694 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q132 A133 V134 | Q132-A136 PolarHBondContact O-N 3.24Å; A133-A136 PolarHBondContact O-N 3.22Å; V134-A136 PolarHBondContact O-N 3.09Å |
| 137 | C | 86.5 | Confident | 95.6 | Very high | 66 Ų | 66 | 50 Ų | 50 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | trans | -106.2 | 0 | -175.5 | -65.3 | 0 | 0 | 0 | 0 | 114.1 | V85 K89 A133 V134 | V85-C137 HydrophobicContact CB-CB 4.15Å; V85-C137 HydrophobicContact CG1-CB 4.02Å; V85-C137 HydrophobicContact CG2-CB 4.2Å; K89-C137 PolarHBondContact NZ-O 2.99Å; A133-C137 PolarHBondContact O-SG 3.44Å; V134-C137 PolarHBondContact O-N 3.13Å |
Retrieved 137 of 137 residues in 827.2 ms
(Link to these results)