| 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 | 29 | Very low | 55.2 | Low | 178 Ų | 178 | 88.5 Ų | 88.5 | 88% | 0.877 | 46% | 0.455 | S | S | * | . | 0 | 122.7 | 0 | -161.6 | 163.8 | 168.8 | 0 | 0 | 106.1 | E5 | M1-E5 WeakPolarHBondContact CE-OE2 3.38Š| |||
| 2 | N | 29.3 | Very low | 57.3 | Low | 135 Ų | 135 | 84.3 Ų | 84.3 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | trans | -71.9 | 143.5 | -169.2 | -86.4 | -24.4 | 0 | 0 | 0 | 111.6 | V4 E5 | N2-V4 HydrophobicContact CB-CB 4.12Å; N2-V4 HydrophobicContact CB-CG2 3.89Å; N2-V4 PolarHBondContact O-N 3.45Å; N2-E5 PolarHBondContact O-N 3.49Å | ||
| 3 | I | 37.4 | Very low | 59.1 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 11.9 | 165.1 | -59.8 | 170.8 | 0 | 0 | 0 | 112.4 | S6 G7 | I3-S6 VanDerWaalsContact C-OG 3.24Å; I3-S6 WeakPolarHBondContact CA-OG 3.48Å; I3-S6 WeakPolarHBondContact CG2-OG 3.48Å; I3-S6 PolarHBondContact O-OG 3.16Å; I3-G7 PolarHBondContact O-N 3.39Å |
| 4 | V | 38.1 | Very low | 60.6 | Low | 117 Ų | 117 | 76.9 Ų | 76.9 | 71% | 0.709 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.7 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | N2 | N2-V4 HydrophobicContact CB-CB 4.12Å; N2-V4 HydrophobicContact CB-CG2 3.89Å; N2-V4 PolarHBondContact O-N 3.45Å |
| 5 | E | 41.2 | Very low | 61.8 | Low | 113 Ų | 113 | 78.3 Ų | 78.3 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -35.8 | 173.9 | -73.4 | 177.6 | 177.9 | 0 | 0 | 112 | M1 N2 G7 H8 | M1-E5 WeakPolarHBondContact CE-OE2 3.38Å; N2-E5 PolarHBondContact O-N 3.49Å; E5-G7 PolarHBondContact O-N 3.46Å; E5-H8 PolarHBondContact O-N 3.31Å |
| 6 | S | 50.7 | Low | 62.4 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 173.9 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | I3 H8 H9 L10 E39 | I3-S6 VanDerWaalsContact C-OG 3.24Å; I3-S6 WeakPolarHBondContact CA-OG 3.48Å; I3-S6 WeakPolarHBondContact CG2-OG 3.48Å; I3-S6 PolarHBondContact O-OG 3.16Å; S6-H8 PolarHBondContact O-N 3.42Å; S6-H8 VanDerWaalsContact O-N 3.13Å; S6-H9 PolarHBondContact O-N 3.07Å; S6-L10 VanDerWaalsContact O-CB 3.28Å; S6-L10 WeakPolarHBondContact O-CB 3.05Å; S6-L10 PolarHBondContact O-N 3.45Å; S6-E39 WeakPolarHBondContact CA-OE1 3.4Å; S6-E39 WeakPolarHBondContact CA-OE2 3.26Å; S6-E39 VanDerWaalsContact CB-OE1 3.24Å; S6-E39 WeakPolarHBondContact CB-OE1 3.29Å; S6-E39 WeakPolarHBondContact CB-OE2 3.45Å |
| 7 | G | 65.4 | Low | 63 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 21% | 0.206 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -55.8 | -30 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I3 E5 K11 | I3-G7 PolarHBondContact O-N 3.39Å; E5-G7 PolarHBondContact O-N 3.46Å; G7-K11 WeakPolarHBondContact O-CB 2.99Å; G7-K11 WeakPolarHBondContact O-CD 3.43Å; G7-K11 WeakPolarHBondContact O-CG 3.38Å; G7-K11 PolarHBondContact O-N 3.06Å; G7-K11 VanDerWaalsContact O-N 3.15Å |
| 8 | H | 78.2 | Confident | 63.4 | Low | 101 Ų | 101 | 76.6 Ų | 76.6 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.1 | -57.5 | 177.8 | 177 | -94.3 | 0 | 0 | 0 | 111.6 | E5 S6 L10 K11 E12 | E5-H8 PolarHBondContact O-N 3.31Å; S6-H8 PolarHBondContact O-N 3.42Å; S6-H8 VanDerWaalsContact O-N 3.13Å; H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.44Å; H8-K11 WeakPolarHBondContact O-CB 3.5Å; H8-K11 PolarHBondContact O-N 3.26Å; H8-K11 VanDerWaalsContact O-N 3.1Å; H8-E12 IonicContact NE2-OE1 3.57Å; H8-E12 WeakPolarHBondContact O-CG 3.39Å; H8-E12 PolarHBondContact O-N 3.33Å |
| 9 | H | 79.3 | Confident | 63 | Low | 24 Ų | 24 | 76.2 Ų | 76.2 | 11% | 0.111 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | -176.8 | -66.9 | -62.9 | 0 | 0 | 0 | 112.5 | S6 E12 L13 H31 Y34 L35 | S6-H9 PolarHBondContact O-N 3.07Å; H9-E12 PolarHBondContact O-N 3.4Å; H9-L13 PolarHBondContact O-N 3.21Å; H9-L13 VanDerWaalsContact O-N 3.08Å; H9-H31 HydrophobicContact CB-CB 4.49Å; H9-H31 AromaticContact CE1-CE1 3.92Å; H9-H31 AromaticContact CE1-ND1 3.56Å; H9-H31 AromaticContact ND1-CE1 3.49Å; H9-H31 PolarHBondContact ND1-CE1 2.9Å; H9-H31 AromaticContact ND1-CG 3.74Å; H9-H31 AromaticContact ND1-ND1 2.88Å; H9-H31 PolarHBondContact ND1-ND1 2.9Å; H9-Y34 HydrophobicContact CB-CD1 4.42Å; H9-Y34 AromaticContact CD2-CD1 3.23Å; H9-Y34 WeakPolarHBondContact CD2-CD1 3.14Å; H9-Y34 AromaticContact CD2-CE1 3.22Å; H9-Y34 WeakPolarHBondContact CD2-CE1 3.39Å; H9-Y34 AromaticContact CD2-CG 4Å; H9-Y34 AromaticContact CD2-CZ 3.97Å; H9-Y34 AromaticContact CG-CD1 3.7Å; H9-Y34 AromaticContact NE2-CD1 3.52Å; H9-Y34 AromaticContact NE2-CE1 3.38Å; H9-Y34 WeakPolarHBondContact NE2-CE1 3.3Å; H9-Y34 AromaticContact NE2-CG 3.89Å; H9-Y34 AromaticContact NE2-CZ 3.63Å; H9-L35 HydrophobicContact CB-CD1 4.49Å; H9-L35 HydrophobicContact CB-CD2 3.7Å; H9-L35 HydrophobicContact CB-CG 4Å |
| 10 | L | 78.5 | Confident | 62.4 | Low | 43 Ų | 43 | 83.1 Ų | 83.1 | 23% | 0.225 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 173.4 | -175.9 | 62.1 | 0 | 0 | 0 | 111.7 | S6 H8 L13 L14 F65 | S6-L10 VanDerWaalsContact O-CB 3.28Å; S6-L10 WeakPolarHBondContact O-CB 3.05Å; S6-L10 PolarHBondContact O-N 3.45Å; H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 3.22Å; L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.33Å; L10-F65 HydrophobicContact CD1-CD1 3.87Å; L10-F65 HydrophobicContact CD1-CE1 3.59Å; L10-F65 HydrophobicContact CD1-CZ 4.3Å |
| 11 | K | 80.5 | Confident | 61.9 | Low | 138 Ų | 138 | 83.9 Ų | 83.9 | 60% | 0.6 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 174.3 | -80.8 | 170 | -164.4 | 174.1 | 0 | 112.3 | G7 H8 L13 L14 K15 | G7-K11 WeakPolarHBondContact O-CB 2.99Å; G7-K11 WeakPolarHBondContact O-CD 3.43Å; G7-K11 WeakPolarHBondContact O-CG 3.38Å; G7-K11 PolarHBondContact O-N 3.06Å; G7-K11 VanDerWaalsContact O-N 3.15Å; H8-K11 WeakPolarHBondContact O-CB 3.5Å; H8-K11 PolarHBondContact O-N 3.26Å; H8-K11 VanDerWaalsContact O-N 3.1Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 3.35Å; K11-L14 PolarHBondContact O-N 2.94Å; K11-L14 VanDerWaalsContact O-N 3.15Å; K11-K15 WeakPolarHBondContact O-CG 3.17Å; K11-K15 PolarHBondContact O-N 3.08Å |
| 12 | E | 80 | Confident | 63.3 | Low | 38 Ų | 38 | 76 Ų | 76 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.3 | -65.8 | -52.3 | 127.4 | 0 | 0 | 111.3 | H8 H9 K15 H28 H31 | H8-E12 IonicContact NE2-OE1 3.57Å; H8-E12 WeakPolarHBondContact O-CG 3.39Å; H8-E12 PolarHBondContact O-N 3.33Å; H9-E12 PolarHBondContact O-N 3.4Å; E12-K15 WeakPolarHBondContact O-CB 3.26Å; E12-K15 PolarHBondContact O-N 3.43Å; E12-K15 VanDerWaalsContact OE1-CE 3.24Å; E12-K15 WeakPolarHBondContact OE1-CE 3.5Å; E12-K15 IonicContact OE1-NZ 3.79Å; E12-K15 PolarHBondContact OE1-NZ 3.01Å; E12-K15 WeakPolarHBondContact OE2-CD 3.35Å; E12-K15 WeakPolarHBondContact OE2-CE 3.35Å; E12-K15 IonicContact OE2-NZ 2.61Å; E12-K15 PolarHBondContact OE2-NZ 3.33Å; E12-H28 PolarHBondContact O-CD2 3.28Å; E12-H31 WeakPolarHBondContact CB-CD2 3.32Å |
| 13 | L | 81.3 | Confident | 65.3 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 172.2 | -68.1 | -177.3 | 0 | 0 | 0 | 113.1 | H9 L10 K11 K15 I16 H28 H31 L32 L35 F65 F66 L69 V76 | H9-L13 PolarHBondContact O-N 3.21Å; H9-L13 VanDerWaalsContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.22Å; K11-L13 VanDerWaalsContact C-N 3.3Å; K11-L13 PolarHBondContact O-N 3.35Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 2.89Å; L13-I16 HydrophobicContact CD2-CD1 4.13Å; L13-I16 VanDerWaalsContact O-CB 3.3Å; L13-I16 WeakPolarHBondContact O-CB 3.47Å; L13-I16 WeakPolarHBondContact O-CD1 3.39Å; L13-I16 VanDerWaalsContact O-CG1 3.26Å; L13-I16 WeakPolarHBondContact O-CG1 3.17Å; L13-I16 PolarHBondContact O-N 3.22Å; L13-H28 HydrophobicContact CD2-CB 4.14Å; L13-H28 WeakPolarHBondContact CD2-O 3.28Å; L13-H31 HydrophobicContact CD2-CB 4.08Å; L13-H31 HydrophobicContact CG-CB 4.16Å; L13-L32 HydrophobicContact CD1-CB 4.34Å; L13-L32 HydrophobicContact CD1-CD1 4.42Å; L13-L32 HydrophobicContact CD2-CB 4.43Å; L13-L35 HydrophobicContact CD1-CD1 3.38Å; L13-L35 HydrophobicContact CG-CD1 4.41Å; L13-F65 HydrophobicContact CB-CE1 4.25Å; L13-F65 HydrophobicContact CB-CZ 4.13Å; L13-F66 HydrophobicContact CD1-CE1 4.18Å; L13-L69 HydrophobicContact CB-CD2 4.37Å; L13-L69 HydrophobicContact CD1-CD2 3.93Å; L13-L69 HydrophobicContact CD2-CD2 4.1Å; L13-L69 HydrophobicContact CG-CD2 4.38Å; L13-V76 HydrophobicContact CD2-CG2 4.48Å |
| 14 | L | 79.3 | Confident | 67.2 | Low | 66 Ų | 66 | 70.3 Ų | 70.3 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 177.2 | -74.3 | 165.5 | 0 | 0 | 0 | 112.7 | L10 K11 I16 F17 D18 F65 | L10-L14 HydrophobicContact CG-CD1 4.14Å; L10-L14 VanDerWaalsContact O-CG 3.27Å; L10-L14 WeakPolarHBondContact O-CG 3.46Å; L10-L14 PolarHBondContact O-N 3.33Å; K11-L14 PolarHBondContact O-N 2.94Å; K11-L14 VanDerWaalsContact O-N 3.15Å; L14-I16 PolarHBondContact O-N 3.12Å; L14-F17 PolarHBondContact O-N 3.32Å; L14-D18 PolarHBondContact O-N 3.1Å; L14-F65 HydrophobicContact CD2-CD2 4.08Å; L14-F65 HydrophobicContact CD2-CE2 3.39Å; L14-F65 HydrophobicContact CD2-CZ 3.83Å; L14-F65 HydrophobicContact CG-CE2 4.2Å; L14-F65 HydrophobicContact CG-CZ 4.12Å |
| 15 | K | 78.2 | Confident | 69.2 | Low | 98 Ų | 98 | 68.2 Ų | 68.2 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.2 | -24.1 | 176.1 | -72.3 | 177.4 | -173.2 | 172.8 | 0 | 113.6 | K11 E12 L13 F17 D18 T19 | K11-K15 WeakPolarHBondContact O-CG 3.17Å; K11-K15 PolarHBondContact O-N 3.08Å; E12-K15 WeakPolarHBondContact O-CB 3.26Å; E12-K15 PolarHBondContact O-N 3.43Å; E12-K15 VanDerWaalsContact OE1-CE 3.24Å; E12-K15 WeakPolarHBondContact OE1-CE 3.5Å; E12-K15 IonicContact OE1-NZ 3.79Å; E12-K15 PolarHBondContact OE1-NZ 3.01Å; E12-K15 WeakPolarHBondContact OE2-CD 3.35Å; E12-K15 WeakPolarHBondContact OE2-CE 3.35Å; E12-K15 IonicContact OE2-NZ 2.61Å; E12-K15 PolarHBondContact OE2-NZ 3.33Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 2.89Å; K15-F17 PolarHBondContact O-N 2.91Å; K15-D18 PolarHBondContact O-N 3.25Å; K15-T19 PolarHBondContact O-OG1 3.23Å; K15-T19 VanDerWaalsContact O-OG1 3.13Å |
| 16 | I | 72.5 | Confident | 71 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -32 | 174.6 | -58.5 | 170.3 | 0 | 0 | 0 | 111.2 | L13 L14 V24 H28 L69 R73 | L13-I16 HydrophobicContact CD2-CD1 4.13Å; L13-I16 VanDerWaalsContact O-CB 3.3Å; L13-I16 WeakPolarHBondContact O-CB 3.47Å; L13-I16 WeakPolarHBondContact O-CD1 3.39Å; L13-I16 VanDerWaalsContact O-CG1 3.26Å; L13-I16 WeakPolarHBondContact O-CG1 3.17Å; L13-I16 PolarHBondContact O-N 3.22Å; L14-I16 PolarHBondContact O-N 3.12Å; I16-V24 HydrophobicContact CG2-CG2 3.83Å; I16-H28 HydrophobicContact CD1-CB 4.02Å; I16-H28 VanDerWaalsContact CD1-CD2 3.4Å; I16-H28 WeakPolarHBondContact CD1-CD2 3.21Å; I16-H28 WeakPolarHBondContact CG1-CD2 3.48Å; I16-L69 HydrophobicContact CD1-CD1 3.6Å; I16-R73 HydrophobicContact CG2-CB 4.2Å; I16-R73 HydrophobicContact CG2-CG 3.65Å |
| 17 | F | 72.5 | Confident | 72.5 | Confident | 63 Ų | 63 | 67.6 Ų | 67.6 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -92.5 | -26.2 | -179.1 | -64.2 | -74.7 | 0 | 0 | 0 | 113.8 | L14 K15 T19 F65 L69 E72 R73 | L14-F17 PolarHBondContact O-N 3.32Å; K15-F17 PolarHBondContact O-N 2.91Å; F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 PolarHBondContact O-N 2.96Å; F17-F65 AromaticContact CD2-CE2 3.98Å; F17-F65 HydrophobicContact CD2-CE2 3.98Å; F17-F65 HydrophobicContact CE2-CD2 4.41Å; F17-F65 AromaticContact CE2-CE2 3.52Å; F17-F65 HydrophobicContact CE2-CE2 3.52Å; F17-F65 HydrophobicContact CE2-CZ 4.06Å; F17-L69 HydrophobicContact CE2-CB 4.42Å; F17-L69 HydrophobicContact CE2-CD1 3.94Å; F17-L69 HydrophobicContact CZ-CB 4.36Å; F17-L69 HydrophobicContact CZ-CD1 4.14Å; F17-E72 HydrophobicContact CE1-CB 4.36Å; F17-E72 WeakPolarHBondContact CE1-OE2 3.19Å; F17-R73 HydrophobicContact CE1-CG 4.49Å |
| 18 | D | 69.3 | Low | 73.5 | Confident | 138 Ų | 138 | 67.6 Ų | 67.6 | 74% | 0.738 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -78.8 | -13.3 | -174.4 | -73.5 | -22.1 | 0 | 0 | 0 | 114.1 | L14 K15 | L14-D18 PolarHBondContact O-N 3.1Å; K15-D18 PolarHBondContact O-N 3.25Å |
| 19 | T | 55.8 | Low | 73.9 | Confident | 69 Ų | 69 | 62.8 Ų | 62.8 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | trans | -110.6 | 124.8 | -176.4 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | K15 F17 S21 G22 | K15-T19 PolarHBondContact O-OG1 3.23Å; K15-T19 VanDerWaalsContact O-OG1 3.13Å; F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 PolarHBondContact O-N 2.96Å; T19-S21 PolarHBondContact O-N 3.47Å; T19-G22 PolarHBondContact O-N 3.19Å; T19-G22 WeakPolarHBondContact OG1-CA 3.12Å; T19-G22 PolarHBondContact OG1-N 2.81Å | ||
| 20 | E | 51.2 | Low | 74.3 | Confident | 214 Ų | 214 | 62 Ų | 62 | 100% | 1 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -11 | 174.9 | -69.4 | -175.6 | 160 | 0 | 0 | 113.6 | ||
| 21 | S | 53.3 | Low | 74.7 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 70% | 0.699 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.7 | 20.1 | 178.1 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | T19 T23 | T19-S21 PolarHBondContact O-N 3.47Å; S21-T23 PolarHBondContact O-N 3.29Å |
| 22 | G | 58.3 | Low | 75 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | trans | -50.5 | 93.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T19 V24 | T19-G22 PolarHBondContact O-N 3.19Å; T19-G22 WeakPolarHBondContact OG1-CA 3.12Å; T19-G22 PolarHBondContact OG1-N 2.81Å; G22-V24 PolarHBondContact O-N 3.24Å | ||
| 23 | T | 71.3 | Confident | 75.4 | Confident | 102 Ų | 102 | 52.1 Ų | 52.1 | 63% | 0.626 | 28% | 0.279 | S | S | * | . | trans | -78.4 | 115 | 175.7 | 40.7 | 0 | 0 | 0 | 0 | 106.7 | S21 D25 | S21-T23 PolarHBondContact O-N 3.29Å; T23-D25 PolarHBondContact O-N 2.93Å | ||
| 24 | V | 77.1 | Confident | 75.6 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.03 | 29% | 0.288 | C | S | . | . | trans | -64.9 | 130.5 | 170.4 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | I16 G22 H28 R73 E75 V76 R79 | I16-V24 HydrophobicContact CG2-CG2 3.83Å; G22-V24 PolarHBondContact O-N 3.24Å; V24-H28 HydrophobicContact CG1-CB 4.05Å; V24-R73 HydrophobicContact CG2-CB 4.35Å; V24-E75 HydrophobicContact CB-CB 3.8Å; V24-E75 HydrophobicContact CG1-CB 4.19Å; V24-E75 HydrophobicContact CG2-CB 3.99Å; V24-V76 HydrophobicContact CG1-CB 4.04Å; V24-V76 HydrophobicContact CG1-CG2 4.37Å; V24-R79 WeakPolarHBondContact O-CD 3.35Å; V24-R79 PolarHBondContact O-NH1 3.23Å | ||
| 25 | D | 78.9 | Confident | 75.9 | Confident | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | trans | -121.1 | 178.3 | 177.1 | 67.7 | 26.3 | 0 | 0 | 0 | 110.8 | T23 C27 H28 | T23-D25 PolarHBondContact O-N 2.93Å; D25-C27 PolarHBondContact O-N 2.67Å; D25-C27 WeakPolarHBondContact OD1-CA 3.46Å; D25-C27 WeakPolarHBondContact OD1-CB 3.45Å; D25-C27 PolarHBondContact OD1-N 2.95Å; D25-H28 VanDerWaalsContact CG-ND1 3.3Å; D25-H28 PolarHBondContact N-ND1 3.01Å; D25-H28 VanDerWaalsContact N-ND1 3.1Å; D25-H28 PolarHBondContact O-N 3.21Å; D25-H28 IonicContact OD1-CE1 2.7Å; D25-H28 PolarHBondContact OD1-CE1 3.49Å; D25-H28 IonicContact OD1-CG 2.86Å; D25-H28 PolarHBondContact OD1-N 3.41Å; D25-H28 IonicContact OD1-ND1 2.71Å; D25-H28 PolarHBondContact OD1-ND1 3.49Å; D25-H28 IonicContact OD2-CE1 3.86Å; D25-H28 IonicContact OD2-ND1 3.32Å | ||
| 26 | Q | 79.7 | Confident | 76.2 | Confident | 92 Ų | 92 | 47.1 Ų | 47.1 | 43% | 0.43 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.8 | -27 | -178.6 | -56.7 | -173.4 | -29.8 | 0 | 0 | 113.1 | H28 T29 Y30 Y80 | Q26-H28 VanDerWaalsContact C-N 3.29Å; Q26-H28 PolarHBondContact O-N 2.89Å; Q26-T29 PolarHBondContact O-N 3.17Å; Q26-Y30 PolarHBondContact O-N 3.26Å; Q26-Y80 HydrophobicContact CB-CD2 4.03Å; Q26-Y80 HydrophobicContact CB-CE2 4.49Å; Q26-Y80 PolarHBondContact NE2-O 3.43Å |
| 27 | C | 82.5 | Confident | 76.7 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 14% | 0.142 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -33.6 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | D25 Y30 H31 F173 | D25-C27 PolarHBondContact O-N 2.67Å; D25-C27 WeakPolarHBondContact OD1-CA 3.46Å; D25-C27 WeakPolarHBondContact OD1-CB 3.45Å; D25-C27 PolarHBondContact OD1-N 2.95Å; C27-Y30 WeakPolarHBondContact O-CB 3.38Å; C27-Y30 PolarHBondContact O-N 3.17Å; C27-H31 PolarHBondContact O-CD2 3.48Å; C27-H31 VanDerWaalsContact O-CG 3.25Å; C27-H31 PolarHBondContact O-N 2.63Å; C27-F173 HydrophobicContact CB-CD2 4.3Å; C27-F173 HydrophobicContact CB-CE2 3.65Å; C27-F173 HydrophobicContact CB-CZ 4.15Å |
| 28 | H | 86.3 | Confident | 77.2 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66 | -39.2 | 176.9 | -59.7 | 90.9 | 0 | 0 | 0 | 112.1 | E12 L13 I16 V24 D25 Q26 Y30 H31 L32 V76 | E12-H28 PolarHBondContact O-CD2 3.28Å; L13-H28 HydrophobicContact CD2-CB 4.14Å; L13-H28 WeakPolarHBondContact CD2-O 3.28Å; I16-H28 HydrophobicContact CD1-CB 4.02Å; I16-H28 VanDerWaalsContact CD1-CD2 3.4Å; I16-H28 WeakPolarHBondContact CD1-CD2 3.21Å; I16-H28 WeakPolarHBondContact CG1-CD2 3.48Å; V24-H28 HydrophobicContact CG1-CB 4.05Å; D25-H28 VanDerWaalsContact CG-ND1 3.3Å; D25-H28 PolarHBondContact N-ND1 3.01Å; D25-H28 VanDerWaalsContact N-ND1 3.1Å; D25-H28 PolarHBondContact O-N 3.21Å; D25-H28 IonicContact OD1-CE1 2.7Å; D25-H28 PolarHBondContact OD1-CE1 3.49Å; D25-H28 IonicContact OD1-CG 2.86Å; D25-H28 PolarHBondContact OD1-N 3.41Å; D25-H28 IonicContact OD1-ND1 2.71Å; D25-H28 PolarHBondContact OD1-ND1 3.49Å; D25-H28 IonicContact OD2-CE1 3.86Å; D25-H28 IonicContact OD2-ND1 3.32Å; Q26-H28 VanDerWaalsContact C-N 3.29Å; Q26-H28 PolarHBondContact O-N 2.89Å; H28-Y30 VanDerWaalsContact C-N 3.33Å; H28-Y30 PolarHBondContact O-N 3.41Å; H28-H31 PolarHBondContact O-N 2.89Å; H28-L32 PolarHBondContact O-N 3.02Å; H28-V76 HydrophobicContact CB-CG2 4.02Å |
| 29 | T | 87.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 173.6 | -46.9 | 0 | 0 | 0 | 0 | 111.3 | Q26 H31 L32 C33 V76 Y80 L90 | Q26-T29 PolarHBondContact O-N 3.17Å; T29-H31 PolarHBondContact O-N 3.36Å; T29-L32 PolarHBondContact O-N 3.17Å; T29-C33 PolarHBondContact O-N 3.48Å; T29-C33 PolarHBondContact O-SG 3.3Å; T29-V76 VanDerWaalsContact CB-O 3.3Å; T29-V76 WeakPolarHBondContact CB-O 3.32Å; T29-V76 WeakPolarHBondContact CG2-O 3.47Å; T29-V76 PolarHBondContact OG1-O 3.04Å; T29-Y80 HydrophobicContact CG2-CD2 4.04Å; T29-Y80 HydrophobicContact CG2-CG 4Å; T29-L90 HydrophobicContact CG2-CD2 3.72Å |
| 30 | Y | 86.8 | Confident | 78.5 | Confident | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.3 | 177.1 | -84 | 0 | 0 | 0 | 111.4 | Q26 C27 H28 L32 C33 Y34 V171 F173 S178 E179 L181 | Q26-Y30 PolarHBondContact O-N 3.26Å; C27-Y30 WeakPolarHBondContact O-CB 3.38Å; C27-Y30 PolarHBondContact O-N 3.17Å; H28-Y30 VanDerWaalsContact C-N 3.33Å; H28-Y30 PolarHBondContact O-N 3.41Å; Y30-L32 PolarHBondContact O-N 3.23Å; Y30-C33 PolarHBondContact O-N 3.17Å; Y30-Y34 HydrophobicContact CE1-CD2 4.32Å; Y30-Y34 WeakPolarHBondContact O-CB 3.27Å; Y30-Y34 PolarHBondContact O-N 3.12Å; Y30-V171 HydrophobicContact CD2-CG1 4.05Å; Y30-F173 HydrophobicContact CD1-CB 4.3Å; Y30-F173 AromaticContact CD1-CD2 3.49Å; Y30-F173 HydrophobicContact CD1-CD2 3.49Å; Y30-F173 VanDerWaalsContact CD1-CD2 3.49Å; Y30-F173 HydrophobicContact CD1-CE2 4.28Å; Y30-F173 HydrophobicContact CD1-CG 4.34Å; Y30-F173 HydrophobicContact CD2-CB 3.99Å; Y30-F173 HydrophobicContact CD2-CD2 4.49Å; Y30-F173 HydrophobicContact CE1-CB 4.36Å; Y30-F173 AromaticContact CE1-CD2 3.99Å; Y30-F173 HydrophobicContact CE1-CD2 3.99Å; Y30-F173 HydrophobicContact CE2-CB 4.02Å; Y30-F173 HydrophobicContact CG-CB 4.13Å; Y30-F173 AromaticContact CG-CD2 3.79Å; Y30-F173 HydrophobicContact CG-CD2 3.79Å; Y30-F173 HydrophobicContact CG-CG 4.49Å; Y30-S178 WeakPolarHBondContact OH-CB 3.45Å; Y30-S178 PolarHBondContact OH-OG 3.46Å; Y30-E179 WeakPolarHBondContact CE2-O 3.46Å; Y30-E179 PolarHBondContact OH-O 2.89Å; Y30-E179 VanDerWaalsContact OH-O 3.06Å; Y30-L181 HydrophobicContact CD2-CD1 3.87Å; Y30-L181 HydrophobicContact CD2-CG 4.3Å; Y30-L181 HydrophobicContact CE1-CD1 4.43Å; Y30-L181 HydrophobicContact CE2-CD1 3.65Å; Y30-L181 HydrophobicContact CE2-CG 3.67Å; Y30-L181 HydrophobicContact CG-CD1 4.36Å |
| 31 | H | 86.5 | Confident | 79.8 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 178.4 | -66.6 | -34.4 | 0 | 0 | 0 | 112.9 | H9 E12 L13 C27 H28 T29 Y34 L35 F173 | H9-H31 HydrophobicContact CB-CB 4.49Å; H9-H31 AromaticContact CE1-CE1 3.92Å; H9-H31 AromaticContact CE1-ND1 3.56Å; H9-H31 AromaticContact ND1-CE1 3.49Å; H9-H31 PolarHBondContact ND1-CE1 2.9Å; H9-H31 AromaticContact ND1-CG 3.74Å; H9-H31 AromaticContact ND1-ND1 2.88Å; H9-H31 PolarHBondContact ND1-ND1 2.9Å; E12-H31 WeakPolarHBondContact CB-CD2 3.32Å; L13-H31 HydrophobicContact CD2-CB 4.08Å; L13-H31 HydrophobicContact CG-CB 4.16Å; C27-H31 PolarHBondContact O-CD2 3.48Å; C27-H31 VanDerWaalsContact O-CG 3.25Å; C27-H31 PolarHBondContact O-N 2.63Å; H28-H31 PolarHBondContact O-N 2.89Å; T29-H31 PolarHBondContact O-N 3.36Å; H31-Y34 PolarHBondContact O-N 3.45Å; H31-L35 VanDerWaalsContact O-CG 3.32Å; H31-L35 WeakPolarHBondContact O-CG 3.46Å; H31-L35 PolarHBondContact O-N 3.12Å; H31-F173 AromaticContact CE1-CE2 3.44Å; H31-F173 VanDerWaalsContact CE1-CE2 3.44Å; H31-F173 WeakPolarHBondContact CE1-CE2 3.39Å; H31-F173 AromaticContact NE2-CE2 3.62Å |
| 32 | L | 87.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 172.8 | 177.6 | 63.6 | 0 | 0 | 0 | 111.5 | L13 H28 T29 Y30 Y34 L35 L36 F66 L69 V76 L77 I94 | L13-L32 HydrophobicContact CD1-CB 4.34Å; L13-L32 HydrophobicContact CD1-CD1 4.42Å; L13-L32 HydrophobicContact CD2-CB 4.43Å; H28-L32 PolarHBondContact O-N 3.02Å; T29-L32 PolarHBondContact O-N 3.17Å; Y30-L32 PolarHBondContact O-N 3.23Å; L32-Y34 VanDerWaalsContact C-N 3.3Å; L32-Y34 PolarHBondContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 2.95Å; L32-L36 HydrophobicContact CD1-CD1 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.14Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.11Å; L32-L36 VanDerWaalsContact O-N 3.08Å; L32-F66 HydrophobicContact CD1-CD1 3.76Å; L32-F66 HydrophobicContact CD1-CE1 4.1Å; L32-L69 HydrophobicContact CD1-CD2 4.44Å; L32-V76 HydrophobicContact CD2-CG1 4.18Å; L32-V76 HydrophobicContact CD2-CG2 4.28Å; L32-L77 HydrophobicContact CD2-CD2 3.62Å; L32-I94 HydrophobicContact CD2-CD1 4.38Å |
| 33 | C | 87.7 | Confident | 82 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | T29 Y30 L36 C37 L181 L183 | T29-C33 PolarHBondContact O-N 3.48Å; T29-C33 PolarHBondContact O-SG 3.3Å; Y30-C33 PolarHBondContact O-N 3.17Å; C33-L36 PolarHBondContact O-N 3.22Å; C33-C37 WeakPolarHBondContact O-CB 3.37Å; C33-C37 PolarHBondContact O-N 3.17Å; C33-C37 PolarHBondContact O-SG 3.39Å; C33-L181 HydrophobicContact CB-CD1 3.91Å; C33-L183 HydrophobicContact CB-CD2 4.23Å |
| 34 | Y | 86.8 | Confident | 82.3 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 176.9 | -173.7 | -83.2 | 0 | 0 | 0 | 111.5 | H9 Y30 H31 L32 L36 C37 H38 L181 | H9-Y34 HydrophobicContact CB-CD1 4.42Å; H9-Y34 AromaticContact CD2-CD1 3.23Å; H9-Y34 WeakPolarHBondContact CD2-CD1 3.14Å; H9-Y34 AromaticContact CD2-CE1 3.22Å; H9-Y34 WeakPolarHBondContact CD2-CE1 3.39Å; H9-Y34 AromaticContact CD2-CG 4Å; H9-Y34 AromaticContact CD2-CZ 3.97Å; H9-Y34 AromaticContact CG-CD1 3.7Å; H9-Y34 AromaticContact NE2-CD1 3.52Å; H9-Y34 AromaticContact NE2-CE1 3.38Å; H9-Y34 WeakPolarHBondContact NE2-CE1 3.3Å; H9-Y34 AromaticContact NE2-CG 3.89Å; H9-Y34 AromaticContact NE2-CZ 3.63Å; Y30-Y34 HydrophobicContact CE1-CD2 4.32Å; Y30-Y34 WeakPolarHBondContact O-CB 3.27Å; Y30-Y34 PolarHBondContact O-N 3.12Å; H31-Y34 PolarHBondContact O-N 3.45Å; L32-Y34 VanDerWaalsContact C-N 3.3Å; L32-Y34 PolarHBondContact O-N 3.1Å; Y34-L36 VanDerWaalsContact C-N 3.32Å; Y34-L36 PolarHBondContact O-N 3.34Å; Y34-C37 PolarHBondContact O-N 2.75Å; Y34-H38 AromaticContact CD2-CD2 3.63Å; Y34-H38 HydrophobicContact CE1-CB 4.38Å; Y34-H38 AromaticContact CE2-CD2 3.56Å; Y34-H38 AromaticContact CG-CD2 3.96Å; Y34-H38 AromaticContact CZ-CD2 3.84Å; Y34-H38 PolarHBondContact O-CD2 2.94Å; Y34-H38 PolarHBondContact O-N 3.36Å; Y34-L181 HydrophobicContact CD2-CD1 4.48Å; Y34-L181 HydrophobicContact CD2-CD2 4.16Å |
| 35 | L | 84.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 177.1 | -66.6 | 174 | 0 | 0 | 0 | 110.9 | H9 L13 H31 L32 C37 E39 I40 F66 | H9-L35 HydrophobicContact CB-CD1 4.49Å; H9-L35 HydrophobicContact CB-CD2 3.7Å; H9-L35 HydrophobicContact CB-CG 4Å; L13-L35 HydrophobicContact CD1-CD1 3.38Å; L13-L35 HydrophobicContact CG-CD1 4.41Å; H31-L35 VanDerWaalsContact O-CG 3.32Å; H31-L35 WeakPolarHBondContact O-CG 3.46Å; H31-L35 PolarHBondContact O-N 3.12Å; L32-L35 PolarHBondContact O-N 2.95Å; L35-C37 PolarHBondContact O-N 3.07Å; L35-E39 VanDerWaalsContact CD2-CD 3.41Å; L35-E39 HydrophobicContact CD2-CG 4.32Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.19Å; L35-E39 WeakPolarHBondContact O-CA 3.49Å; L35-E39 WeakPolarHBondContact O-CB 3.41Å; L35-E39 PolarHBondContact O-N 3.32Å; L35-I40 HydrophobicContact CB-CD1 4.17Å; L35-I40 PolarHBondContact O-N 2.89Å; L35-F66 HydrophobicContact CB-CZ 4.37Å; L35-F66 HydrophobicContact CD1-CE1 3.7Å; L35-F66 HydrophobicContact CD1-CZ 3.85Å |
| 36 | L | 85.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 177.7 | -72 | 167.1 | 0 | 0 | 0 | 113.8 | L32 C33 Y34 I40 W93 I94 L98 | L32-L36 HydrophobicContact CD1-CD1 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.14Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 3.11Å; L32-L36 VanDerWaalsContact O-N 3.08Å; C33-L36 PolarHBondContact O-N 3.22Å; Y34-L36 VanDerWaalsContact C-N 3.32Å; Y34-L36 PolarHBondContact O-N 3.34Å; L36-I40 HydrophobicContact CD2-CB 4.39Å; L36-I40 HydrophobicContact CD2-CD1 3.72Å; L36-I40 HydrophobicContact CD2-CG2 4.49Å; L36-I40 HydrophobicContact CG-CD1 4.15Å; L36-W93 HydrophobicContact CB-CH2 4.02Å; L36-W93 HydrophobicContact CB-CZ3 4.09Å; L36-W93 HydrophobicContact CD1-CZ3 4.15Å; L36-I94 HydrophobicContact CD1-CB 4.45Å; L36-I94 HydrophobicContact CD1-CG1 3.95Å; L36-I94 HydrophobicContact CD1-CG2 3.94Å; L36-L98 HydrophobicContact CD2-CD2 4.28Å |
| 37 | C | 82.6 | Confident | 82.9 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 19% | 0.189 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -78 | -40.7 | 179.2 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | C33 Y34 L35 V41 W93 | C33-C37 WeakPolarHBondContact O-CB 3.37Å; C33-C37 PolarHBondContact O-N 3.17Å; C33-C37 PolarHBondContact O-SG 3.39Å; Y34-C37 PolarHBondContact O-N 2.75Å; L35-C37 PolarHBondContact O-N 3.07Å; C37-V41 WeakPolarHBondContact O-CG2 3.24Å; C37-W93 WeakPolarHBondContact SG-CH2 3.45Å; C37-W93 VanDerWaalsContact SG-CZ2 3.56Å |
| 38 | H | 81.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 34.9 Ų | 34.9 | 32% | 0.319 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -114.4 | -23.8 | -165.1 | -60.4 | -62.2 | 0 | 0 | 0 | 113.9 | Y34 R44 L181 | Y34-H38 AromaticContact CD2-CD2 3.63Å; Y34-H38 HydrophobicContact CE1-CB 4.38Å; Y34-H38 AromaticContact CE2-CD2 3.56Å; Y34-H38 AromaticContact CG-CD2 3.96Å; Y34-H38 AromaticContact CZ-CD2 3.84Å; Y34-H38 PolarHBondContact O-CD2 2.94Å; Y34-H38 PolarHBondContact O-N 3.36Å; H38-R44 VanDerWaalsContact O-CZ 3.32Å; H38-R44 PolarHBondContact O-NH1 3.27Å; H38-L181 WeakPolarHBondContact NE2-CD2 3.43Å |
| 39 | E | 74.8 | Confident | 82.6 | Confident | 38 Ų | 38 | 35.1 Ų | 35.1 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -47.4 | -169.4 | -56.9 | -171 | -179.4 | 0 | 0 | 112.4 | S6 L35 V41 | S6-E39 WeakPolarHBondContact CA-OE1 3.4Å; S6-E39 WeakPolarHBondContact CA-OE2 3.26Å; S6-E39 VanDerWaalsContact CB-OE1 3.24Å; S6-E39 WeakPolarHBondContact CB-OE1 3.29Å; S6-E39 WeakPolarHBondContact CB-OE2 3.45Å; L35-E39 VanDerWaalsContact CD2-CD 3.41Å; L35-E39 HydrophobicContact CD2-CG 4.32Å; L35-E39 WeakPolarHBondContact CD2-OE2 3.19Å; L35-E39 WeakPolarHBondContact O-CA 3.49Å; L35-E39 WeakPolarHBondContact O-CB 3.41Å; L35-E39 PolarHBondContact O-N 3.32Å; E39-V41 PolarHBondContact O-N 3.4Å |
| 40 | I | 78.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -87.2 | 61.3 | 177.7 | -46.7 | 163.8 | 0 | 0 | 0 | 108.3 | L35 L36 L45 L63 F66 I101 | L35-I40 HydrophobicContact CB-CD1 4.17Å; L35-I40 PolarHBondContact O-N 2.89Å; L36-I40 HydrophobicContact CD2-CB 4.39Å; L36-I40 HydrophobicContact CD2-CD1 3.72Å; L36-I40 HydrophobicContact CD2-CG2 4.49Å; L36-I40 HydrophobicContact CG-CD1 4.15Å; I40-L45 HydrophobicContact CG2-CD1 3.83Å; I40-L63 HydrophobicContact CG2-CD2 4.38Å; I40-F66 HydrophobicContact CD1-CD2 3.73Å; I40-F66 HydrophobicContact CD1-CE1 4.09Å; I40-F66 HydrophobicContact CD1-CE2 3.15Å; I40-F66 HydrophobicContact CD1-CG 4.45Å; I40-F66 HydrophobicContact CD1-CZ 3.37Å; I40-F66 HydrophobicContact CG1-CE2 3.99Å; I40-F66 HydrophobicContact CG1-CZ 4.31Å; I40-I101 HydrophobicContact CG2-CD1 3.48Å; I40-I101 VanDerWaalsContact CG2-CD1 3.48Å; I40-I101 HydrophobicContact CG2-CG1 4.24Å |
| 41 | V | 78.2 | Confident | 82.2 | Confident | 41 Ų | 41 | 46.6 Ų | 46.6 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | trans | -107.2 | 139.7 | -179.4 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | C37 E39 D43 R44 L45 | C37-V41 WeakPolarHBondContact O-CG2 3.24Å; E39-V41 PolarHBondContact O-N 3.4Å; V41-D43 PolarHBondContact O-N 3.11Å; V41-R44 HydrophobicContact CB-CB 4.47Å; V41-R44 PolarHBondContact O-N 3.38Å; V41-R44 VanDerWaalsContact O-N 3.13Å; V41-L45 WeakPolarHBondContact O-CG 3.27Å; V41-L45 PolarHBondContact O-N 3.16Å | ||
| 42 | P | 77.7 | Confident | 81.7 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -50.5 | -51.9 | -174.8 | -27.3 | 34.5 | 0 | 0 | 0 | 113.2 | R44 L45 A46 A100 | P42-R44 VanDerWaalsContact C-N 3.33Å; P42-R44 PolarHBondContact O-N 3.47Å; P42-L45 PolarHBondContact O-N 3.14Å; P42-A46 WeakPolarHBondContact O-CB 3.08Å; P42-A46 PolarHBondContact O-N 2.91Å; P42-A100 HydrophobicContact CG-CB 4.38Å; P42-A100 WeakPolarHBondContact CG-O 3.44Å |
| 43 | D | 79.9 | Confident | 80.9 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | -178 | -61.1 | -28.6 | 0 | 0 | 0 | 113.2 | V41 E47 | V41-D43 PolarHBondContact O-N 3.11Å; D43-E47 WeakPolarHBondContact O-CB 3.23Å; D43-E47 PolarHBondContact O-N 2.6Å |
| 44 | R | 79.1 | Confident | 80.3 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 178.6 | -75 | -173.3 | 169.5 | -165.4 | -4.2 | 110.5 | H38 V41 P42 A46 E47 H48 | H38-R44 VanDerWaalsContact O-CZ 3.32Å; H38-R44 PolarHBondContact O-NH1 3.27Å; V41-R44 HydrophobicContact CB-CB 4.47Å; V41-R44 PolarHBondContact O-N 3.38Å; V41-R44 VanDerWaalsContact O-N 3.13Å; P42-R44 VanDerWaalsContact C-N 3.33Å; P42-R44 PolarHBondContact O-N 3.47Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.16Å; R44-E47 PolarHBondContact O-N 3.18Å; R44-H48 PolarHBondContact O-N 3Å; R44-H48 PolarHBondContact O-ND1 3.47Å |
| 45 | L | 81.8 | Confident | 80 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 178.1 | -68.6 | 173.5 | 0 | 0 | 0 | 111 | I40 V41 P42 H48 I49 C59 I101 | I40-L45 HydrophobicContact CG2-CD1 3.83Å; V41-L45 WeakPolarHBondContact O-CG 3.27Å; V41-L45 PolarHBondContact O-N 3.16Å; P42-L45 PolarHBondContact O-N 3.14Å; L45-H48 PolarHBondContact O-N 3.46Å; L45-I49 WeakPolarHBondContact O-CB 3.34Å; L45-I49 VanDerWaalsContact O-CG1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 2.69Å; L45-C59 HydrophobicContact CD2-CB 4.37Å; L45-I101 HydrophobicContact CD1-CB 4.42Å; L45-I101 HydrophobicContact CD1-CD1 4.21Å; L45-I101 HydrophobicContact CD1-CG1 4.04Å; L45-I101 HydrophobicContact CD1-CG2 3.61Å |
| 46 | A | 81.4 | Confident | 79.8 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P42 R44 R50 E106 | P42-A46 WeakPolarHBondContact O-CB 3.08Å; P42-A46 PolarHBondContact O-N 2.91Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3.16Å; A46-R50 WeakPolarHBondContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CG 3.39Å; A46-R50 PolarHBondContact O-N 3.04Å; A46-R50 PolarHBondContact O-NE 2.99Å; A46-E106 HydrophobicContact CB-CB 4.5Å |
| 47 | E | 84.3 | Confident | 79.6 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 173.5 | -172 | -177.6 | -175.1 | 0 | 0 | 111.8 | D43 R44 R50 S51 | D43-E47 WeakPolarHBondContact O-CB 3.23Å; D43-E47 PolarHBondContact O-N 2.6Å; R44-E47 PolarHBondContact O-N 3.18Å; E47-R50 PolarHBondContact O-N 3.36Å; E47-S51 PolarHBondContact O-N 2.93Å |
| 48 | H | 80.9 | Confident | 79.6 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 30% | 0.296 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 177.1 | -77.5 | 74.8 | 0 | 0 | 0 | 111 | R44 L45 R50 S51 N55 | R44-H48 PolarHBondContact O-N 3Å; R44-H48 PolarHBondContact O-ND1 3.47Å; L45-H48 PolarHBondContact O-N 3.46Å; H48-R50 VanDerWaalsContact C-N 3.34Å; H48-R50 PolarHBondContact O-N 3.44Å; H48-S51 PolarHBondContact O-N 3.46Å; H48-S51 VanDerWaalsContact O-N 3.14Å; H48-S51 PolarHBondContact O-OG 2.84Å; H48-N55 WeakPolarHBondContact O-CB 3.36Å; H48-N55 PolarHBondContact O-ND2 2.99Å |
| 49 | I | 81.4 | Confident | 79.6 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 179.6 | -67.8 | 163.5 | 0 | 0 | 0 | 111.3 | L45 S51 L56 E106 L110 | L45-I49 WeakPolarHBondContact O-CB 3.34Å; L45-I49 VanDerWaalsContact O-CG1 3.28Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 2.69Å; I49-S51 PolarHBondContact O-N 3.29Å; I49-L56 HydrophobicContact CD1-CD1 4.03Å; I49-L56 HydrophobicContact CG1-CD1 4.21Å; I49-L56 HydrophobicContact CG2-CD1 4.45Å; I49-E106 HydrophobicContact CG2-CB 4.29Å; I49-L110 HydrophobicContact CD1-CD1 3.92Å; I49-L110 HydrophobicContact CD1-CG 4.45Å |
| 50 | R | 81.3 | Confident | 80.1 | Confident | 163 Ų | 163 | 69.3 Ų | 69.3 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.7 | -32.7 | 176.1 | -81.2 | -177.8 | -77.1 | 173.8 | -6.6 | 113.2 | A46 E47 H48 E106 | A46-R50 WeakPolarHBondContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CG 3.39Å; A46-R50 PolarHBondContact O-N 3.04Å; A46-R50 PolarHBondContact O-NE 2.99Å; E47-R50 PolarHBondContact O-N 3.36Å; H48-R50 VanDerWaalsContact C-N 3.34Å; H48-R50 PolarHBondContact O-N 3.44Å; R50-E106 WeakPolarHBondContact CD-OE1 3.33Å; R50-E106 HydrophobicContact CG-CG 3.92Å; R50-E106 IonicContact NE-OE1 3.14Å |
| 51 | S | 83.4 | Confident | 80.3 | Confident | 86 Ų | 86 | 75 Ų | 75 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -76.4 | -26.8 | -173.8 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | E47 H48 I49 N55 | E47-S51 PolarHBondContact O-N 2.93Å; H48-S51 PolarHBondContact O-N 3.46Å; H48-S51 VanDerWaalsContact O-N 3.14Å; H48-S51 PolarHBondContact O-OG 2.84Å; I49-S51 PolarHBondContact O-N 3.29Å; S51-N55 PolarHBondContact OG-ND2 3.26Å |
| 52 | N | 76.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -166.8 | 146.1 | 174.3 | -170.6 | -5.2 | 0 | 0 | 0 | 112.2 | E54 N55 | N52-E54 VanDerWaalsContact C-N 3.26Å; N52-E54 PolarHBondContact ND2-OE2 3.38Å; N52-E54 PolarHBondContact O-N 3.47Å; N52-E54 PolarHBondContact OD1-N 2.88Å; N52-N55 PolarHBondContact N-ND2 2.91Å; N52-N55 VanDerWaalsContact O-CB 3.23Å; N52-N55 WeakPolarHBondContact O-CB 3.2Å; N52-N55 PolarHBondContact O-N 2.87Å | ||
| 53 | K | 71.6 | Confident | 80.8 | Confident | 191 Ų | 191 | 74.1 Ų | 74.1 | 83% | 0.83 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.6 | -33 | 171.6 | -74.5 | -170 | 177.7 | -174.8 | 0 | 113.6 | N55 L56 | K53-N55 PolarHBondContact O-N 3.43Å; K53-L56 PolarHBondContact O-N 3.45Å |
| 54 | E | 74.7 | Confident | 81.1 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 67% | 0.668 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.3 | -27.1 | 175 | -67.4 | -178.6 | 158.3 | 0 | 0 | 111.9 | N52 S57 F58 | N52-E54 VanDerWaalsContact C-N 3.26Å; N52-E54 PolarHBondContact ND2-OE2 3.38Å; N52-E54 PolarHBondContact O-N 3.47Å; N52-E54 PolarHBondContact OD1-N 2.88Å; E54-S57 WeakPolarHBondContact O-CB 3.19Å; E54-S57 PolarHBondContact O-N 3.38Å; E54-F58 PolarHBondContact O-N 3.12Å |
| 55 | N | 79.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72.1 | -29.9 | 179.2 | -60.2 | -23 | 0 | 0 | 0 | 112.3 | H48 S51 N52 K53 S57 F58 C59 | H48-N55 WeakPolarHBondContact O-CB 3.36Å; H48-N55 PolarHBondContact O-ND2 2.99Å; S51-N55 PolarHBondContact OG-ND2 3.26Å; N52-N55 PolarHBondContact N-ND2 2.91Å; N52-N55 VanDerWaalsContact O-CB 3.23Å; N52-N55 WeakPolarHBondContact O-CB 3.2Å; N52-N55 PolarHBondContact O-N 2.87Å; K53-N55 PolarHBondContact O-N 3.43Å; N55-S57 VanDerWaalsContact C-N 3.35Å; N55-F58 WeakPolarHBondContact O-CB 3.32Å; N55-F58 PolarHBondContact O-N 3.11Å; N55-C59 WeakPolarHBondContact O-CB 3.35Å; N55-C59 PolarHBondContact O-N 3.33Å; N55-C59 PolarHBondContact O-SG 2.81Å |
| 56 | L | 80.7 | Confident | 81.6 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 172.4 | -179.5 | 66.7 | 0 | 0 | 0 | 111.1 | I49 K53 F58 C59 S60 P109 L110 | I49-L56 HydrophobicContact CD1-CD1 4.03Å; I49-L56 HydrophobicContact CG1-CD1 4.21Å; I49-L56 HydrophobicContact CG2-CD1 4.45Å; K53-L56 PolarHBondContact O-N 3.45Å; L56-F58 VanDerWaalsContact C-N 3.27Å; L56-F58 PolarHBondContact O-N 3.38Å; L56-C59 PolarHBondContact O-N 3.2Å; L56-S60 WeakPolarHBondContact O-CB 3.37Å; L56-S60 PolarHBondContact O-N 3.45Å; L56-P109 HydrophobicContact CD1-CB 4Å; L56-P109 HydrophobicContact CD1-CG 4.3Å; L56-P109 HydrophobicContact CD2-CB 3.94Å; L56-P109 HydrophobicContact CD2-CG 4.17Å; L56-L110 HydrophobicContact CD1-CD2 3.74Å; L56-L110 HydrophobicContact CD1-CG 4.07Å |
| 57 | S | 82.1 | Confident | 81.8 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 175.2 | 180 | 0 | 0 | 0 | 0 | 111.3 | E54 N55 K61 | E54-S57 WeakPolarHBondContact O-CB 3.19Å; E54-S57 PolarHBondContact O-N 3.38Å; N55-S57 VanDerWaalsContact C-N 3.35Å; S57-K61 VanDerWaalsContact O-CG 3.31Å; S57-K61 WeakPolarHBondContact O-CG 3.22Å; S57-K61 PolarHBondContact O-N 3.18Å; S57-K61 VanDerWaalsContact O-N 3.11Å |
| 58 | F | 81.5 | Confident | 82 | Confident | 85 Ų | 85 | 68 Ų | 68 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -53.6 | 174.9 | 179.1 | -96.8 | 0 | 0 | 0 | 112.5 | E54 N55 L56 S60 K61 E62 | E54-F58 PolarHBondContact O-N 3.12Å; N55-F58 WeakPolarHBondContact O-CB 3.32Å; N55-F58 PolarHBondContact O-N 3.11Å; L56-F58 VanDerWaalsContact C-N 3.27Å; L56-F58 PolarHBondContact O-N 3.38Å; F58-S60 VanDerWaalsContact C-N 3.28Å; F58-S60 PolarHBondContact O-N 2.75Å; F58-K61 WeakPolarHBondContact O-CB 3.08Å; F58-K61 PolarHBondContact O-N 2.82Å; F58-E62 HydrophobicContact CD1-CG 4.44Å; F58-E62 HydrophobicContact CE1-CG 3.99Å; F58-E62 WeakPolarHBondContact CE1-OE1 3.05Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.33Å; F58-E62 HydrophobicContact CZ-CG 4.06Å; F58-E62 WeakPolarHBondContact CZ-OE1 3.06Å; F58-E62 PolarHBondContact O-N 2.84Å |
| 59 | C | 82 | Confident | 82.3 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.02 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 178.3 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | L45 N55 L56 E62 L63 L110 | L45-C59 HydrophobicContact CD2-CB 4.37Å; N55-C59 WeakPolarHBondContact O-CB 3.35Å; N55-C59 PolarHBondContact O-N 3.33Å; N55-C59 PolarHBondContact O-SG 2.81Å; L56-C59 PolarHBondContact O-N 3.2Å; C59-E62 PolarHBondContact O-N 2.82Å; C59-L63 PolarHBondContact O-N 3.31Å; C59-L110 HydrophobicContact CB-CD1 4.07Å; C59-L110 HydrophobicContact CB-CD2 4.33Å |
| 60 | S | 84.5 | Confident | 82.5 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 172.7 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | L56 F58 E62 L63 E64 | L56-S60 WeakPolarHBondContact O-CB 3.37Å; L56-S60 PolarHBondContact O-N 3.45Å; F58-S60 VanDerWaalsContact C-N 3.28Å; F58-S60 PolarHBondContact O-N 2.75Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.32Å; S60-L63 PolarHBondContact O-N 2.77Å; S60-E64 WeakPolarHBondContact O-CB 3.48Å; S60-E64 VanDerWaalsContact O-CG 3.27Å; S60-E64 WeakPolarHBondContact O-CG 3.19Å; S60-E64 PolarHBondContact O-N 2.67Å; S60-E64 PolarHBondContact OG-OE1 3.4Å; S60-E64 VanDerWaalsContact OG-OE1 3.14Å |
| 61 | K | 84.2 | Confident | 82.8 | Confident | 131 Ų | 131 | 59 Ų | 59 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65 | -35.2 | 178 | -74.2 | 174.4 | -177.3 | 179.8 | 0 | 113.1 | S57 F58 E64 F65 | S57-K61 VanDerWaalsContact O-CG 3.31Å; S57-K61 WeakPolarHBondContact O-CG 3.22Å; S57-K61 PolarHBondContact O-N 3.18Å; S57-K61 VanDerWaalsContact O-N 3.11Å; F58-K61 WeakPolarHBondContact O-CB 3.08Å; F58-K61 PolarHBondContact O-N 2.82Å; K61-E64 PolarHBondContact O-N 3.4Å; K61-F65 WeakPolarHBondContact O-CB 3.17Å; K61-F65 PolarHBondContact O-N 3.09Å |
| 62 | E | 81.2 | Confident | 83 | Confident | 43 Ų | 43 | 59.6 Ų | 59.6 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 174.2 | -70.6 | -173.9 | 139.7 | 0 | 0 | 111 | F58 C59 S60 F65 F66 | F58-E62 HydrophobicContact CD1-CG 4.44Å; F58-E62 HydrophobicContact CE1-CG 3.99Å; F58-E62 WeakPolarHBondContact CE1-OE1 3.05Å; F58-E62 WeakPolarHBondContact CE1-OE2 3.33Å; F58-E62 HydrophobicContact CZ-CG 4.06Å; F58-E62 WeakPolarHBondContact CZ-OE1 3.06Å; F58-E62 PolarHBondContact O-N 2.84Å; C59-E62 PolarHBondContact O-N 2.82Å; S60-E62 VanDerWaalsContact C-N 3.34Å; S60-E62 PolarHBondContact O-N 3.32Å; E62-F65 WeakPolarHBondContact O-CB 3.29Å; E62-F65 PolarHBondContact O-N 3.13Å; E62-F66 HydrophobicContact CB-CE2 4.24Å; E62-F66 WeakPolarHBondContact O-CD2 3.32Å; E62-F66 WeakPolarHBondContact O-CE2 3.48Å; E62-F66 PolarHBondContact O-N 3.18Å |
| 63 | L | 85.1 | Confident | 83.4 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62 | -43 | 174 | -69.8 | 179 | 0 | 0 | 0 | 112.2 | I40 C59 S60 F65 F66 G67 L98 I101 L110 E113 V114 I117 | I40-L63 HydrophobicContact CG2-CD2 4.38Å; C59-L63 PolarHBondContact O-N 3.31Å; S60-L63 PolarHBondContact O-N 2.77Å; L63-F65 VanDerWaalsContact C-N 3.26Å; L63-F65 PolarHBondContact O-N 3.33Å; L63-F66 HydrophobicContact CD2-CD2 4.47Å; L63-F66 PolarHBondContact O-N 2.94Å; L63-F66 VanDerWaalsContact O-N 3.11Å; L63-G67 PolarHBondContact O-N 2.63Å; L63-L98 HydrophobicContact CD2-CD2 4.42Å; L63-I101 HydrophobicContact CD2-CD1 4.11Å; L63-L110 HydrophobicContact CD1-CB 3.85Å; L63-L110 HydrophobicContact CD1-CD1 3.94Å; L63-L110 HydrophobicContact CD1-CD2 4.22Å; L63-L110 HydrophobicContact CD1-CG 4.22Å; L63-E113 HydrophobicContact CB-CG 3.7Å; L63-V114 HydrophobicContact CD1-CG2 4.07Å; L63-I117 HydrophobicContact CB-CD1 4.06Å; L63-I117 HydrophobicContact CD2-CD1 4.35Å; L63-I117 VanDerWaalsContact O-CD1 3.22Å; L63-I117 WeakPolarHBondContact O-CD1 3.22Å |
| 64 | E | 86.4 | Confident | 84.2 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 173.9 | -75.7 | 166.8 | -150.9 | 0 | 0 | 111.8 | S60 K61 G67 K68 E113 | S60-E64 WeakPolarHBondContact O-CB 3.48Å; S60-E64 VanDerWaalsContact O-CG 3.27Å; S60-E64 WeakPolarHBondContact O-CG 3.19Å; S60-E64 PolarHBondContact O-N 2.67Å; S60-E64 PolarHBondContact OG-OE1 3.4Å; S60-E64 VanDerWaalsContact OG-OE1 3.14Å; K61-E64 PolarHBondContact O-N 3.4Å; E64-G67 PolarHBondContact O-N 3.16Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 3.39Å; E64-E113 WeakPolarHBondContact CA-OE1 3.21Å; E64-E113 HydrophobicContact CG-CG 4.33Å |
| 65 | F | 85.5 | Confident | 84.7 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | 173.9 | 169.3 | -98.3 | 0 | 0 | 0 | 111.8 | L10 L13 L14 F17 K61 E62 L63 G67 K68 L69 | L10-F65 HydrophobicContact CD1-CD1 3.87Å; L10-F65 HydrophobicContact CD1-CE1 3.59Å; L10-F65 HydrophobicContact CD1-CZ 4.3Å; L13-F65 HydrophobicContact CB-CE1 4.25Å; L13-F65 HydrophobicContact CB-CZ 4.13Å; L14-F65 HydrophobicContact CD2-CD2 4.08Å; L14-F65 HydrophobicContact CD2-CE2 3.39Å; L14-F65 HydrophobicContact CD2-CZ 3.83Å; L14-F65 HydrophobicContact CG-CE2 4.2Å; L14-F65 HydrophobicContact CG-CZ 4.12Å; F17-F65 AromaticContact CD2-CE2 3.98Å; F17-F65 HydrophobicContact CD2-CE2 3.98Å; F17-F65 HydrophobicContact CE2-CD2 4.41Å; F17-F65 AromaticContact CE2-CE2 3.52Å; F17-F65 HydrophobicContact CE2-CE2 3.52Å; F17-F65 HydrophobicContact CE2-CZ 4.06Å; K61-F65 WeakPolarHBondContact O-CB 3.17Å; K61-F65 PolarHBondContact O-N 3.09Å; E62-F65 WeakPolarHBondContact O-CB 3.29Å; E62-F65 PolarHBondContact O-N 3.13Å; L63-F65 VanDerWaalsContact C-N 3.26Å; L63-F65 PolarHBondContact O-N 3.33Å; F65-G67 VanDerWaalsContact C-N 3.32Å; F65-G67 PolarHBondContact O-N 3.01Å; F65-K68 PolarHBondContact O-N 2.95Å; F65-L69 HydrophobicContact CE1-CD2 4.37Å; F65-L69 WeakPolarHBondContact O-CB 3.44Å; F65-L69 PolarHBondContact O-N 3.19Å |
| 66 | F | 84.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.6 | -67.3 | -59.7 | 0 | 0 | 0 | 112.1 | L13 L32 L35 I40 E62 L63 K68 L69 I70 | L13-F66 HydrophobicContact CD1-CE1 4.18Å; L32-F66 HydrophobicContact CD1-CD1 3.76Å; L32-F66 HydrophobicContact CD1-CE1 4.1Å; L35-F66 HydrophobicContact CB-CZ 4.37Å; L35-F66 HydrophobicContact CD1-CE1 3.7Å; L35-F66 HydrophobicContact CD1-CZ 3.85Å; I40-F66 HydrophobicContact CD1-CD2 3.73Å; I40-F66 HydrophobicContact CD1-CE1 4.09Å; I40-F66 HydrophobicContact CD1-CE2 3.15Å; I40-F66 HydrophobicContact CD1-CG 4.45Å; I40-F66 HydrophobicContact CD1-CZ 3.37Å; I40-F66 HydrophobicContact CG1-CE2 3.99Å; I40-F66 HydrophobicContact CG1-CZ 4.31Å; E62-F66 HydrophobicContact CB-CE2 4.24Å; E62-F66 WeakPolarHBondContact O-CD2 3.32Å; E62-F66 WeakPolarHBondContact O-CE2 3.48Å; E62-F66 PolarHBondContact O-N 3.18Å; L63-F66 HydrophobicContact CD2-CD2 4.47Å; L63-F66 PolarHBondContact O-N 2.94Å; L63-F66 VanDerWaalsContact O-N 3.11Å; F66-K68 PolarHBondContact O-N 3.04Å; F66-L69 PolarHBondContact O-N 3.48Å; F66-I70 WeakPolarHBondContact O-CG1 3.38Å; F66-I70 PolarHBondContact O-N 2.73Å |
| 67 | G | 86.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L63 E64 F65 I70 S71 | L63-G67 PolarHBondContact O-N 2.63Å; E64-G67 PolarHBondContact O-N 3.16Å; F65-G67 VanDerWaalsContact C-N 3.32Å; F65-G67 PolarHBondContact O-N 3.01Å; G67-I70 PolarHBondContact O-N 2.79Å; G67-S71 WeakPolarHBondContact O-CB 3.32Å; G67-S71 PolarHBondContact O-N 2.79Å; G67-S71 PolarHBondContact O-OG 2.8Å; G67-S71 VanDerWaalsContact O-OG 3.09Å |
| 68 | K | 87.7 | Confident | 85.4 | Confident | 98 Ų | 98 | 44.5 Ų | 44.5 | 43% | 0.426 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.9 | -172.1 | -177.6 | 179.5 | -172 | 0 | 112 | E64 F65 F66 S71 E72 | E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 PolarHBondContact O-N 3.39Å; F65-K68 PolarHBondContact O-N 2.95Å; F66-K68 PolarHBondContact O-N 3.04Å; K68-S71 WeakPolarHBondContact CA-OG 3.44Å; K68-S71 PolarHBondContact O-N 3.1Å; K68-S71 PolarHBondContact O-OG 3.25Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact CE-OE2 3.38Å; K68-E72 HydrophobicContact CG-CG 4.18Å; K68-E72 IonicContact NZ-OE1 3.72Å; K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 PolarHBondContact O-N 3.36Å |
| 69 | L | 87 | Confident | 85.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -51.1 | 176.8 | 175.8 | 65.8 | 0 | 0 | 0 | 111.3 | L13 I16 F17 L32 F65 F66 S71 R73 V76 | L13-L69 HydrophobicContact CB-CD2 4.37Å; L13-L69 HydrophobicContact CD1-CD2 3.93Å; L13-L69 HydrophobicContact CD2-CD2 4.1Å; L13-L69 HydrophobicContact CG-CD2 4.38Å; I16-L69 HydrophobicContact CD1-CD1 3.6Å; F17-L69 HydrophobicContact CE2-CB 4.42Å; F17-L69 HydrophobicContact CE2-CD1 3.94Å; F17-L69 HydrophobicContact CZ-CB 4.36Å; F17-L69 HydrophobicContact CZ-CD1 4.14Å; L32-L69 HydrophobicContact CD1-CD2 4.44Å; F65-L69 HydrophobicContact CE1-CD2 4.37Å; F65-L69 WeakPolarHBondContact O-CB 3.44Å; F65-L69 PolarHBondContact O-N 3.19Å; F66-L69 PolarHBondContact O-N 3.48Å; L69-S71 VanDerWaalsContact C-N 3.34Å; L69-S71 PolarHBondContact O-N 3.44Å; L69-R73 HydrophobicContact CD1-CB 4.32Å; L69-R73 CarbonylContact O-C 3.57Å; L69-R73 WeakPolarHBondContact O-CA 3.48Å; L69-R73 WeakPolarHBondContact O-CB 3.21Å; L69-R73 PolarHBondContact O-N 3.35Å; L69-V76 HydrophobicContact CG-CG1 4.36Å |
| 70 | I | 87.2 | Confident | 85.5 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.4 | -67.4 | 167.7 | 0 | 0 | 0 | 111 | F66 G67 P74 L77 I117 I121 L124 | F66-I70 WeakPolarHBondContact O-CG1 3.38Å; F66-I70 PolarHBondContact O-N 2.73Å; G67-I70 PolarHBondContact O-N 2.79Å; I70-P74 WeakPolarHBondContact O-CA 3.48Å; I70-L77 HydrophobicContact CG1-CD1 4.49Å; I70-L77 HydrophobicContact CG2-CD1 4.1Å; I70-I117 HydrophobicContact CD1-CG2 3.89Å; I70-I121 HydrophobicContact CD1-CD1 3.99Å; I70-I121 HydrophobicContact CD1-CG1 4.04Å; I70-I121 HydrophobicContact CG2-CG1 3.95Å; I70-L124 HydrophobicContact CG2-CD1 3.83Å |
| 71 | S | 87 | Confident | 85.4 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 42% | 0.42 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.4 | -41.3 | -177.5 | 64.6 | 0 | 0 | 0 | 0 | 114 | G67 K68 L69 | G67-S71 WeakPolarHBondContact O-CB 3.32Å; G67-S71 PolarHBondContact O-N 2.79Å; G67-S71 PolarHBondContact O-OG 2.8Å; G67-S71 VanDerWaalsContact O-OG 3.09Å; K68-S71 WeakPolarHBondContact CA-OG 3.44Å; K68-S71 PolarHBondContact O-N 3.1Å; K68-S71 PolarHBondContact O-OG 3.25Å; L69-S71 VanDerWaalsContact C-N 3.34Å; L69-S71 PolarHBondContact O-N 3.44Å |
| 72 | E | 87.2 | Confident | 85.3 | Confident | 99 Ų | 99 | 51 Ų | 51 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -88.6 | -23.9 | -175.9 | -67 | -175.7 | -174.7 | 0 | 0 | 112.2 | F17 K68 | F17-E72 HydrophobicContact CE1-CB 4.36Å; F17-E72 WeakPolarHBondContact CE1-OE2 3.19Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact CE-OE2 3.38Å; K68-E72 HydrophobicContact CG-CG 4.18Å; K68-E72 IonicContact NZ-OE1 3.72Å; K68-E72 WeakPolarHBondContact O-CB 3.4Å; K68-E72 PolarHBondContact O-N 3.36Å |
| 73 | R | 86.3 | Confident | 85.5 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | trans | -136.8 | 61 | -174.9 | -61.1 | -68.3 | -168.2 | -159.6 | 3.8 | 111.6 | I16 F17 V24 L69 E75 V76 | I16-R73 HydrophobicContact CG2-CB 4.2Å; I16-R73 HydrophobicContact CG2-CG 3.65Å; F17-R73 HydrophobicContact CE1-CG 4.49Å; V24-R73 HydrophobicContact CG2-CB 4.35Å; L69-R73 HydrophobicContact CD1-CB 4.32Å; L69-R73 CarbonylContact O-C 3.57Å; L69-R73 WeakPolarHBondContact O-CA 3.48Å; L69-R73 WeakPolarHBondContact O-CB 3.21Å; L69-R73 PolarHBondContact O-N 3.35Å; R73-E75 VanDerWaalsContact CA-OE2 3.23Å; R73-E75 WeakPolarHBondContact CA-OE2 3.23Å; R73-E75 PolarHBondContact O-N 3.36Å; R73-V76 VanDerWaalsContact O-CG1 3.31Å; R73-V76 WeakPolarHBondContact O-CG1 3.46Å; R73-V76 PolarHBondContact O-N 2.82Å | ||
| 74 | P | 86.5 | Confident | 85.6 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.6 | 178.9 | 27.7 | -36.5 | 0 | 0 | 0 | 113.1 | I70 V76 L77 T78 L124 | I70-P74 WeakPolarHBondContact O-CA 3.48Å; P74-V76 PolarHBondContact O-N 3.2Å; P74-V76 VanDerWaalsContact O-N 3.1Å; P74-L77 PolarHBondContact O-N 3.34Å; P74-T78 PolarHBondContact O-N 3Å; P74-L124 HydrophobicContact CB-CD1 3.84Å; P74-L124 HydrophobicContact CB-CD2 3.79Å; P74-L124 HydrophobicContact CB-CG 4.47Å; P74-L124 HydrophobicContact CG-CD2 4.45Å |
| 75 | E | 87 | Confident | 85.6 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.7 | -24.7 | 170.3 | -62 | 88.5 | 168.2 | 0 | 0 | 113.5 | V24 R73 L77 T78 R79 | V24-E75 HydrophobicContact CB-CB 3.8Å; V24-E75 HydrophobicContact CG1-CB 4.19Å; V24-E75 HydrophobicContact CG2-CB 3.99Å; R73-E75 VanDerWaalsContact CA-OE2 3.23Å; R73-E75 WeakPolarHBondContact CA-OE2 3.23Å; R73-E75 PolarHBondContact O-N 3.36Å; E75-L77 PolarHBondContact O-N 2.82Å; E75-T78 WeakPolarHBondContact CA-OG1 3.22Å; E75-T78 PolarHBondContact O-N 3.33Å; E75-R79 HydrophobicContact CB-CG 3.97Å; E75-R79 VanDerWaalsContact O-CB 3.32Å; E75-R79 WeakPolarHBondContact O-CB 3.37Å; E75-R79 PolarHBondContact O-N 3.14Å |
| 76 | V | 86.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.6 | -21 | 175.7 | 77.2 | 0 | 0 | 0 | 0 | 112.6 | L13 V24 H28 T29 L32 L69 R73 P74 | L13-V76 HydrophobicContact CD2-CG2 4.48Å; V24-V76 HydrophobicContact CG1-CB 4.04Å; V24-V76 HydrophobicContact CG1-CG2 4.37Å; H28-V76 HydrophobicContact CB-CG2 4.02Å; T29-V76 VanDerWaalsContact CB-O 3.3Å; T29-V76 WeakPolarHBondContact CB-O 3.32Å; T29-V76 WeakPolarHBondContact CG2-O 3.47Å; T29-V76 PolarHBondContact OG1-O 3.04Å; L32-V76 HydrophobicContact CD2-CG1 4.18Å; L32-V76 HydrophobicContact CD2-CG2 4.28Å; L69-V76 HydrophobicContact CG-CG1 4.36Å; R73-V76 VanDerWaalsContact O-CG1 3.31Å; R73-V76 WeakPolarHBondContact O-CG1 3.46Å; R73-V76 PolarHBondContact O-N 2.82Å; P74-V76 PolarHBondContact O-N 3.2Å; P74-V76 VanDerWaalsContact O-N 3.1Å |
| 77 | L | 87 | Confident | 85.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -100.9 | -34.9 | 175.9 | -56.6 | -177.4 | 0 | 0 | 0 | 111.8 | L32 I70 P74 E75 F87 L90 I94 L124 | L32-L77 HydrophobicContact CD2-CD2 3.62Å; I70-L77 HydrophobicContact CG1-CD1 4.49Å; I70-L77 HydrophobicContact CG2-CD1 4.1Å; P74-L77 PolarHBondContact O-N 3.34Å; E75-L77 PolarHBondContact O-N 2.82Å; L77-F87 HydrophobicContact CB-CD2 4.16Å; L77-F87 HydrophobicContact CB-CE2 3.84Å; L77-L90 HydrophobicContact CD2-CD2 4.45Å; L77-I94 HydrophobicContact CD2-CD1 3.39Å; L77-L124 HydrophobicContact CD1-CD1 4.25Å |
| 78 | T | 83.8 | Confident | 86.1 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -90.3 | -26.5 | -171.3 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | P74 E75 Y80 F87 | P74-T78 PolarHBondContact O-N 3Å; E75-T78 WeakPolarHBondContact CA-OG1 3.22Å; E75-T78 PolarHBondContact O-N 3.33Å; T78-Y80 VanDerWaalsContact C-N 3.32Å; T78-Y80 PolarHBondContact O-N 3.1Å; T78-F87 HydrophobicContact CG2-CD2 3.74Å; T78-F87 HydrophobicContact CG2-CE2 3.45Å; T78-F87 VanDerWaalsContact CG2-CE2 3.45Å; T78-F87 HydrophobicContact CG2-CG 4.44Å; T78-F87 HydrophobicContact CG2-CZ 3.94Å |
| 79 | R | 80.8 | Confident | 86.2 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 45% | 0.445 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -80.8 | -8.4 | -175.6 | -73.6 | -172.4 | 177.8 | -168.7 | -0.8 | 114.9 | V24 E75 | V24-R79 WeakPolarHBondContact O-CD 3.35Å; V24-R79 PolarHBondContact O-NH1 3.23Å; E75-R79 HydrophobicContact CB-CG 3.97Å; E75-R79 VanDerWaalsContact O-CB 3.32Å; E75-R79 WeakPolarHBondContact O-CB 3.37Å; E75-R79 PolarHBondContact O-N 3.14Å |
| 80 | Y | 83 | Confident | 86.4 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -67.1 | -42.4 | -179.7 | -174.9 | -91.1 | 0 | 0 | 0 | 112.7 | Q26 T29 T78 F86 V171 R172 | Q26-Y80 HydrophobicContact CB-CD2 4.03Å; Q26-Y80 HydrophobicContact CB-CE2 4.49Å; Q26-Y80 PolarHBondContact NE2-O 3.43Å; T29-Y80 HydrophobicContact CG2-CD2 4.04Å; T29-Y80 HydrophobicContact CG2-CG 4Å; T78-Y80 VanDerWaalsContact C-N 3.32Å; T78-Y80 PolarHBondContact O-N 3.1Å; Y80-F86 AromaticContact CD1-CD1 3.96Å; Y80-F86 HydrophobicContact CD1-CD1 3.96Å; Y80-F86 AromaticContact CD1-CE1 3.13Å; Y80-F86 HydrophobicContact CD1-CE1 3.13Å; Y80-F86 HydrophobicContact CD1-CE2 4.16Å; Y80-F86 AromaticContact CD1-CZ 3.25Å; Y80-F86 HydrophobicContact CD1-CZ 3.25Å; Y80-F86 AromaticContact CE1-CE1 3.69Å; Y80-F86 HydrophobicContact CE1-CE1 3.69Å; Y80-F86 AromaticContact CE1-CE2 3.85Å; Y80-F86 HydrophobicContact CE1-CE2 3.85Å; Y80-F86 AromaticContact CE1-CZ 3.24Å; Y80-F86 HydrophobicContact CE1-CZ 3.24Å; Y80-F86 HydrophobicContact CG-CE1 4.03Å; Y80-F86 HydrophobicContact CG-CZ 4.33Å; Y80-V171 HydrophobicContact CD2-CG1 4.18Å; Y80-V171 HydrophobicContact CE1-CG1 4.44Å; Y80-V171 HydrophobicContact CE2-CG1 3.48Å; Y80-V171 VanDerWaalsContact CE2-CG1 3.48Å; Y80-V171 WeakPolarHBondContact OH-CA 2.89Å; Y80-R172 PolarHBondContact OH-N 2.79Å; Y80-R172 PolarHBondContact OH-O 3.49Å |
| 81 | S | 82.6 | Confident | 86.7 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | trans | -144 | 143 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | D83 | S81-D83 PolarHBondContact O-N 2.99Å; S81-D83 WeakPolarHBondContact OG-CB 3.1Å; S81-D83 PolarHBondContact OG-N 3.42Å; S81-D83 VanDerWaalsContact OG-N 3.15Å | ||
| 82 | E | 82.4 | Confident | 86.9 | Confident | 201 Ų | 201 | 48.8 Ų | 48.8 | 94% | 0.939 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -73.8 | -10.6 | 170.5 | -63.3 | -175.7 | 172.1 | 0 | 0 | 112.4 | V84 | E82-V84 PolarHBondContact O-N 3.48Š|
| 83 | D | 85.5 | Confident | 87.1 | Confident | 74 Ų | 74 | 44.3 Ų | 44.3 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | trans | -73.8 | 112.8 | 176.3 | 179.8 | 13.2 | 0 | 0 | 0 | 111.2 | S81 T85 F86 F87 | S81-D83 PolarHBondContact O-N 2.99Å; S81-D83 WeakPolarHBondContact OG-CB 3.1Å; S81-D83 PolarHBondContact OG-N 3.42Å; S81-D83 VanDerWaalsContact OG-N 3.15Å; D83-T85 PolarHBondContact O-N 2.83Å; D83-T85 WeakPolarHBondContact OD1-CA 3.47Å; D83-T85 WeakPolarHBondContact OD1-CB 3.28Å; D83-T85 PolarHBondContact OD1-N 3.22Å; D83-T85 PolarHBondContact OD1-OG1 3.41Å; D83-F86 HydrophobicContact CB-CB 3.88Å; D83-F86 WeakPolarHBondContact O-CB 3.38Å; D83-F86 PolarHBondContact O-N 3.35Å; D83-F86 VanDerWaalsContact O-N 3.11Å; D83-F86 PolarHBondContact OD2-N 3.38Å; D83-F87 PolarHBondContact O-N 3.33Å; D83-F87 VanDerWaalsContact O-N 3.09Å | ||
| 84 | V | 86.5 | Confident | 87.4 | Confident | 84 Ų | 84 | 40.4 Ų | 40.4 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.4 | -36.1 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | E82 F86 F87 Q88 | E82-V84 PolarHBondContact O-N 3.48Å; V84-F86 VanDerWaalsContact C-N 3.34Å; V84-F87 PolarHBondContact O-N 3.07Å; V84-Q88 HydrophobicContact CG1-CG 4.32Å; V84-Q88 WeakPolarHBondContact O-CB 3.46Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.37Å; V84-Q88 PolarHBondContact O-N 2.93Å |
| 85 | T | 87.1 | Confident | 87.7 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.2 | -41 | 178.7 | -40.7 | 0 | 0 | 0 | 0 | 110.7 | D83 N89 M167 | D83-T85 PolarHBondContact O-N 2.83Å; D83-T85 WeakPolarHBondContact OD1-CA 3.47Å; D83-T85 WeakPolarHBondContact OD1-CB 3.28Å; D83-T85 PolarHBondContact OD1-N 3.22Å; D83-T85 PolarHBondContact OD1-OG1 3.41Å; T85-N89 WeakPolarHBondContact O-CB 3.35Å; T85-N89 PolarHBondContact O-N 2.92Å; T85-N89 PolarHBondContact O-ND2 2.62Å; T85-M167 HydrophobicContact CG2-CE 3.95Å; T85-M167 HydrophobicContact CG2-SD 4.48Å |
| 86 | F | 87.7 | Confident | 87.9 | Confident | 21 Ų | 21 | 36 Ų | 36 | 9% | 0.092 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 174.7 | -179.4 | -81.6 | 0 | 0 | 0 | 110.8 | Y80 D83 V84 Q88 N89 L90 L169 V171 | Y80-F86 AromaticContact CD1-CD1 3.96Å; Y80-F86 HydrophobicContact CD1-CD1 3.96Å; Y80-F86 AromaticContact CD1-CE1 3.13Å; Y80-F86 HydrophobicContact CD1-CE1 3.13Å; Y80-F86 HydrophobicContact CD1-CE2 4.16Å; Y80-F86 AromaticContact CD1-CZ 3.25Å; Y80-F86 HydrophobicContact CD1-CZ 3.25Å; Y80-F86 AromaticContact CE1-CE1 3.69Å; Y80-F86 HydrophobicContact CE1-CE1 3.69Å; Y80-F86 AromaticContact CE1-CE2 3.85Å; Y80-F86 HydrophobicContact CE1-CE2 3.85Å; Y80-F86 AromaticContact CE1-CZ 3.24Å; Y80-F86 HydrophobicContact CE1-CZ 3.24Å; Y80-F86 HydrophobicContact CG-CE1 4.03Å; Y80-F86 HydrophobicContact CG-CZ 4.33Å; D83-F86 HydrophobicContact CB-CB 3.88Å; D83-F86 WeakPolarHBondContact O-CB 3.38Å; D83-F86 PolarHBondContact O-N 3.35Å; D83-F86 VanDerWaalsContact O-N 3.11Å; D83-F86 PolarHBondContact OD2-N 3.38Å; V84-F86 VanDerWaalsContact C-N 3.34Å; F86-Q88 PolarHBondContact O-N 3.4Å; F86-N89 PolarHBondContact O-N 3.21Å; F86-L90 HydrophobicContact CE1-CB 4.25Å; F86-L90 HydrophobicContact CE1-CD2 4.03Å; F86-L90 WeakPolarHBondContact O-CB 3.36Å; F86-L90 PolarHBondContact O-N 2.95Å; F86-L169 HydrophobicContact CD2-CD2 3.74Å; F86-L169 HydrophobicContact CE2-CB 4.36Å; F86-L169 HydrophobicContact CE2-CD1 4.49Å; F86-L169 HydrophobicContact CE2-CD2 3.94Å; F86-V171 HydrophobicContact CZ-CG2 4.2Å |
| 87 | F | 89.4 | Confident | 88.1 | Confident | 26 Ų | 26 | 38.3 Ų | 38.3 | 11% | 0.114 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -49 | 178.1 | 163.9 | -109.4 | 0 | 0 | 0 | 111.9 | L77 T78 D83 V84 N89 L90 C91 L124 L125 | L77-F87 HydrophobicContact CB-CD2 4.16Å; L77-F87 HydrophobicContact CB-CE2 3.84Å; T78-F87 HydrophobicContact CG2-CD2 3.74Å; T78-F87 HydrophobicContact CG2-CE2 3.45Å; T78-F87 VanDerWaalsContact CG2-CE2 3.45Å; T78-F87 HydrophobicContact CG2-CG 4.44Å; T78-F87 HydrophobicContact CG2-CZ 3.94Å; D83-F87 PolarHBondContact O-N 3.33Å; D83-F87 VanDerWaalsContact O-N 3.09Å; V84-F87 PolarHBondContact O-N 3.07Å; F87-N89 PolarHBondContact O-N 3.43Å; F87-L90 WeakPolarHBondContact O-CB 3.25Å; F87-L90 PolarHBondContact O-N 3.37Å; F87-C91 WeakPolarHBondContact CE2-SG 3.25Å; F87-C91 PolarHBondContact O-N 3.27Å; F87-C91 PolarHBondContact O-SG 2.95Å; F87-C91 VanDerWaalsContact O-SG 3.41Å; F87-L124 HydrophobicContact CZ-CB 4.32Å; F87-L125 HydrophobicContact CE1-CD2 3.89Å; F87-L125 HydrophobicContact CZ-CD2 4.19Å |
| 88 | Q | 90.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 38.4 Ų | 38.4 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 178.9 | -78.2 | 174.9 | -21.2 | 0 | 0 | 112.6 | V84 F86 L90 C91 A92 L125 N126 Y129 | V84-Q88 HydrophobicContact CG1-CG 4.32Å; V84-Q88 WeakPolarHBondContact O-CB 3.46Å; V84-Q88 VanDerWaalsContact O-CG 3.27Å; V84-Q88 WeakPolarHBondContact O-CG 3.37Å; V84-Q88 PolarHBondContact O-N 2.93Å; F86-Q88 PolarHBondContact O-N 3.4Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-L90 PolarHBondContact O-N 2.9Å; Q88-C91 PolarHBondContact O-N 3.04Å; Q88-A92 PolarHBondContact O-N 3.24Å; Q88-L125 HydrophobicContact CG-CD2 4.41Å; Q88-N126 PolarHBondContact NE2-ND2 2.98Å; Q88-N126 PolarHBondContact NE2-OD1 3.15Å; Q88-Y129 HydrophobicContact CB-CD1 3.94Å; Q88-Y129 HydrophobicContact CB-CD2 4.06Å; Q88-Y129 HydrophobicContact CB-CE1 3.67Å; Q88-Y129 HydrophobicContact CB-CE2 3.8Å; Q88-Y129 HydrophobicContact CB-CG 4.13Å; Q88-Y129 HydrophobicContact CG-CD1 3.83Å; Q88-Y129 HydrophobicContact CG-CD2 4.04Å; Q88-Y129 HydrophobicContact CG-CE1 4.11Å; Q88-Y129 HydrophobicContact CG-CE2 4.31Å; Q88-Y129 HydrophobicContact CG-CG 3.8Å; Q88-Y129 WeakPolarHBondContact O-CE1 3.44Å; Q88-Y129 PolarHBondContact O-OH 3.23Å |
| 89 | N | 90 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | 177.9 | -79 | -79.9 | 0 | 0 | 0 | 112.3 | T85 F86 F87 A92 W93 S166 M167 L169 | T85-N89 WeakPolarHBondContact O-CB 3.35Å; T85-N89 PolarHBondContact O-N 2.92Å; T85-N89 PolarHBondContact O-ND2 2.62Å; F86-N89 PolarHBondContact O-N 3.21Å; F87-N89 PolarHBondContact O-N 3.43Å; N89-A92 PolarHBondContact O-N 2.91Å; N89-W93 WeakPolarHBondContact O-CB 3.46Å; N89-W93 PolarHBondContact O-N 3.26Å; N89-S166 PolarHBondContact ND2-OG 3.31Å; N89-S166 PolarHBondContact OD1-N 2.76Å; N89-S166 PolarHBondContact OD1-OG 3.39Å; N89-M167 HydrophobicContact CB-CE 4.45Å; N89-M167 HydrophobicContact CB-CG 4.44Å; N89-M167 PolarHBondContact OD1-N 3.3Å; N89-L169 HydrophobicContact CB-CD1 3.79Å; N89-L169 HydrophobicContact CB-CD2 4.08Å; N89-L169 HydrophobicContact CB-CG 4.19Å |
| 90 | L | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.1 | -48.1 | 174.9 | 175.9 | 63.1 | 0 | 0 | 0 | 109.9 | T29 L77 F86 F87 Q88 A92 W93 I94 L169 L183 | T29-L90 HydrophobicContact CG2-CD2 3.72Å; L77-L90 HydrophobicContact CD2-CD2 4.45Å; F86-L90 HydrophobicContact CE1-CB 4.25Å; F86-L90 HydrophobicContact CE1-CD2 4.03Å; F86-L90 WeakPolarHBondContact O-CB 3.36Å; F86-L90 PolarHBondContact O-N 2.95Å; F87-L90 WeakPolarHBondContact O-CB 3.25Å; F87-L90 PolarHBondContact O-N 3.37Å; Q88-L90 VanDerWaalsContact C-N 3.33Å; Q88-L90 PolarHBondContact O-N 2.9Å; L90-A92 PolarHBondContact O-N 3.36Å; L90-W93 PolarHBondContact O-N 2.69Å; L90-I94 HydrophobicContact CD1-CD1 4.14Å; L90-I94 HydrophobicContact CD1-CG1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.01Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 2.57Å; L90-L169 HydrophobicContact CB-CD1 4.04Å; L90-L183 HydrophobicContact CD1-CD1 3.72Å |
| 91 | C | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 174.7 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | F87 Q88 W93 I94 I95 I121 L125 | F87-C91 WeakPolarHBondContact CE2-SG 3.25Å; F87-C91 PolarHBondContact O-N 3.27Å; F87-C91 PolarHBondContact O-SG 2.95Å; F87-C91 VanDerWaalsContact O-SG 3.41Å; Q88-C91 PolarHBondContact O-N 3.04Å; C91-W93 VanDerWaalsContact C-N 3.32Å; C91-W93 PolarHBondContact O-N 2.97Å; C91-I94 PolarHBondContact O-N 2.91Å; C91-I95 VanDerWaalsContact O-CG1 3.31Å; C91-I95 WeakPolarHBondContact O-CG1 3.37Å; C91-I95 PolarHBondContact O-N 3.13Å; C91-I121 HydrophobicContact CB-CG2 3.54Å; C91-L125 HydrophobicContact CB-CD1 4.46Å; C91-L125 HydrophobicContact CB-CD2 3.71Å; C91-L125 HydrophobicContact CB-CG 4.49Å |
| 92 | A | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q88 N89 L90 I95 T96 Y129 L133 L164 A165 | Q88-A92 PolarHBondContact O-N 3.24Å; N89-A92 PolarHBondContact O-N 2.91Å; L90-A92 PolarHBondContact O-N 3.36Å; A92-I95 PolarHBondContact O-N 3.04Å; A92-T96 PolarHBondContact O-N 3.38Å; A92-T96 PolarHBondContact O-OG1 2.98Å; A92-Y129 WeakPolarHBondContact CB-OH 3.43Å; A92-L133 HydrophobicContact CB-CD1 4.13Å; A92-L164 HydrophobicContact CB-CB 4.08Å; A92-A165 HydrophobicContact CB-CB 4.41Å |
| 93 | W | 92 | Very high | 89.7 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.8 | 179.8 | 89.3 | 0 | 0 | 0 | 112.1 | L36 C37 N89 L90 C91 I95 T96 K97 A165 L183 E184 | L36-W93 HydrophobicContact CB-CH2 4.02Å; L36-W93 HydrophobicContact CB-CZ3 4.09Å; L36-W93 HydrophobicContact CD1-CZ3 4.15Å; C37-W93 WeakPolarHBondContact SG-CH2 3.45Å; C37-W93 VanDerWaalsContact SG-CZ2 3.56Å; N89-W93 WeakPolarHBondContact O-CB 3.46Å; N89-W93 PolarHBondContact O-N 3.26Å; L90-W93 PolarHBondContact O-N 2.69Å; C91-W93 VanDerWaalsContact C-N 3.32Å; C91-W93 PolarHBondContact O-N 2.97Å; W93-I95 VanDerWaalsContact C-N 3.32Å; W93-I95 PolarHBondContact O-N 3.37Å; W93-T96 WeakPolarHBondContact O-CB 3.28Å; W93-T96 PolarHBondContact O-N 2.57Å; W93-T96 VanDerWaalsContact O-N 3.15Å; W93-K97 HydrophobicContact CD2-CG 3.98Å; W93-K97 HydrophobicContact CE3-CG 4.17Å; W93-K97 HydrophobicContact CH2-CD 4.31Å; W93-K97 HydrophobicContact CH2-CG 3.77Å; W93-K97 HydrophobicContact CZ2-CD 3.89Å; W93-K97 HydrophobicContact CZ2-CG 3.58Å; W93-K97 HydrophobicContact CZ3-CG 4.06Å; W93-K97 PolarHBondContact O-N 3.42Å; W93-A165 HydrophobicContact CB-CB 4.37Å; W93-L183 HydrophobicContact CD2-CB 3.95Å; W93-L183 HydrophobicContact CD2-CD1 4.01Å; W93-L183 HydrophobicContact CD2-CD2 4.44Å; W93-L183 HydrophobicContact CD2-CG 4.36Å; W93-L183 HydrophobicContact CE3-CD1 3.97Å; W93-L183 HydrophobicContact CE3-CD2 4.47Å; W93-L183 HydrophobicContact CG-CB 4.08Å; W93-L183 HydrophobicContact CG-CD1 4.44Å; W93-L183 HydrophobicContact CH2-CD2 3.75Å; W93-L183 HydrophobicContact CZ2-CB 4.12Å; W93-L183 HydrophobicContact CZ2-CD2 3.64Å; W93-L183 HydrophobicContact CZ2-CG 4.33Å; W93-L183 HydrophobicContact CZ3-CD1 4.33Å; W93-L183 HydrophobicContact CZ3-CD2 4.17Å; W93-E184 PolarHBondContact NE1-O 3.01Å |
| 94 | I | 91.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 176.5 | -66.9 | 170 | 0 | 0 | 0 | 110.1 | L32 L36 L77 L90 C91 T96 K97 L98 I121 | L32-I94 HydrophobicContact CD2-CD1 4.38Å; L36-I94 HydrophobicContact CD1-CB 4.45Å; L36-I94 HydrophobicContact CD1-CG1 3.95Å; L36-I94 HydrophobicContact CD1-CG2 3.94Å; L77-I94 HydrophobicContact CD2-CD1 3.39Å; L90-I94 HydrophobicContact CD1-CD1 4.14Å; L90-I94 HydrophobicContact CD1-CG1 4.31Å; L90-I94 HydrophobicContact CG-CD1 4.01Å; L90-I94 VanDerWaalsContact O-CG1 3.28Å; L90-I94 WeakPolarHBondContact O-CG1 3.36Å; L90-I94 PolarHBondContact O-N 2.57Å; C91-I94 PolarHBondContact O-N 2.91Å; I94-T96 VanDerWaalsContact C-N 3.33Å; I94-T96 PolarHBondContact O-N 3.27Å; I94-K97 PolarHBondContact O-N 3.37Å; I94-L98 HydrophobicContact CG2-CD1 3.8Å; I94-L98 HydrophobicContact CG2-CG 4.19Å; I94-L98 WeakPolarHBondContact O-CB 3.31Å; I94-L98 VanDerWaalsContact O-CG 3.28Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.26Å; I94-I121 HydrophobicContact CB-CD1 4.28Å; I94-I121 HydrophobicContact CG2-CD1 3.51Å |
| 95 | I | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 176.2 | -68.2 | 165.2 | 0 | 0 | 0 | 110.9 | C91 A92 W93 K97 L98 L99 C118 I121 I122 L133 L164 L206 | C91-I95 VanDerWaalsContact O-CG1 3.31Å; C91-I95 WeakPolarHBondContact O-CG1 3.37Å; C91-I95 PolarHBondContact O-N 3.13Å; A92-I95 PolarHBondContact O-N 3.04Å; W93-I95 VanDerWaalsContact C-N 3.32Å; W93-I95 PolarHBondContact O-N 3.37Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.42Å; I95-L98 PolarHBondContact O-N 3.04Å; I95-L99 HydrophobicContact CG2-CD1 3.84Å; I95-L99 HydrophobicContact CG2-CG 4.34Å; I95-L99 WeakPolarHBondContact O-CB 3.37Å; I95-L99 WeakPolarHBondContact O-CG 3.4Å; I95-L99 PolarHBondContact O-N 3.3Å; I95-C118 HydrophobicContact CG1-CB 4.35Å; I95-C118 HydrophobicContact CG2-CB 4.27Å; I95-I121 HydrophobicContact CD1-CB 4.08Å; I95-I121 HydrophobicContact CD1-CG2 3.74Å; I95-I121 HydrophobicContact CG1-CB 4.14Å; I95-I121 HydrophobicContact CG1-CD1 4.04Å; I95-I121 HydrophobicContact CG1-CG2 4Å; I95-I122 HydrophobicContact CD1-CD1 4.37Å; I95-I122 HydrophobicContact CD1-CG1 3.7Å; I95-L133 HydrophobicContact CD1-CD2 3.63Å; I95-L164 HydrophobicContact CB-CD1 4.24Å; I95-L164 HydrophobicContact CG2-CD1 3.62Å; I95-L206 HydrophobicContact CG2-CD2 4.33Å |
| 96 | T | 91.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 175.5 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | A92 W93 I94 A100 F162 L164 V186 | A92-T96 PolarHBondContact O-N 3.38Å; A92-T96 PolarHBondContact O-OG1 2.98Å; W93-T96 WeakPolarHBondContact O-CB 3.28Å; W93-T96 PolarHBondContact O-N 2.57Å; W93-T96 VanDerWaalsContact O-N 3.15Å; I94-T96 VanDerWaalsContact C-N 3.33Å; I94-T96 PolarHBondContact O-N 3.27Å; T96-A100 WeakPolarHBondContact O-CB 3.39Å; T96-A100 PolarHBondContact O-N 2.94Å; T96-F162 HydrophobicContact CG2-CD1 3.46Å; T96-F162 VanDerWaalsContact CG2-CD1 3.46Å; T96-F162 HydrophobicContact CG2-CD2 4.26Å; T96-F162 HydrophobicContact CG2-CE1 3.59Å; T96-F162 HydrophobicContact CG2-CE2 4.34Å; T96-F162 HydrophobicContact CG2-CG 3.83Å; T96-F162 HydrophobicContact CG2-CZ 4.04Å; T96-F162 VanDerWaalsContact CG2-O 3.31Å; T96-F162 WeakPolarHBondContact CG2-O 3.41Å; T96-F162 WeakPolarHBondContact O-CE1 3.25Å; T96-L164 WeakPolarHBondContact OG1-CB 3.33Å; T96-L164 WeakPolarHBondContact OG1-CG 3.31Å; T96-L164 PolarHBondContact OG1-N 2.86Å; T96-V186 HydrophobicContact CG2-CB 4.46Å; T96-V186 HydrophobicContact CG2-CG2 3.88Å |
| 97 | K | 89.6 | Confident | 89.2 | Confident | 48 Ų | 48 | 11.9 Ų | 11.9 | 21% | 0.209 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 179 | -72.9 | -74.7 | 171.3 | 179.5 | 0 | 112.7 | W93 I94 I95 A100 I101 V186 | W93-K97 HydrophobicContact CD2-CG 3.98Å; W93-K97 HydrophobicContact CE3-CG 4.17Å; W93-K97 HydrophobicContact CH2-CD 4.31Å; W93-K97 HydrophobicContact CH2-CG 3.77Å; W93-K97 HydrophobicContact CZ2-CD 3.89Å; W93-K97 HydrophobicContact CZ2-CG 3.58Å; W93-K97 HydrophobicContact CZ3-CG 4.06Å; W93-K97 PolarHBondContact O-N 3.42Å; I94-K97 PolarHBondContact O-N 3.37Å; I95-K97 VanDerWaalsContact C-N 3.31Å; I95-K97 PolarHBondContact O-N 3.42Å; K97-A100 WeakPolarHBondContact O-CB 3.49Å; K97-A100 PolarHBondContact O-N 3.36Å; K97-I101 PolarHBondContact O-N 3.48Å; K97-V186 HydrophobicContact CD-CG2 3.64Å; K97-V186 HydrophobicContact CG-CG2 4.31Å |
| 98 | L | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | 177.7 | -73.4 | 172.7 | 0 | 0 | 0 | 111.4 | L36 L63 I94 I95 A100 I101 V114 I117 I121 | L36-L98 HydrophobicContact CD2-CD2 4.28Å; L63-L98 HydrophobicContact CD2-CD2 4.42Å; I94-L98 HydrophobicContact CG2-CD1 3.8Å; I94-L98 HydrophobicContact CG2-CG 4.19Å; I94-L98 WeakPolarHBondContact O-CB 3.31Å; I94-L98 VanDerWaalsContact O-CG 3.28Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.26Å; I95-L98 PolarHBondContact O-N 3.04Å; L98-A100 VanDerWaalsContact C-N 3.31Å; L98-A100 PolarHBondContact O-N 3.24Å; L98-I101 HydrophobicContact CD2-CD1 4.06Å; L98-I101 VanDerWaalsContact O-CB 3.27Å; L98-I101 WeakPolarHBondContact O-CB 3.3Å; L98-I101 WeakPolarHBondContact O-CG1 3.5Å; L98-I101 PolarHBondContact O-N 2.98Å; L98-V114 HydrophobicContact CB-CG1 4.16Å; L98-V114 WeakPolarHBondContact O-CG1 3.47Å; L98-I117 HydrophobicContact CD1-CB 4.12Å; L98-I117 HydrophobicContact CD1-CG2 3.52Å; L98-I121 HydrophobicContact CD1-CD1 3.77Å |
| 99 | L | 91.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.1 | -73.8 | 171.8 | 0 | 0 | 0 | 111.9 | I95 I101 T102 V114 L137 F162 L164 A202 I203 L206 | I95-L99 HydrophobicContact CG2-CD1 3.84Å; I95-L99 HydrophobicContact CG2-CG 4.34Å; I95-L99 WeakPolarHBondContact O-CB 3.37Å; I95-L99 WeakPolarHBondContact O-CG 3.4Å; I95-L99 PolarHBondContact O-N 3.3Å; L99-I101 PolarHBondContact O-N 3.14Å; L99-T102 WeakPolarHBondContact O-CB 3.32Å; L99-T102 PolarHBondContact O-N 3.45Å; L99-T102 PolarHBondContact O-OG1 2.97Å; L99-V114 HydrophobicContact CD2-CG1 4.48Å; L99-L137 HydrophobicContact CD1-CD2 3.66Å; L99-F162 HydrophobicContact CB-CE1 3.87Å; L99-F162 HydrophobicContact CB-CZ 4.39Å; L99-F162 HydrophobicContact CD1-CE1 4.24Å; L99-F162 HydrophobicContact CD1-CZ 3.91Å; L99-L164 HydrophobicContact CD1-CD1 4.38Å; L99-A202 HydrophobicContact CD2-CB 3.89Å; L99-I203 HydrophobicContact CD1-CG1 4.25Å; L99-I203 HydrophobicContact CD2-CG1 4.45Å; L99-L206 HydrophobicContact CD1-CD2 4.33Å; L99-L206 HydrophobicContact CD2-CD2 4.44Å |
| 100 | A | 88.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 16.4 Ų | 16.4 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.6 | -24.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | P42 T96 K97 L98 T102 V103 V186 | P42-A100 HydrophobicContact CG-CB 4.38Å; P42-A100 WeakPolarHBondContact CG-O 3.44Å; T96-A100 WeakPolarHBondContact O-CB 3.39Å; T96-A100 PolarHBondContact O-N 2.94Å; K97-A100 WeakPolarHBondContact O-CB 3.49Å; K97-A100 PolarHBondContact O-N 3.36Å; L98-A100 VanDerWaalsContact C-N 3.31Å; L98-A100 PolarHBondContact O-N 3.24Å; A100-T102 PolarHBondContact O-N 3.22Å; A100-T102 VanDerWaalsContact O-N 3.15Å; A100-V103 VanDerWaalsContact O-CB 3.31Å; A100-V103 WeakPolarHBondContact O-CB 3.48Å; A100-V103 WeakPolarHBondContact O-CG2 3.48Å; A100-V103 PolarHBondContact O-N 2.89Å; A100-V103 VanDerWaalsContact O-N 3.1Å; A100-V186 HydrophobicContact CB-CB 4.32Å; A100-V186 HydrophobicContact CB-CG1 3.71Å; A100-V186 HydrophobicContact CB-CG2 4.08Å |
| 101 | I | 87.1 | Confident | 88.8 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -56.3 | -30.9 | 172.6 | -62 | 168.5 | 0 | 0 | 0 | 110.8 | I40 L45 L63 K97 L98 L99 V103 C107 L110 V114 | I40-I101 HydrophobicContact CG2-CD1 3.48Å; I40-I101 VanDerWaalsContact CG2-CD1 3.48Å; I40-I101 HydrophobicContact CG2-CG1 4.24Å; L45-I101 HydrophobicContact CD1-CB 4.42Å; L45-I101 HydrophobicContact CD1-CD1 4.21Å; L45-I101 HydrophobicContact CD1-CG1 4.04Å; L45-I101 HydrophobicContact CD1-CG2 3.61Å; L63-I101 HydrophobicContact CD2-CD1 4.11Å; K97-I101 PolarHBondContact O-N 3.48Å; L98-I101 HydrophobicContact CD2-CD1 4.06Å; L98-I101 VanDerWaalsContact O-CB 3.27Å; L98-I101 WeakPolarHBondContact O-CB 3.3Å; L98-I101 WeakPolarHBondContact O-CG1 3.5Å; L98-I101 PolarHBondContact O-N 2.98Å; L99-I101 PolarHBondContact O-N 3.14Å; I101-V103 PolarHBondContact O-N 3.29Å; I101-C107 HydrophobicContact CG2-CB 4.17Å; I101-C107 WeakPolarHBondContact O-CB 3.18Å; I101-L110 HydrophobicContact CG2-CD1 4.43Å; I101-V114 HydrophobicContact CB-CG2 4.38Å; I101-V114 HydrophobicContact CD1-CG2 4.37Å; I101-V114 HydrophobicContact CG2-CG2 4.43Å |
| 102 | T | 87.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -79.5 | -4.1 | -176.6 | 69.8 | 0 | 0 | 0 | 0 | 113.8 | L99 A100 S104 R111 V114 C198 A202 | L99-T102 WeakPolarHBondContact O-CB 3.32Å; L99-T102 PolarHBondContact O-N 3.45Å; L99-T102 PolarHBondContact O-OG1 2.97Å; A100-T102 PolarHBondContact O-N 3.22Å; A100-T102 VanDerWaalsContact O-N 3.15Å; T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.28Å; T102-R111 HydrophobicContact CG2-CB 4.16Å; T102-R111 HydrophobicContact CG2-CG 4.04Å; T102-V114 HydrophobicContact CG2-CB 4.33Å; T102-V114 HydrophobicContact CG2-CG1 4.04Å; T102-V114 HydrophobicContact CG2-CG2 4.36Å; T102-C198 WeakPolarHBondContact O-CB 3.19Å; T102-A202 HydrophobicContact CG2-CB 3.92Å |
| 103 | V | 87.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 22 Ų | 22 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -58.7 | -44.2 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | A100 I101 I188 P195 V199 | A100-V103 VanDerWaalsContact O-CB 3.31Å; A100-V103 WeakPolarHBondContact O-CB 3.48Å; A100-V103 WeakPolarHBondContact O-CG2 3.48Å; A100-V103 PolarHBondContact O-N 2.89Å; A100-V103 VanDerWaalsContact O-N 3.1Å; I101-V103 PolarHBondContact O-N 3.29Å; V103-I188 HydrophobicContact CB-CG2 4.29Å; V103-I188 HydrophobicContact CG1-CG2 3.55Å; V103-I188 HydrophobicContact CG2-CB 4.49Å; V103-I188 HydrophobicContact CG2-CD1 3.65Å; V103-I188 HydrophobicContact CG2-CG1 3.99Å; V103-I188 HydrophobicContact CG2-CG2 3.66Å; V103-P195 HydrophobicContact CG1-CB 4.01Å; V103-P195 VanDerWaalsContact O-CA 3.24Å; V103-P195 WeakPolarHBondContact O-CA 3.22Å; V103-P195 VanDerWaalsContact O-CB 3.3Å; V103-P195 WeakPolarHBondContact O-CB 3.24Å; V103-V199 HydrophobicContact CB-CG2 4.17Å; V103-V199 HydrophobicContact CG2-CG2 3.4Å; V103-V199 VanDerWaalsContact CG2-CG2 3.4Å |
| 104 | S | 84.1 | Confident | 88.7 | Confident | 13 Ų | 13 | 21.8 Ų | 21.8 | 9% | 0.091 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -77.1 | 128.1 | -177.4 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | T102 E106 C107 | T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.28Å; S104-E106 PolarHBondContact O-N 3.02Å; S104-E106 VanDerWaalsContact O-N 3.13Å; S104-C107 WeakPolarHBondContact O-CA 3.3Å; S104-C107 WeakPolarHBondContact O-CB 3.35Å; S104-C107 PolarHBondContact O-N 2.99Å |
| 105 | P | 82.5 | Confident | 88.8 | Confident | 37 Ų | 37 | 22 Ų | 22 | 24% | 0.24 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -55.2 | -32.9 | 177.9 | -27.6 | 35.7 | 0 | 0 | 0 | 113.5 | C107 R108 E194 | P105-C107 PolarHBondContact O-N 3.45Å; P105-R108 WeakPolarHBondContact O-CB 3.38Å; P105-R108 PolarHBondContact O-N 3.41Å; P105-R108 VanDerWaalsContact O-N 3.15Å; P105-E194 HydrophobicContact CB-CG 4.35Å; P105-E194 HydrophobicContact CG-CG 3.91Å |
| 106 | E | 84.5 | Confident | 88.9 | Confident | 67 Ų | 67 | 27.1 Ų | 27.1 | 31% | 0.313 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -67.8 | -22.9 | 177.6 | -56.9 | 94.9 | 151.5 | 0 | 0 | 113.2 | A46 I49 R50 S104 P109 | A46-E106 HydrophobicContact CB-CB 4.5Å; I49-E106 HydrophobicContact CG2-CB 4.29Å; R50-E106 WeakPolarHBondContact CD-OE1 3.33Å; R50-E106 HydrophobicContact CG-CG 3.92Å; R50-E106 IonicContact NE-OE1 3.14Å; S104-E106 PolarHBondContact O-N 3.02Å; S104-E106 VanDerWaalsContact O-N 3.13Å; E106-P109 VanDerWaalsContact O-CD 3.32Å; E106-P109 WeakPolarHBondContact O-CD 3.39Å |
| 107 | C | 85.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -87.1 | -3.7 | 176.6 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | I101 S104 P105 P109 L110 | I101-C107 HydrophobicContact CG2-CB 4.17Å; I101-C107 WeakPolarHBondContact O-CB 3.18Å; S104-C107 WeakPolarHBondContact O-CA 3.3Å; S104-C107 WeakPolarHBondContact O-CB 3.35Å; S104-C107 PolarHBondContact O-N 2.99Å; P105-C107 PolarHBondContact O-N 3.45Å; C107-P109 VanDerWaalsContact C-N 3.29Å; C107-P109 VanDerWaalsContact O-N 3.16Å; C107-L110 WeakPolarHBondContact O-CB 3.47Å; C107-L110 PolarHBondContact O-N 2.96Å |
| 108 | R | 84.5 | Confident | 89.2 | Confident | 65 Ų | 65 | 24.8 Ų | 24.8 | 25% | 0.245 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -47.5 | -40.1 | 176.6 | -170.9 | 178.2 | -172.2 | 157.6 | 10.9 | 114.1 | P105 L110 R111 D237 E239 | P105-R108 WeakPolarHBondContact O-CB 3.38Å; P105-R108 PolarHBondContact O-N 3.41Å; P105-R108 VanDerWaalsContact O-N 3.15Å; R108-L110 PolarHBondContact O-N 3.19Å; R108-R111 VanDerWaalsContact O-CB 3.27Å; R108-R111 WeakPolarHBondContact O-CB 3.13Å; R108-R111 PolarHBondContact O-N 3.41Å; R108-D237 IonicContact CZ-OD2 3.83Å; R108-D237 IonicContact NH1-OD2 2.92Å; R108-D237 IonicContact NH2-OD2 3.89Å; R108-D237 PolarHBondContact NH2-OD2 2.66Å; R108-E239 IonicContact CZ-OE2 3.28Å; R108-E239 VanDerWaalsContact NE-CD 3.32Å; R108-E239 IonicContact NE-OE1 2.83Å; R108-E239 PolarHBondContact NE-OE1 2.75Å; R108-E239 IonicContact NE-OE2 3.83Å; R108-E239 PolarHBondContact NE-OE2 2.69Å; R108-E239 IonicContact NH2-OE1 3.79Å; R108-E239 IonicContact NH2-OE2 3.43Å; R108-E239 PolarHBondContact NH2-OE2 3.36Å |
| 109 | P | 87.5 | Confident | 89.4 | Confident | 78 Ų | 78 | 26.7 Ų | 26.7 | 51% | 0.506 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -67 | -18.5 | 177.6 | -18.6 | 32.2 | 0 | 0 | 0 | 114.7 | L56 E106 C107 R111 | L56-P109 HydrophobicContact CD1-CB 4Å; L56-P109 HydrophobicContact CD1-CG 4.3Å; L56-P109 HydrophobicContact CD2-CB 3.94Å; L56-P109 HydrophobicContact CD2-CG 4.17Å; E106-P109 VanDerWaalsContact O-CD 3.32Å; E106-P109 WeakPolarHBondContact O-CD 3.39Å; C107-P109 VanDerWaalsContact C-N 3.29Å; C107-P109 VanDerWaalsContact O-N 3.16Å; P109-R111 VanDerWaalsContact C-N 3.33Å |
| 110 | L | 89.7 | Confident | 89.4 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -83 | -9.8 | 177.6 | -59 | -179.9 | 0 | 0 | 0 | 112.9 | I49 L56 C59 L63 I101 C107 R108 S112 E113 V114 | I49-L110 HydrophobicContact CD1-CD1 3.92Å; I49-L110 HydrophobicContact CD1-CG 4.45Å; L56-L110 HydrophobicContact CD1-CD2 3.74Å; L56-L110 HydrophobicContact CD1-CG 4.07Å; C59-L110 HydrophobicContact CB-CD1 4.07Å; C59-L110 HydrophobicContact CB-CD2 4.33Å; L63-L110 HydrophobicContact CD1-CB 3.85Å; L63-L110 HydrophobicContact CD1-CD1 3.94Å; L63-L110 HydrophobicContact CD1-CD2 4.22Å; L63-L110 HydrophobicContact CD1-CG 4.22Å; I101-L110 HydrophobicContact CG2-CD1 4.43Å; C107-L110 WeakPolarHBondContact O-CB 3.47Å; C107-L110 PolarHBondContact O-N 2.96Å; R108-L110 PolarHBondContact O-N 3.19Å; L110-S112 PolarHBondContact O-N 3.21Å; L110-E113 PolarHBondContact O-N 3.34Å; L110-E113 VanDerWaalsContact O-N 3.14Å; L110-V114 PolarHBondContact O-N 2.87Å |
| 111 | R | 91.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | -171.1 | -176.4 | -179.1 | 69.4 | -140.3 | -6.9 | 113.9 | T102 R108 P109 E113 V114 V115 S201 A202 M205 E239 | T102-R111 HydrophobicContact CG2-CB 4.16Å; T102-R111 HydrophobicContact CG2-CG 4.04Å; R108-R111 VanDerWaalsContact O-CB 3.27Å; R108-R111 WeakPolarHBondContact O-CB 3.13Å; R108-R111 PolarHBondContact O-N 3.41Å; P109-R111 VanDerWaalsContact C-N 3.33Å; R111-E113 PolarHBondContact O-N 3.17Å; R111-V114 WeakPolarHBondContact O-CB 3.21Å; R111-V114 PolarHBondContact O-N 2.99Å; R111-V115 HydrophobicContact CG-CG2 4.21Å; R111-V115 WeakPolarHBondContact O-CB 3.42Å; R111-V115 VanDerWaalsContact O-CG2 3.27Å; R111-V115 WeakPolarHBondContact O-CG2 3.38Å; R111-V115 PolarHBondContact O-N 3.13Å; R111-S201 PolarHBondContact NH1-OG 3.43Å; R111-S201 VanDerWaalsContact NH1-OG 3.12Å; R111-A202 HydrophobicContact CG-CB 3.71Å; R111-M205 HydrophobicContact CG-SD 4.21Å; R111-M205 PolarHBondContact NE-SD 3.22Å; R111-E239 VanDerWaalsContact CZ-CD 3.49Å; R111-E239 IonicContact CZ-OE1 3.57Å; R111-E239 VanDerWaalsContact CZ-OE1 3.24Å; R111-E239 IonicContact CZ-OE2 3.71Å; R111-E239 IonicContact NH1-OE1 2.66Å; R111-E239 PolarHBondContact NH1-OE1 3.05Å; R111-E239 IonicContact NH1-OE2 3.97Å; R111-E239 PolarHBondContact NH1-OE2 2.91Å; R111-E239 IonicContact NH2-OE1 2.6Å; R111-E239 PolarHBondContact NH2-OE1 2.91Å; R111-E239 IonicContact NH2-OE2 3.18Å |
| 112 | S | 90.7 | Very high | 89.8 | Confident | 75 Ų | 75 | 28.1 Ų | 28.1 | 52% | 0.524 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.8 | -41 | 179.2 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | L110 R116 | L110-S112 PolarHBondContact O-N 3.21Å; S112-R116 WeakPolarHBondContact O-CB 3.46Å; S112-R116 PolarHBondContact O-N 3.04Å |
| 113 | E | 90.9 | Very high | 90 | Very high | 22 Ų | 22 | 33 Ų | 33 | 10% | 0.103 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.4 | -43.5 | 178.8 | -171.4 | 55.6 | -153.7 | 0 | 0 | 111.2 | L63 E64 L110 R111 V115 R116 I117 | L63-E113 HydrophobicContact CB-CG 3.7Å; E64-E113 WeakPolarHBondContact CA-OE1 3.21Å; E64-E113 HydrophobicContact CG-CG 4.33Å; L110-E113 PolarHBondContact O-N 3.34Å; L110-E113 VanDerWaalsContact O-N 3.14Å; R111-E113 PolarHBondContact O-N 3.17Å; E113-V115 VanDerWaalsContact C-N 3.33Å; E113-V115 PolarHBondContact O-N 3.09Å; E113-R116 VanDerWaalsContact CD-NE 3.32Å; E113-R116 WeakPolarHBondContact O-CB 3.3Å; E113-R116 PolarHBondContact O-N 2.73Å; E113-R116 IonicContact OE1-CZ 3.63Å; E113-R116 IonicContact OE1-NE 3.08Å; E113-R116 PolarHBondContact OE1-NE 3.47Å; E113-R116 IonicContact OE1-NH2 3.61Å; E113-R116 PolarHBondContact OE1-NH2 2.83Å; E113-R116 IonicContact OE2-CZ 3Å; E113-R116 IonicContact OE2-NE 3.43Å; E113-R116 PolarHBondContact OE2-NE 2.97Å; E113-R116 IonicContact OE2-NH2 3.58Å; E113-I117 HydrophobicContact CG-CD1 4.29Å; E113-I117 VanDerWaalsContact O-CG1 3.25Å; E113-I117 WeakPolarHBondContact O-CG1 3.44Å; E113-I117 PolarHBondContact O-N 3.44Å |
| 114 | V | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.3 | -49.8 | 171.4 | 164.6 | 0 | 0 | 0 | 0 | 111.5 | L63 L98 L99 I101 T102 L110 R111 R116 I117 C118 | L63-V114 HydrophobicContact CD1-CG2 4.07Å; L98-V114 HydrophobicContact CB-CG1 4.16Å; L98-V114 WeakPolarHBondContact O-CG1 3.47Å; L99-V114 HydrophobicContact CD2-CG1 4.48Å; I101-V114 HydrophobicContact CB-CG2 4.38Å; I101-V114 HydrophobicContact CD1-CG2 4.37Å; I101-V114 HydrophobicContact CG2-CG2 4.43Å; T102-V114 HydrophobicContact CG2-CB 4.33Å; T102-V114 HydrophobicContact CG2-CG1 4.04Å; T102-V114 HydrophobicContact CG2-CG2 4.36Å; L110-V114 PolarHBondContact O-N 2.87Å; R111-V114 WeakPolarHBondContact O-CB 3.21Å; R111-V114 PolarHBondContact O-N 2.99Å; V114-R116 VanDerWaalsContact C-N 3.35Å; V114-R116 PolarHBondContact O-N 2.97Å; V114-I117 PolarHBondContact O-N 2.98Å; V114-C118 WeakPolarHBondContact O-CB 3.46Å; V114-C118 PolarHBondContact O-N 3.22Å; V114-C118 PolarHBondContact O-SG 3.47Å |
| 115 | V | 94.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 180 | 170.5 | 0 | 0 | 0 | 0 | 111 | R111 E113 I117 C118 K119 A202 M205 L206 | R111-V115 HydrophobicContact CG-CG2 4.21Å; R111-V115 WeakPolarHBondContact O-CB 3.42Å; R111-V115 VanDerWaalsContact O-CG2 3.27Å; R111-V115 WeakPolarHBondContact O-CG2 3.38Å; R111-V115 PolarHBondContact O-N 3.13Å; E113-V115 VanDerWaalsContact C-N 3.33Å; E113-V115 PolarHBondContact O-N 3.09Å; V115-I117 PolarHBondContact O-N 2.74Å; V115-C118 PolarHBondContact O-N 2.93Å; V115-K119 WeakPolarHBondContact O-CB 3.46Å; V115-K119 PolarHBondContact O-N 3.37Å; V115-A202 HydrophobicContact CG2-CB 4.48Å; V115-M205 HydrophobicContact CB-CB 4.5Å; V115-M205 HydrophobicContact CB-CE 4.48Å; V115-M205 HydrophobicContact CG1-CB 4.07Å; V115-M205 HydrophobicContact CG2-CB 3.81Å; V115-M205 HydrophobicContact CG2-CE 4.33Å; V115-L206 HydrophobicContact CG1-CB 4.26Å; V115-L206 HydrophobicContact CG1-CD1 4.27Å |
| 116 | R | 93.9 | Very high | 90.8 | Very high | 108 Ų | 108 | 36.9 Ų | 36.9 | 41% | 0.408 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 176.7 | -171.2 | -171.3 | 74.8 | 78.7 | -5.1 | 111.7 | S112 E113 V114 K119 C120 | S112-R116 WeakPolarHBondContact O-CB 3.46Å; S112-R116 PolarHBondContact O-N 3.04Å; E113-R116 VanDerWaalsContact CD-NE 3.32Å; E113-R116 WeakPolarHBondContact O-CB 3.3Å; E113-R116 PolarHBondContact O-N 2.73Å; E113-R116 IonicContact OE1-CZ 3.63Å; E113-R116 IonicContact OE1-NE 3.08Å; E113-R116 PolarHBondContact OE1-NE 3.47Å; E113-R116 IonicContact OE1-NH2 3.61Å; E113-R116 PolarHBondContact OE1-NH2 2.83Å; E113-R116 IonicContact OE2-CZ 3Å; E113-R116 IonicContact OE2-NE 3.43Å; E113-R116 PolarHBondContact OE2-NE 2.97Å; E113-R116 IonicContact OE2-NH2 3.58Å; V114-R116 VanDerWaalsContact C-N 3.35Å; V114-R116 PolarHBondContact O-N 2.97Å; R116-K119 PolarHBondContact O-N 3.3Å; R116-C120 PolarHBondContact O-N 3.48Å |
| 117 | I | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -46.3 | 178.1 | -59.4 | 164.6 | 0 | 0 | 0 | 110.1 | L63 I70 L98 E113 V114 V115 K119 C120 I121 | L63-I117 HydrophobicContact CB-CD1 4.06Å; L63-I117 HydrophobicContact CD2-CD1 4.35Å; L63-I117 VanDerWaalsContact O-CD1 3.22Å; L63-I117 WeakPolarHBondContact O-CD1 3.22Å; I70-I117 HydrophobicContact CD1-CG2 3.89Å; L98-I117 HydrophobicContact CD1-CB 4.12Å; L98-I117 HydrophobicContact CD1-CG2 3.52Å; E113-I117 HydrophobicContact CG-CD1 4.29Å; E113-I117 VanDerWaalsContact O-CG1 3.25Å; E113-I117 WeakPolarHBondContact O-CG1 3.44Å; E113-I117 PolarHBondContact O-N 3.44Å; V114-I117 PolarHBondContact O-N 2.98Å; V115-I117 PolarHBondContact O-N 2.74Å; I117-K119 VanDerWaalsContact C-N 3.29Å; I117-K119 PolarHBondContact O-N 3.39Å; I117-C120 WeakPolarHBondContact O-CB 3.27Å; I117-C120 PolarHBondContact O-N 3.14Å; I117-C120 VanDerWaalsContact O-N 3.13Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.01Å |
| 118 | C | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 177.5 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | I95 V114 V115 C120 I121 I122 L206 | I95-C118 HydrophobicContact CG1-CB 4.35Å; I95-C118 HydrophobicContact CG2-CB 4.27Å; V114-C118 WeakPolarHBondContact O-CB 3.46Å; V114-C118 PolarHBondContact O-N 3.22Å; V114-C118 PolarHBondContact O-SG 3.47Å; V115-C118 PolarHBondContact O-N 2.93Å; C118-C120 PolarHBondContact O-N 3.46Å; C118-I121 PolarHBondContact O-N 3.22Å; C118-I122 WeakPolarHBondContact O-CG1 3.18Å; C118-I122 PolarHBondContact O-N 3.43Å; C118-L206 HydrophobicContact CB-CD1 3.76Å; C118-L206 HydrophobicContact CB-CD2 3.77Å; C118-L206 HydrophobicContact CB-CG 4.42Å |
| 119 | K | 94.4 | Very high | 91.2 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 19% | 0.187 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 176 | -179.1 | 57.8 | 168.9 | 75.9 | 0 | 112 | V115 R116 I117 I121 I122 D123 L206 E209 | V115-K119 WeakPolarHBondContact O-CB 3.46Å; V115-K119 PolarHBondContact O-N 3.37Å; R116-K119 PolarHBondContact O-N 3.3Å; I117-K119 VanDerWaalsContact C-N 3.29Å; I117-K119 PolarHBondContact O-N 3.39Å; K119-I121 VanDerWaalsContact C-N 3.26Å; K119-I121 PolarHBondContact O-N 3.46Å; K119-I122 PolarHBondContact O-N 3.29Å; K119-I122 VanDerWaalsContact O-N 3.16Å; K119-D123 IonicContact NZ-OD1 2.84Å; K119-D123 PolarHBondContact NZ-OD1 3.08Å; K119-D123 IonicContact NZ-OD2 3.47Å; K119-D123 PolarHBondContact NZ-OD2 2.75Å; K119-D123 PolarHBondContact O-N 2.83Å; K119-L206 HydrophobicContact CB-CD1 4.16Å; K119-E209 HydrophobicContact CD-CB 3.82Å; K119-E209 WeakPolarHBondContact CE-O 3.43Å; K119-E209 HydrophobicContact CG-CB 4.12Å |
| 120 | C | 92.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 43.9 Ų | 43.9 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -40.5 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | R116 I117 C118 D123 L124 | R116-C120 PolarHBondContact O-N 3.48Å; I117-C120 WeakPolarHBondContact O-CB 3.27Å; I117-C120 PolarHBondContact O-N 3.14Å; I117-C120 VanDerWaalsContact O-N 3.13Å; C118-C120 PolarHBondContact O-N 3.46Å; C120-D123 PolarHBondContact O-N 3.3Å; C120-L124 WeakPolarHBondContact O-CG 3.45Å |
| 121 | I | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -44.1 | 176.7 | -63 | 165.2 | 0 | 0 | 0 | 110.7 | I70 C91 I94 I95 L98 I117 C118 K119 D123 L124 | I70-I121 HydrophobicContact CD1-CD1 3.99Å; I70-I121 HydrophobicContact CD1-CG1 4.04Å; I70-I121 HydrophobicContact CG2-CG1 3.95Å; C91-I121 HydrophobicContact CB-CG2 3.54Å; I94-I121 HydrophobicContact CB-CD1 4.28Å; I94-I121 HydrophobicContact CG2-CD1 3.51Å; I95-I121 HydrophobicContact CD1-CB 4.08Å; I95-I121 HydrophobicContact CD1-CG2 3.74Å; I95-I121 HydrophobicContact CG1-CB 4.14Å; I95-I121 HydrophobicContact CG1-CD1 4.04Å; I95-I121 HydrophobicContact CG1-CG2 4Å; L98-I121 HydrophobicContact CD1-CD1 3.77Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 WeakPolarHBondContact O-CG1 3.45Å; I117-I121 PolarHBondContact O-N 3.01Å; C118-I121 PolarHBondContact O-N 3.22Å; K119-I121 VanDerWaalsContact C-N 3.26Å; K119-I121 PolarHBondContact O-N 3.46Å; I121-D123 PolarHBondContact O-N 3.25Å; I121-L124 WeakPolarHBondContact O-CB 3.29Å; I121-L124 PolarHBondContact O-N 2.98Å |
| 122 | I | 92.6 | Very high | 91.2 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -38 | 178.4 | -68.7 | 174.2 | 0 | 0 | 0 | 111.1 | I95 C118 K119 L124 L125 A130 L133 L137 L206 C210 | I95-I122 HydrophobicContact CD1-CD1 4.37Å; I95-I122 HydrophobicContact CD1-CG1 3.7Å; C118-I122 WeakPolarHBondContact O-CG1 3.18Å; C118-I122 PolarHBondContact O-N 3.43Å; K119-I122 PolarHBondContact O-N 3.29Å; K119-I122 VanDerWaalsContact O-N 3.16Å; I122-L124 PolarHBondContact O-N 3.37Å; I122-L125 WeakPolarHBondContact O-CB 3.46Å; I122-L125 PolarHBondContact O-N 3.38Å; I122-L125 VanDerWaalsContact O-N 3.07Å; I122-A130 HydrophobicContact CG2-CB 4.09Å; I122-L133 HydrophobicContact CD1-CD2 4.44Å; I122-L133 HydrophobicContact CG1-CD2 3.98Å; I122-L137 HydrophobicContact CD1-CD1 4.32Å; I122-L206 HydrophobicContact CD1-CD1 3.97Å; I122-L206 HydrophobicContact CD1-CD2 4.11Å; I122-L206 HydrophobicContact CD1-CG 4.16Å; I122-C210 WeakPolarHBondContact CD1-SG 3.33Å |
| 123 | D | 91.2 | Very high | 91.2 | Very high | 102 Ų | 102 | 44 Ų | 44 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -15.6 | 178.8 | -69.1 | -23.3 | 0 | 0 | 0 | 114.2 | K119 C120 I121 | K119-D123 IonicContact NZ-OD1 2.84Å; K119-D123 PolarHBondContact NZ-OD1 3.08Å; K119-D123 IonicContact NZ-OD2 3.47Å; K119-D123 PolarHBondContact NZ-OD2 2.75Å; K119-D123 PolarHBondContact O-N 2.83Å; C120-D123 PolarHBondContact O-N 3.3Å; I121-D123 PolarHBondContact O-N 3.25Å |
| 124 | L | 90.2 | Very high | 91.2 | Very high | 59 Ų | 59 | 43 Ų | 43 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.2 | 172.7 | -61.5 | 173.5 | 0 | 0 | 0 | 112.7 | I70 P74 L77 F87 C120 I121 I122 | I70-L124 HydrophobicContact CG2-CD1 3.83Å; P74-L124 HydrophobicContact CB-CD1 3.84Å; P74-L124 HydrophobicContact CB-CD2 3.79Å; P74-L124 HydrophobicContact CB-CG 4.47Å; P74-L124 HydrophobicContact CG-CD2 4.45Å; L77-L124 HydrophobicContact CD1-CD1 4.25Å; F87-L124 HydrophobicContact CZ-CB 4.32Å; C120-L124 WeakPolarHBondContact O-CG 3.45Å; I121-L124 WeakPolarHBondContact O-CB 3.29Å; I121-L124 PolarHBondContact O-N 2.98Å; I122-L124 PolarHBondContact O-N 3.37Å |
| 125 | L | 90.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -81.4 | 155.8 | -178 | -58.6 | 169 | 0 | 0 | 0 | 110.3 | F87 Q88 C91 I122 Y129 A130 L133 | F87-L125 HydrophobicContact CE1-CD2 3.89Å; F87-L125 HydrophobicContact CZ-CD2 4.19Å; Q88-L125 HydrophobicContact CG-CD2 4.41Å; C91-L125 HydrophobicContact CB-CD1 4.46Å; C91-L125 HydrophobicContact CB-CD2 3.71Å; C91-L125 HydrophobicContact CB-CG 4.49Å; I122-L125 WeakPolarHBondContact O-CB 3.46Å; I122-L125 PolarHBondContact O-N 3.38Å; I122-L125 VanDerWaalsContact O-N 3.07Å; L125-Y129 HydrophobicContact CB-CD1 4.36Å; L125-Y129 HydrophobicContact CD1-CD1 3.83Å; L125-Y129 HydrophobicContact CD1-CE1 4.1Å; L125-Y129 HydrophobicContact CD2-CD1 3.99Å; L125-Y129 HydrophobicContact CD2-CE1 4.3Å; L125-Y129 HydrophobicContact CG-CD1 4.26Å; L125-A130 HydrophobicContact CB-CB 4.3Å; L125-L133 HydrophobicContact CD1-CD2 3.67Å |
| 126 | N | 88.6 | Confident | 90.8 | Very high | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 25% | 0.247 | S | C | . | . | trans | -66.7 | 155 | 168.5 | 67.1 | 28.7 | 0 | 0 | 0 | 110.5 | Q88 E128 Y129 A130 | Q88-N126 PolarHBondContact NE2-ND2 2.98Å; Q88-N126 PolarHBondContact NE2-OD1 3.15Å; N126-E128 VanDerWaalsContact C-N 3.33Å; N126-E128 PolarHBondContact O-N 2.92Å; N126-Y129 PolarHBondContact O-N 3.41Å; N126-Y129 WeakPolarHBondContact OD1-CB 3.49Å; N126-Y129 PolarHBondContact OD1-N 3.49Å; N126-A130 WeakPolarHBondContact O-CB 3.46Å; N126-A130 PolarHBondContact O-N 2.99Å | ||
| 127 | E | 88.5 | Confident | 90.7 | Very high | 155 Ų | 155 | 44.8 Ų | 44.8 | 72% | 0.724 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -57.5 | -44.1 | -173.3 | -173.4 | 177.2 | -178.1 | 0 | 0 | 112.5 | Y129 A130 L131 | E127-Y129 PolarHBondContact O-N 2.92Å; E127-A130 PolarHBondContact O-N 3.36Å; E127-L131 HydrophobicContact CG-CD1 4.39Å; E127-L131 WeakPolarHBondContact O-CB 3.27Å; E127-L131 VanDerWaalsContact O-CG 3.27Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 2.97Å |
| 128 | E | 87.4 | Confident | 90.6 | Very high | 162 Ų | 162 | 44.8 Ų | 44.8 | 76% | 0.757 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.9 | -45.7 | -179.6 | -173.7 | 178 | -177.5 | 0 | 0 | 112.4 | N126 L131 S132 | N126-E128 VanDerWaalsContact C-N 3.33Å; N126-E128 PolarHBondContact O-N 2.92Å; E128-L131 PolarHBondContact O-N 2.97Å; E128-S132 PolarHBondContact O-N 2.95Å |
| 129 | Y | 88.5 | Confident | 90.4 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 13% | 0.125 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.7 | -36.9 | 179.3 | -169.5 | -96.2 | 0 | 0 | 0 | 112 | Q88 A92 L125 N126 E127 L131 S132 L133 | Q88-Y129 HydrophobicContact CB-CD1 3.94Å; Q88-Y129 HydrophobicContact CB-CD2 4.06Å; Q88-Y129 HydrophobicContact CB-CE1 3.67Å; Q88-Y129 HydrophobicContact CB-CE2 3.8Å; Q88-Y129 HydrophobicContact CB-CG 4.13Å; Q88-Y129 HydrophobicContact CG-CD1 3.83Å; Q88-Y129 HydrophobicContact CG-CD2 4.04Å; Q88-Y129 HydrophobicContact CG-CE1 4.11Å; Q88-Y129 HydrophobicContact CG-CE2 4.31Å; Q88-Y129 HydrophobicContact CG-CG 3.8Å; Q88-Y129 WeakPolarHBondContact O-CE1 3.44Å; Q88-Y129 PolarHBondContact O-OH 3.23Å; A92-Y129 WeakPolarHBondContact CB-OH 3.43Å; L125-Y129 HydrophobicContact CB-CD1 4.36Å; L125-Y129 HydrophobicContact CD1-CD1 3.83Å; L125-Y129 HydrophobicContact CD1-CE1 4.1Å; L125-Y129 HydrophobicContact CD2-CD1 3.99Å; L125-Y129 HydrophobicContact CD2-CE1 4.3Å; L125-Y129 HydrophobicContact CG-CD1 4.26Å; N126-Y129 PolarHBondContact O-N 3.41Å; N126-Y129 WeakPolarHBondContact OD1-CB 3.49Å; N126-Y129 PolarHBondContact OD1-N 3.49Å; E127-Y129 PolarHBondContact O-N 2.92Å; Y129-L131 VanDerWaalsContact C-N 3.29Å; Y129-L131 PolarHBondContact O-N 3.28Å; Y129-S132 PolarHBondContact O-N 3.38Å; Y129-L133 VanDerWaalsContact O-CB 3.32Å; Y129-L133 WeakPolarHBondContact O-CB 3.38Å; Y129-L133 PolarHBondContact O-N 3.31Å |
| 130 | A | 89.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I122 L125 N126 E127 L133 T134 | I122-A130 HydrophobicContact CG2-CB 4.09Å; L125-A130 HydrophobicContact CB-CB 4.3Å; N126-A130 WeakPolarHBondContact O-CB 3.46Å; N126-A130 PolarHBondContact O-N 2.99Å; E127-A130 PolarHBondContact O-N 3.36Å; A130-L133 PolarHBondContact O-N 3.38Å; A130-T134 PolarHBondContact O-N 3.35Å; A130-T134 PolarHBondContact O-OG1 3.21Å |
| 131 | L | 89.3 | Confident | 90.4 | Very high | 45 Ų | 45 | 45.2 Ų | 45.2 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 174.7 | -70.4 | 179 | 0 | 0 | 0 | 112.5 | E127 E128 Y129 L133 T134 K135 P213 | E127-L131 HydrophobicContact CG-CD1 4.39Å; E127-L131 WeakPolarHBondContact O-CB 3.27Å; E127-L131 VanDerWaalsContact O-CG 3.27Å; E127-L131 WeakPolarHBondContact O-CG 3.33Å; E127-L131 PolarHBondContact O-N 2.97Å; E128-L131 PolarHBondContact O-N 2.97Å; Y129-L131 VanDerWaalsContact C-N 3.29Å; Y129-L131 PolarHBondContact O-N 3.28Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 2.96Å; L131-T134 PolarHBondContact O-N 3.43Å; L131-K135 PolarHBondContact O-N 3.42Å; L131-P213 HydrophobicContact CB-CB 4.41Å; L131-P213 HydrophobicContact CD2-CB 4.31Å |
| 132 | S | 88.5 | Confident | 90.3 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | E128 Y129 K135 N136 | E128-S132 PolarHBondContact O-N 2.95Å; Y129-S132 PolarHBondContact O-N 3.38Å; S132-K135 WeakPolarHBondContact O-CB 3.28Å; S132-K135 PolarHBondContact O-N 2.94Å; S132-N136 PolarHBondContact O-N 3.18Å |
| 133 | L | 90.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.1 | -42.2 | 178.9 | -176 | 62 | 0 | 0 | 0 | 111.6 | A92 I95 I122 L125 Y129 A130 L131 K135 N136 L137 L164 | A92-L133 HydrophobicContact CB-CD1 4.13Å; I95-L133 HydrophobicContact CD1-CD2 3.63Å; I122-L133 HydrophobicContact CD1-CD2 4.44Å; I122-L133 HydrophobicContact CG1-CD2 3.98Å; L125-L133 HydrophobicContact CD1-CD2 3.67Å; Y129-L133 VanDerWaalsContact O-CB 3.32Å; Y129-L133 WeakPolarHBondContact O-CB 3.38Å; Y129-L133 PolarHBondContact O-N 3.31Å; A130-L133 PolarHBondContact O-N 3.38Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 2.96Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.3Å; L133-N136 PolarHBondContact O-N 3.02Å; L133-N136 VanDerWaalsContact O-N 3.11Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.43Å; L133-L164 HydrophobicContact CD1-CB 3.75Å; L133-L164 HydrophobicContact CD1-CD1 3.99Å; L133-L164 HydrophobicContact CD1-CD2 4.33Å; L133-L164 HydrophobicContact CD1-CG 4.25Å |
| 134 | T | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 171.9 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | A130 L131 L137 A138 L207 C210 T211 F212 | A130-T134 PolarHBondContact O-N 3.35Å; A130-T134 PolarHBondContact O-OG1 3.21Å; L131-T134 PolarHBondContact O-N 3.43Å; T134-L137 PolarHBondContact O-N 2.91Å; T134-A138 PolarHBondContact O-N 3.4Å; T134-L207 HydrophobicContact CG2-CD2 3.67Å; T134-C210 HydrophobicContact CG2-CB 4.26Å; T134-T211 PolarHBondContact OG1-O 3.17Å; T134-F212 HydrophobicContact CG2-CD2 3.91Å; T134-F212 HydrophobicContact CG2-CE2 4.32Å |
| 135 | K | 88.4 | Confident | 90.2 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.2 | -173.9 | -179.7 | 177.2 | -178.9 | 0 | 112.1 | L131 S132 L133 A138 L139 P213 F221 | L131-K135 PolarHBondContact O-N 3.42Å; S132-K135 WeakPolarHBondContact O-CB 3.28Å; S132-K135 PolarHBondContact O-N 2.94Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.3Å; K135-A138 PolarHBondContact O-N 2.92Å; K135-L139 WeakPolarHBondContact O-CG 3.31Å; K135-L139 PolarHBondContact O-N 3.37Å; K135-P213 HydrophobicContact CB-CG 4.38Å; K135-F221 HydrophobicContact CG-CE1 4.23Å; K135-F221 HydrophobicContact CG-CZ 4.1Å |
| 136 | N | 90.7 | Very high | 90.1 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.1 | -69.9 | -11.5 | 0 | 0 | 0 | 112 | S132 L133 A138 L139 E140 L164 | S132-N136 PolarHBondContact O-N 3.18Å; L133-N136 PolarHBondContact O-N 3.02Å; L133-N136 VanDerWaalsContact O-N 3.11Å; N136-A138 VanDerWaalsContact C-N 3.35Å; N136-L139 PolarHBondContact O-N 3.38Å; N136-E140 WeakPolarHBondContact O-CB 3.35Å; N136-E140 PolarHBondContact O-N 2.77Å; N136-L164 HydrophobicContact CB-CD2 3.98Å |
| 137 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.4 | -75 | 167.1 | 0 | 0 | 0 | 112 | L99 I122 L133 T134 E140 L141 L164 I203 L206 L207 | L99-L137 HydrophobicContact CD1-CD2 3.66Å; I122-L137 HydrophobicContact CD1-CD1 4.32Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.43Å; T134-L137 PolarHBondContact O-N 2.91Å; L137-E140 WeakPolarHBondContact O-CB 3.36Å; L137-E140 PolarHBondContact O-N 3.24Å; L137-L141 PolarHBondContact O-N 3.45Å; L137-L164 HydrophobicContact CD2-CD1 3.65Å; L137-L164 HydrophobicContact CD2-CD2 3.99Å; L137-L164 HydrophobicContact CD2-CG 4.47Å; L137-L164 HydrophobicContact CG-CD1 4.24Å; L137-L164 HydrophobicContact CG-CD2 4.17Å; L137-I203 HydrophobicContact CB-CG2 4.35Å; L137-L206 HydrophobicContact CD1-CD2 3.72Å; L137-L206 HydrophobicContact CD1-CG 4.25Å; L137-L206 HydrophobicContact CD2-CD2 4.24Å; L137-L207 HydrophobicContact CB-CD2 3.87Å; L137-L207 HydrophobicContact CB-CG 4.49Å |
| 138 | A | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T134 K135 N136 E140 L141 Q142 L207 F212 F221 F225 | T134-A138 PolarHBondContact O-N 3.4Å; K135-A138 PolarHBondContact O-N 2.92Å; N136-A138 VanDerWaalsContact C-N 3.35Å; A138-E140 VanDerWaalsContact C-N 3.29Å; A138-E140 PolarHBondContact O-N 3.02Å; A138-L141 WeakPolarHBondContact O-CB 3.26Å; A138-L141 PolarHBondContact O-N 3.08Å; A138-Q142 WeakPolarHBondContact O-CG 3.4Å; A138-Q142 PolarHBondContact O-N 3.15Å; A138-Q142 VanDerWaalsContact O-N 3.15Å; A138-L207 HydrophobicContact CB-CD1 4.47Å; A138-F212 HydrophobicContact CB-CE2 4.25Å; A138-F212 HydrophobicContact CB-CZ 4.24Å; A138-F221 HydrophobicContact CB-CE2 4.48Å; A138-F221 HydrophobicContact CB-CZ 3.87Å; A138-F225 HydrophobicContact CB-CD2 4.21Å; A138-F225 HydrophobicContact CB-CE1 4.47Å; A138-F225 HydrophobicContact CB-CE2 3.75Å; A138-F225 HydrophobicContact CB-CZ 3.89Å |
| 139 | L | 91.2 | Very high | 89.8 | Confident | 61 Ų | 61 | 29.4 Ų | 29.4 | 32% | 0.319 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 173 | -75.5 | 168.8 | 0 | 0 | 0 | 111.9 | K135 N136 Q142 N143 F221 | K135-L139 WeakPolarHBondContact O-CG 3.31Å; K135-L139 PolarHBondContact O-N 3.37Å; N136-L139 PolarHBondContact O-N 3.38Å; L139-Q142 WeakPolarHBondContact O-CB 3.4Å; L139-Q142 PolarHBondContact O-N 3.31Å; L139-N143 PolarHBondContact O-N 3.46Å; L139-N143 PolarHBondContact O-ND2 2.95Å; L139-F221 HydrophobicContact CD2-CD2 3.51Å; L139-F221 HydrophobicContact CD2-CE2 3.44Å; L139-F221 VanDerWaalsContact CD2-CE2 3.44Å; L139-F221 HydrophobicContact CG-CD2 4.16Å; L139-F221 HydrophobicContact CG-CE2 3.64Å; L139-F221 HydrophobicContact CG-CZ 4.49Å |
| 140 | E | 91.7 | Very high | 89.7 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 177 | -175.5 | 64.3 | -168.8 | 0 | 0 | 111.9 | N136 L137 A138 Q142 N143 L144 H160 F162 I203 | N136-E140 WeakPolarHBondContact O-CB 3.35Å; N136-E140 PolarHBondContact O-N 2.77Å; L137-E140 WeakPolarHBondContact O-CB 3.36Å; L137-E140 PolarHBondContact O-N 3.24Å; A138-E140 VanDerWaalsContact C-N 3.29Å; A138-E140 PolarHBondContact O-N 3.02Å; E140-Q142 VanDerWaalsContact C-N 3.25Å; E140-Q142 PolarHBondContact O-N 2.94Å; E140-N143 PolarHBondContact O-N 3.43Å; E140-N143 VanDerWaalsContact O-N 3.08Å; E140-L144 HydrophobicContact CG-CD1 4.13Å; E140-L144 HydrophobicContact CG-CG 4.42Å; E140-L144 WeakPolarHBondContact O-CG 3.3Å; E140-L144 PolarHBondContact O-N 3.3Å; E140-H160 IonicContact OE1-CD2 3.99Å; E140-H160 IonicContact OE1-CE1 3.86Å; E140-H160 IonicContact OE1-NE2 3.05Å; E140-H160 PolarHBondContact OE1-NE2 3.32Å; E140-H160 IonicContact OE2-NE2 2.56Å; E140-F162 HydrophobicContact CB-CE2 4.2Å; E140-F162 HydrophobicContact CG-CD2 3.61Å; E140-F162 HydrophobicContact CG-CE2 3.44Å; E140-F162 VanDerWaalsContact CG-CE2 3.44Å; E140-F162 HydrophobicContact CG-CZ 4.32Å; E140-F162 WeakPolarHBondContact OE1-CD2 3.37Å; E140-I203 HydrophobicContact CB-CD1 4.43Å; E140-I203 HydrophobicContact CG-CD1 3.93Å |
| 141 | L | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -55.3 | -43 | 174.6 | -176.3 | 57.9 | 0 | 0 | 0 | 111.4 | L137 A138 L144 H145 Q200 I203 L207 F225 L229 L247 | L137-L141 PolarHBondContact O-N 3.45Å; A138-L141 WeakPolarHBondContact O-CB 3.26Å; A138-L141 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 3.14Å; L141-H145 WeakPolarHBondContact O-CB 3.4Å; L141-H145 PolarHBondContact O-N 3.12Å; L141-Q200 HydrophobicContact CD1-CB 3.65Å; L141-Q200 HydrophobicContact CD1-CG 3.81Å; L141-I203 HydrophobicContact CB-CG2 3.96Å; L141-I203 HydrophobicContact CD1-CG2 4.46Å; L141-I203 HydrophobicContact CD2-CG2 4.43Å; L141-L207 HydrophobicContact CD2-CD1 4.01Å; L141-F225 HydrophobicContact CD2-CE2 4.03Å; L141-F225 HydrophobicContact CD2-CZ 4.46Å; L141-L229 HydrophobicContact CD2-CD2 3.82Å; L141-L247 HydrophobicContact CD2-CD2 4.16Å |
| 142 | Q | 91.4 | Very high | 88.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 175.7 | -62.8 | -176.2 | -84.5 | 0 | 0 | 112.7 | A138 L139 E140 H145 R146 F221 A224 F225 D228 | A138-Q142 WeakPolarHBondContact O-CG 3.4Å; A138-Q142 PolarHBondContact O-N 3.15Å; A138-Q142 VanDerWaalsContact O-N 3.15Å; L139-Q142 WeakPolarHBondContact O-CB 3.4Å; L139-Q142 PolarHBondContact O-N 3.31Å; E140-Q142 VanDerWaalsContact C-N 3.25Å; E140-Q142 PolarHBondContact O-N 2.94Å; Q142-H145 PolarHBondContact O-N 3.28Å; Q142-R146 WeakPolarHBondContact O-CB 3.29Å; Q142-R146 VanDerWaalsContact O-CG 3.22Å; Q142-R146 WeakPolarHBondContact O-CG 3.35Å; Q142-R146 PolarHBondContact O-N 3.03Å; Q142-F221 VanDerWaalsContact OE1-CE2 3.27Å; Q142-A224 PolarHBondContact NE2-O 3.43Å; Q142-F225 HydrophobicContact CG-CB 4.48Å; Q142-F225 HydrophobicContact CG-CD2 3.74Å; Q142-F225 VanDerWaalsContact NE2-CA 3.26Å; Q142-D228 WeakPolarHBondContact CB-OD2 3.44Å; Q142-D228 HydrophobicContact CG-CB 4.3Å; Q142-D228 VanDerWaalsContact CG-OD2 3.27Å; Q142-D228 WeakPolarHBondContact CG-OD2 3.22Å; Q142-D228 PolarHBondContact NE2-OD2 2.66Å |
| 143 | N | 91.1 | Very high | 88.3 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 179.2 | -69.5 | -27.8 | 0 | 0 | 0 | 111.1 | L139 E140 R146 L147 | L139-N143 PolarHBondContact O-N 3.46Å; L139-N143 PolarHBondContact O-ND2 2.95Å; E140-N143 PolarHBondContact O-N 3.43Å; E140-N143 VanDerWaalsContact O-N 3.08Å; N143-R146 PolarHBondContact O-N 2.93Å; N143-L147 WeakPolarHBondContact O-CB 3.46Å; N143-L147 PolarHBondContact O-N 2.64Å |
| 144 | L | 90.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 176 | -68.8 | 172.2 | 0 | 0 | 0 | 111.4 | E140 L141 R146 L147 N148 C196 V199 Q200 I203 | E140-L144 HydrophobicContact CG-CD1 4.13Å; E140-L144 HydrophobicContact CG-CG 4.42Å; E140-L144 WeakPolarHBondContact O-CG 3.3Å; E140-L144 PolarHBondContact O-N 3.3Å; L141-L144 PolarHBondContact O-N 3.14Å; L144-R146 PolarHBondContact O-N 3.36Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.12Å; L144-L147 VanDerWaalsContact O-N 3.13Å; L144-N148 PolarHBondContact O-N 2.97Å; L144-C196 PolarHBondContact O-SG 3.27Å; L144-V199 HydrophobicContact CD1-CB 4.18Å; L144-V199 HydrophobicContact CD1-CG1 3.67Å; L144-Q200 VanDerWaalsContact C-NE2 3.34Å; L144-Q200 HydrophobicContact CB-CG 3.57Å; L144-Q200 HydrophobicContact CD1-CG 4.04Å; L144-Q200 HydrophobicContact CG-CG 4.46Å; L144-Q200 PolarHBondContact O-NE2 3.44Å; L144-I203 HydrophobicContact CD1-CD1 3.63Å |
| 145 | H | 91 | Very high | 86.7 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177 | -177.4 | 52.5 | 0 | 0 | 0 | 112.5 | L141 Q142 L147 N148 C149 D228 H231 | L141-H145 WeakPolarHBondContact O-CB 3.4Å; L141-H145 PolarHBondContact O-N 3.12Å; Q142-H145 PolarHBondContact O-N 3.28Å; H145-L147 VanDerWaalsContact C-N 3.25Å; H145-L147 PolarHBondContact O-N 2.64Å; H145-N148 WeakPolarHBondContact O-CA 3.45Å; H145-N148 VanDerWaalsContact O-CB 3.28Å; H145-N148 WeakPolarHBondContact O-CB 3.42Å; H145-N148 PolarHBondContact O-N 2.87Å; H145-N148 VanDerWaalsContact O-N 3.1Å; H145-C149 PolarHBondContact O-N 2.85Å; H145-C149 PolarHBondContact O-SG 3.4Å; H145-D228 PolarHBondContact CD2-O 2.99Å; H145-D228 IonicContact CD2-OD1 3.59Å; H145-D228 PolarHBondContact NE2-O 3.19Å; H145-H231 AromaticContact CE1-ND1 3.69Å; H145-H231 AromaticContact NE2-CG 3.53Å; H145-H231 AromaticContact NE2-ND1 3.08Å; H145-H231 PolarHBondContact NE2-ND1 3.06Å |
| 146 | R | 88.8 | Confident | 85.9 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.5 | -34 | 175.2 | -72.2 | 170 | -170.2 | 168.6 | 6.9 | 112.5 | Q142 N143 L144 K150 D228 | Q142-R146 WeakPolarHBondContact O-CB 3.29Å; Q142-R146 VanDerWaalsContact O-CG 3.22Å; Q142-R146 WeakPolarHBondContact O-CG 3.35Å; Q142-R146 PolarHBondContact O-N 3.03Å; N143-R146 PolarHBondContact O-N 2.93Å; L144-R146 PolarHBondContact O-N 3.36Å; R146-K150 WeakPolarHBondContact O-CG 3.43Å; R146-K150 PolarHBondContact O-N 3.27Å; R146-D228 IonicContact NE-OD2 3.46Å; R146-D228 IonicContact NH2-OD2 3.56Å; R146-D228 PolarHBondContact NH2-OD2 2.92Å |
| 147 | L | 86.8 | Confident | 85.2 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 173.7 | -176.4 | 62.1 | 0 | 0 | 0 | 110.8 | N143 L144 H145 C149 K150 L151 F158 H160 L190 | N143-L147 WeakPolarHBondContact O-CB 3.46Å; N143-L147 PolarHBondContact O-N 2.64Å; L144-L147 WeakPolarHBondContact O-CB 3.39Å; L144-L147 PolarHBondContact O-N 3.12Å; L144-L147 VanDerWaalsContact O-N 3.13Å; H145-L147 VanDerWaalsContact C-N 3.25Å; H145-L147 PolarHBondContact O-N 2.64Å; L147-C149 VanDerWaalsContact C-N 3.31Å; L147-C149 PolarHBondContact O-N 3.41Å; L147-K150 WeakPolarHBondContact O-CA 3.46Å; L147-K150 WeakPolarHBondContact O-CB 3.38Å; L147-K150 PolarHBondContact O-N 2.83Å; L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CG 3.33Å; L147-L151 PolarHBondContact O-N 3.36Å; L147-F158 HydrophobicContact CD1-CB 4.01Å; L147-F158 HydrophobicContact CD1-CD1 4Å; L147-F158 HydrophobicContact CD1-CD2 3.93Å; L147-F158 HydrophobicContact CD1-CE1 4.46Å; L147-F158 HydrophobicContact CD1-CE2 4.38Å; L147-F158 HydrophobicContact CD1-CG 3.71Å; L147-H160 HydrophobicContact CD2-CB 4.22Å; L147-L190 HydrophobicContact CD2-CD1 3.27Å; L147-L190 HydrophobicContact CD2-CG 4.48Å |
| 148 | N | 85.9 | Confident | 84.5 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 175.5 | -146.8 | 31.1 | 0 | 0 | 0 | 111.4 | L144 H145 K150 L151 E152 I193 E197 | L144-N148 PolarHBondContact O-N 2.97Å; H145-N148 WeakPolarHBondContact O-CA 3.45Å; H145-N148 VanDerWaalsContact O-CB 3.28Å; H145-N148 WeakPolarHBondContact O-CB 3.42Å; H145-N148 PolarHBondContact O-N 2.87Å; H145-N148 VanDerWaalsContact O-N 3.1Å; N148-K150 PolarHBondContact O-N 3.08Å; N148-L151 PolarHBondContact O-N 2.96Å; N148-E152 PolarHBondContact O-N 2.91Å; N148-I193 VanDerWaalsContact OD1-CG2 3.29Å; N148-I193 WeakPolarHBondContact OD1-CG2 3.48Å; N148-E197 WeakPolarHBondContact ND2-CG 3.39Å; N148-E197 PolarHBondContact ND2-OE1 3.05Å |
| 149 | C | 85.5 | Confident | 84.1 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -28.1 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 113 | H145 L147 F153 H231 | H145-C149 PolarHBondContact O-N 2.85Å; H145-C149 PolarHBondContact O-SG 3.4Å; L147-C149 VanDerWaalsContact C-N 3.31Å; L147-C149 PolarHBondContact O-N 3.41Å; C149-F153 WeakPolarHBondContact O-CD2 3.45Å; C149-F153 WeakPolarHBondContact O-CE2 3.23Å; C149-H231 PolarHBondContact SG-CE1 3.31Å |
| 150 | K | 84.9 | Confident | 83.8 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.1 | -43.2 | 175.9 | -71.8 | 177.1 | 179.8 | -178.7 | 0 | 111.9 | R146 L147 N148 E152 F153 E154 | R146-K150 WeakPolarHBondContact O-CG 3.43Å; R146-K150 PolarHBondContact O-N 3.27Å; L147-K150 WeakPolarHBondContact O-CA 3.46Å; L147-K150 WeakPolarHBondContact O-CB 3.38Å; L147-K150 PolarHBondContact O-N 2.83Å; N148-K150 PolarHBondContact O-N 3.08Å; K150-E152 PolarHBondContact O-N 2.87Å; K150-F153 PolarHBondContact O-N 3.32Å; K150-E154 PolarHBondContact O-N 3.28Å |
| 151 | L | 82.1 | Confident | 83.4 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.5 | -32.4 | 177.5 | -74.5 | 167.9 | 0 | 0 | 0 | 111.8 | L147 N148 F153 F158 I193 | L147-L151 HydrophobicContact CG-CD1 4.1Å; L147-L151 HydrophobicContact CG-CG 4.44Å; L147-L151 WeakPolarHBondContact O-CG 3.33Å; L147-L151 PolarHBondContact O-N 3.36Å; N148-L151 PolarHBondContact O-N 2.96Å; L151-F153 PolarHBondContact O-N 3.44Å; L151-F158 HydrophobicContact CD2-CD2 3.62Å; L151-F158 HydrophobicContact CD2-CE2 3.83Å; L151-F158 HydrophobicContact CG-CD2 4.29Å; L151-F158 HydrophobicContact CG-CE2 4.41Å; L151-I193 HydrophobicContact CB-CG1 4.01Å |
| 152 | E | 78.2 | Confident | 83 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -32.1 | 175 | -168.1 | 179.7 | -176.4 | 0 | 0 | 113.4 | N148 K150 I193 | N148-E152 PolarHBondContact O-N 2.91Å; K150-E152 PolarHBondContact O-N 2.87Å; E152-I193 HydrophobicContact CB-CD1 4.31Å |
| 153 | F | 78.1 | Confident | 82.8 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 73% | 0.732 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.7 | -176.3 | -57 | -66.6 | 0 | 0 | 0 | 114.3 | C149 K150 L151 | C149-F153 WeakPolarHBondContact O-CD2 3.45Å; C149-F153 WeakPolarHBondContact O-CE2 3.23Å; K150-F153 PolarHBondContact O-N 3.32Å; L151-F153 PolarHBondContact O-N 3.44Å |
| 154 | E | 75.8 | Confident | 82.6 | Confident | 99 Ų | 99 | 62.3 Ų | 62.3 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | trans | -126 | 122.4 | -171.9 | -63.7 | -177 | 176.8 | 0 | 0 | 112 | K150 C156 | K150-E154 PolarHBondContact O-N 3.28Å; E154-C156 VanDerWaalsContact C-N 3.31Å; E154-C156 PolarHBondContact O-N 3.46Å | ||
| 155 | T | 71.6 | Confident | 82.4 | Confident | 151 Ų | 151 | 63 Ų | 63 | 93% | 0.926 | 33% | 0.328 | S | S | * | . | trans | -80.7 | 76.7 | 169.6 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 156 | C | 71.5 | Confident | 81.9 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | trans | -137.9 | 145.5 | 179.1 | -73.1 | 0 | 0 | 0 | 0 | 110.5 | E154 F158 | E154-C156 VanDerWaalsContact C-N 3.31Å; E154-C156 PolarHBondContact O-N 3.46Å; C156-F158 HydrophobicContact CB-CE2 3.89Å; C156-F158 HydrophobicContact CB-CZ 4.12Å; C156-F158 WeakPolarHBondContact O-CD2 3.46Å | ||
| 157 | T | 76.5 | Confident | 81.5 | Confident | 92 Ų | 92 | 65.4 Ų | 65.4 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | trans | -86.2 | 130.8 | 170.9 | 54.1 | 0 | 0 | 0 | 0 | 110 | D191 | T157-D191 HydrophobicContact CG2-CB 3.71Š| ||
| 158 | F | 78.8 | Confident | 81.3 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 23% | 0.232 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.3 | 177.8 | -65.9 | -90.1 | 0 | 0 | 0 | 110 | L147 L151 C156 L190 | L147-F158 HydrophobicContact CD1-CB 4.01Å; L147-F158 HydrophobicContact CD1-CD1 4Å; L147-F158 HydrophobicContact CD1-CD2 3.93Å; L147-F158 HydrophobicContact CD1-CE1 4.46Å; L147-F158 HydrophobicContact CD1-CE2 4.38Å; L147-F158 HydrophobicContact CD1-CG 3.71Å; L151-F158 HydrophobicContact CD2-CD2 3.62Å; L151-F158 HydrophobicContact CD2-CE2 3.83Å; L151-F158 HydrophobicContact CG-CD2 4.29Å; L151-F158 HydrophobicContact CG-CE2 4.41Å; C156-F158 HydrophobicContact CB-CE2 3.89Å; C156-F158 HydrophobicContact CB-CZ 4.12Å; C156-F158 WeakPolarHBondContact O-CD2 3.46Å; F158-L190 PolarHBondContact N-O 3.04Å; F158-L190 PolarHBondContact O-N 3.38Å |
| 159 | I | 81.6 | Confident | 81.2 | Confident | 115 Ų | 115 | 69.8 Ų | 69.8 | 59% | 0.59 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 106.1 | 167.2 | -58.6 | 174.5 | 0 | 0 | 0 | 107.1 | Q187 | I159-Q187 HydrophobicContact CG2-CB 4.15Å; I159-Q187 HydrophobicContact CG2-CG 4.33Å |
| 160 | H | 84 | Confident | 81.2 | Confident | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 131.1 | 175.7 | -177.4 | 57 | 0 | 0 | 0 | 110.4 | E140 L147 I188 L190 | E140-H160 IonicContact OE1-CD2 3.99Å; E140-H160 IonicContact OE1-CE1 3.86Å; E140-H160 IonicContact OE1-NE2 3.05Å; E140-H160 PolarHBondContact OE1-NE2 3.32Å; E140-H160 IonicContact OE2-NE2 2.56Å; L147-H160 HydrophobicContact CD2-CB 4.22Å; H160-I188 PolarHBondContact N-O 3.29Å; H160-I188 PolarHBondContact O-N 3.28Å; H160-L190 HydrophobicContact CB-CD1 3.89Å |
| 161 | V | 84.8 | Confident | 81.1 | Confident | 76 Ų | 76 | 66 Ų | 66 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 107.5 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | S185 Q187 | V161-S185 WeakPolarHBondContact CG1-OG 3.49Å; V161-Q187 HydrophobicContact CG2-CG 4.41Å |
| 162 | F | 84.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.8 | 178.2 | 177.5 | -141.6 | 0 | 0 | 0 | 110.9 | T96 L99 E140 L164 V186 I188 | T96-F162 HydrophobicContact CG2-CD1 3.46Å; T96-F162 VanDerWaalsContact CG2-CD1 3.46Å; T96-F162 HydrophobicContact CG2-CD2 4.26Å; T96-F162 HydrophobicContact CG2-CE1 3.59Å; T96-F162 HydrophobicContact CG2-CE2 4.34Å; T96-F162 HydrophobicContact CG2-CG 3.83Å; T96-F162 HydrophobicContact CG2-CZ 4.04Å; T96-F162 VanDerWaalsContact CG2-O 3.31Å; T96-F162 WeakPolarHBondContact CG2-O 3.41Å; T96-F162 WeakPolarHBondContact O-CE1 3.25Å; L99-F162 HydrophobicContact CB-CE1 3.87Å; L99-F162 HydrophobicContact CB-CZ 4.39Å; L99-F162 HydrophobicContact CD1-CE1 4.24Å; L99-F162 HydrophobicContact CD1-CZ 3.91Å; E140-F162 HydrophobicContact CB-CE2 4.2Å; E140-F162 HydrophobicContact CG-CD2 3.61Å; E140-F162 HydrophobicContact CG-CE2 3.44Å; E140-F162 VanDerWaalsContact CG-CE2 3.44Å; E140-F162 HydrophobicContact CG-CZ 4.32Å; E140-F162 WeakPolarHBondContact OE1-CD2 3.37Å; F162-L164 HydrophobicContact CE2-CD1 4.33Å; F162-L164 HydrophobicContact CE2-CD2 3.84Å; F162-L164 HydrophobicContact CE2-CG 3.73Å; F162-L164 HydrophobicContact CZ-CD1 3.98Å; F162-L164 HydrophobicContact CZ-CD2 4.3Å; F162-L164 HydrophobicContact CZ-CG 3.88Å; F162-V186 PolarHBondContact N-O 3.3Å; F162-V186 PolarHBondContact O-N 3.06Å; F162-I188 HydrophobicContact CB-CD1 4Å; F162-I188 HydrophobicContact CD1-CD1 4.37Å |
| 163 | S | 87.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 69.9 Ų | 69.9 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | trans | -152.6 | 124.6 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | A165 | S163-A165 PolarHBondContact OG-N 3.08Å; S163-A165 PolarHBondContact OG-O 3.37Å | ||
| 164 | L | 87.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | trans | -91.3 | -17.1 | 168.5 | -60.3 | 170.3 | 0 | 0 | 0 | 112.7 | A92 I95 T96 L99 L133 N136 L137 F162 | A92-L164 HydrophobicContact CB-CB 4.08Å; I95-L164 HydrophobicContact CB-CD1 4.24Å; I95-L164 HydrophobicContact CG2-CD1 3.62Å; T96-L164 WeakPolarHBondContact OG1-CB 3.33Å; T96-L164 WeakPolarHBondContact OG1-CG 3.31Å; T96-L164 PolarHBondContact OG1-N 2.86Å; L99-L164 HydrophobicContact CD1-CD1 4.38Å; L133-L164 HydrophobicContact CD1-CB 3.75Å; L133-L164 HydrophobicContact CD1-CD1 3.99Å; L133-L164 HydrophobicContact CD1-CD2 4.33Å; L133-L164 HydrophobicContact CD1-CG 4.25Å; N136-L164 HydrophobicContact CB-CD2 3.98Å; L137-L164 HydrophobicContact CD2-CD1 3.65Å; L137-L164 HydrophobicContact CD2-CD2 3.99Å; L137-L164 HydrophobicContact CD2-CG 4.47Å; L137-L164 HydrophobicContact CG-CD1 4.24Å; L137-L164 HydrophobicContact CG-CD2 4.17Å; F162-L164 HydrophobicContact CE2-CD1 4.33Å; F162-L164 HydrophobicContact CE2-CD2 3.84Å; F162-L164 HydrophobicContact CE2-CG 3.73Å; F162-L164 HydrophobicContact CZ-CD1 3.98Å; F162-L164 HydrophobicContact CZ-CD2 4.3Å; F162-L164 HydrophobicContact CZ-CG 3.88Å | ||
| 165 | A | 85 | Confident | 80.1 | Confident | 17 Ų | 17 | 66 Ų | 66 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | trans | -73.5 | 139.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A92 W93 S163 | A92-A165 HydrophobicContact CB-CB 4.41Å; W93-A165 HydrophobicContact CB-CB 4.37Å; S163-A165 PolarHBondContact OG-N 3.08Å; S163-A165 PolarHBondContact OG-O 3.37Å | ||
| 166 | S | 80.8 | Confident | 79.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -80.3 | -19.3 | 178.9 | 64 | 0 | 0 | 0 | 0 | 113.5 | N89 | N89-S166 PolarHBondContact ND2-OG 3.31Å; N89-S166 PolarHBondContact OD1-N 2.76Å; N89-S166 PolarHBondContact OD1-OG 3.39Å |
| 167 | M | 81.5 | Confident | 78.9 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 35% | 0.345 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -146.1 | 149.4 | 179.3 | 67.2 | -174.9 | -174.2 | 0 | 0 | 111.4 | T85 N89 L169 | T85-M167 HydrophobicContact CG2-CE 3.95Å; T85-M167 HydrophobicContact CG2-SD 4.48Å; N89-M167 HydrophobicContact CB-CE 4.45Å; N89-M167 HydrophobicContact CB-CG 4.44Å; N89-M167 PolarHBondContact OD1-N 3.3Å; M167-L169 HydrophobicContact CE-CD2 3.63Å; M167-L169 HydrophobicContact CG-CD2 4.19Å |
| 168 | P | 81.1 | Confident | 78.4 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 73% | 0.727 | 37% | 0.372 | S | S | * | . | trans | -65.7 | 142.4 | 170.4 | 28.7 | -34 | 0 | 0 | 0 | 110.2 | ||||
| 169 | L | 84.7 | Confident | 78.3 | Confident | 8 Ų | 8 | 65.1 Ų | 65.1 | 4% | 0.042 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.5 | 179.4 | -60.5 | 173 | 0 | 0 | 0 | 110.6 | F86 N89 L90 M167 L183 | F86-L169 HydrophobicContact CD2-CD2 3.74Å; F86-L169 HydrophobicContact CE2-CB 4.36Å; F86-L169 HydrophobicContact CE2-CD1 4.49Å; F86-L169 HydrophobicContact CE2-CD2 3.94Å; N89-L169 HydrophobicContact CB-CD1 3.79Å; N89-L169 HydrophobicContact CB-CD2 4.08Å; N89-L169 HydrophobicContact CB-CG 4.19Å; L90-L169 HydrophobicContact CB-CD1 4.04Å; M167-L169 HydrophobicContact CE-CD2 3.63Å; M167-L169 HydrophobicContact CG-CD2 4.19Å; L169-L183 HydrophobicContact CB-CB 4.04Å; L169-L183 HydrophobicContact CB-CD1 4.05Å; L169-L183 HydrophobicContact CB-CG 4.25Å; L169-L183 HydrophobicContact CD1-CD1 4.31Å; L169-L183 PolarHBondContact O-N 3.32Å |
| 170 | V | 84.8 | Confident | 78.3 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.8 | 170.2 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | R172 D180 L181 | V170-R172 HydrophobicContact CG1-CG 4.3Å; V170-D180 HydrophobicContact CG1-CB 3.86Å; V170-L181 WeakPolarHBondContact CA-O 3.43Å |
| 171 | V | 83 | Confident | 78.1 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.6 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | Y30 Y80 F86 L181 L183 | Y30-V171 HydrophobicContact CD2-CG1 4.05Å; Y80-V171 HydrophobicContact CD2-CG1 4.18Å; Y80-V171 HydrophobicContact CE1-CG1 4.44Å; Y80-V171 HydrophobicContact CE2-CG1 3.48Å; Y80-V171 VanDerWaalsContact CE2-CG1 3.48Å; Y80-V171 WeakPolarHBondContact OH-CA 2.89Å; F86-V171 HydrophobicContact CZ-CG2 4.2Å; V171-L181 HydrophobicContact CB-CB 4.29Å; V171-L181 PolarHBondContact N-O 3.28Å; V171-L181 PolarHBondContact O-N 2.77Å; V171-L183 HydrophobicContact CG2-CD1 3.54Å; V171-L183 HydrophobicContact CG2-CD2 4.32Å; V171-L183 HydrophobicContact CG2-CG 3.92Å |
| 172 | R | 82.1 | Confident | 78 | Confident | 148 Ų | 148 | 61.3 Ų | 61.3 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -112.3 | 145.9 | -179 | -57.5 | -166.3 | 166.7 | 143.5 | 1.1 | 109.7 | Y80 V170 D180 | Y80-R172 PolarHBondContact OH-N 2.79Å; Y80-R172 PolarHBondContact OH-O 3.49Å; V170-R172 HydrophobicContact CG1-CG 4.3Å; R172-D180 WeakPolarHBondContact CD-OD1 3.43Å; R172-D180 WeakPolarHBondContact CG-OD1 3.22Å; R172-D180 IonicContact CZ-OD2 2.82Å; R172-D180 IonicContact NE-OD1 3.7Å; R172-D180 PolarHBondContact NE-OD1 2.94Å; R172-D180 IonicContact NE-OD2 3.31Å; R172-D180 PolarHBondContact NE-OD2 3.29Å; R172-D180 IonicContact NH2-OD2 3.99Å; R172-D180 PolarHBondContact NH2-OD2 3.18Å; R172-D180 VanDerWaalsContact NH2-OD2 3.14Å | ||
| 173 | F | 79.2 | Confident | 78 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | trans | -77 | 140.1 | 168.9 | -165.5 | -104.7 | 0 | 0 | 0 | 110.2 | C27 Y30 H31 D175 G176 S178 | C27-F173 HydrophobicContact CB-CD2 4.3Å; C27-F173 HydrophobicContact CB-CE2 3.65Å; C27-F173 HydrophobicContact CB-CZ 4.15Å; Y30-F173 HydrophobicContact CD1-CB 4.3Å; Y30-F173 AromaticContact CD1-CD2 3.49Å; Y30-F173 HydrophobicContact CD1-CD2 3.49Å; Y30-F173 VanDerWaalsContact CD1-CD2 3.49Å; Y30-F173 HydrophobicContact CD1-CE2 4.28Å; Y30-F173 HydrophobicContact CD1-CG 4.34Å; Y30-F173 HydrophobicContact CD2-CB 3.99Å; Y30-F173 HydrophobicContact CD2-CD2 4.49Å; Y30-F173 HydrophobicContact CE1-CB 4.36Å; Y30-F173 AromaticContact CE1-CD2 3.99Å; Y30-F173 HydrophobicContact CE1-CD2 3.99Å; Y30-F173 HydrophobicContact CE2-CB 4.02Å; Y30-F173 HydrophobicContact CG-CB 4.13Å; Y30-F173 AromaticContact CG-CD2 3.79Å; Y30-F173 HydrophobicContact CG-CD2 3.79Å; Y30-F173 HydrophobicContact CG-CG 4.49Å; H31-F173 AromaticContact CE1-CE2 3.44Å; H31-F173 VanDerWaalsContact CE1-CE2 3.44Å; H31-F173 WeakPolarHBondContact CE1-CE2 3.39Å; H31-F173 AromaticContact NE2-CE2 3.62Å; F173-D175 HydrophobicContact CD1-CB 3.96Å; F173-D175 HydrophobicContact CE1-CB 3.99Å; F173-D175 PolarHBondContact O-N 2.83Å; F173-D175 VanDerWaalsContact O-N 3.11Å; F173-G176 PolarHBondContact O-N 2.77Å; F173-G176 VanDerWaalsContact O-N 3.08Å; F173-S178 WeakPolarHBondContact CB-OG 3.33Å | ||
| 174 | A | 67.3 | Low | 77.6 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.2 | -172 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 175 | D | 64.6 | Low | 77.2 | Confident | 127 Ų | 127 | 67.2 Ų | 67.2 | 68% | 0.679 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3.6 | -177.1 | -65.1 | -28.7 | 0 | 0 | 0 | 114.4 | F173 A177 | F173-D175 HydrophobicContact CD1-CB 3.96Å; F173-D175 HydrophobicContact CE1-CB 3.99Å; F173-D175 PolarHBondContact O-N 2.83Å; F173-D175 VanDerWaalsContact O-N 3.11Å; D175-A177 PolarHBondContact O-N 3.16Å |
| 176 | G | 58.1 | Low | 76.9 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 64.5 | 0.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | F173 | F173-G176 PolarHBondContact O-N 2.77Å; F173-G176 VanDerWaalsContact O-N 3.08Å |
| 177 | A | 59.8 | Low | 76.9 | Confident | 98 Ų | 98 | 69 Ų | 69 | 81% | 0.81 | 40% | 0.4 | S | S | * | . | trans | -92.1 | -3.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D175 | D175-A177 PolarHBondContact O-N 3.16Š| ||
| 178 | S | 65.7 | Low | 76.6 | Confident | 40 Ų | 40 | 66 Ų | 66 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -106.2 | 168.2 | 179.4 | 80.1 | 0 | 0 | 0 | 0 | 112.2 | Y30 F173 | Y30-S178 WeakPolarHBondContact OH-CB 3.45Å; Y30-S178 PolarHBondContact OH-OG 3.46Å; F173-S178 WeakPolarHBondContact CB-OG 3.33Å |
| 179 | E | 77.4 | Confident | 76.3 | Confident | 142 Ų | 142 | 67 Ų | 67 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | trans | -62.4 | 142 | 172 | -170.9 | 170.2 | -176.3 | 0 | 0 | 111.6 | Y30 L181 | Y30-E179 WeakPolarHBondContact CE2-O 3.46Å; Y30-E179 PolarHBondContact OH-O 2.89Å; Y30-E179 VanDerWaalsContact OH-O 3.06Å; E179-L181 PolarHBondContact O-N 3.45Å | ||
| 180 | D | 81.5 | Confident | 75.9 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | trans | -72.9 | 117.9 | 170.2 | -85 | 11.5 | 0 | 0 | 0 | 108.2 | V170 R172 S182 | V170-D180 HydrophobicContact CG1-CB 3.86Å; R172-D180 WeakPolarHBondContact CD-OD1 3.43Å; R172-D180 WeakPolarHBondContact CG-OD1 3.22Å; R172-D180 IonicContact CZ-OD2 2.82Å; R172-D180 IonicContact NE-OD1 3.7Å; R172-D180 PolarHBondContact NE-OD1 2.94Å; R172-D180 IonicContact NE-OD2 3.31Å; R172-D180 PolarHBondContact NE-OD2 3.29Å; R172-D180 IonicContact NH2-OD2 3.99Å; R172-D180 PolarHBondContact NH2-OD2 3.18Å; R172-D180 VanDerWaalsContact NH2-OD2 3.14Å; D180-S182 PolarHBondContact O-N 3.43Å | ||
| 181 | L | 80.2 | Confident | 75.4 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 107.4 | 175.4 | -66.6 | 175.2 | 0 | 0 | 0 | 109.6 | Y30 C33 Y34 H38 V170 V171 E179 L183 | Y30-L181 HydrophobicContact CD2-CD1 3.87Å; Y30-L181 HydrophobicContact CD2-CG 4.3Å; Y30-L181 HydrophobicContact CE1-CD1 4.43Å; Y30-L181 HydrophobicContact CE2-CD1 3.65Å; Y30-L181 HydrophobicContact CE2-CG 3.67Å; Y30-L181 HydrophobicContact CG-CD1 4.36Å; C33-L181 HydrophobicContact CB-CD1 3.91Å; Y34-L181 HydrophobicContact CD2-CD1 4.48Å; Y34-L181 HydrophobicContact CD2-CD2 4.16Å; H38-L181 WeakPolarHBondContact NE2-CD2 3.43Å; V170-L181 WeakPolarHBondContact CA-O 3.43Å; V171-L181 HydrophobicContact CB-CB 4.29Å; V171-L181 PolarHBondContact N-O 3.28Å; V171-L181 PolarHBondContact O-N 2.77Å; E179-L181 PolarHBondContact O-N 3.45Å; L181-L183 HydrophobicContact CB-CD2 4.22Å; L181-L183 PolarHBondContact O-N 2.56Å |
| 182 | S | 82.5 | Confident | 75.1 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 108.2 | 170.8 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | D180 E184 | D180-S182 PolarHBondContact O-N 3.43Å; S182-E184 PolarHBondContact O-N 3.05Å; S182-E184 VanDerWaalsContact O-N 3.08Å |
| 183 | L | 84.7 | Confident | 75.1 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 84.4 | 178.8 | -52.7 | -168.5 | 0 | 0 | 0 | 109.1 | C33 L90 W93 L169 V171 L181 | C33-L183 HydrophobicContact CB-CD2 4.23Å; L90-L183 HydrophobicContact CD1-CD1 3.72Å; W93-L183 HydrophobicContact CD2-CB 3.95Å; W93-L183 HydrophobicContact CD2-CD1 4.01Å; W93-L183 HydrophobicContact CD2-CD2 4.44Å; W93-L183 HydrophobicContact CD2-CG 4.36Å; W93-L183 HydrophobicContact CE3-CD1 3.97Å; W93-L183 HydrophobicContact CE3-CD2 4.47Å; W93-L183 HydrophobicContact CG-CB 4.08Å; W93-L183 HydrophobicContact CG-CD1 4.44Å; W93-L183 HydrophobicContact CH2-CD2 3.75Å; W93-L183 HydrophobicContact CZ2-CB 4.12Å; W93-L183 HydrophobicContact CZ2-CD2 3.64Å; W93-L183 HydrophobicContact CZ2-CG 4.33Å; W93-L183 HydrophobicContact CZ3-CD1 4.33Å; W93-L183 HydrophobicContact CZ3-CD2 4.17Å; L169-L183 HydrophobicContact CB-CB 4.04Å; L169-L183 HydrophobicContact CB-CD1 4.05Å; L169-L183 HydrophobicContact CB-CG 4.25Å; L169-L183 HydrophobicContact CD1-CD1 4.31Å; L169-L183 PolarHBondContact O-N 3.32Å; V171-L183 HydrophobicContact CG2-CD1 3.54Å; V171-L183 HydrophobicContact CG2-CD2 4.32Å; V171-L183 HydrophobicContact CG2-CG 3.92Å; L181-L183 HydrophobicContact CB-CD2 4.22Å; L181-L183 PolarHBondContact O-N 2.56Å |
| 184 | E | 77.9 | Confident | 75.3 | Confident | 128 Ų | 128 | 70.2 Ų | 70.2 | 60% | 0.598 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 167.6 | 178.6 | -62.8 | -174.3 | 173.6 | 0 | 0 | 112.3 | W93 S182 | W93-E184 PolarHBondContact NE1-O 3.01Å; S182-E184 PolarHBondContact O-N 3.05Å; S182-E184 VanDerWaalsContact O-N 3.08Å |
| 185 | S | 79.5 | Confident | 76.1 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 152 | 171.3 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | V161 | V161-S185 WeakPolarHBondContact CG1-OG 3.49Š|
| 186 | V | 78.5 | Confident | 77 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 9% | 0.085 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126.8 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | T96 K97 A100 F162 I188 | T96-V186 HydrophobicContact CG2-CB 4.46Å; T96-V186 HydrophobicContact CG2-CG2 3.88Å; K97-V186 HydrophobicContact CD-CG2 3.64Å; K97-V186 HydrophobicContact CG-CG2 4.31Å; A100-V186 HydrophobicContact CB-CB 4.32Å; A100-V186 HydrophobicContact CB-CG1 3.71Å; A100-V186 HydrophobicContact CB-CG2 4.08Å; F162-V186 PolarHBondContact N-O 3.3Å; F162-V186 PolarHBondContact O-N 3.06Å; V186-I188 HydrophobicContact CG1-CG1 3.89Å |
| 187 | Q | 80.4 | Confident | 78.5 | Confident | 136 Ų | 136 | 59.8 Ų | 59.8 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.7 | 165.9 | -67.5 | -176.6 | -1.5 | 0 | 0 | 108.3 | I159 V161 | I159-Q187 HydrophobicContact CG2-CB 4.15Å; I159-Q187 HydrophobicContact CG2-CG 4.33Å; V161-Q187 HydrophobicContact CG2-CG 4.41Å |
| 188 | I | 75.8 | Confident | 79.8 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114.7 | 176.3 | -54.1 | 172 | 0 | 0 | 0 | 106 | V103 H160 F162 V186 L190 | V103-I188 HydrophobicContact CB-CG2 4.29Å; V103-I188 HydrophobicContact CG1-CG2 3.55Å; V103-I188 HydrophobicContact CG2-CB 4.49Å; V103-I188 HydrophobicContact CG2-CD1 3.65Å; V103-I188 HydrophobicContact CG2-CG1 3.99Å; V103-I188 HydrophobicContact CG2-CG2 3.66Å; H160-I188 PolarHBondContact N-O 3.29Å; H160-I188 PolarHBondContact O-N 3.28Å; F162-I188 HydrophobicContact CB-CD1 4Å; F162-I188 HydrophobicContact CD1-CD1 4.37Å; V186-I188 HydrophobicContact CG1-CG1 3.89Å; I188-L190 HydrophobicContact CB-CG 4.5Å; I188-L190 HydrophobicContact CG2-CD1 4.41Å; I188-L190 HydrophobicContact CG2-CD2 3.59Å; I188-L190 HydrophobicContact CG2-CG 3.8Å |
| 189 | E | 74.8 | Confident | 81 | Confident | 132 Ų | 132 | 53.5 Ų | 53.5 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 122.2 | 167.4 | -172.3 | 171 | -173.1 | 0 | 0 | 108 | ||
| 190 | L | 76 | Confident | 81.7 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 108.1 | -179 | -65.5 | 172.3 | 0 | 0 | 0 | 108 | L147 F158 H160 I188 P195 C196 | L147-L190 HydrophobicContact CD2-CD1 3.27Å; L147-L190 HydrophobicContact CD2-CG 4.48Å; F158-L190 PolarHBondContact N-O 3.04Å; F158-L190 PolarHBondContact O-N 3.38Å; H160-L190 HydrophobicContact CB-CD1 3.89Å; I188-L190 HydrophobicContact CB-CG 4.5Å; I188-L190 HydrophobicContact CG2-CD1 4.41Å; I188-L190 HydrophobicContact CG2-CD2 3.59Å; I188-L190 HydrophobicContact CG2-CG 3.8Å; L190-P195 HydrophobicContact CD2-CB 3.71Å; L190-C196 HydrophobicContact CD2-CB 4.44Å |
| 191 | D | 74.2 | Confident | 82.3 | Confident | 115 Ų | 115 | 43.5 Ų | 43.5 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -107.4 | -12.1 | 175.8 | 64.3 | -24 | 0 | 0 | 0 | 113 | T157 | T157-D191 HydrophobicContact CG2-CB 3.71Š|
| 192 | D | 77.9 | Confident | 82.9 | Confident | 89 Ų | 89 | 43.2 Ų | 43.2 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -142 | 166.2 | -179.8 | -157.2 | -7.4 | 0 | 0 | 0 | 111.6 | P195 | D192-P195 WeakPolarHBondContact O-CD 3.36Š|
| 193 | I | 81.8 | Confident | 83.5 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 24% | 0.241 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -42.9 | 177.3 | -73.5 | 172.4 | 0 | 0 | 0 | 111 | N148 L151 E152 C196 E197 | N148-I193 VanDerWaalsContact OD1-CG2 3.29Å; N148-I193 WeakPolarHBondContact OD1-CG2 3.48Å; L151-I193 HydrophobicContact CB-CG1 4.01Å; E152-I193 HydrophobicContact CB-CD1 4.31Å; I193-C196 WeakPolarHBondContact O-CA 3.21Å; I193-C196 VanDerWaalsContact O-CB 3.28Å; I193-C196 WeakPolarHBondContact O-CB 3.47Å; I193-C196 PolarHBondContact O-N 3.3Å; I193-E197 VanDerWaalsContact CG2-CD 3.41Å; I193-E197 HydrophobicContact CG2-CG 3.79Å; I193-E197 PolarHBondContact O-N 3.05Å |
| 194 | E | 83 | Confident | 84 | Confident | 80 Ų | 80 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.5 | -45.8 | -170.8 | -174.3 | -178.6 | -161.9 | 0 | 0 | 113.7 | P105 C196 E197 C198 | P105-E194 HydrophobicContact CB-CG 4.35Å; P105-E194 HydrophobicContact CG-CG 3.91Å; E194-C196 VanDerWaalsContact C-N 3.28Å; E194-C196 PolarHBondContact O-N 3.39Å; E194-E197 PolarHBondContact O-N 3.36Å; E194-C198 PolarHBondContact O-N 2.95Å; E194-C198 PolarHBondContact O-SG 3.03Å |
| 195 | P | 83 | Confident | 84.8 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -36.7 | 175.7 | -25.3 | 35.6 | 0 | 0 | 0 | 113.5 | V103 L190 D192 V199 | V103-P195 HydrophobicContact CG1-CB 4.01Å; V103-P195 VanDerWaalsContact O-CA 3.24Å; V103-P195 WeakPolarHBondContact O-CA 3.22Å; V103-P195 VanDerWaalsContact O-CB 3.3Å; V103-P195 WeakPolarHBondContact O-CB 3.24Å; L190-P195 HydrophobicContact CD2-CB 3.71Å; D192-P195 WeakPolarHBondContact O-CD 3.36Å; P195-V199 PolarHBondContact O-N 2.87Å |
| 196 | C | 84.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.3 | -46.5 | 178.5 | -163.4 | 0 | 0 | 0 | 0 | 110.1 | L144 L190 I193 E194 C198 V199 Q200 | L144-C196 PolarHBondContact O-SG 3.27Å; L190-C196 HydrophobicContact CD2-CB 4.44Å; I193-C196 WeakPolarHBondContact O-CA 3.21Å; I193-C196 VanDerWaalsContact O-CB 3.28Å; I193-C196 WeakPolarHBondContact O-CB 3.47Å; I193-C196 PolarHBondContact O-N 3.3Å; E194-C196 VanDerWaalsContact C-N 3.28Å; E194-C196 PolarHBondContact O-N 3.39Å; C196-C198 VanDerWaalsContact C-N 3.34Å; C196-C198 PolarHBondContact O-N 3.44Å; C196-V199 PolarHBondContact O-N 3.02Å; C196-Q200 VanDerWaalsContact O-CG 3.24Å; C196-Q200 WeakPolarHBondContact O-CG 3.46Å; C196-Q200 PolarHBondContact O-N 2.96Å; C196-Q200 PolarHBondContact SG-NE2 3.48Å |
| 197 | E | 88.7 | Confident | 86.3 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.5 | -65.6 | -173.5 | 146.4 | 0 | 0 | 113.2 | N148 I193 E194 V199 Q200 S201 A236 D237 L240 | N148-E197 WeakPolarHBondContact ND2-CG 3.39Å; N148-E197 PolarHBondContact ND2-OE1 3.05Å; I193-E197 VanDerWaalsContact CG2-CD 3.41Å; I193-E197 HydrophobicContact CG2-CG 3.79Å; I193-E197 PolarHBondContact O-N 3.05Å; E194-E197 PolarHBondContact O-N 3.36Å; E197-V199 PolarHBondContact O-N 2.96Å; E197-Q200 PolarHBondContact O-N 3.39Å; E197-S201 VanDerWaalsContact O-CB 3.31Å; E197-S201 WeakPolarHBondContact O-CB 3.18Å; E197-S201 PolarHBondContact O-N 3.2Å; E197-A236 WeakPolarHBondContact OE1-CA 2.91Å; E197-D237 PolarHBondContact OE1-N 3.15Å; E197-D237 WeakPolarHBondContact OE2-CB 3.3Å; E197-L240 HydrophobicContact CB-CD2 3.87Å; E197-L240 HydrophobicContact CG-CD2 3.85Å |
| 198 | C | 88.1 | Confident | 86.9 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.2 | -69 | 0 | 0 | 0 | 0 | 111.9 | T102 E194 C196 S201 A202 | T102-C198 WeakPolarHBondContact O-CB 3.19Å; E194-C198 PolarHBondContact O-N 2.95Å; E194-C198 PolarHBondContact O-SG 3.03Å; C196-C198 VanDerWaalsContact C-N 3.34Å; C196-C198 PolarHBondContact O-N 3.44Å; C198-S201 WeakPolarHBondContact O-CB 3.48Å; C198-S201 PolarHBondContact O-N 3.49Å; C198-A202 PolarHBondContact O-N 3.27Å; C198-A202 VanDerWaalsContact O-N 3.16Å |
| 199 | V | 89.6 | Confident | 87.6 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 176.1 | -179 | 0 | 0 | 0 | 0 | 111.1 | V103 L144 P195 C196 E197 S201 A202 I203 | V103-V199 HydrophobicContact CB-CG2 4.17Å; V103-V199 HydrophobicContact CG2-CG2 3.4Å; V103-V199 VanDerWaalsContact CG2-CG2 3.4Å; L144-V199 HydrophobicContact CD1-CB 4.18Å; L144-V199 HydrophobicContact CD1-CG1 3.67Å; P195-V199 PolarHBondContact O-N 2.87Å; C196-V199 PolarHBondContact O-N 3.02Å; E197-V199 PolarHBondContact O-N 2.96Å; V199-S201 PolarHBondContact O-N 3Å; V199-A202 WeakPolarHBondContact O-CB 3.29Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-A202 VanDerWaalsContact O-N 3.12Å; V199-I203 HydrophobicContact CG1-CD1 3.88Å; V199-I203 HydrophobicContact CG1-CG1 4.36Å; V199-I203 WeakPolarHBondContact O-CG1 3.18Å; V199-I203 PolarHBondContact O-N 2.98Å |
| 200 | Q | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.2 | -41.2 | 176.1 | -68.4 | 173.9 | 37.7 | 0 | 0 | 111.2 | L141 L144 C196 E197 A202 I203 C204 L240 | L141-Q200 HydrophobicContact CD1-CB 3.65Å; L141-Q200 HydrophobicContact CD1-CG 3.81Å; L144-Q200 VanDerWaalsContact C-NE2 3.34Å; L144-Q200 HydrophobicContact CB-CG 3.57Å; L144-Q200 HydrophobicContact CD1-CG 4.04Å; L144-Q200 HydrophobicContact CG-CG 4.46Å; L144-Q200 PolarHBondContact O-NE2 3.44Å; C196-Q200 VanDerWaalsContact O-CG 3.24Å; C196-Q200 WeakPolarHBondContact O-CG 3.46Å; C196-Q200 PolarHBondContact O-N 2.96Å; C196-Q200 PolarHBondContact SG-NE2 3.48Å; E197-Q200 PolarHBondContact O-N 3.39Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.15Å; Q200-I203 PolarHBondContact O-N 3.04Å; Q200-C204 WeakPolarHBondContact O-CB 3.5Å; Q200-C204 PolarHBondContact O-N 3.28Å; Q200-C204 PolarHBondContact O-SG 2.87Å; Q200-C204 VanDerWaalsContact O-SG 3.35Å; Q200-L240 HydrophobicContact CB-CD1 3.73Å; Q200-L240 HydrophobicContact CB-CD2 3.93Å; Q200-L240 VanDerWaalsContact OE1-CD2 3.28Å |
| 201 | S | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.6 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | R111 E197 C198 V199 C204 M205 Q243 | R111-S201 PolarHBondContact NH1-OG 3.43Å; R111-S201 VanDerWaalsContact NH1-OG 3.12Å; E197-S201 VanDerWaalsContact O-CB 3.31Å; E197-S201 WeakPolarHBondContact O-CB 3.18Å; E197-S201 PolarHBondContact O-N 3.2Å; C198-S201 WeakPolarHBondContact O-CB 3.48Å; C198-S201 PolarHBondContact O-N 3.49Å; V199-S201 PolarHBondContact O-N 3Å; S201-C204 PolarHBondContact O-N 2.57Å; S201-M205 WeakPolarHBondContact O-CG 3.38Å; S201-M205 PolarHBondContact O-N 2.84Å; S201-Q243 WeakPolarHBondContact OG-CG 3.44Å |
| 202 | A | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L99 T102 R111 V115 C198 V199 Q200 M205 L206 | L99-A202 HydrophobicContact CD2-CB 3.89Å; T102-A202 HydrophobicContact CG2-CB 3.92Å; R111-A202 HydrophobicContact CG-CB 3.71Å; V115-A202 HydrophobicContact CG2-CB 4.48Å; C198-A202 PolarHBondContact O-N 3.27Å; C198-A202 VanDerWaalsContact O-N 3.16Å; V199-A202 WeakPolarHBondContact O-CB 3.29Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-A202 VanDerWaalsContact O-N 3.12Å; Q200-A202 VanDerWaalsContact C-N 3.34Å; Q200-A202 PolarHBondContact O-N 3.15Å; A202-M205 PolarHBondContact O-N 3.01Å; A202-L206 WeakPolarHBondContact O-CB 3.4Å; A202-L206 PolarHBondContact O-N 2.84Å |
| 203 | I | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 176 | -66.2 | 169 | 0 | 0 | 0 | 110.4 | L99 L137 E140 L141 L144 V199 Q200 M205 L206 L207 | L99-I203 HydrophobicContact CD1-CG1 4.25Å; L99-I203 HydrophobicContact CD2-CG1 4.45Å; L137-I203 HydrophobicContact CB-CG2 4.35Å; E140-I203 HydrophobicContact CB-CD1 4.43Å; E140-I203 HydrophobicContact CG-CD1 3.93Å; L141-I203 HydrophobicContact CB-CG2 3.96Å; L141-I203 HydrophobicContact CD1-CG2 4.46Å; L141-I203 HydrophobicContact CD2-CG2 4.43Å; L144-I203 HydrophobicContact CD1-CD1 3.63Å; V199-I203 HydrophobicContact CG1-CD1 3.88Å; V199-I203 HydrophobicContact CG1-CG1 4.36Å; V199-I203 WeakPolarHBondContact O-CG1 3.18Å; V199-I203 PolarHBondContact O-N 2.98Å; Q200-I203 PolarHBondContact O-N 3.04Å; I203-M205 PolarHBondContact O-N 3.43Å; I203-L206 PolarHBondContact O-N 2.91Å; I203-L207 HydrophobicContact CG2-CD1 3.83Å; I203-L207 HydrophobicContact CG2-CG 4.13Å; I203-L207 WeakPolarHBondContact O-CB 3.44Å; I203-L207 VanDerWaalsContact O-CG 3.3Å; I203-L207 WeakPolarHBondContact O-CG 3.3Å; I203-L207 PolarHBondContact O-N 2.89Å |
| 204 | C | 95.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.2 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | Q200 S201 L206 L207 V208 Q243 | Q200-C204 WeakPolarHBondContact O-CB 3.5Å; Q200-C204 PolarHBondContact O-N 3.28Å; Q200-C204 PolarHBondContact O-SG 2.87Å; Q200-C204 VanDerWaalsContact O-SG 3.35Å; S201-C204 PolarHBondContact O-N 2.57Å; C204-L206 VanDerWaalsContact C-N 3.32Å; C204-L206 PolarHBondContact O-N 3.29Å; C204-L207 PolarHBondContact O-N 3.32Å; C204-V208 VanDerWaalsContact O-CG2 3.25Å; C204-V208 WeakPolarHBondContact O-CG2 3.34Å; C204-V208 PolarHBondContact O-N 2.98Å; C204-Q243 HydrophobicContact CB-CB 3.64Å |
| 205 | M | 95.5 | Very high | 86.8 | Confident | 31 Ų | 31 | 24.7 Ų | 24.7 | 15% | 0.153 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.5 | -42.7 | 176 | -76.3 | -176.6 | 60.1 | 0 | 0 | 112.4 | R111 V115 S201 A202 I203 V208 E209 Q243 | R111-M205 HydrophobicContact CG-SD 4.21Å; R111-M205 PolarHBondContact NE-SD 3.22Å; V115-M205 HydrophobicContact CB-CB 4.5Å; V115-M205 HydrophobicContact CB-CE 4.48Å; V115-M205 HydrophobicContact CG1-CB 4.07Å; V115-M205 HydrophobicContact CG2-CB 3.81Å; V115-M205 HydrophobicContact CG2-CE 4.33Å; S201-M205 WeakPolarHBondContact O-CG 3.38Å; S201-M205 PolarHBondContact O-N 2.84Å; A202-M205 PolarHBondContact O-N 3.01Å; I203-M205 PolarHBondContact O-N 3.43Å; M205-V208 WeakPolarHBondContact O-CB 3.47Å; M205-V208 PolarHBondContact O-N 3.31Å; M205-E209 PolarHBondContact O-N 3.33Å; M205-Q243 HydrophobicContact CG-CB 4.4Å; M205-Q243 HydrophobicContact CG-CG 3.78Å; M205-Q243 VanDerWaalsContact CG-OE1 3.28Å; M205-Q243 HydrophobicContact SD-CG 4.44Å |
| 206 | L | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 178.4 | -175.2 | 58.4 | 0 | 0 | 0 | 111.8 | I95 L99 V115 C118 K119 I122 L137 A202 I203 C204 V208 E209 C210 | I95-L206 HydrophobicContact CG2-CD2 4.33Å; L99-L206 HydrophobicContact CD1-CD2 4.33Å; L99-L206 HydrophobicContact CD2-CD2 4.44Å; V115-L206 HydrophobicContact CG1-CB 4.26Å; V115-L206 HydrophobicContact CG1-CD1 4.27Å; C118-L206 HydrophobicContact CB-CD1 3.76Å; C118-L206 HydrophobicContact CB-CD2 3.77Å; C118-L206 HydrophobicContact CB-CG 4.42Å; K119-L206 HydrophobicContact CB-CD1 4.16Å; I122-L206 HydrophobicContact CD1-CD1 3.97Å; I122-L206 HydrophobicContact CD1-CD2 4.11Å; I122-L206 HydrophobicContact CD1-CG 4.16Å; L137-L206 HydrophobicContact CD1-CD2 3.72Å; L137-L206 HydrophobicContact CD1-CG 4.25Å; L137-L206 HydrophobicContact CD2-CD2 4.24Å; A202-L206 WeakPolarHBondContact O-CB 3.4Å; A202-L206 PolarHBondContact O-N 2.84Å; I203-L206 PolarHBondContact O-N 2.91Å; C204-L206 VanDerWaalsContact C-N 3.32Å; C204-L206 PolarHBondContact O-N 3.29Å; L206-V208 PolarHBondContact O-N 3.47Å; L206-E209 PolarHBondContact O-N 3.22Å; L206-C210 PolarHBondContact O-N 3.35Å; L206-C210 VanDerWaalsContact O-N 3.09Å; L206-C210 PolarHBondContact O-SG 3.37Å |
| 207 | L | 93.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -32.7 | 175.6 | -69.7 | 175.9 | 0 | 0 | 0 | 111.8 | T134 L137 A138 L141 I203 C204 E209 C210 F225 L247 K250 | T134-L207 HydrophobicContact CG2-CD2 3.67Å; L137-L207 HydrophobicContact CB-CD2 3.87Å; L137-L207 HydrophobicContact CB-CG 4.49Å; A138-L207 HydrophobicContact CB-CD1 4.47Å; L141-L207 HydrophobicContact CD2-CD1 4.01Å; I203-L207 HydrophobicContact CG2-CD1 3.83Å; I203-L207 HydrophobicContact CG2-CG 4.13Å; I203-L207 WeakPolarHBondContact O-CB 3.44Å; I203-L207 VanDerWaalsContact O-CG 3.3Å; I203-L207 WeakPolarHBondContact O-CG 3.3Å; I203-L207 PolarHBondContact O-N 2.89Å; C204-L207 PolarHBondContact O-N 3.32Å; L207-E209 PolarHBondContact O-N 3.22Å; L207-C210 PolarHBondContact O-N 3.25Å; L207-F225 HydrophobicContact CD1-CZ 4.34Å; L207-L247 HydrophobicContact CB-CD1 3.65Å; L207-L247 HydrophobicContact CB-CD2 4.12Å; L207-L247 HydrophobicContact CD1-CD2 3.87Å; L207-K250 PolarHBondContact O-NZ 3.28Å |
| 208 | V | 92.6 | Very high | 82.5 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -21.4 | 171.8 | 170.8 | 0 | 0 | 0 | 0 | 112.7 | C204 M205 L206 R246 L247 K250 | C204-V208 VanDerWaalsContact O-CG2 3.25Å; C204-V208 WeakPolarHBondContact O-CG2 3.34Å; C204-V208 PolarHBondContact O-N 2.98Å; M205-V208 WeakPolarHBondContact O-CB 3.47Å; M205-V208 PolarHBondContact O-N 3.31Å; L206-V208 PolarHBondContact O-N 3.47Å; V208-R246 HydrophobicContact CG2-CB 4.01Å; V208-L247 HydrophobicContact CG2-CB 3.85Å; V208-L247 HydrophobicContact CG2-CD1 4.25Å; V208-K250 WeakPolarHBondContact O-CD 3.47Å; V208-K250 VanDerWaalsContact O-CE 3.3Å; V208-K250 WeakPolarHBondContact O-CE 3.41Å; V208-K250 PolarHBondContact O-NZ 3.48Å |
| 209 | E | 90.3 | Very high | 81.7 | Confident | 114 Ų | 114 | 48.8 Ų | 48.8 | 53% | 0.533 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -97.8 | -20.2 | 176 | -63.1 | -63.2 | 155.4 | 0 | 0 | 113.1 | K119 M205 L206 L207 | K119-E209 HydrophobicContact CD-CB 3.82Å; K119-E209 WeakPolarHBondContact CE-O 3.43Å; K119-E209 HydrophobicContact CG-CB 4.12Å; M205-E209 PolarHBondContact O-N 3.33Å; L206-E209 PolarHBondContact O-N 3.22Å; L207-E209 PolarHBondContact O-N 3.22Å |
| 210 | C | 88.2 | Confident | 81.1 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -90.6 | 152.2 | -172.6 | -64 | 0 | 0 | 0 | 0 | 115.3 | I122 T134 L206 L207 F212 K250 | I122-C210 WeakPolarHBondContact CD1-SG 3.33Å; T134-C210 HydrophobicContact CG2-CB 4.26Å; L206-C210 PolarHBondContact O-N 3.35Å; L206-C210 VanDerWaalsContact O-N 3.09Å; L206-C210 PolarHBondContact O-SG 3.37Å; L207-C210 PolarHBondContact O-N 3.25Å; C210-F212 PolarHBondContact O-N 3.16Å; C210-K250 WeakPolarHBondContact O-CE 3.3Å; C210-K250 PolarHBondContact O-NZ 2.73Å |
| 211 | T | 83.1 | Confident | 80.5 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 56% | 0.564 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 124.4 | 169.1 | 44.3 | 0 | 0 | 0 | 0 | 109.8 | T134 | T134-T211 PolarHBondContact OG1-O 3.17Š|
| 212 | F | 78.6 | Confident | 79.7 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 134.7 | 176.9 | -149.2 | -96 | 0 | 0 | 0 | 109.6 | T134 A138 C210 V215 F225 L251 | T134-F212 HydrophobicContact CG2-CD2 3.91Å; T134-F212 HydrophobicContact CG2-CE2 4.32Å; A138-F212 HydrophobicContact CB-CE2 4.25Å; A138-F212 HydrophobicContact CB-CZ 4.24Å; C210-F212 PolarHBondContact O-N 3.16Å; F212-V215 HydrophobicContact CD1-CG2 4.5Å; F212-V215 HydrophobicContact CE1-CG2 4.16Å; F212-F225 AromaticContact CE2-CE1 3.94Å; F212-F225 HydrophobicContact CE2-CE1 3.94Å; F212-F225 HydrophobicContact CE2-CZ 4.3Å; F212-F225 HydrophobicContact CZ-CD1 4.08Å; F212-F225 AromaticContact CZ-CE1 3.62Å; F212-F225 HydrophobicContact CZ-CE1 3.62Å; F212-F225 HydrophobicContact CZ-CZ 4.31Å; F212-L251 HydrophobicContact CB-CD2 4.22Å; F212-L251 HydrophobicContact CD1-CD2 4.04Å; F212-L251 HydrophobicContact CD2-CD2 3.76Å; F212-L251 HydrophobicContact CE1-CD2 4.35Å; F212-L251 HydrophobicContact CE2-CD2 4.09Å; F212-L251 HydrophobicContact CG-CD2 3.72Å; F212-L251 HydrophobicContact CZ-CD2 4.38Å |
| 213 | P | 72.7 | Confident | 79 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 144.2 | 177.4 | 23.9 | -33.9 | 0 | 0 | 0 | 110.8 | L131 K135 V215 | L131-P213 HydrophobicContact CB-CB 4.41Å; L131-P213 HydrophobicContact CD2-CB 4.31Å; K135-P213 HydrophobicContact CB-CG 4.38Å; P213-V215 HydrophobicContact CG-CG2 4.31Å; P213-V215 WeakPolarHBondContact O-CG2 3.46Å; P213-V215 PolarHBondContact O-N 2.94Å |
| 214 | H | 69 | Low | 78.5 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 63% | 0.634 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 117.3 | 165.9 | -172.3 | 42.2 | 0 | 0 | 0 | 107.5 | N256 | H214-N256 HydrophobicContact CB-CB 4.48Å; H214-N256 PolarHBondContact ND1-O 3.3Å |
| 215 | V | 60.1 | Low | 78.1 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | trans | -105.2 | 136 | -179.9 | -162 | 0 | 0 | 0 | 0 | 109.7 | F212 P213 S219 V222 | F212-V215 HydrophobicContact CD1-CG2 4.5Å; F212-V215 HydrophobicContact CE1-CG2 4.16Å; P213-V215 HydrophobicContact CG-CG2 4.31Å; P213-V215 WeakPolarHBondContact O-CG2 3.46Å; P213-V215 PolarHBondContact O-N 2.94Å; V215-S219 WeakPolarHBondContact CG1-OG 3.11Å; V215-V222 HydrophobicContact CB-CG2 3.43Å; V215-V222 VanDerWaalsContact CB-CG2 3.43Å; V215-V222 HydrophobicContact CG1-CG2 3.24Å; V215-V222 HydrophobicContact CG2-CG2 3.77Å | ||
| 216 | E | 60 | Low | 77.5 | Confident | 164 Ų | 164 | 63.5 Ų | 63.5 | 77% | 0.766 | 31% | 0.313 | S | S | * | . | trans | -59.1 | 138.5 | 174.6 | -65.6 | -176 | 174.8 | 0 | 0 | 110.5 | H218 S219 | E216-H218 PolarHBondContact O-N 3.44Å; E216-S219 PolarHBondContact O-N 3.34Å | ||
| 217 | R | 53.3 | Low | 77 | Confident | 179 Ų | 179 | 66.3 Ų | 66.3 | 68% | 0.675 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -20.7 | -172.5 | -73.3 | 176.5 | -177.8 | -172.4 | -0.3 | 116.3 | S260 | R217-S260 WeakPolarHBondContact CB-OG 3.32Š|
| 218 | H | 52.5 | Low | 76.9 | Confident | 165 Ų | 165 | 67.4 Ų | 67.4 | 76% | 0.764 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | 27.5 | -170.5 | -60.1 | -54.9 | 0 | 0 | 0 | 113.7 | E216 | E216-H218 PolarHBondContact O-N 3.44Š|
| 219 | S | 69.9 | Low | 76.8 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 24% | 0.238 | 32% | 0.323 | C | S | . | . | trans | -78.1 | 126.4 | 171.8 | 77 | 0 | 0 | 0 | 0 | 110.9 | V215 E216 F221 V222 | V215-S219 WeakPolarHBondContact CG1-OG 3.11Å; E216-S219 PolarHBondContact O-N 3.34Å; S219-F221 PolarHBondContact O-N 2.95Å; S219-V222 PolarHBondContact O-N 2.98Å; S219-V222 VanDerWaalsContact O-N 3.08Å; S219-V222 VanDerWaalsContact OG-CG2 3.25Å; S219-V222 WeakPolarHBondContact OG-CG2 3.38Å; S219-V222 PolarHBondContact OG-N 3.3Å | ||
| 220 | D | 77.1 | Confident | 76.7 | Confident | 147 Ų | 147 | 60.6 Ų | 60.6 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -52.2 | -29.6 | 171.3 | -66.5 | -28.9 | 0 | 0 | 0 | 111.8 | A224 | D220-A224 VanDerWaalsContact O-CB 3.3Å; D220-A224 WeakPolarHBondContact O-CB 3.29Å; D220-A224 PolarHBondContact O-N 3.32Å |
| 221 | F | 80.6 | Confident | 76.7 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.1 | -52.8 | 174.9 | 168.3 | -107.6 | 0 | 0 | 0 | 113 | K135 A138 L139 Q142 S219 F223 A224 F225 | K135-F221 HydrophobicContact CG-CE1 4.23Å; K135-F221 HydrophobicContact CG-CZ 4.1Å; A138-F221 HydrophobicContact CB-CE2 4.48Å; A138-F221 HydrophobicContact CB-CZ 3.87Å; L139-F221 HydrophobicContact CD2-CD2 3.51Å; L139-F221 HydrophobicContact CD2-CE2 3.44Å; L139-F221 VanDerWaalsContact CD2-CE2 3.44Å; L139-F221 HydrophobicContact CG-CD2 4.16Å; L139-F221 HydrophobicContact CG-CE2 3.64Å; L139-F221 HydrophobicContact CG-CZ 4.49Å; Q142-F221 VanDerWaalsContact OE1-CE2 3.27Å; S219-F221 PolarHBondContact O-N 2.95Å; F221-F223 PolarHBondContact O-N 3.47Å; F221-A224 PolarHBondContact O-N 2.99Å; F221-F225 VanDerWaalsContact O-CB 3.27Å; F221-F225 WeakPolarHBondContact O-CB 3.43Å; F221-F225 PolarHBondContact O-N 3.37Å |
| 222 | V | 77.4 | Confident | 77.1 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | -176.4 | 170.7 | 0 | 0 | 0 | 0 | 111 | V215 S219 F225 W226 | V215-V222 HydrophobicContact CB-CG2 3.43Å; V215-V222 VanDerWaalsContact CB-CG2 3.43Å; V215-V222 HydrophobicContact CG1-CG2 3.24Å; V215-V222 HydrophobicContact CG2-CG2 3.77Å; S219-V222 PolarHBondContact O-N 2.98Å; S219-V222 VanDerWaalsContact O-N 3.08Å; S219-V222 VanDerWaalsContact OG-CG2 3.25Å; S219-V222 WeakPolarHBondContact OG-CG2 3.38Å; S219-V222 PolarHBondContact OG-N 3.3Å; V222-F225 PolarHBondContact O-N 2.85Å; V222-W226 VanDerWaalsContact O-CD1 3.29Å; V222-W226 PolarHBondContact O-N 2.85Å |
| 223 | F | 78.4 | Confident | 77.5 | Confident | 106 Ų | 106 | 58.8 Ų | 58.8 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -50.2 | 178.2 | 179.8 | -98.1 | 0 | 0 | 0 | 110.9 | F221 F225 W226 M227 F261 | F221-F223 PolarHBondContact O-N 3.47Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.84Å; F223-W226 PolarHBondContact O-N 2.93Å; F223-M227 HydrophobicContact CD1-CG 4.26Å; F223-M227 HydrophobicContact CE1-CG 3.79Å; F223-M227 HydrophobicContact CE2-CG 4.22Å; F223-M227 HydrophobicContact CE2-SD 4.25Å; F223-M227 HydrophobicContact CZ-CG 3.76Å; F223-M227 HydrophobicContact CZ-SD 4.04Å; F223-M227 WeakPolarHBondContact O-CG 3.49Å; F223-M227 PolarHBondContact O-N 3.25Å; F223-F261 HydrophobicContact CD2-CD2 4.37Å; F223-F261 AromaticContact CD2-CE2 3.93Å; F223-F261 HydrophobicContact CD2-CE2 3.93Å; F223-F261 HydrophobicContact CE2-CE2 4.12Å |
| 224 | A | 84.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q142 D220 F221 W226 M227 D228 | Q142-A224 PolarHBondContact NE2-O 3.43Å; D220-A224 VanDerWaalsContact O-CB 3.3Å; D220-A224 WeakPolarHBondContact O-CB 3.29Å; D220-A224 PolarHBondContact O-N 3.32Å; F221-A224 PolarHBondContact O-N 2.99Å; A224-W226 VanDerWaalsContact C-N 3.33Å; A224-W226 PolarHBondContact O-N 3.34Å; A224-M227 PolarHBondContact O-N 3.03Å; A224-D228 WeakPolarHBondContact O-CB 3.29Å; A224-D228 PolarHBondContact O-N 3.03Å; A224-D228 VanDerWaalsContact O-OD2 3.08Å |
| 225 | F | 86.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -180 | -178.9 | -121.2 | 0 | 0 | 0 | 111.7 | A138 L141 Q142 L207 F212 F221 V222 F223 D228 L229 L247 L251 | A138-F225 HydrophobicContact CB-CD2 4.21Å; A138-F225 HydrophobicContact CB-CE1 4.47Å; A138-F225 HydrophobicContact CB-CE2 3.75Å; A138-F225 HydrophobicContact CB-CZ 3.89Å; L141-F225 HydrophobicContact CD2-CE2 4.03Å; L141-F225 HydrophobicContact CD2-CZ 4.46Å; Q142-F225 HydrophobicContact CG-CB 4.48Å; Q142-F225 HydrophobicContact CG-CD2 3.74Å; Q142-F225 VanDerWaalsContact NE2-CA 3.26Å; L207-F225 HydrophobicContact CD1-CZ 4.34Å; F212-F225 AromaticContact CE2-CE1 3.94Å; F212-F225 HydrophobicContact CE2-CE1 3.94Å; F212-F225 HydrophobicContact CE2-CZ 4.3Å; F212-F225 HydrophobicContact CZ-CD1 4.08Å; F212-F225 AromaticContact CZ-CE1 3.62Å; F212-F225 HydrophobicContact CZ-CE1 3.62Å; F212-F225 HydrophobicContact CZ-CZ 4.31Å; F221-F225 VanDerWaalsContact O-CB 3.27Å; F221-F225 WeakPolarHBondContact O-CB 3.43Å; F221-F225 PolarHBondContact O-N 3.37Å; V222-F225 PolarHBondContact O-N 2.85Å; F223-F225 VanDerWaalsContact C-N 3.28Å; F223-F225 PolarHBondContact O-N 2.84Å; F225-D228 PolarHBondContact O-N 3.07Å; F225-L229 HydrophobicContact CD1-CD1 4.14Å; F225-L229 HydrophobicContact CD2-CG 4.48Å; F225-L229 HydrophobicContact CE1-CD1 3.69Å; F225-L229 HydrophobicContact CE1-CG 4.45Å; F225-L229 HydrophobicContact CE2-CD1 4.28Å; F225-L229 HydrophobicContact CE2-CD2 4.25Å; F225-L229 HydrophobicContact CE2-CG 4.2Å; F225-L229 HydrophobicContact CZ-CD1 3.77Å; F225-L229 HydrophobicContact CZ-CD2 4.27Å; F225-L229 HydrophobicContact CZ-CG 4.18Å; F225-L229 WeakPolarHBondContact O-CG 3.36Å; F225-L229 PolarHBondContact O-N 2.99Å; F225-L247 HydrophobicContact CZ-CD2 4.24Å; F225-L251 HydrophobicContact CE1-CD1 3.9Å |
| 226 | W | 83.2 | Confident | 80.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 174.1 | -90.4 | 106.8 | 0 | 0 | 0 | 113.1 | V222 F223 A224 D228 L229 L230 I248 L251 V252 F257 F261 L266 | V222-W226 VanDerWaalsContact O-CD1 3.29Å; V222-W226 PolarHBondContact O-N 2.85Å; F223-W226 PolarHBondContact O-N 2.93Å; A224-W226 VanDerWaalsContact C-N 3.33Å; A224-W226 PolarHBondContact O-N 3.34Å; W226-D228 PolarHBondContact O-N 3.04Å; W226-L229 PolarHBondContact O-N 2.89Å; W226-L229 VanDerWaalsContact O-N 3.16Å; W226-L230 HydrophobicContact CE3-CD1 4.43Å; W226-L230 HydrophobicContact CE3-CD2 4.5Å; W226-L230 HydrophobicContact CE3-CG 4.31Å; W226-L230 VanDerWaalsContact O-CG 3.26Å; W226-L230 WeakPolarHBondContact O-CG 3.46Å; W226-L230 PolarHBondContact O-N 3.14Å; W226-I248 HydrophobicContact CH2-CB 4.35Å; W226-I248 HydrophobicContact CH2-CG1 4.27Å; W226-I248 HydrophobicContact CH2-CG2 3.92Å; W226-I248 HydrophobicContact CZ3-CB 4.26Å; W226-I248 HydrophobicContact CZ3-CD1 4.45Å; W226-I248 HydrophobicContact CZ3-CG1 3.82Å; W226-I248 HydrophobicContact CZ3-CG2 3.81Å; W226-L251 HydrophobicContact CH2-CB 4.16Å; W226-L251 HydrophobicContact CH2-CD1 4.4Å; W226-L251 HydrophobicContact CZ2-CB 3.83Å; W226-L251 HydrophobicContact CZ2-CD1 4.09Å; W226-V252 HydrophobicContact CH2-CG2 3.91Å; W226-V252 HydrophobicContact CZ2-CG2 4.45Å; W226-F257 AromaticContact CE2-CE2 3.46Å; W226-F257 VanDerWaalsContact CE2-CE2 3.46Å; W226-F257 AromaticContact CE2-CZ 3.42Å; W226-F257 VanDerWaalsContact CE2-CZ 3.42Å; W226-F257 HydrophobicContact CH2-CZ 4.33Å; W226-F257 HydrophobicContact CZ2-CD2 4.32Å; W226-F257 HydrophobicContact CZ2-CE1 4.33Å; W226-F257 AromaticContact CZ2-CE2 3.24Å; W226-F257 HydrophobicContact CZ2-CE2 3.24Å; W226-F257 AromaticContact CZ2-CZ 3.23Å; W226-F257 HydrophobicContact CZ2-CZ 3.23Å; W226-F257 AromaticContact NE1-CE2 3.17Å; W226-F257 AromaticContact NE1-CZ 3.29Å; W226-F257 VanDerWaalsContact NE1-CZ 3.29Å; W226-F261 HydrophobicContact CB-CD2 4.27Å; W226-F261 HydrophobicContact CB-CE2 3.64Å; W226-F261 HydrophobicContact CB-CZ 4.03Å; W226-F261 HydrophobicContact CG-CD2 4.21Å; W226-F261 HydrophobicContact CG-CE2 4.03Å; W226-F261 HydrophobicContact CG-CZ 4.44Å; W226-L266 HydrophobicContact CZ3-CD1 4.3Å |
| 227 | M | 86.1 | Confident | 81.5 | Confident | 60 Ų | 60 | 54 Ų | 54 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 179.1 | -64.8 | -50.4 | -57.7 | 0 | 0 | 111.1 | F223 A224 L230 H231 F261 F265 | F223-M227 HydrophobicContact CD1-CG 4.26Å; F223-M227 HydrophobicContact CE1-CG 3.79Å; F223-M227 HydrophobicContact CE2-CG 4.22Å; F223-M227 HydrophobicContact CE2-SD 4.25Å; F223-M227 HydrophobicContact CZ-CG 3.76Å; F223-M227 HydrophobicContact CZ-SD 4.04Å; F223-M227 WeakPolarHBondContact O-CG 3.49Å; F223-M227 PolarHBondContact O-N 3.25Å; A224-M227 PolarHBondContact O-N 3.03Å; M227-L230 PolarHBondContact O-N 2.88Å; M227-L230 HydrophobicContact SD-CD1 4.5Å; M227-H231 WeakPolarHBondContact O-CB 3.5Å; M227-H231 PolarHBondContact O-N 3.43Å; M227-F261 HydrophobicContact SD-CZ 4.33Å; M227-F265 HydrophobicContact CE-CD1 4.41Å; M227-F265 HydrophobicContact SD-CG 4.43Å |
| 228 | D | 90 | Very high | 83.2 | Confident | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.4 | -69.6 | -33 | 0 | 0 | 0 | 111 | Q142 H145 R146 A224 F225 W226 H231 Q232 | Q142-D228 WeakPolarHBondContact CB-OD2 3.44Å; Q142-D228 HydrophobicContact CG-CB 4.3Å; Q142-D228 VanDerWaalsContact CG-OD2 3.27Å; Q142-D228 WeakPolarHBondContact CG-OD2 3.22Å; Q142-D228 PolarHBondContact NE2-OD2 2.66Å; H145-D228 PolarHBondContact CD2-O 2.99Å; H145-D228 IonicContact CD2-OD1 3.59Å; H145-D228 PolarHBondContact NE2-O 3.19Å; R146-D228 IonicContact NE-OD2 3.46Å; R146-D228 IonicContact NH2-OD2 3.56Å; R146-D228 PolarHBondContact NH2-OD2 2.92Å; A224-D228 WeakPolarHBondContact O-CB 3.29Å; A224-D228 PolarHBondContact O-N 3.03Å; A224-D228 VanDerWaalsContact O-OD2 3.08Å; F225-D228 PolarHBondContact O-N 3.07Å; W226-D228 PolarHBondContact O-N 3.04Å; D228-H231 PolarHBondContact O-N 3.33Å; D228-Q232 VanDerWaalsContact O-CB 3.29Å; D228-Q232 WeakPolarHBondContact O-CB 3.48Å; D228-Q232 PolarHBondContact O-N 3.26Å |
| 229 | L | 91 | Very high | 85 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.6 | -69.8 | 178.4 | 0 | 0 | 0 | 113.3 | L141 F225 W226 Q232 L233 T244 L247 I248 L251 | L141-L229 HydrophobicContact CD2-CD2 3.82Å; F225-L229 HydrophobicContact CD1-CD1 4.14Å; F225-L229 HydrophobicContact CD2-CG 4.48Å; F225-L229 HydrophobicContact CE1-CD1 3.69Å; F225-L229 HydrophobicContact CE1-CG 4.45Å; F225-L229 HydrophobicContact CE2-CD1 4.28Å; F225-L229 HydrophobicContact CE2-CD2 4.25Å; F225-L229 HydrophobicContact CE2-CG 4.2Å; F225-L229 HydrophobicContact CZ-CD1 3.77Å; F225-L229 HydrophobicContact CZ-CD2 4.27Å; F225-L229 HydrophobicContact CZ-CG 4.18Å; F225-L229 WeakPolarHBondContact O-CG 3.36Å; F225-L229 PolarHBondContact O-N 2.99Å; W226-L229 PolarHBondContact O-N 2.89Å; W226-L229 VanDerWaalsContact O-N 3.16Å; L229-Q232 WeakPolarHBondContact O-CB 3.35Å; L229-Q232 PolarHBondContact O-N 2.83Å; L229-L233 PolarHBondContact O-N 3.1Å; L229-T244 HydrophobicContact CB-CG2 4.28Å; L229-T244 HydrophobicContact CD2-CG2 4.07Å; L229-T244 VanDerWaalsContact O-CG2 3.31Å; L229-T244 WeakPolarHBondContact O-CG2 3.46Å; L229-L247 HydrophobicContact CD1-CD2 4.3Å; L229-L247 HydrophobicContact CD2-CD2 3.94Å; L229-I248 HydrophobicContact CB-CD1 4.21Å; L229-I248 HydrophobicContact CB-CG1 4.31Å; L229-I248 HydrophobicContact CD1-CG1 4.21Å; L229-L251 HydrophobicContact CD1-CD1 3.8Å |
| 230 | L | 88.7 | Confident | 86 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -43 | 178.2 | -65.6 | 168.9 | 0 | 0 | 0 | 110.5 | W226 M227 Q232 L233 E234 I248 F261 F265 L266 D269 | W226-L230 HydrophobicContact CE3-CD1 4.43Å; W226-L230 HydrophobicContact CE3-CD2 4.5Å; W226-L230 HydrophobicContact CE3-CG 4.31Å; W226-L230 VanDerWaalsContact O-CG 3.26Å; W226-L230 WeakPolarHBondContact O-CG 3.46Å; W226-L230 PolarHBondContact O-N 3.14Å; M227-L230 PolarHBondContact O-N 2.88Å; M227-L230 HydrophobicContact SD-CD1 4.5Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.43Å; L230-L233 WeakPolarHBondContact O-CB 3.25Å; L230-L233 PolarHBondContact O-N 3.43Å; L230-L233 VanDerWaalsContact O-N 3.16Å; L230-E234 PolarHBondContact O-N 2.85Å; L230-I248 HydrophobicContact CD2-CD1 4.38Å; L230-F261 HydrophobicContact CD1-CE1 4.44Å; L230-F261 HydrophobicContact CD1-CZ 4.13Å; L230-F265 HydrophobicContact CD1-CB 4.29Å; L230-L266 HydrophobicContact CD2-CD1 4.22Å; L230-D269 WeakPolarHBondContact CD1-OD2 3.27Å; L230-D269 HydrophobicContact CD2-CB 3.76Å |
| 231 | H | 88.5 | Confident | 86.8 | Confident | 70 Ų | 70 | 36.1 Ų | 36.1 | 32% | 0.324 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 173.9 | -172.2 | -141.9 | 0 | 0 | 0 | 112.3 | H145 C149 M227 D228 L233 E234 L235 | H145-H231 AromaticContact CE1-ND1 3.69Å; H145-H231 AromaticContact NE2-CG 3.53Å; H145-H231 AromaticContact NE2-ND1 3.08Å; H145-H231 PolarHBondContact NE2-ND1 3.06Å; C149-H231 PolarHBondContact SG-CE1 3.31Å; M227-H231 WeakPolarHBondContact O-CB 3.5Å; M227-H231 PolarHBondContact O-N 3.43Å; D228-H231 PolarHBondContact O-N 3.33Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.06Å; H231-E234 WeakPolarHBondContact O-CB 3.47Å; H231-E234 PolarHBondContact O-N 3.3Å; H231-E234 VanDerWaalsContact O-N 3.09Å; H231-L235 WeakPolarHBondContact CE1-CD1 3.43Å; H231-L235 WeakPolarHBondContact NE2-CD1 3.27Å; H231-L235 PolarHBondContact O-N 2.95Å; H231-L235 VanDerWaalsContact O-N 3.13Å |
| 232 | Q | 90.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -36.3 | 173.9 | -167.7 | 175.2 | -65.3 | 0 | 0 | 111.7 | D228 L229 L230 E234 A236 L240 T244 | D228-Q232 VanDerWaalsContact O-CB 3.29Å; D228-Q232 WeakPolarHBondContact O-CB 3.48Å; D228-Q232 PolarHBondContact O-N 3.26Å; L229-Q232 WeakPolarHBondContact O-CB 3.35Å; L229-Q232 PolarHBondContact O-N 2.83Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.43Å; Q232-E234 PolarHBondContact O-N 3.07Å; Q232-A236 HydrophobicContact CG-CB 4.01Å; Q232-A236 WeakPolarHBondContact O-CB 3.42Å; Q232-A236 PolarHBondContact O-N 3.49Å; Q232-L240 HydrophobicContact CG-CD1 4.5Å; Q232-L240 HydrophobicContact CG-CD2 3.92Å; Q232-L240 HydrophobicContact CG-CG 4Å; Q232-T244 HydrophobicContact CB-CG2 4.22Å; Q232-T244 HydrophobicContact CG-CG2 4.38Å; Q232-T244 PolarHBondContact NE2-OG1 3.22Å |
| 233 | L | 88.5 | Confident | 88.1 | Confident | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -26.4 | 172.5 | -74.2 | -179.7 | 0 | 0 | 0 | 113.2 | L229 L230 H231 K241 T244 L245 I248 F273 | L229-L233 PolarHBondContact O-N 3.1Å; L230-L233 WeakPolarHBondContact O-CB 3.25Å; L230-L233 PolarHBondContact O-N 3.43Å; L230-L233 VanDerWaalsContact O-N 3.16Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 3.06Å; L233-K241 WeakPolarHBondContact CD2-O 3.25Å; L233-K241 WeakPolarHBondContact O-CE 3.4Å; L233-K241 PolarHBondContact O-NZ 2.75Å; L233-T244 HydrophobicContact CD2-CG2 3.83Å; L233-T244 HydrophobicContact CG-CG2 3.86Å; L233-L245 HydrophobicContact CD2-CB 4.05Å; L233-I248 HydrophobicContact CD1-CD1 3.44Å; L233-I248 VanDerWaalsContact CD1-CD1 3.44Å; L233-I248 HydrophobicContact CG-CD1 3.91Å; L233-F273 HydrophobicContact CD2-CE2 4.37Å |
| 234 | E | 85.1 | Confident | 88.9 | Confident | 132 Ų | 132 | 29.9 Ų | 29.9 | 62% | 0.617 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -80.6 | -49.5 | 179.3 | -171.7 | 173.5 | -171.1 | 0 | 0 | 111.6 | L230 H231 Q232 K241 | L230-E234 PolarHBondContact O-N 2.85Å; H231-E234 WeakPolarHBondContact O-CB 3.47Å; H231-E234 PolarHBondContact O-N 3.3Å; H231-E234 VanDerWaalsContact O-N 3.09Å; Q232-E234 PolarHBondContact O-N 3.07Å; E234-K241 PolarHBondContact O-NZ 3.21Å |
| 235 | L | 84.6 | Confident | 89.3 | Confident | 61 Ų | 61 | 28.6 Ų | 28.6 | 32% | 0.319 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -94 | -27.1 | -168.6 | -62.6 | -177.7 | 0 | 0 | 0 | 115.5 | H231 | H231-L235 WeakPolarHBondContact CE1-CD1 3.43Å; H231-L235 WeakPolarHBondContact NE2-CD1 3.27Å; H231-L235 PolarHBondContact O-N 2.95Å; H231-L235 VanDerWaalsContact O-N 3.13Å |
| 236 | A | 87.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 32 Ų | 32 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -69.7 | 165.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E197 Q232 L240 K241 | E197-A236 WeakPolarHBondContact OE1-CA 2.91Å; Q232-A236 HydrophobicContact CG-CB 4.01Å; Q232-A236 WeakPolarHBondContact O-CB 3.42Å; Q232-A236 PolarHBondContact O-N 3.49Å; A236-L240 HydrophobicContact CB-CB 3.85Å; A236-L240 HydrophobicContact CB-CD2 3.56Å; A236-L240 HydrophobicContact CB-CG 3.65Å; A236-K241 HydrophobicContact CB-CG 4.09Å; A236-K241 WeakPolarHBondContact O-CD 3.4Å; A236-K241 WeakPolarHBondContact O-CE 3.02Å |
| 237 | D | 88.6 | Confident | 90.1 | Very high | 42 Ų | 42 | 31.9 Ų | 31.9 | 23% | 0.225 | 16% | 0.157 | C | C | . | . | trans | -60.6 | 166 | 166.1 | 89 | -17.6 | 0 | 0 | 0 | 113.4 | R108 E197 E239 L240 K241 | R108-D237 IonicContact CZ-OD2 3.83Å; R108-D237 IonicContact NH1-OD2 2.92Å; R108-D237 IonicContact NH2-OD2 3.89Å; R108-D237 PolarHBondContact NH2-OD2 2.66Å; E197-D237 PolarHBondContact OE1-N 3.15Å; E197-D237 WeakPolarHBondContact OE2-CB 3.3Å; D237-E239 PolarHBondContact O-N 2.74Å; D237-E239 PolarHBondContact OD1-N 3.19Å; D237-L240 PolarHBondContact O-N 3.43Å; D237-L240 WeakPolarHBondContact OD1-CB 3.5Å; D237-L240 PolarHBondContact OD1-N 2.8Å; D237-K241 WeakPolarHBondContact O-CB 3.32Å; D237-K241 VanDerWaalsContact O-CG 3.28Å; D237-K241 WeakPolarHBondContact O-CG 3.3Å; D237-K241 PolarHBondContact O-N 3.41Å | ||
| 238 | V | 88.8 | Confident | 90.3 | Very high | 86 Ų | 86 | 29 Ų | 29 | 52% | 0.521 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.7 | -40 | -177.4 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L242 F288 | V238-L242 PolarHBondContact O-N 2.91Å; V238-L242 VanDerWaalsContact O-N 3.16Å; V238-F288 HydrophobicContact CG1-CE2 3.68Å; V238-F288 HydrophobicContact CG1-CZ 3.78Å; V238-F288 WeakPolarHBondContact O-CZ 3.36Å |
| 239 | E | 88.9 | Confident | 90.2 | Very high | 44 Ų | 44 | 28 Ų | 28 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.6 | -44.6 | -175.2 | -171.9 | -177.5 | -132.5 | 0 | 0 | 112.5 | R108 R111 D237 K241 L242 Q243 | R108-E239 IonicContact CZ-OE2 3.28Å; R108-E239 VanDerWaalsContact NE-CD 3.32Å; R108-E239 IonicContact NE-OE1 2.83Å; R108-E239 PolarHBondContact NE-OE1 2.75Å; R108-E239 IonicContact NE-OE2 3.83Å; R108-E239 PolarHBondContact NE-OE2 2.69Å; R108-E239 IonicContact NH2-OE1 3.79Å; R108-E239 IonicContact NH2-OE2 3.43Å; R108-E239 PolarHBondContact NH2-OE2 3.36Å; R111-E239 VanDerWaalsContact CZ-CD 3.49Å; R111-E239 IonicContact CZ-OE1 3.57Å; R111-E239 VanDerWaalsContact CZ-OE1 3.24Å; R111-E239 IonicContact CZ-OE2 3.71Å; R111-E239 IonicContact NH1-OE1 2.66Å; R111-E239 PolarHBondContact NH1-OE1 3.05Å; R111-E239 IonicContact NH1-OE2 3.97Å; R111-E239 PolarHBondContact NH1-OE2 2.91Å; R111-E239 IonicContact NH2-OE1 2.6Å; R111-E239 PolarHBondContact NH2-OE1 2.91Å; R111-E239 IonicContact NH2-OE2 3.18Å; D237-E239 PolarHBondContact O-N 2.74Å; D237-E239 PolarHBondContact OD1-N 3.19Å; E239-K241 VanDerWaalsContact C-N 3.33Å; E239-L242 WeakPolarHBondContact O-CB 3.39Å; E239-L242 PolarHBondContact O-N 2.96Å; E239-L242 VanDerWaalsContact O-N 3.15Å; E239-Q243 WeakPolarHBondContact O-CG 3.25Å; E239-Q243 PolarHBondContact O-N 3.23Å |
| 240 | L | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 176 | 177.8 | 58.1 | 0 | 0 | 0 | 109.9 | E197 Q200 Q232 A236 D237 L242 Q243 T244 | E197-L240 HydrophobicContact CB-CD2 3.87Å; E197-L240 HydrophobicContact CG-CD2 3.85Å; Q200-L240 HydrophobicContact CB-CD1 3.73Å; Q200-L240 HydrophobicContact CB-CD2 3.93Å; Q200-L240 VanDerWaalsContact OE1-CD2 3.28Å; Q232-L240 HydrophobicContact CG-CD1 4.5Å; Q232-L240 HydrophobicContact CG-CD2 3.92Å; Q232-L240 HydrophobicContact CG-CG 4Å; A236-L240 HydrophobicContact CB-CB 3.85Å; A236-L240 HydrophobicContact CB-CD2 3.56Å; A236-L240 HydrophobicContact CB-CG 3.65Å; D237-L240 PolarHBondContact O-N 3.43Å; D237-L240 WeakPolarHBondContact OD1-CB 3.5Å; D237-L240 PolarHBondContact OD1-N 2.8Å; L240-L242 PolarHBondContact O-N 3.32Å; L240-Q243 PolarHBondContact O-N 2.99Å; L240-T244 WeakPolarHBondContact O-CB 3.4Å; L240-T244 PolarHBondContact O-N 3.16Å; L240-T244 PolarHBondContact O-OG1 3.45Å |
| 241 | K | 92.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 9% | 0.087 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -51.8 | -44.7 | 171.5 | -75.7 | 177.5 | -174.4 | -113.1 | 0 | 111.8 | L233 E234 A236 D237 E239 T244 L245 F273 W276 F288 | L233-K241 WeakPolarHBondContact CD2-O 3.25Å; L233-K241 WeakPolarHBondContact O-CE 3.4Å; L233-K241 PolarHBondContact O-NZ 2.75Å; E234-K241 PolarHBondContact O-NZ 3.21Å; A236-K241 HydrophobicContact CB-CG 4.09Å; A236-K241 WeakPolarHBondContact O-CD 3.4Å; A236-K241 WeakPolarHBondContact O-CE 3.02Å; D237-K241 WeakPolarHBondContact O-CB 3.32Å; D237-K241 VanDerWaalsContact O-CG 3.28Å; D237-K241 WeakPolarHBondContact O-CG 3.3Å; D237-K241 PolarHBondContact O-N 3.41Å; E239-K241 VanDerWaalsContact C-N 3.33Å; K241-T244 PolarHBondContact O-N 3.31Å; K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 3.39Å; K241-F273 HydrophobicContact CD-CE2 4.39Å; K241-W276 HydrophobicContact CD-CH2 4.44Å; K241-F288 HydrophobicContact CB-CE1 3.82Å; K241-F288 HydrophobicContact CB-CZ 4.15Å |
| 242 | L | 92.3 | Very high | 89.5 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | -179.6 | -179.4 | 62.2 | 0 | 0 | 0 | 112.2 | V238 E239 L240 L245 R246 E287 F288 M291 | V238-L242 PolarHBondContact O-N 2.91Å; V238-L242 VanDerWaalsContact O-N 3.16Å; E239-L242 WeakPolarHBondContact O-CB 3.39Å; E239-L242 PolarHBondContact O-N 2.96Å; E239-L242 VanDerWaalsContact O-N 3.15Å; L240-L242 PolarHBondContact O-N 3.32Å; L242-L245 PolarHBondContact O-N 3.25Å; L242-R246 WeakPolarHBondContact O-CG 3.38Å; L242-R246 PolarHBondContact O-N 2.97Å; L242-E287 HydrophobicContact CD1-CB 4.13Å; L242-E287 HydrophobicContact CD1-CG 4.08Å; L242-F288 HydrophobicContact CB-CD1 4.38Å; L242-F288 HydrophobicContact CB-CE1 3.7Å; L242-F288 HydrophobicContact CB-CZ 3.8Å; L242-F288 HydrophobicContact CD1-CD1 3.99Å; L242-F288 HydrophobicContact CD1-CE1 4.16Å; L242-F288 HydrophobicContact CD1-CG 4.29Å; L242-M291 HydrophobicContact CD1-CG 4.44Å |
| 243 | Q | 94.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.8 | -35.3 | 178.7 | -56.3 | -44.2 | -45.3 | 0 | 0 | 112.2 | S201 C204 M205 E239 L240 R246 L247 | S201-Q243 WeakPolarHBondContact OG-CG 3.44Å; C204-Q243 HydrophobicContact CB-CB 3.64Å; M205-Q243 HydrophobicContact CG-CB 4.4Å; M205-Q243 HydrophobicContact CG-CG 3.78Å; M205-Q243 VanDerWaalsContact CG-OE1 3.28Å; M205-Q243 HydrophobicContact SD-CG 4.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.25Å; E239-Q243 PolarHBondContact O-N 3.23Å; L240-Q243 PolarHBondContact O-N 2.99Å; Q243-R246 PolarHBondContact O-N 2.7Å; Q243-L247 WeakPolarHBondContact O-CB 2.85Å; Q243-L247 PolarHBondContact O-N 3.32Å |
| 244 | T | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 172.4 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | L229 Q232 L233 L240 K241 R246 L247 I248 | L229-T244 HydrophobicContact CB-CG2 4.28Å; L229-T244 HydrophobicContact CD2-CG2 4.07Å; L229-T244 VanDerWaalsContact O-CG2 3.31Å; L229-T244 WeakPolarHBondContact O-CG2 3.46Å; Q232-T244 HydrophobicContact CB-CG2 4.22Å; Q232-T244 HydrophobicContact CG-CG2 4.38Å; Q232-T244 PolarHBondContact NE2-OG1 3.22Å; L233-T244 HydrophobicContact CD2-CG2 3.83Å; L233-T244 HydrophobicContact CG-CG2 3.86Å; L240-T244 WeakPolarHBondContact O-CB 3.4Å; L240-T244 PolarHBondContact O-N 3.16Å; L240-T244 PolarHBondContact O-OG1 3.45Å; K241-T244 PolarHBondContact O-N 3.31Å; T244-R246 PolarHBondContact O-N 3.49Å; T244-L247 WeakPolarHBondContact O-CB 3.21Å; T244-L247 PolarHBondContact O-N 3.38Å; T244-I248 HydrophobicContact CG2-CD1 4.03Å; T244-I248 WeakPolarHBondContact O-CG1 3.31Å; T244-I248 PolarHBondContact O-N 3.42Å |
| 245 | L | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.4 | -175.9 | 62 | 0 | 0 | 0 | 111.6 | L233 K241 L242 L247 I248 V249 F273 F288 M291 L292 L295 | L233-L245 HydrophobicContact CD2-CB 4.05Å; K241-L245 WeakPolarHBondContact O-CB 3.28Å; K241-L245 PolarHBondContact O-N 3.39Å; L242-L245 PolarHBondContact O-N 3.25Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 3Å; L245-I248 PolarHBondContact O-N 3.2Å; L245-V249 VanDerWaalsContact O-CG2 3.29Å; L245-V249 WeakPolarHBondContact O-CG2 3.3Å; L245-V249 PolarHBondContact O-N 3.47Å; L245-F273 HydrophobicContact CD2-CD1 4.4Å; L245-F273 HydrophobicContact CD2-CE1 3.76Å; L245-F273 HydrophobicContact CD2-CZ 4.42Å; L245-F288 HydrophobicContact CD2-CD1 4.06Å; L245-M291 HydrophobicContact CD2-CB 3.53Å; L245-M291 HydrophobicContact CG-CB 3.79Å; L245-L292 HydrophobicContact CD2-CB 4.39Å; L245-L295 HydrophobicContact CD1-CD2 3.87Å |
| 246 | R | 93.8 | Very high | 86.9 | Confident | 77 Ų | 77 | 30.9 Ų | 30.9 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59 | -41.6 | 173.8 | -74.6 | 166.7 | 168.1 | -162.8 | -3.7 | 111.8 | V208 L242 Q243 T244 K250 E287 M291 | V208-R246 HydrophobicContact CG2-CB 4.01Å; L242-R246 WeakPolarHBondContact O-CG 3.38Å; L242-R246 PolarHBondContact O-N 2.97Å; Q243-R246 PolarHBondContact O-N 2.7Å; T244-R246 PolarHBondContact O-N 3.49Å; R246-K250 PolarHBondContact O-N 2.99Å; R246-K250 VanDerWaalsContact O-N 3.07Å; R246-E287 IonicContact CZ-OE1 2.74Å; R246-E287 IonicContact NE-OE1 3.94Å; R246-E287 PolarHBondContact NE-OE1 3.41Å; R246-E287 IonicContact NH2-OE1 2.63Å; R246-E287 PolarHBondContact NH2-OE1 2.82Å; R246-E287 IonicContact NH2-OE2 3.72Å; R246-M291 HydrophobicContact CG-CG 4.05Å; R246-M291 HydrophobicContact CG-SD 3.85Å |
| 247 | L | 92.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.3 | 179.8 | 57.3 | 0 | 0 | 0 | 111.4 | L141 L207 V208 F225 L229 Q243 T244 L245 V249 K250 L251 | L141-L247 HydrophobicContact CD2-CD2 4.16Å; L207-L247 HydrophobicContact CB-CD1 3.65Å; L207-L247 HydrophobicContact CB-CD2 4.12Å; L207-L247 HydrophobicContact CD1-CD2 3.87Å; V208-L247 HydrophobicContact CG2-CB 3.85Å; V208-L247 HydrophobicContact CG2-CD1 4.25Å; F225-L247 HydrophobicContact CZ-CD2 4.24Å; L229-L247 HydrophobicContact CD1-CD2 4.3Å; L229-L247 HydrophobicContact CD2-CD2 3.94Å; Q243-L247 WeakPolarHBondContact O-CB 2.85Å; Q243-L247 PolarHBondContact O-N 3.32Å; T244-L247 WeakPolarHBondContact O-CB 3.21Å; T244-L247 PolarHBondContact O-N 3.38Å; L245-L247 VanDerWaalsContact C-N 3.3Å; L245-L247 PolarHBondContact O-N 3Å; L247-V249 PolarHBondContact O-N 3.26Å; L247-K250 WeakPolarHBondContact O-CB 3.41Å; L247-K250 PolarHBondContact O-N 3.29Å; L247-L251 HydrophobicContact CD1-CD1 4.25Å; L247-L251 HydrophobicContact CD1-CG 4.17Å; L247-L251 HydrophobicContact CG-CD1 4.06Å; L247-L251 HydrophobicContact CG-CG 4.42Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 3Å |
| 248 | I | 89.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 176.8 | -73.4 | 167.9 | 0 | 0 | 0 | 111 | W226 L229 L230 L233 T244 L245 K250 L251 V252 L266 L295 | W226-I248 HydrophobicContact CH2-CB 4.35Å; W226-I248 HydrophobicContact CH2-CG1 4.27Å; W226-I248 HydrophobicContact CH2-CG2 3.92Å; W226-I248 HydrophobicContact CZ3-CB 4.26Å; W226-I248 HydrophobicContact CZ3-CD1 4.45Å; W226-I248 HydrophobicContact CZ3-CG1 3.82Å; W226-I248 HydrophobicContact CZ3-CG2 3.81Å; L229-I248 HydrophobicContact CB-CD1 4.21Å; L229-I248 HydrophobicContact CB-CG1 4.31Å; L229-I248 HydrophobicContact CD1-CG1 4.21Å; L230-I248 HydrophobicContact CD2-CD1 4.38Å; L233-I248 HydrophobicContact CD1-CD1 3.44Å; L233-I248 VanDerWaalsContact CD1-CD1 3.44Å; L233-I248 HydrophobicContact CG-CD1 3.91Å; T244-I248 HydrophobicContact CG2-CD1 4.03Å; T244-I248 WeakPolarHBondContact O-CG1 3.31Å; T244-I248 PolarHBondContact O-N 3.42Å; L245-I248 PolarHBondContact O-N 3.2Å; I248-K250 VanDerWaalsContact C-N 3.33Å; I248-K250 PolarHBondContact O-N 3.17Å; I248-L251 PolarHBondContact O-N 3.43Å; I248-L251 VanDerWaalsContact O-N 3.16Å; I248-V252 HydrophobicContact CG2-CG2 4.47Å; I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 3.08Å; I248-L266 HydrophobicContact CG2-CD1 4.32Å; I248-L295 HydrophobicContact CG2-CD1 3.81Å; I248-L295 HydrophobicContact CG2-CD2 3.79Å; I248-L295 HydrophobicContact CG2-CG 4.48Å |
| 249 | V | 89.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56 | -48.8 | 176.7 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | L245 L247 L251 V252 E253 M291 R294 L295 | L245-V249 VanDerWaalsContact O-CG2 3.29Å; L245-V249 WeakPolarHBondContact O-CG2 3.3Å; L245-V249 PolarHBondContact O-N 3.47Å; L247-V249 PolarHBondContact O-N 3.26Å; V249-L251 VanDerWaalsContact C-N 3.33Å; V249-L251 PolarHBondContact O-N 2.97Å; V249-V252 PolarHBondContact O-N 3.3Å; V249-E253 HydrophobicContact CG1-CG 4.29Å; V249-E253 WeakPolarHBondContact CG1-OE1 3.32Å; V249-E253 WeakPolarHBondContact O-CB 2.9Å; V249-E253 VanDerWaalsContact O-CG 3.31Å; V249-E253 WeakPolarHBondContact O-CG 3.48Å; V249-E253 PolarHBondContact O-N 3.26Å; V249-M291 WeakPolarHBondContact CG2-O 3.42Å; V249-R294 HydrophobicContact CG1-CB 4.18Å; V249-L295 HydrophobicContact CG2-CB 3.86Å; V249-L295 HydrophobicContact CG2-CD1 4.42Å |
| 250 | K | 87.2 | Confident | 79.9 | Confident | 53 Ų | 53 | 29.4 Ų | 29.4 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.9 | 178 | -177.4 | 178.3 | -179.4 | 0 | 112.3 | L207 V208 C210 R246 L247 I248 E253 S254 | L207-K250 PolarHBondContact O-NZ 3.28Å; V208-K250 WeakPolarHBondContact O-CD 3.47Å; V208-K250 VanDerWaalsContact O-CE 3.3Å; V208-K250 WeakPolarHBondContact O-CE 3.41Å; V208-K250 PolarHBondContact O-NZ 3.48Å; C210-K250 WeakPolarHBondContact O-CE 3.3Å; C210-K250 PolarHBondContact O-NZ 2.73Å; R246-K250 PolarHBondContact O-N 2.99Å; R246-K250 VanDerWaalsContact O-N 3.07Å; L247-K250 WeakPolarHBondContact O-CB 3.41Å; L247-K250 PolarHBondContact O-N 3.29Å; I248-K250 VanDerWaalsContact C-N 3.33Å; I248-K250 PolarHBondContact O-N 3.17Å; K250-E253 PolarHBondContact O-N 2.93Å; K250-S254 WeakPolarHBondContact O-CB 3.33Å; K250-S254 PolarHBondContact O-N 3.25Å |
| 251 | L | 84.6 | Confident | 78.1 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 179.8 | -69 | 171.9 | 0 | 0 | 0 | 110.5 | F212 F225 W226 L229 L247 I248 V249 E253 S254 F257 | F212-L251 HydrophobicContact CB-CD2 4.22Å; F212-L251 HydrophobicContact CD1-CD2 4.04Å; F212-L251 HydrophobicContact CD2-CD2 3.76Å; F212-L251 HydrophobicContact CE1-CD2 4.35Å; F212-L251 HydrophobicContact CE2-CD2 4.09Å; F212-L251 HydrophobicContact CG-CD2 3.72Å; F212-L251 HydrophobicContact CZ-CD2 4.38Å; F225-L251 HydrophobicContact CE1-CD1 3.9Å; W226-L251 HydrophobicContact CH2-CB 4.16Å; W226-L251 HydrophobicContact CH2-CD1 4.4Å; W226-L251 HydrophobicContact CZ2-CB 3.83Å; W226-L251 HydrophobicContact CZ2-CD1 4.09Å; L229-L251 HydrophobicContact CD1-CD1 3.8Å; L247-L251 HydrophobicContact CD1-CD1 4.25Å; L247-L251 HydrophobicContact CD1-CG 4.17Å; L247-L251 HydrophobicContact CG-CD1 4.06Å; L247-L251 HydrophobicContact CG-CG 4.42Å; L247-L251 VanDerWaalsContact O-CG 3.29Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 3Å; I248-L251 PolarHBondContact O-N 3.43Å; I248-L251 VanDerWaalsContact O-N 3.16Å; V249-L251 VanDerWaalsContact C-N 3.33Å; V249-L251 PolarHBondContact O-N 2.97Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 PolarHBondContact O-N 3.45Å; L251-S254 WeakPolarHBondContact O-CB 3.45Å; L251-S254 PolarHBondContact O-N 3.42Å; L251-F257 HydrophobicContact CB-CD2 4.31Å; L251-F257 HydrophobicContact CB-CE2 4.38Å; L251-F257 WeakPolarHBondContact O-CB 3.27Å; L251-F257 WeakPolarHBondContact O-CD2 2.86Å; L251-F257 VanDerWaalsContact O-CG 3.24Å; L251-F257 WeakPolarHBondContact O-CG 3.26Å |
| 252 | V | 80.8 | Confident | 76.4 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.9 | -35.8 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | W226 I248 V249 S254 L266 L295 | W226-V252 HydrophobicContact CH2-CG2 3.91Å; W226-V252 HydrophobicContact CZ2-CG2 4.45Å; I248-V252 HydrophobicContact CG2-CG2 4.47Å; I248-V252 WeakPolarHBondContact O-CG2 3.35Å; I248-V252 PolarHBondContact O-N 3.08Å; V249-V252 PolarHBondContact O-N 3.3Å; V252-S254 VanDerWaalsContact C-N 3.32Å; V252-L266 HydrophobicContact CG2-CD2 4.05Å; V252-L295 HydrophobicContact CB-CD1 4.15Å; V252-L295 HydrophobicContact CG1-CD1 4.37Å; V252-L295 HydrophobicContact CG2-CD1 3.82Å |
| 253 | E | 82 | Confident | 75.2 | Confident | 49 Ų | 49 | 33.1 Ų | 33.1 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.5 | -18.1 | 178.1 | -74.3 | 178.2 | 176.5 | 0 | 0 | 113.4 | V249 K250 L251 R294 S298 R302 | V249-E253 HydrophobicContact CG1-CG 4.29Å; V249-E253 WeakPolarHBondContact CG1-OE1 3.32Å; V249-E253 WeakPolarHBondContact O-CB 2.9Å; V249-E253 VanDerWaalsContact O-CG 3.31Å; V249-E253 WeakPolarHBondContact O-CG 3.48Å; V249-E253 PolarHBondContact O-N 3.26Å; K250-E253 PolarHBondContact O-N 2.93Å; L251-E253 VanDerWaalsContact C-N 3.33Å; L251-E253 PolarHBondContact O-N 3.45Å; E253-R294 IonicContact OE1-CZ 2.65Å; E253-R294 IonicContact OE1-NE 2.68Å; E253-R294 PolarHBondContact OE1-NE 2.94Å; E253-R294 IonicContact OE1-NH2 3.95Å; E253-R294 PolarHBondContact OE1-NH2 3.03Å; E253-R294 IonicContact OE2-NH2 3.24Å; E253-R294 PolarHBondContact OE2-NH2 3.49Å; E253-S298 WeakPolarHBondContact CG-OG 3.41Å; E253-R302 PolarHBondContact O-NH1 3.01Å |
| 254 | S | 78.3 | Confident | 74 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 22% | 0.224 | 19% | 0.186 | C | C | . | . | trans | -72.8 | 135.6 | -174.7 | -178 | 0 | 0 | 0 | 0 | 112.5 | K250 L251 V252 N256 F257 | K250-S254 WeakPolarHBondContact O-CB 3.33Å; K250-S254 PolarHBondContact O-N 3.25Å; L251-S254 WeakPolarHBondContact O-CB 3.45Å; L251-S254 PolarHBondContact O-N 3.42Å; V252-S254 VanDerWaalsContact C-N 3.32Å; S254-N256 PolarHBondContact O-N 3.45Å; S254-N256 PolarHBondContact OG-N 3.36Å; S254-F257 WeakPolarHBondContact O-CB 3.27Å; S254-F257 PolarHBondContact O-N 3.13Å | ||
| 255 | P | 70.6 | Confident | 73.1 | Confident | 125 Ų | 125 | 36.9 Ų | 36.9 | 81% | 0.812 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24 | 175.6 | 29.1 | -35.6 | 0 | 0 | 0 | 112.9 | F257 | P255-F257 PolarHBondContact O-N 3.03Š|
| 256 | N | 62.2 | Low | 72.3 | Confident | 73 Ų | 73 | 37.3 Ų | 37.3 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6.3 | 179 | -66.8 | -12.8 | 0 | 0 | 0 | 112.4 | H214 S254 S258 | H214-N256 HydrophobicContact CB-CB 4.48Å; H214-N256 PolarHBondContact ND1-O 3.3Å; S254-N256 PolarHBondContact O-N 3.45Å; S254-N256 PolarHBondContact OG-N 3.36Å; N256-S258 PolarHBondContact O-N 3.48Å |
| 257 | F | 56.9 | Low | 71.8 | Confident | 44 Ų | 44 | 33.8 Ų | 33.8 | 19% | 0.193 | 19% | 0.19 | C | C | . | . | trans | -72 | 111.1 | -179.4 | -165.4 | -108.1 | 0 | 0 | 0 | 110.5 | W226 L251 S254 P255 S259 | W226-F257 AromaticContact CE2-CE2 3.46Å; W226-F257 VanDerWaalsContact CE2-CE2 3.46Å; W226-F257 AromaticContact CE2-CZ 3.42Å; W226-F257 VanDerWaalsContact CE2-CZ 3.42Å; W226-F257 HydrophobicContact CH2-CZ 4.33Å; W226-F257 HydrophobicContact CZ2-CD2 4.32Å; W226-F257 HydrophobicContact CZ2-CE1 4.33Å; W226-F257 AromaticContact CZ2-CE2 3.24Å; W226-F257 HydrophobicContact CZ2-CE2 3.24Å; W226-F257 AromaticContact CZ2-CZ 3.23Å; W226-F257 HydrophobicContact CZ2-CZ 3.23Å; W226-F257 AromaticContact NE1-CE2 3.17Å; W226-F257 AromaticContact NE1-CZ 3.29Å; W226-F257 VanDerWaalsContact NE1-CZ 3.29Å; L251-F257 HydrophobicContact CB-CD2 4.31Å; L251-F257 HydrophobicContact CB-CE2 4.38Å; L251-F257 WeakPolarHBondContact O-CB 3.27Å; L251-F257 WeakPolarHBondContact O-CD2 2.86Å; L251-F257 VanDerWaalsContact O-CG 3.24Å; L251-F257 WeakPolarHBondContact O-CG 3.26Å; S254-F257 WeakPolarHBondContact O-CB 3.27Å; S254-F257 PolarHBondContact O-N 3.13Å; P255-F257 PolarHBondContact O-N 3.03Å; F257-S259 PolarHBondContact O-N 3.08Å | ||
| 258 | S | 52.9 | Low | 71.4 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 12% | 0.119 | 20% | 0.195 | C | C | . | . | trans | -70.3 | 105.5 | 172.3 | 66.3 | 0 | 0 | 0 | 0 | 108.6 | N256 S260 | N256-S258 PolarHBondContact O-N 3.48Å; S258-S260 PolarHBondContact O-N 3.06Å | ||
| 259 | S | 48 | Very low | 71.2 | Confident | 42 Ų | 42 | 36.6 Ų | 36.6 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | trans | -65.2 | -5.8 | -173.3 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | F257 F261 V306 | F257-S259 PolarHBondContact O-N 3.08Å; S259-F261 PolarHBondContact O-N 3.37Å; S259-V306 VanDerWaalsContact CB-CG1 3.44Å; S259-V306 VanDerWaalsContact CB-CG2 3.43Å; S259-V306 WeakPolarHBondContact O-CG1 3.39Å; S259-V306 WeakPolarHBondContact OG-CG1 3.37Å; S259-V306 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 260 | S | 48.8 | Very low | 71 | Confident | 44 Ų | 44 | 36.7 Ų | 36.7 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | trans | -73.7 | 24.2 | -177.9 | 58.5 | 0 | 0 | 0 | 0 | 115.1 | R217 S258 | R217-S260 WeakPolarHBondContact CB-OG 3.32Å; S258-S260 PolarHBondContact O-N 3.06Å | ||
| 261 | F | 55.9 | Low | 71.2 | Confident | 26 Ų | 26 | 34.2 Ų | 34.2 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -72.6 | 150.9 | 168.4 | -176 | -106.1 | 0 | 0 | 0 | 108.9 | F223 W226 M227 L230 S259 G263 F265 L266 | F223-F261 HydrophobicContact CD2-CD2 4.37Å; F223-F261 AromaticContact CD2-CE2 3.93Å; F223-F261 HydrophobicContact CD2-CE2 3.93Å; F223-F261 HydrophobicContact CE2-CE2 4.12Å; W226-F261 HydrophobicContact CB-CD2 4.27Å; W226-F261 HydrophobicContact CB-CE2 3.64Å; W226-F261 HydrophobicContact CB-CZ 4.03Å; W226-F261 HydrophobicContact CG-CD2 4.21Å; W226-F261 HydrophobicContact CG-CE2 4.03Å; W226-F261 HydrophobicContact CG-CZ 4.44Å; M227-F261 HydrophobicContact SD-CZ 4.33Å; L230-F261 HydrophobicContact CD1-CE1 4.44Å; L230-F261 HydrophobicContact CD1-CZ 4.13Å; S259-F261 PolarHBondContact O-N 3.37Å; F261-G263 PolarHBondContact O-N 3.44Å; F261-F265 HydrophobicContact CE1-CB 3.84Å; F261-F265 HydrophobicContact CE1-CD2 4.34Å; F261-F265 HydrophobicContact CZ-CB 3.95Å; F261-F265 HydrophobicContact CZ-CD2 4.08Å; F261-F265 HydrophobicContact CZ-CG 4.41Å; F261-L266 HydrophobicContact CE1-CB 4.32Å |
| 262 | D | 56.6 | Low | 71.4 | Confident | 88 Ų | 88 | 36 Ų | 36 | 47% | 0.471 | 21% | 0.211 | S | C | . | . | trans | -68.3 | 84.2 | 170.9 | -169.5 | -6.5 | 0 | 0 | 0 | 107.3 | S264 F265 | D262-S264 PolarHBondContact O-N 2.86Å; D262-S264 WeakPolarHBondContact OD1-CB 3.5Å; D262-S264 PolarHBondContact OD1-OG 3.3Å; D262-S264 PolarHBondContact OD2-OG 2.79Å; D262-F265 HydrophobicContact CB-CD2 3.76Å; D262-F265 HydrophobicContact CB-CE2 3.81Å; D262-F265 PolarHBondContact O-N 3.43Å; D262-F265 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 263 | G | 66.2 | Low | 71.8 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.6 | -14.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | F261 L266 I267 | F261-G263 PolarHBondContact O-N 3.44Å; G263-L266 PolarHBondContact O-N 2.93Å; G263-I267 WeakPolarHBondContact O-CD1 3.48Å; G263-I267 VanDerWaalsContact O-CG1 3.22Å; G263-I267 WeakPolarHBondContact O-CG1 3.35Å; G263-I267 PolarHBondContact O-N 3.18Å |
| 264 | S | 70 | Confident | 72.2 | Confident | 16 Ų | 16 | 34 Ų | 34 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56 | -46.7 | 170 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | D262 L266 I267 D268 | D262-S264 PolarHBondContact O-N 2.86Å; D262-S264 WeakPolarHBondContact OD1-CB 3.5Å; D262-S264 PolarHBondContact OD1-OG 3.3Å; D262-S264 PolarHBondContact OD2-OG 2.79Å; S264-L266 PolarHBondContact O-N 3.3Å; S264-I267 WeakPolarHBondContact O-CB 3.23Å; S264-I267 PolarHBondContact O-N 3.34Å; S264-D268 VanDerWaalsContact O-CG 3.3Å; S264-D268 PolarHBondContact O-N 3.24Å |
| 265 | F | 74.7 | Confident | 72.8 | Confident | 70 Ų | 70 | 34.3 Ų | 34.3 | 31% | 0.307 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 179 | -64.3 | -73.5 | 0 | 0 | 0 | 110.9 | M227 L230 F261 D262 I267 D268 D269 | M227-F265 HydrophobicContact CE-CD1 4.41Å; M227-F265 HydrophobicContact SD-CG 4.43Å; L230-F265 HydrophobicContact CD1-CB 4.29Å; F261-F265 HydrophobicContact CE1-CB 3.84Å; F261-F265 HydrophobicContact CE1-CD2 4.34Å; F261-F265 HydrophobicContact CZ-CB 3.95Å; F261-F265 HydrophobicContact CZ-CD2 4.08Å; F261-F265 HydrophobicContact CZ-CG 4.41Å; D262-F265 HydrophobicContact CB-CD2 3.76Å; D262-F265 HydrophobicContact CB-CE2 3.81Å; D262-F265 PolarHBondContact O-N 3.43Å; D262-F265 WeakPolarHBondContact OD2-CE2 3.43Å; F265-I267 VanDerWaalsContact C-N 3.29Å; F265-I267 PolarHBondContact O-N 2.92Å; F265-D268 WeakPolarHBondContact O-CB 3.43Å; F265-D268 PolarHBondContact O-N 2.83Å; F265-D269 PolarHBondContact O-N 3.38Å |
| 266 | L | 78.2 | Confident | 73.7 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 178.5 | -178.8 | 64.1 | 0 | 0 | 0 | 111.5 | W226 L230 I248 V252 F261 G263 S264 D268 C270 L295 I307 | W226-L266 HydrophobicContact CZ3-CD1 4.3Å; L230-L266 HydrophobicContact CD2-CD1 4.22Å; I248-L266 HydrophobicContact CG2-CD1 4.32Å; V252-L266 HydrophobicContact CG2-CD2 4.05Å; F261-L266 HydrophobicContact CE1-CB 4.32Å; G263-L266 PolarHBondContact O-N 2.93Å; S264-L266 PolarHBondContact O-N 3.3Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.27Å; L266-C270 VanDerWaalsContact O-CB 3.27Å; L266-C270 WeakPolarHBondContact O-CB 3.42Å; L266-C270 PolarHBondContact O-N 3.21Å; L266-C270 PolarHBondContact O-SG 2.99Å; L266-L295 HydrophobicContact CD1-CD2 4.49Å; L266-I307 HydrophobicContact CD2-CD1 4.35Å |
| 267 | I | 82.4 | Confident | 75 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 174.7 | -70.5 | 162.1 | 0 | 0 | 0 | 110.2 | G263 S264 F265 C270 L271 I307 F308 V319 F346 F350 | G263-I267 WeakPolarHBondContact O-CD1 3.48Å; G263-I267 VanDerWaalsContact O-CG1 3.22Å; G263-I267 WeakPolarHBondContact O-CG1 3.35Å; G263-I267 PolarHBondContact O-N 3.18Å; S264-I267 WeakPolarHBondContact O-CB 3.23Å; S264-I267 PolarHBondContact O-N 3.34Å; F265-I267 VanDerWaalsContact C-N 3.29Å; F265-I267 PolarHBondContact O-N 2.92Å; I267-C270 PolarHBondContact O-N 2.76Å; I267-L271 HydrophobicContact CG2-CD1 4.08Å; I267-L271 WeakPolarHBondContact O-CG 3.39Å; I267-L271 PolarHBondContact O-N 3.37Å; I267-L271 VanDerWaalsContact O-N 3.08Å; I267-I307 HydrophobicContact CD1-CG2 3.5Å; I267-I307 HydrophobicContact CG1-CG2 3.89Å; I267-F308 HydrophobicContact CD1-CE1 4.4Å; I267-V319 HydrophobicContact CG2-CB 4.43Å; I267-V319 HydrophobicContact CG2-CG1 3.69Å; I267-V319 HydrophobicContact CG2-CG2 3.81Å; I267-F346 HydrophobicContact CB-CZ 4.43Å; I267-F346 HydrophobicContact CG1-CZ 3.96Å; I267-F346 HydrophobicContact CG2-CE1 4.15Å; I267-F346 HydrophobicContact CG2-CZ 4.17Å; I267-F350 HydrophobicContact CD1-CE1 4.16Å; I267-F350 HydrophobicContact CD1-CZ 4.32Å; I267-F350 HydrophobicContact CG1-CZ 4.46Å; I267-F350 HydrophobicContact CG2-CE1 4.45Å; I267-F350 HydrophobicContact CG2-CZ 3.85Å |
| 268 | D | 84.2 | Confident | 76.4 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | -175.6 | -71.1 | -49.9 | 0 | 0 | 0 | 113.1 | S264 F265 L266 L271 A272 R315 R322 | S264-D268 VanDerWaalsContact O-CG 3.3Å; S264-D268 PolarHBondContact O-N 3.24Å; F265-D268 WeakPolarHBondContact O-CB 3.43Å; F265-D268 PolarHBondContact O-N 2.83Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.27Å; D268-L271 PolarHBondContact O-N 3.19Å; D268-A272 WeakPolarHBondContact O-CB 3.34Å; D268-A272 PolarHBondContact O-N 3.25Å; D268-R315 IonicContact OD1-CZ 3.51Å; D268-R315 IonicContact OD1-NE 3.9Å; D268-R315 IonicContact OD1-NH2 2.77Å; D268-R315 PolarHBondContact OD1-NH2 3.49Å; D268-R315 IonicContact OD2-CZ 2.98Å; D268-R315 IonicContact OD2-NE 3.28Å; D268-R315 IonicContact OD2-NH2 2.75Å; D268-R315 PolarHBondContact OD2-NH2 3.11Å; D268-R322 VanDerWaalsContact CG-NH1 3.34Å; D268-R322 PolarHBondContact O-NH1 2.9Å; D268-R322 PolarHBondContact O-NH2 2.94Å; D268-R322 IonicContact OD1-CZ 3.03Å; D268-R322 IonicContact OD1-NH1 3.53Å; D268-R322 PolarHBondContact OD1-NH1 2.84Å |
| 269 | D | 85 | Confident | 78 | Confident | 40 Ų | 40 | 30.4 Ų | 30.4 | 21% | 0.214 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | 178.8 | -70.5 | -59.9 | 0 | 0 | 0 | 111.3 | L230 F265 L271 A272 F273 | L230-D269 WeakPolarHBondContact CD1-OD2 3.27Å; L230-D269 HydrophobicContact CD2-CB 3.76Å; F265-D269 PolarHBondContact O-N 3.38Å; D269-L271 VanDerWaalsContact C-N 3.3Å; D269-L271 PolarHBondContact O-N 3.16Å; D269-A272 PolarHBondContact O-N 3.34Å; D269-F273 VanDerWaalsContact O-CB 3.31Å; D269-F273 WeakPolarHBondContact O-CB 3.08Å; D269-F273 PolarHBondContact O-N 3.46Å |
| 270 | C | 86.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 173.5 | -73.5 | 0 | 0 | 0 | 0 | 111.4 | L266 I267 F273 C274 L295 L296 | L266-C270 VanDerWaalsContact O-CB 3.27Å; L266-C270 WeakPolarHBondContact O-CB 3.42Å; L266-C270 PolarHBondContact O-N 3.21Å; L266-C270 PolarHBondContact O-SG 2.99Å; I267-C270 PolarHBondContact O-N 2.76Å; C270-F273 PolarHBondContact O-N 2.91Å; C270-C274 PolarHBondContact O-N 3.22Å; C270-C274 PolarHBondContact O-SG 2.96Å; C270-L295 WeakPolarHBondContact SG-CD2 3.4Å; C270-L296 HydrophobicContact CB-CD2 4.07Å |
| 271 | L | 90.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.2 | -35.1 | 179 | -66.8 | 177.9 | 0 | 0 | 0 | 112.4 | I267 D268 D269 F273 C274 S275 V319 R322 V323 I326 F346 | I267-L271 HydrophobicContact CG2-CD1 4.08Å; I267-L271 WeakPolarHBondContact O-CG 3.39Å; I267-L271 PolarHBondContact O-N 3.37Å; I267-L271 VanDerWaalsContact O-N 3.08Å; D268-L271 PolarHBondContact O-N 3.19Å; D269-L271 VanDerWaalsContact C-N 3.3Å; D269-L271 PolarHBondContact O-N 3.16Å; L271-F273 VanDerWaalsContact C-N 3.3Å; L271-C274 PolarHBondContact O-N 3.02Å; L271-S275 WeakPolarHBondContact O-CB 3.08Å; L271-S275 PolarHBondContact O-N 3.12Å; L271-V319 HydrophobicContact CD1-CG1 3.49Å; L271-V319 VanDerWaalsContact CD1-CG1 3.49Å; L271-R322 HydrophobicContact CD1-CB 4.14Å; L271-V323 HydrophobicContact CD1-CG2 4.08Å; L271-V323 HydrophobicContact CD2-CG2 3.89Å; L271-I326 HydrophobicContact CB-CD1 3.94Å; L271-I326 HydrophobicContact CD2-CD1 3.69Å; L271-I326 HydrophobicContact CG-CD1 4.37Å; L271-I326 WeakPolarHBondContact O-CD1 3.42Å; L271-F346 HydrophobicContact CD1-CE1 4.43Å; L271-F346 HydrophobicContact CD2-CD1 4.14Å; L271-F346 HydrophobicContact CD2-CE1 4.07Å; L271-F346 HydrophobicContact CG-CE1 4.26Å |
| 272 | A | 89.5 | Confident | 81.2 | Confident | 44 Ų | 44 | 34 Ų | 34 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | D268 D269 S275 W276 R322 | D268-A272 WeakPolarHBondContact O-CB 3.34Å; D268-A272 PolarHBondContact O-N 3.25Å; D269-A272 PolarHBondContact O-N 3.34Å; A272-S275 WeakPolarHBondContact O-CB 3.25Å; A272-S275 PolarHBondContact O-N 3.2Å; A272-W276 PolarHBondContact O-N 2.96Å; A272-R322 VanDerWaalsContact N-NH2 3.19Å |
| 273 | F | 89 | Confident | 81.5 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.4 | -157.4 | -104.5 | 0 | 0 | 0 | 112.3 | L233 K241 L245 D269 C270 L271 S275 W276 L277 F288 L292 | L233-F273 HydrophobicContact CD2-CE2 4.37Å; K241-F273 HydrophobicContact CD-CE2 4.39Å; L245-F273 HydrophobicContact CD2-CD1 4.4Å; L245-F273 HydrophobicContact CD2-CE1 3.76Å; L245-F273 HydrophobicContact CD2-CZ 4.42Å; D269-F273 VanDerWaalsContact O-CB 3.31Å; D269-F273 WeakPolarHBondContact O-CB 3.08Å; D269-F273 PolarHBondContact O-N 3.46Å; C270-F273 PolarHBondContact O-N 2.91Å; L271-F273 VanDerWaalsContact C-N 3.3Å; F273-S275 VanDerWaalsContact C-N 3.34Å; F273-S275 PolarHBondContact O-N 3.42Å; F273-W276 HydrophobicContact CD2-CE3 4.12Å; F273-W276 HydrophobicContact CE1-CE3 4.39Å; F273-W276 HydrophobicContact CE1-CZ3 4.24Å; F273-W276 AromaticContact CE2-CE3 3.73Å; F273-W276 HydrophobicContact CE2-CE3 3.73Å; F273-W276 AromaticContact CE2-CZ3 3.79Å; F273-W276 HydrophobicContact CE2-CZ3 3.79Å; F273-W276 AromaticContact CZ-CE3 3.87Å; F273-W276 HydrophobicContact CZ-CE3 3.87Å; F273-W276 AromaticContact CZ-CZ3 3.57Å; F273-W276 HydrophobicContact CZ-CZ3 3.57Å; F273-W276 PolarHBondContact O-N 3.09Å; F273-L277 WeakPolarHBondContact O-CB 3.25Å; F273-L277 PolarHBondContact O-N 2.76Å; F273-F288 HydrophobicContact CE1-CB 4.31Å; F273-F288 AromaticContact CE1-CD1 3.74Å; F273-F288 HydrophobicContact CE1-CD1 3.74Å; F273-F288 HydrophobicContact CE1-CE1 4.44Å; F273-F288 HydrophobicContact CE1-CG 4.39Å; F273-F288 AromaticContact CZ-CD1 3.5Å; F273-F288 HydrophobicContact CZ-CD1 3.5Å; F273-F288 VanDerWaalsContact CZ-CD1 3.5Å; F273-F288 AromaticContact CZ-CE1 3.75Å; F273-F288 HydrophobicContact CZ-CE1 3.75Å; F273-F288 HydrophobicContact CZ-CG 4.36Å; F273-L292 HydrophobicContact CD1-CD1 4.05Å; F273-L292 HydrophobicContact CD1-CD2 3.77Å; F273-L292 HydrophobicContact CD1-CG 4.37Å |
| 274 | C | 90 | Very high | 81.7 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 169.6 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | C270 L271 L277 T278 L292 I326 | C270-C274 PolarHBondContact O-N 3.22Å; C270-C274 PolarHBondContact O-SG 2.96Å; L271-C274 PolarHBondContact O-N 3.02Å; C274-L277 PolarHBondContact O-N 3.24Å; C274-T278 WeakPolarHBondContact O-CB 3.47Å; C274-T278 PolarHBondContact O-N 2.99Å; C274-T278 PolarHBondContact O-OG1 3Å; C274-L292 HydrophobicContact CB-CD2 4.23Å; C274-L292 WeakPolarHBondContact SG-CD2 3.4Å; C274-I326 HydrophobicContact CB-CD1 3.88Å; C274-I326 HydrophobicContact CB-CG2 4.39Å |
| 275 | S | 91.4 | Very high | 82.3 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.9 | -50.2 | 178.4 | -173.1 | 0 | 0 | 0 | 0 | 111 | L271 A272 F273 L277 T278 D279 Q329 | L271-S275 WeakPolarHBondContact O-CB 3.08Å; L271-S275 PolarHBondContact O-N 3.12Å; A272-S275 WeakPolarHBondContact O-CB 3.25Å; A272-S275 PolarHBondContact O-N 3.2Å; F273-S275 VanDerWaalsContact C-N 3.34Å; F273-S275 PolarHBondContact O-N 3.42Å; S275-L277 VanDerWaalsContact C-N 3.35Å; S275-L277 PolarHBondContact O-N 3.17Å; S275-T278 WeakPolarHBondContact O-CB 3.23Å; S275-T278 PolarHBondContact O-N 2.93Å; S275-D279 PolarHBondContact O-N 3.39Å; S275-Q329 PolarHBondContact O-NE2 2.69Å; S275-Q329 PolarHBondContact OG-NE2 3.38Å |
| 276 | W | 89.6 | Confident | 82.9 | Confident | 74 Ų | 74 | 43.4 Ų | 43.4 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.1 | -43.5 | 177.2 | 171.3 | 80.7 | 0 | 0 | 0 | 112.4 | K241 A272 F273 T278 D279 T280 F288 | K241-W276 HydrophobicContact CD-CH2 4.44Å; A272-W276 PolarHBondContact O-N 2.96Å; F273-W276 HydrophobicContact CD2-CE3 4.12Å; F273-W276 HydrophobicContact CE1-CE3 4.39Å; F273-W276 HydrophobicContact CE1-CZ3 4.24Å; F273-W276 AromaticContact CE2-CE3 3.73Å; F273-W276 HydrophobicContact CE2-CE3 3.73Å; F273-W276 AromaticContact CE2-CZ3 3.79Å; F273-W276 HydrophobicContact CE2-CZ3 3.79Å; F273-W276 AromaticContact CZ-CE3 3.87Å; F273-W276 HydrophobicContact CZ-CE3 3.87Å; F273-W276 AromaticContact CZ-CZ3 3.57Å; F273-W276 HydrophobicContact CZ-CZ3 3.57Å; F273-W276 PolarHBondContact O-N 3.09Å; W276-T278 VanDerWaalsContact C-N 3.25Å; W276-T278 PolarHBondContact O-N 3.3Å; W276-D279 PolarHBondContact O-N 3.5Å; W276-T280 HydrophobicContact CD2-CG2 4.47Å; W276-T280 HydrophobicContact CZ2-CG2 4.3Å; W276-T280 WeakPolarHBondContact O-CB 3.18Å; W276-T280 WeakPolarHBondContact O-CG2 3.39Å; W276-T280 PolarHBondContact O-N 3.47Å; W276-T280 PolarHBondContact O-OG1 3.38Å; W276-F288 HydrophobicContact CH2-CZ 4.46Å |
| 277 | L | 88.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 179.1 | -161.7 | 73.8 | 0 | 0 | 0 | 112.1 | F273 C274 S275 T280 A281 N285 F288 A289 L292 L335 L339 | F273-L277 WeakPolarHBondContact O-CB 3.25Å; F273-L277 PolarHBondContact O-N 2.76Å; C274-L277 PolarHBondContact O-N 3.24Å; S275-L277 VanDerWaalsContact C-N 3.35Å; S275-L277 PolarHBondContact O-N 3.17Å; L277-T280 WeakPolarHBondContact CA-OG1 3.32Å; L277-T280 PolarHBondContact O-OG1 3.32Å; L277-A281 PolarHBondContact O-N 3.03Å; L277-N285 HydrophobicContact CD1-CB 3.76Å; L277-F288 HydrophobicContact CD1-CB 3.62Å; L277-F288 HydrophobicContact CD1-CG 4.26Å; L277-F288 HydrophobicContact CD2-CB 4.37Å; L277-A289 HydrophobicContact CD2-CB 3.91Å; L277-L292 HydrophobicContact CD2-CD2 4.4Å; L277-L335 HydrophobicContact CD2-CD2 4.37Å; L277-L335 HydrophobicContact CG-CD2 4.36Å; L277-L339 HydrophobicContact CD2-CD2 3.42Å; L277-L339 VanDerWaalsContact CD2-CD2 3.42Å |
| 278 | T | 86.4 | Confident | 84 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -42.2 | 176.2 | -50.7 | 0 | 0 | 0 | 0 | 110.9 | C274 S275 W276 T280 A281 Q329 N331 F332 L335 | C274-T278 WeakPolarHBondContact O-CB 3.47Å; C274-T278 PolarHBondContact O-N 2.99Å; C274-T278 PolarHBondContact O-OG1 3Å; S275-T278 WeakPolarHBondContact O-CB 3.23Å; S275-T278 PolarHBondContact O-N 2.93Å; W276-T278 VanDerWaalsContact C-N 3.25Å; W276-T278 PolarHBondContact O-N 3.3Å; T278-T280 VanDerWaalsContact C-N 3.28Å; T278-T280 PolarHBondContact O-N 2.75Å; T278-A281 WeakPolarHBondContact O-CB 3.24Å; T278-A281 PolarHBondContact O-N 3.41Å; T278-Q329 HydrophobicContact CG2-CB 3.56Å; T278-Q329 HydrophobicContact CG2-CG 4.36Å; T278-Q329 PolarHBondContact OG1-OE1 3.39Å; T278-N331 HydrophobicContact CG2-CB 4.11Å; T278-N331 WeakPolarHBondContact O-CB 3.22Å; T278-N331 PolarHBondContact O-ND2 3.36Å; T278-F332 HydrophobicContact CG2-CB 4.13Å; T278-L335 HydrophobicContact CG2-CD1 4.42Å; T278-L335 WeakPolarHBondContact OG1-CD1 3.16Å |
| 279 | D | 86.2 | Confident | 84.3 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 177.1 | -66.7 | -32.7 | 0 | 0 | 0 | 112 | S275 W276 Q329 | S275-D279 PolarHBondContact O-N 3.39Å; W276-D279 PolarHBondContact O-N 3.5Å; D279-Q329 VanDerWaalsContact CG-NE2 3.27Å; D279-Q329 PolarHBondContact OD1-NE2 3.18Å; D279-Q329 PolarHBondContact OD2-NE2 2.99Å |
| 280 | T | 81.8 | Confident | 84.7 | Confident | 45 Ų | 45 | 46.5 Ų | 46.5 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 13.6 | -177.4 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | W276 L277 T278 D282 N285 | W276-T280 HydrophobicContact CD2-CG2 4.47Å; W276-T280 HydrophobicContact CZ2-CG2 4.3Å; W276-T280 WeakPolarHBondContact O-CB 3.18Å; W276-T280 WeakPolarHBondContact O-CG2 3.39Å; W276-T280 PolarHBondContact O-N 3.47Å; W276-T280 PolarHBondContact O-OG1 3.38Å; L277-T280 WeakPolarHBondContact CA-OG1 3.32Å; L277-T280 PolarHBondContact O-OG1 3.32Å; T278-T280 VanDerWaalsContact C-N 3.28Å; T278-T280 PolarHBondContact O-N 2.75Å; T280-D282 VanDerWaalsContact C-N 3.31Å; T280-D282 PolarHBondContact O-N 2.74Å; T280-N285 PolarHBondContact O-ND2 2.95Å; T280-N285 VanDerWaalsContact O-ND2 3.13Å; T280-N285 PolarHBondContact OG1-ND2 2.89Å |
| 281 | A | 65 | Low | 85 | Confident | 28 Ų | 28 | 47.4 Ų | 47.4 | 23% | 0.231 | 26% | 0.264 | C | S | . | . | trans | -49.8 | 79.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L277 T278 N331 K334 | L277-A281 PolarHBondContact O-N 3.03Å; T278-A281 WeakPolarHBondContact O-CB 3.24Å; T278-A281 PolarHBondContact O-N 3.41Å; A281-N331 HydrophobicContact CB-CB 3.74Å; A281-K334 HydrophobicContact CB-CB 4.35Å | ||
| 282 | D | 73.5 | Confident | 85.2 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | trans | -115 | 151.8 | 175.9 | -78.6 | -28.2 | 0 | 0 | 0 | 110.1 | T280 S284 N285 | T280-D282 VanDerWaalsContact C-N 3.31Å; T280-D282 PolarHBondContact O-N 2.74Å; D282-S284 PolarHBondContact O-N 3.47Å; D282-S284 VanDerWaalsContact O-N 3.12Å; D282-N285 WeakPolarHBondContact O-CB 3.2Å; D282-N285 PolarHBondContact O-N 2.81Å | ||
| 283 | S | 64.2 | Low | 85.3 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 84% | 0.839 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -62.7 | -20.4 | -178.6 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | N285 | S283-N285 PolarHBondContact O-N 3.22Š|
| 284 | S | 69.1 | Low | 85.5 | Confident | 87 Ų | 87 | 50 Ų | 50 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -62.2 | -20.4 | 171.8 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | D282 R286 | D282-S284 PolarHBondContact O-N 3.47Å; D282-S284 VanDerWaalsContact O-N 3.12Å; S284-R286 VanDerWaalsContact C-N 3.33Å; S284-R286 PolarHBondContact O-N 3.29Å |
| 285 | N | 82.4 | Confident | 85.5 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.102 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -93.2 | 7.6 | -170.7 | -64.7 | -7.9 | 0 | 0 | 0 | 113.6 | L277 T280 D282 S283 E287 F288 A289 | L277-N285 HydrophobicContact CD1-CB 3.76Å; T280-N285 PolarHBondContact O-ND2 2.95Å; T280-N285 VanDerWaalsContact O-ND2 3.13Å; T280-N285 PolarHBondContact OG1-ND2 2.89Å; D282-N285 WeakPolarHBondContact O-CB 3.2Å; D282-N285 PolarHBondContact O-N 2.81Å; S283-N285 PolarHBondContact O-N 3.22Å; N285-E287 PolarHBondContact O-N 3.06Å; N285-F288 HydrophobicContact CB-CD2 4.39Å; N285-F288 WeakPolarHBondContact O-CB 3.5Å; N285-F288 PolarHBondContact O-N 2.93Å; N285-A289 PolarHBondContact O-N 3.41Å; N285-A289 VanDerWaalsContact O-N 3.13Å |
| 286 | R | 88.2 | Confident | 85.4 | Confident | 149 Ų | 149 | 48.2 Ų | 48.2 | 56% | 0.562 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -54.7 | -40.5 | 179.5 | 179 | 167.5 | -169.9 | -151.6 | -1.6 | 112.7 | S284 A289 I290 E336 | S284-R286 VanDerWaalsContact C-N 3.33Å; S284-R286 PolarHBondContact O-N 3.29Å; R286-A289 PolarHBondContact O-N 2.94Å; R286-I290 HydrophobicContact CG-CD1 4.08Å; R286-I290 WeakPolarHBondContact O-CG1 3.39Å; R286-I290 PolarHBondContact O-N 3.44Å; R286-I290 VanDerWaalsContact O-N 3.1Å; R286-E336 HydrophobicContact CB-CG 4.41Å; R286-E336 VanDerWaalsContact CD-OE1 3.32Å; R286-E336 WeakPolarHBondContact CD-OE1 3.45Å; R286-E336 HydrophobicContact CG-CG 4.05Å; R286-E336 VanDerWaalsContact CG-OE1 3.31Å; R286-E336 WeakPolarHBondContact CG-OE1 3.46Å; R286-E336 IonicContact NE-OE1 3.06Å; R286-E336 IonicContact NE-OE2 2.66Å |
| 287 | E | 90.5 | Very high | 85.4 | Confident | 69 Ų | 69 | 47 Ų | 47 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | -177.3 | -153.8 | -169.4 | 138.3 | 0 | 0 | 112.5 | L242 R246 N285 A289 I290 M291 | L242-E287 HydrophobicContact CD1-CB 4.13Å; L242-E287 HydrophobicContact CD1-CG 4.08Å; R246-E287 IonicContact CZ-OE1 2.74Å; R246-E287 IonicContact NE-OE1 3.94Å; R246-E287 PolarHBondContact NE-OE1 3.41Å; R246-E287 IonicContact NH2-OE1 2.63Å; R246-E287 PolarHBondContact NH2-OE1 2.82Å; R246-E287 IonicContact NH2-OE2 3.72Å; N285-E287 PolarHBondContact O-N 3.06Å; E287-A289 VanDerWaalsContact C-N 3.29Å; E287-A289 PolarHBondContact O-N 3.15Å; E287-I290 PolarHBondContact O-N 3.49Å; E287-M291 WeakPolarHBondContact O-CG 3.4Å; E287-M291 PolarHBondContact O-N 3.41Å |
| 288 | F | 91.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -43.5 | 171.9 | -71.5 | -76.4 | 0 | 0 | 0 | 111.7 | V238 K241 L242 L245 F273 W276 L277 N285 I290 M291 L292 | V238-F288 HydrophobicContact CG1-CE2 3.68Å; V238-F288 HydrophobicContact CG1-CZ 3.78Å; V238-F288 WeakPolarHBondContact O-CZ 3.36Å; K241-F288 HydrophobicContact CB-CE1 3.82Å; K241-F288 HydrophobicContact CB-CZ 4.15Å; L242-F288 HydrophobicContact CB-CD1 4.38Å; L242-F288 HydrophobicContact CB-CE1 3.7Å; L242-F288 HydrophobicContact CB-CZ 3.8Å; L242-F288 HydrophobicContact CD1-CD1 3.99Å; L242-F288 HydrophobicContact CD1-CE1 4.16Å; L242-F288 HydrophobicContact CD1-CG 4.29Å; L245-F288 HydrophobicContact CD2-CD1 4.06Å; F273-F288 HydrophobicContact CE1-CB 4.31Å; F273-F288 AromaticContact CE1-CD1 3.74Å; F273-F288 HydrophobicContact CE1-CD1 3.74Å; F273-F288 HydrophobicContact CE1-CE1 4.44Å; F273-F288 HydrophobicContact CE1-CG 4.39Å; F273-F288 AromaticContact CZ-CD1 3.5Å; F273-F288 HydrophobicContact CZ-CD1 3.5Å; F273-F288 VanDerWaalsContact CZ-CD1 3.5Å; F273-F288 AromaticContact CZ-CE1 3.75Å; F273-F288 HydrophobicContact CZ-CE1 3.75Å; F273-F288 HydrophobicContact CZ-CG 4.36Å; W276-F288 HydrophobicContact CH2-CZ 4.46Å; L277-F288 HydrophobicContact CD1-CB 3.62Å; L277-F288 HydrophobicContact CD1-CG 4.26Å; L277-F288 HydrophobicContact CD2-CB 4.37Å; N285-F288 HydrophobicContact CB-CD2 4.39Å; N285-F288 WeakPolarHBondContact O-CB 3.5Å; N285-F288 PolarHBondContact O-N 2.93Å; F288-I290 VanDerWaalsContact C-N 3.32Å; F288-I290 PolarHBondContact O-N 3.22Å; F288-M291 PolarHBondContact O-N 3.27Å; F288-L292 WeakPolarHBondContact O-CB 3.42Å; F288-L292 PolarHBondContact O-N 3.18Å |
| 289 | A | 91.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L277 N285 R286 E287 S293 E336 L339 | L277-A289 HydrophobicContact CD2-CB 3.91Å; N285-A289 PolarHBondContact O-N 3.41Å; N285-A289 VanDerWaalsContact O-N 3.13Å; R286-A289 PolarHBondContact O-N 2.94Å; E287-A289 VanDerWaalsContact C-N 3.29Å; E287-A289 PolarHBondContact O-N 3.15Å; A289-S293 WeakPolarHBondContact O-CB 3.49Å; A289-S293 PolarHBondContact O-N 2.89Å; A289-E336 HydrophobicContact CB-CB 3.72Å; A289-E336 HydrophobicContact CB-CG 3.75Å; A289-L339 HydrophobicContact CB-CB 4.13Å; A289-L339 HydrophobicContact CB-CD2 4.05Å |
| 290 | I | 93.2 | Very high | 84.6 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 32% | 0.323 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 176.2 | -62.5 | 166.1 | 0 | 0 | 0 | 110.6 | R286 E287 F288 R294 | R286-I290 HydrophobicContact CG-CD1 4.08Å; R286-I290 WeakPolarHBondContact O-CG1 3.39Å; R286-I290 PolarHBondContact O-N 3.44Å; R286-I290 VanDerWaalsContact O-N 3.1Å; E287-I290 PolarHBondContact O-N 3.49Å; F288-I290 VanDerWaalsContact C-N 3.32Å; F288-I290 PolarHBondContact O-N 3.22Å; I290-R294 WeakPolarHBondContact O-CG 3.35Å; I290-R294 PolarHBondContact O-N 3.44Å; I290-R294 VanDerWaalsContact O-N 3.09Å |
| 291 | M | 93.6 | Very high | 84.3 | Confident | 23 Ų | 23 | 47.4 Ų | 47.4 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | -179.9 | -67.6 | -58.3 | 108.6 | 0 | 0 | 112.1 | L242 L245 R246 V249 E287 F288 R294 L295 | L242-M291 HydrophobicContact CD1-CG 4.44Å; L245-M291 HydrophobicContact CD2-CB 3.53Å; L245-M291 HydrophobicContact CG-CB 3.79Å; R246-M291 HydrophobicContact CG-CG 4.05Å; R246-M291 HydrophobicContact CG-SD 3.85Å; V249-M291 WeakPolarHBondContact CG2-O 3.42Å; E287-M291 WeakPolarHBondContact O-CG 3.4Å; E287-M291 PolarHBondContact O-N 3.41Å; F288-M291 PolarHBondContact O-N 3.27Å; M291-R294 WeakPolarHBondContact O-CB 3.4Å; M291-R294 PolarHBondContact O-N 3.32Å; M291-L295 PolarHBondContact O-N 3.5Å |
| 292 | L | 93.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 177.8 | -172.7 | 59.8 | 0 | 0 | 0 | 111.7 | L245 F273 C274 L277 F288 R294 L295 L296 L339 | L245-L292 HydrophobicContact CD2-CB 4.39Å; F273-L292 HydrophobicContact CD1-CD1 4.05Å; F273-L292 HydrophobicContact CD1-CD2 3.77Å; F273-L292 HydrophobicContact CD1-CG 4.37Å; C274-L292 HydrophobicContact CB-CD2 4.23Å; C274-L292 WeakPolarHBondContact SG-CD2 3.4Å; L277-L292 HydrophobicContact CD2-CD2 4.4Å; F288-L292 WeakPolarHBondContact O-CB 3.42Å; F288-L292 PolarHBondContact O-N 3.18Å; L292-R294 PolarHBondContact O-N 3.25Å; L292-L295 HydrophobicContact CD1-CD2 4.38Å; L292-L295 WeakPolarHBondContact O-CB 3.3Å; L292-L295 PolarHBondContact O-N 3.03Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 3.49Å; L292-L339 HydrophobicContact CB-CD1 4.07Å; L292-L339 HydrophobicContact CD2-CD1 3.89Å; L292-L339 HydrophobicContact CD2-CD2 4.09Å; L292-L339 HydrophobicContact CG-CD1 3.84Å |
| 293 | S | 93.2 | Very high | 84 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -49.3 | 170.3 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | A289 L295 L296 D297 S342 | A289-S293 WeakPolarHBondContact O-CB 3.49Å; A289-S293 PolarHBondContact O-N 2.89Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.03Å; S293-L296 PolarHBondContact O-N 3.16Å; S293-D297 WeakPolarHBondContact O-CB 3.43Å; S293-D297 VanDerWaalsContact O-CG 3.26Å; S293-D297 PolarHBondContact O-N 2.88Å; S293-S342 WeakPolarHBondContact CA-OG 3.05Å; S293-S342 WeakPolarHBondContact CB-OG 3.42Å; S293-S342 PolarHBondContact OG-OG 3.16Å |
| 294 | R | 92.2 | Very high | 84.1 | Confident | 99 Ų | 99 | 45.1 Ų | 45.1 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -37.4 | 176.2 | -72.9 | 177.9 | 62.1 | -170.8 | 0.5 | 113.3 | V249 E253 I290 M291 L292 S298 | V249-R294 HydrophobicContact CG1-CB 4.18Å; E253-R294 IonicContact OE1-CZ 2.65Å; E253-R294 IonicContact OE1-NE 2.68Å; E253-R294 PolarHBondContact OE1-NE 2.94Å; E253-R294 IonicContact OE1-NH2 3.95Å; E253-R294 PolarHBondContact OE1-NH2 3.03Å; E253-R294 IonicContact OE2-NH2 3.24Å; E253-R294 PolarHBondContact OE2-NH2 3.49Å; I290-R294 WeakPolarHBondContact O-CG 3.35Å; I290-R294 PolarHBondContact O-N 3.44Å; I290-R294 VanDerWaalsContact O-N 3.09Å; M291-R294 WeakPolarHBondContact O-CB 3.4Å; M291-R294 PolarHBondContact O-N 3.32Å; L292-R294 PolarHBondContact O-N 3.25Å; R294-S298 VanDerWaalsContact O-CB 3.31Å; R294-S298 WeakPolarHBondContact O-CB 3.31Å; R294-S298 PolarHBondContact O-N 3.16Å; R294-S298 PolarHBondContact O-OG 2.92Å |
| 295 | L | 90.2 | Very high | 84 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 176.9 | -175.4 | 54.2 | 0 | 0 | 0 | 110.7 | L245 I248 V249 V252 L266 C270 M291 L292 S293 D297 S298 C299 | L245-L295 HydrophobicContact CD1-CD2 3.87Å; I248-L295 HydrophobicContact CG2-CD1 3.81Å; I248-L295 HydrophobicContact CG2-CD2 3.79Å; I248-L295 HydrophobicContact CG2-CG 4.48Å; V249-L295 HydrophobicContact CG2-CB 3.86Å; V249-L295 HydrophobicContact CG2-CD1 4.42Å; V252-L295 HydrophobicContact CB-CD1 4.15Å; V252-L295 HydrophobicContact CG1-CD1 4.37Å; V252-L295 HydrophobicContact CG2-CD1 3.82Å; L266-L295 HydrophobicContact CD1-CD2 4.49Å; C270-L295 WeakPolarHBondContact SG-CD2 3.4Å; M291-L295 PolarHBondContact O-N 3.5Å; L292-L295 HydrophobicContact CD1-CD2 4.38Å; L292-L295 WeakPolarHBondContact O-CB 3.3Å; L292-L295 PolarHBondContact O-N 3.03Å; S293-L295 VanDerWaalsContact C-N 3.3Å; S293-L295 PolarHBondContact O-N 3.03Å; L295-D297 PolarHBondContact O-N 3.38Å; L295-S298 PolarHBondContact O-N 2.96Å; L295-C299 PolarHBondContact O-N 2.85Å; L295-C299 PolarHBondContact O-SG 3.41Å |
| 296 | L | 89.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 177.2 | -66.9 | 175.5 | 0 | 0 | 0 | 111.5 | C270 L292 S293 S298 C299 C300 L339 V343 F346 | C270-L296 HydrophobicContact CB-CD2 4.07Å; L292-L296 WeakPolarHBondContact O-CG 3.26Å; L292-L296 PolarHBondContact O-N 3.49Å; S293-L296 PolarHBondContact O-N 3.16Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.03Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.36Å; L296-C299 VanDerWaalsContact O-N 3.16Å; L296-C300 PolarHBondContact O-N 2.99Å; L296-C300 PolarHBondContact O-SG 3.34Å; L296-L339 HydrophobicContact CD1-CD1 3.94Å; L296-V343 HydrophobicContact CD1-CG2 3.9Å; L296-F346 HydrophobicContact CB-CD2 4.39Å; L296-F346 HydrophobicContact CD2-CB 4.43Å; L296-F346 HydrophobicContact CD2-CD1 3.9Å; L296-F346 HydrophobicContact CD2-CD2 3.79Å; L296-F346 HydrophobicContact CD2-CE1 3.97Å; L296-F346 HydrophobicContact CD2-CE2 3.89Å; L296-F346 HydrophobicContact CD2-CG 3.81Å; L296-F346 HydrophobicContact CD2-CZ 3.96Å |
| 297 | D | 88.8 | Confident | 82 | Confident | 47 Ų | 47 | 41 Ų | 41 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.6 | -36.7 | 177.8 | -72 | -13.8 | 0 | 0 | 0 | 112.3 | S293 L295 C300 N301 S342 | S293-D297 WeakPolarHBondContact O-CB 3.43Å; S293-D297 VanDerWaalsContact O-CG 3.26Å; S293-D297 PolarHBondContact O-N 2.88Å; L295-D297 PolarHBondContact O-N 3.38Å; D297-C300 PolarHBondContact O-N 2.96Å; D297-N301 WeakPolarHBondContact O-CB 3.34Å; D297-N301 PolarHBondContact O-N 3.29Å; D297-N301 PolarHBondContact O-ND2 2.89Å; D297-S342 PolarHBondContact OD1-OG 3.3Å |
| 298 | S | 84.6 | Confident | 81.1 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | E253 R294 L295 L296 C300 R302 S303 | E253-S298 WeakPolarHBondContact CG-OG 3.41Å; R294-S298 VanDerWaalsContact O-CB 3.31Å; R294-S298 WeakPolarHBondContact O-CB 3.31Å; R294-S298 PolarHBondContact O-N 3.16Å; R294-S298 PolarHBondContact O-OG 2.92Å; L295-S298 PolarHBondContact O-N 2.96Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.03Å; S298-C300 VanDerWaalsContact C-N 3.33Å; S298-R302 PolarHBondContact O-N 3.3Å; S298-S303 PolarHBondContact O-N 3.31Å; S298-S303 VanDerWaalsContact O-N 3.12Å |
| 299 | C | 80 | Confident | 79.9 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -39.4 | 172.1 | -66.5 | 0 | 0 | 0 | 0 | 112 | L295 L296 F304 I307 F346 | L295-C299 PolarHBondContact O-N 2.85Å; L295-C299 PolarHBondContact O-SG 3.41Å; L296-C299 WeakPolarHBondContact O-CB 3.37Å; L296-C299 PolarHBondContact O-N 3.36Å; L296-C299 VanDerWaalsContact O-N 3.16Å; C299-F304 VanDerWaalsContact O-CA 3.32Å; C299-F304 WeakPolarHBondContact O-CA 3.25Å; C299-F304 PolarHBondContact O-N 3.26Å; C299-F304 VanDerWaalsContact O-N 3.14Å; C299-I307 HydrophobicContact CB-CD1 3.8Å; C299-F346 HydrophobicContact CB-CE2 3.9Å |
| 300 | C | 79.4 | Confident | 78.9 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 10% | 0.101 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.3 | -34.1 | 179.4 | -65.8 | 0 | 0 | 0 | 0 | 114.6 | L296 D297 S298 F304 S349 | L296-C300 PolarHBondContact O-N 2.99Å; L296-C300 PolarHBondContact O-SG 3.34Å; D297-C300 PolarHBondContact O-N 2.96Å; S298-C300 VanDerWaalsContact C-N 3.33Å; C300-F304 VanDerWaalsContact O-CB 3.3Å; C300-F304 WeakPolarHBondContact O-CB 3.4Å; C300-S349 PolarHBondContact SG-OG 3.43Å |
| 301 | N | 76.9 | Confident | 78.2 | Confident | 129 Ų | 129 | 50.8 Ų | 50.8 | 69% | 0.69 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -106.2 | -42.7 | -169.6 | -68.2 | -59.5 | 0 | 0 | 0 | 114 | D297 | D297-N301 WeakPolarHBondContact O-CB 3.34Å; D297-N301 PolarHBondContact O-N 3.29Å; D297-N301 PolarHBondContact O-ND2 2.89Å |
| 302 | R | 66 | Low | 77.8 | Confident | 174 Ų | 174 | 57.1 Ų | 57.1 | 66% | 0.657 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -46.1 | -173.6 | -68.4 | -172.5 | 178.7 | -172.6 | 4.4 | 112 | E253 S298 | E253-R302 PolarHBondContact O-NH1 3.01Å; S298-R302 PolarHBondContact O-N 3.3Å |
| 303 | S | 64.3 | Low | 77.7 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -97.8 | 4.4 | -172 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | S298 E305 V306 I307 | S298-S303 PolarHBondContact O-N 3.31Å; S298-S303 VanDerWaalsContact O-N 3.12Å; S303-E305 PolarHBondContact O-N 2.96Å; S303-V306 PolarHBondContact O-N 3.21Å; S303-I307 VanDerWaalsContact CB-CD1 3.44Å; S303-I307 WeakPolarHBondContact O-CB 3.46Å; S303-I307 WeakPolarHBondContact O-CG1 3.38Å; S303-I307 PolarHBondContact O-N 3.48Å |
| 304 | F | 66.5 | Low | 77.5 | Confident | 30 Ų | 30 | 61 Ų | 61 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.3 | -51.9 | -172.2 | 179 | -87.8 | 0 | 0 | 0 | 113.4 | C299 C300 V306 F308 Y352 C353 | C299-F304 VanDerWaalsContact O-CA 3.32Å; C299-F304 WeakPolarHBondContact O-CA 3.25Å; C299-F304 PolarHBondContact O-N 3.26Å; C299-F304 VanDerWaalsContact O-N 3.14Å; C300-F304 VanDerWaalsContact O-CB 3.3Å; C300-F304 WeakPolarHBondContact O-CB 3.4Å; F304-V306 PolarHBondContact O-N 3.49Å; F304-F308 HydrophobicContact CB-CD2 4.47Å; F304-F308 AromaticContact CD2-CD2 3.61Å; F304-F308 HydrophobicContact CD2-CD2 3.61Å; F304-F308 AromaticContact CD2-CE2 3.85Å; F304-F308 HydrophobicContact CD2-CE2 3.85Å; F304-F308 HydrophobicContact CD2-CG 4.17Å; F304-F308 HydrophobicContact CE2-CB 4.34Å; F304-F308 HydrophobicContact CE2-CD1 4.45Å; F304-F308 AromaticContact CE2-CD2 3.96Å; F304-F308 HydrophobicContact CE2-CD2 3.96Å; F304-F308 HydrophobicContact CE2-CE2 4.33Å; F304-F308 HydrophobicContact CE2-CG 4.03Å; F304-F308 HydrophobicContact CG-CD2 4.13Å; F304-F308 HydrophobicContact CZ-CB 4.36Å; F304-F308 WeakPolarHBondContact O-CB 3.22Å; F304-F308 WeakPolarHBondContact O-CD2 3.27Å; F304-F308 PolarHBondContact O-N 3.08Å; F304-Y352 AromaticContact CE1-CD1 3.9Å; F304-Y352 HydrophobicContact CE1-CD1 3.9Å; F304-Y352 AromaticContact CE1-CE1 3.74Å; F304-Y352 HydrophobicContact CE1-CE1 3.74Å; F304-Y352 HydrophobicContact CE2-CD1 4.16Å; F304-Y352 AromaticContact CZ-CD1 3.4Å; F304-Y352 HydrophobicContact CZ-CD1 3.4Å; F304-Y352 AromaticContact CZ-CE1 3.75Å; F304-Y352 HydrophobicContact CZ-CE1 3.75Å; F304-C353 WeakPolarHBondContact CE2-SG 3.33Å; F304-C353 WeakPolarHBondContact CZ-SG 3.38Å |
| 305 | E | 67.4 | Low | 77.3 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -20.7 | -178.6 | -75.5 | -154.6 | 178.7 | 0 | 0 | 112.9 | S303 R309 | S303-E305 PolarHBondContact O-N 2.96Å; E305-R309 VanDerWaalsContact CD-NH2 3.32Å; E305-R309 WeakPolarHBondContact O-CB 3.41Å; E305-R309 IonicContact OE1-NH2 2.82Å; E305-R309 IonicContact OE2-CZ 2.69Å; E305-R309 VanDerWaalsContact OE2-CZ 3.29Å; E305-R309 IonicContact OE2-NH1 3.32Å; E305-R309 PolarHBondContact OE2-NH1 3.34Å; E305-R309 IonicContact OE2-NH2 3.16Å; E305-R309 PolarHBondContact OE2-NH2 3Å |
| 306 | V | 64.1 | Low | 77.3 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 25% | 0.248 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -103.9 | -42.2 | -172.8 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | S259 S303 F304 F308 | S259-V306 VanDerWaalsContact CB-CG1 3.44Å; S259-V306 VanDerWaalsContact CB-CG2 3.43Å; S259-V306 WeakPolarHBondContact O-CG1 3.39Å; S259-V306 WeakPolarHBondContact OG-CG1 3.37Å; S259-V306 WeakPolarHBondContact OG-CG2 3.45Å; S303-V306 PolarHBondContact O-N 3.21Å; F304-V306 PolarHBondContact O-N 3.49Å; V306-F308 VanDerWaalsContact C-N 3.31Å; V306-F308 PolarHBondContact O-N 2.9Å |
| 307 | I | 65.2 | Low | 77.4 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.2 | -67.3 | 172.7 | 0 | 0 | 0 | 110.3 | L266 I267 C299 S303 T311 | L266-I307 HydrophobicContact CD2-CD1 4.35Å; I267-I307 HydrophobicContact CD1-CG2 3.5Å; I267-I307 HydrophobicContact CG1-CG2 3.89Å; C299-I307 HydrophobicContact CB-CD1 3.8Å; S303-I307 VanDerWaalsContact CB-CD1 3.44Å; S303-I307 WeakPolarHBondContact O-CB 3.46Å; S303-I307 WeakPolarHBondContact O-CG1 3.38Å; S303-I307 PolarHBondContact O-N 3.48Å; I307-T311 PolarHBondContact O-OG1 3.13Å |
| 308 | F | 70.5 | Confident | 77.5 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -25.8 | -167.1 | -62 | -100.6 | 0 | 0 | 0 | 114.8 | I267 F304 V306 E310 T311 F346 F350 C353 | I267-F308 HydrophobicContact CD1-CE1 4.4Å; F304-F308 HydrophobicContact CB-CD2 4.47Å; F304-F308 AromaticContact CD2-CD2 3.61Å; F304-F308 HydrophobicContact CD2-CD2 3.61Å; F304-F308 AromaticContact CD2-CE2 3.85Å; F304-F308 HydrophobicContact CD2-CE2 3.85Å; F304-F308 HydrophobicContact CD2-CG 4.17Å; F304-F308 HydrophobicContact CE2-CB 4.34Å; F304-F308 HydrophobicContact CE2-CD1 4.45Å; F304-F308 AromaticContact CE2-CD2 3.96Å; F304-F308 HydrophobicContact CE2-CD2 3.96Å; F304-F308 HydrophobicContact CE2-CE2 4.33Å; F304-F308 HydrophobicContact CE2-CG 4.03Å; F304-F308 HydrophobicContact CG-CD2 4.13Å; F304-F308 HydrophobicContact CZ-CB 4.36Å; F304-F308 WeakPolarHBondContact O-CB 3.22Å; F304-F308 WeakPolarHBondContact O-CD2 3.27Å; F304-F308 PolarHBondContact O-N 3.08Å; V306-F308 VanDerWaalsContact C-N 3.31Å; V306-F308 PolarHBondContact O-N 2.9Å; F308-E310 VanDerWaalsContact C-N 3.27Å; F308-E310 PolarHBondContact O-N 3.38Å; F308-T311 PolarHBondContact O-N 3.49Å; F308-F346 AromaticContact CZ-CE2 3.96Å; F308-F346 HydrophobicContact CZ-CE2 3.96Å; F308-F346 HydrophobicContact CZ-CZ 4.42Å; F308-F350 AromaticContact CD1-CD1 3.87Å; F308-F350 HydrophobicContact CD1-CD1 3.87Å; F308-F350 AromaticContact CD1-CE1 3.8Å; F308-F350 HydrophobicContact CD1-CE1 3.8Å; F308-F350 AromaticContact CE1-CD1 3.46Å; F308-F350 HydrophobicContact CE1-CD1 3.46Å; F308-F350 VanDerWaalsContact CE1-CD1 3.46Å; F308-F350 AromaticContact CE1-CE1 3.17Å; F308-F350 HydrophobicContact CE1-CE1 3.17Å; F308-F350 HydrophobicContact CE1-CE2 4.38Å; F308-F350 HydrophobicContact CE1-CG 4.2Å; F308-F350 AromaticContact CE1-CZ 3.64Å; F308-F350 HydrophobicContact CE1-CZ 3.64Å; F308-F350 HydrophobicContact CZ-CE1 4.16Å; F308-F350 HydrophobicContact CZ-CZ 4.22Å; F308-C353 WeakPolarHBondContact CB-SG 3.46Å; F308-C353 WeakPolarHBondContact CD1-SG 3.45Å |
| 309 | R | 67.5 | Low | 77.8 | Confident | 175 Ų | 175 | 60.8 Ų | 60.8 | 66% | 0.66 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.6 | -177.6 | -173.1 | -177.4 | -93 | 157.4 | 2.5 | 112.9 | E305 | E305-R309 VanDerWaalsContact CD-NH2 3.32Å; E305-R309 WeakPolarHBondContact O-CB 3.41Å; E305-R309 IonicContact OE1-NH2 2.82Å; E305-R309 IonicContact OE2-CZ 2.69Å; E305-R309 VanDerWaalsContact OE2-CZ 3.29Å; E305-R309 IonicContact OE2-NH1 3.32Å; E305-R309 PolarHBondContact OE2-NH1 3.34Å; E305-R309 IonicContact OE2-NH2 3.16Å; E305-R309 PolarHBondContact OE2-NH2 3Å |
| 310 | E | 70.1 | Confident | 78.4 | Confident | 156 Ų | 156 | 60.7 Ų | 60.7 | 73% | 0.729 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.2 | 178.8 | -61.4 | -172 | 175.5 | 0 | 0 | 113.2 | F308 K312 | F308-E310 VanDerWaalsContact C-N 3.27Å; F308-E310 PolarHBondContact O-N 3.38Å; E310-K312 PolarHBondContact O-N 2.76Å |
| 311 | T | 78.1 | Confident | 79.1 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -80.6 | 118.1 | -176.7 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | I307 F308 R315 I316 Y357 | I307-T311 PolarHBondContact O-OG1 3.13Å; F308-T311 PolarHBondContact O-N 3.49Å; T311-R315 HydrophobicContact CG2-CB 3.86Å; T311-R315 HydrophobicContact CG2-CG 3.84Å; T311-I316 HydrophobicContact CG2-CG1 3.84Å; T311-Y357 PolarHBondContact O-OH 3Å |
| 312 | K | 86.4 | Confident | 79.9 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | trans | -55.6 | 144.9 | 177.8 | -63.6 | -179.6 | -178.1 | 174.9 | 0 | 112.6 | E310 N314 R315 I316 | E310-K312 PolarHBondContact O-N 2.76Å; K312-N314 VanDerWaalsContact C-N 3.34Å; K312-N314 WeakPolarHBondContact CB-OD1 3.36Å; K312-N314 PolarHBondContact O-N 3.32Å; K312-R315 WeakPolarHBondContact O-CB 3.4Å; K312-R315 PolarHBondContact O-N 3.42Å; K312-I316 PolarHBondContact O-N 3.25Å; K312-I316 VanDerWaalsContact O-N 3.17Å | ||
| 313 | L | 89.6 | Confident | 81.3 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.1 | -46.2 | 179.3 | 178.2 | 63.6 | 0 | 0 | 0 | 113.7 | R315 I316 V317 I354 Y357 E361 V362 E365 | L313-R315 PolarHBondContact O-N 2.98Å; L313-I316 WeakPolarHBondContact O-CB 3.45Å; L313-I316 PolarHBondContact O-N 2.91Å; L313-V317 HydrophobicContact CD1-CG2 4.32Å; L313-V317 WeakPolarHBondContact O-CG2 3.48Å; L313-V317 PolarHBondContact O-N 2.73Å; L313-I354 HydrophobicContact CD1-CB 4.47Å; L313-I354 HydrophobicContact CD1-CG1 3.85Å; L313-I354 HydrophobicContact CD1-CG2 4.35Å; L313-Y357 HydrophobicContact CB-CD1 4.11Å; L313-Y357 HydrophobicContact CB-CD2 4.48Å; L313-Y357 HydrophobicContact CB-CE1 3.96Å; L313-Y357 HydrophobicContact CB-CE2 4.33Å; L313-Y357 HydrophobicContact CB-CG 4.38Å; L313-Y357 HydrophobicContact CD1-CD2 4.2Å; L313-Y357 HydrophobicContact CD1-CG 4.41Å; L313-Y357 PolarHBondContact N-OH 3Å; L313-E361 WeakPolarHBondContact CD2-O 3.48Å; L313-V362 HydrophobicContact CD2-CG2 4.26Å; L313-E365 HydrophobicContact CD2-CB 3.82Å; L313-E365 HydrophobicContact CD2-CG 4.38Å; L313-E365 HydrophobicContact CG-CB 4.32Å; L313-E365 HydrophobicContact CG-CG 4.33Å |
| 314 | N | 90.3 | Very high | 82.7 | Confident | 78 Ų | 78 | 50.3 Ų | 50.3 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.1 | -36 | 179.8 | 70.5 | -39.7 | 0 | 0 | 0 | 112.2 | K312 V317 D318 E365 | K312-N314 VanDerWaalsContact C-N 3.34Å; K312-N314 WeakPolarHBondContact CB-OD1 3.36Å; K312-N314 PolarHBondContact O-N 3.32Å; N314-V317 PolarHBondContact O-N 2.92Å; N314-D318 PolarHBondContact O-N 2.96Å; N314-E365 VanDerWaalsContact CA-OE2 3.32Å; N314-E365 WeakPolarHBondContact CA-OE2 3.33Å; N314-E365 VanDerWaalsContact CB-OE2 3.23Å; N314-E365 WeakPolarHBondContact CB-OE2 3.4Å |
| 315 | R | 87.6 | Confident | 84.1 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 33% | 0.328 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 175.6 | -174.7 | 52.2 | 164.8 | -172.8 | -7.1 | 111.7 | D268 T311 K312 L313 V317 D318 V319 | D268-R315 IonicContact OD1-CZ 3.51Å; D268-R315 IonicContact OD1-NE 3.9Å; D268-R315 IonicContact OD1-NH2 2.77Å; D268-R315 PolarHBondContact OD1-NH2 3.49Å; D268-R315 IonicContact OD2-CZ 2.98Å; D268-R315 IonicContact OD2-NE 3.28Å; D268-R315 IonicContact OD2-NH2 2.75Å; D268-R315 PolarHBondContact OD2-NH2 3.11Å; T311-R315 HydrophobicContact CG2-CB 3.86Å; T311-R315 HydrophobicContact CG2-CG 3.84Å; K312-R315 WeakPolarHBondContact O-CB 3.4Å; K312-R315 PolarHBondContact O-N 3.42Å; L313-R315 PolarHBondContact O-N 2.98Å; R315-V317 PolarHBondContact O-N 3.35Å; R315-D318 PolarHBondContact O-N 3.36Å; R315-V319 VanDerWaalsContact O-CG2 3.27Å; R315-V319 WeakPolarHBondContact O-CG2 3.31Å; R315-V319 PolarHBondContact O-N 3.13Å |
| 316 | I | 89.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 174.2 | -65.1 | 172.6 | 0 | 0 | 0 | 110.4 | T311 K312 L313 V319 L320 F350 C353 I354 Y357 | T311-I316 HydrophobicContact CG2-CG1 3.84Å; K312-I316 PolarHBondContact O-N 3.25Å; K312-I316 VanDerWaalsContact O-N 3.17Å; L313-I316 WeakPolarHBondContact O-CB 3.45Å; L313-I316 PolarHBondContact O-N 2.91Å; I316-V319 PolarHBondContact O-N 3.09Å; I316-L320 PolarHBondContact O-N 3.1Å; I316-F350 HydrophobicContact CB-CD1 4.46Å; I316-F350 HydrophobicContact CG1-CD1 4.46Å; I316-F350 HydrophobicContact CG2-CB 3.87Å; I316-F350 HydrophobicContact CG2-CD1 3.8Å; I316-F350 HydrophobicContact CG2-CG 4.24Å; I316-C353 HydrophobicContact CD1-CB 3.81Å; I316-I354 HydrophobicContact CG2-CD1 4.01Å; I316-I354 HydrophobicContact CG2-CG1 3.79Å; I316-Y357 HydrophobicContact CD1-CE2 3.77Å |
| 317 | V | 92.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -41.3 | 178.4 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | L313 N314 R315 V319 L320 Q321 E365 M367 L368 R371 | L313-V317 HydrophobicContact CD1-CG2 4.32Å; L313-V317 WeakPolarHBondContact O-CG2 3.48Å; L313-V317 PolarHBondContact O-N 2.73Å; N314-V317 PolarHBondContact O-N 2.92Å; R315-V317 PolarHBondContact O-N 3.35Å; V317-V319 VanDerWaalsContact C-N 3.29Å; V317-V319 PolarHBondContact O-N 3.16Å; V317-L320 PolarHBondContact O-N 3.39Å; V317-Q321 PolarHBondContact O-N 3.3Å; V317-E365 HydrophobicContact CB-CG 4.18Å; V317-E365 HydrophobicContact CG1-CG 4.26Å; V317-E365 HydrophobicContact CG2-CG 3.65Å; V317-M367 HydrophobicContact CG1-CB 4.15Å; V317-L368 HydrophobicContact CG2-CD1 3.7Å; V317-R371 HydrophobicContact CG1-CB 4.23Å; V317-R371 HydrophobicContact CG1-CG 3.41Å; V317-R371 VanDerWaalsContact CG1-CG 3.41Å |
| 318 | D | 91.2 | Very high | 88.1 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 35% | 0.353 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -36.2 | 173.4 | -73.1 | -24.1 | 0 | 0 | 0 | 112.3 | N314 R315 Q321 R322 | N314-D318 PolarHBondContact O-N 2.96Å; R315-D318 PolarHBondContact O-N 3.36Å; D318-Q321 VanDerWaalsContact O-CB 3.29Å; D318-Q321 WeakPolarHBondContact O-CB 3.45Å; D318-Q321 PolarHBondContact O-N 2.77Å; D318-R322 PolarHBondContact O-N 3.28Å |
| 319 | V | 90.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | I267 L271 R315 I316 V317 Q321 R322 V323 F350 | I267-V319 HydrophobicContact CG2-CB 4.43Å; I267-V319 HydrophobicContact CG2-CG1 3.69Å; I267-V319 HydrophobicContact CG2-CG2 3.81Å; L271-V319 HydrophobicContact CD1-CG1 3.49Å; L271-V319 VanDerWaalsContact CD1-CG1 3.49Å; R315-V319 VanDerWaalsContact O-CG2 3.27Å; R315-V319 WeakPolarHBondContact O-CG2 3.31Å; R315-V319 PolarHBondContact O-N 3.13Å; I316-V319 PolarHBondContact O-N 3.09Å; V317-V319 VanDerWaalsContact C-N 3.29Å; V317-V319 PolarHBondContact O-N 3.16Å; V319-Q321 PolarHBondContact O-N 2.7Å; V319-R322 WeakPolarHBondContact O-CB 3.33Å; V319-R322 PolarHBondContact O-N 2.7Å; V319-V323 PolarHBondContact O-N 3.28Å; V319-F350 HydrophobicContact CB-CE1 4.16Å; V319-F350 HydrophobicContact CB-CZ 4.18Å; V319-F350 HydrophobicContact CG1-CD1 4.38Å; V319-F350 HydrophobicContact CG1-CD2 4.16Å; V319-F350 HydrophobicContact CG1-CE1 3.67Å; V319-F350 HydrophobicContact CG1-CE2 3.46Å; V319-F350 VanDerWaalsContact CG1-CE2 3.46Å; V319-F350 HydrophobicContact CG1-CZ 3.22Å |
| 320 | L | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -35.1 | 174.1 | -75.1 | 174.8 | 0 | 0 | 0 | 112.7 | I316 V317 V323 G324 F350 I354 F372 L375 | I316-L320 PolarHBondContact O-N 3.1Å; V317-L320 PolarHBondContact O-N 3.39Å; L320-V323 PolarHBondContact O-N 3.19Å; L320-G324 PolarHBondContact O-N 3.41Å; L320-F350 HydrophobicContact CD2-CB 3.75Å; L320-F350 HydrophobicContact CD2-CD2 4.32Å; L320-F350 HydrophobicContact CD2-CG 4.36Å; L320-F350 HydrophobicContact CG-CB 4.12Å; L320-I354 HydrophobicContact CD1-CD1 3.62Å; L320-F372 HydrophobicContact CD1-CE1 4.04Å; L320-L375 HydrophobicContact CD2-CD2 4.07Å |
| 321 | Q | 94.3 | Very high | 91 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.5 | -50.5 | 172 | -179.4 | 59.2 | 45.8 | 0 | 0 | 110.8 | V317 D318 V319 V323 G324 D325 R371 H374 | V317-Q321 PolarHBondContact O-N 3.3Å; D318-Q321 VanDerWaalsContact O-CB 3.29Å; D318-Q321 WeakPolarHBondContact O-CB 3.45Å; D318-Q321 PolarHBondContact O-N 2.77Å; V319-Q321 PolarHBondContact O-N 2.7Å; Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.29Å; Q321-G324 CarbonylContact O-C 3.58Å; Q321-G324 WeakPolarHBondContact O-CA 3.45Å; Q321-G324 PolarHBondContact O-N 3.28Å; Q321-D325 PolarHBondContact NE2-OD1 3.03Å; Q321-D325 VanDerWaalsContact O-CG 3.26Å; Q321-D325 PolarHBondContact O-N 3.24Å; Q321-R371 VanDerWaalsContact OE1-NH1 3.13Å; Q321-H374 PolarHBondContact NE2-CD2 3.44Å; Q321-H374 PolarHBondContact NE2-CE1 3.4Å; Q321-H374 VanDerWaalsContact NE2-CE1 3.29Å; Q321-H374 PolarHBondContact NE2-NE2 2.8Å |
| 322 | R | 93.9 | Very high | 91.6 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 28% | 0.275 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -39 | -178.3 | -64.6 | -176.5 | 63.5 | -175.7 | -3.7 | 112.2 | D268 L271 A272 D318 V319 G324 D325 I326 | D268-R322 VanDerWaalsContact CG-NH1 3.34Å; D268-R322 PolarHBondContact O-NH1 2.9Å; D268-R322 PolarHBondContact O-NH2 2.94Å; D268-R322 IonicContact OD1-CZ 3.03Å; D268-R322 IonicContact OD1-NH1 3.53Å; D268-R322 PolarHBondContact OD1-NH1 2.84Å; L271-R322 HydrophobicContact CD1-CB 4.14Å; A272-R322 VanDerWaalsContact N-NH2 3.19Å; D318-R322 PolarHBondContact O-N 3.28Å; V319-R322 WeakPolarHBondContact O-CB 3.33Å; V319-R322 PolarHBondContact O-N 2.7Å; R322-G324 VanDerWaalsContact C-N 3.33Å; R322-D325 PolarHBondContact O-N 3.39Å; R322-I326 WeakPolarHBondContact O-CG1 3.38Å; R322-I326 PolarHBondContact O-N 3.18Å |
| 323 | V | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -43.5 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | L271 V319 L320 Q321 D325 I326 L327 V343 A347 | L271-V323 HydrophobicContact CD1-CG2 4.08Å; L271-V323 HydrophobicContact CD2-CG2 3.89Å; V319-V323 PolarHBondContact O-N 3.28Å; L320-V323 PolarHBondContact O-N 3.19Å; Q321-V323 VanDerWaalsContact C-N 3.31Å; Q321-V323 PolarHBondContact O-N 3.29Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.26Å; V323-I326 PolarHBondContact O-N 3.09Å; V323-L327 HydrophobicContact CG1-CD1 4.24Å; V323-L327 HydrophobicContact CG1-CG 4.43Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.43Å; V323-L327 PolarHBondContact O-N 3.28Å; V323-V343 HydrophobicContact CG1-CG1 4.01Å; V323-A347 HydrophobicContact CG1-CB 3.96Å |
| 324 | G | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L320 Q321 R322 L327 L328 A378 | L320-G324 PolarHBondContact O-N 3.41Å; Q321-G324 CarbonylContact O-C 3.58Å; Q321-G324 WeakPolarHBondContact O-CA 3.45Å; Q321-G324 PolarHBondContact O-N 3.28Å; R322-G324 VanDerWaalsContact C-N 3.33Å; G324-L327 PolarHBondContact O-N 3.27Å; G324-L328 VanDerWaalsContact O-CG 3.31Å; G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.13Å; G324-A378 WeakPolarHBondContact O-CB 3.5Å |
| 325 | D | 95.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.4 | -61.2 | -26.8 | 0 | 0 | 0 | 111.9 | Q321 R322 V323 L327 L328 Q329 H374 | Q321-D325 PolarHBondContact NE2-OD1 3.03Å; Q321-D325 VanDerWaalsContact O-CG 3.26Å; Q321-D325 PolarHBondContact O-N 3.24Å; R322-D325 PolarHBondContact O-N 3.39Å; V323-D325 VanDerWaalsContact C-N 3.29Å; V323-D325 PolarHBondContact O-N 3.26Å; D325-L327 VanDerWaalsContact C-N 3.35Å; D325-L327 PolarHBondContact O-N 3.39Å; D325-L328 PolarHBondContact O-N 3.41Å; D325-Q329 PolarHBondContact O-N 3.08Å; D325-H374 PolarHBondContact N-NE2 2.92Å; D325-H374 IonicContact OD1-CD2 3.29Å; D325-H374 IonicContact OD1-CE1 2.97Å; D325-H374 PolarHBondContact OD1-CE1 3.38Å; D325-H374 VanDerWaalsContact OD1-CE1 3.28Å; D325-H374 IonicContact OD1-NE2 2.84Å; D325-H374 PolarHBondContact OD1-NE2 3.05Å |
| 326 | I | 93.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 174 | -66.9 | 160.3 | 0 | 0 | 0 | 110.5 | L271 C274 R322 V323 L328 Q329 F332 | L271-I326 HydrophobicContact CB-CD1 3.94Å; L271-I326 HydrophobicContact CD2-CD1 3.69Å; L271-I326 HydrophobicContact CG-CD1 4.37Å; L271-I326 WeakPolarHBondContact O-CD1 3.42Å; C274-I326 HydrophobicContact CB-CD1 3.88Å; C274-I326 HydrophobicContact CB-CG2 4.39Å; R322-I326 WeakPolarHBondContact O-CG1 3.38Å; R322-I326 PolarHBondContact O-N 3.18Å; V323-I326 PolarHBondContact O-N 3.09Å; I326-L328 PolarHBondContact O-N 3.47Å; I326-Q329 WeakPolarHBondContact O-CB 3.34Å; I326-Q329 PolarHBondContact O-N 2.7Å; I326-Q329 VanDerWaalsContact O-N 3.15Å; I326-F332 HydrophobicContact CG2-CD2 4.06Å; I326-F332 HydrophobicContact CG2-CE2 4.29Å |
| 327 | L | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -23.9 | 176 | -69.7 | 175.7 | 0 | 0 | 0 | 112.4 | V323 G324 D325 F332 L344 L375 A378 L379 Q382 | V323-L327 HydrophobicContact CG1-CD1 4.24Å; V323-L327 HydrophobicContact CG1-CG 4.43Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.43Å; V323-L327 PolarHBondContact O-N 3.28Å; G324-L327 PolarHBondContact O-N 3.27Å; D325-L327 VanDerWaalsContact C-N 3.35Å; D325-L327 PolarHBondContact O-N 3.39Å; L327-F332 HydrophobicContact CD2-CD1 4.01Å; L327-F332 HydrophobicContact CD2-CD2 4.21Å; L327-F332 HydrophobicContact CD2-CE1 3.43Å; L327-F332 VanDerWaalsContact CD2-CE1 3.43Å; L327-F332 HydrophobicContact CD2-CE2 3.67Å; L327-F332 HydrophobicContact CD2-CG 4.38Å; L327-F332 HydrophobicContact CD2-CZ 3.25Å; L327-L344 HydrophobicContact CD1-CD2 4.18Å; L327-L344 HydrophobicContact CD2-CD2 4.04Å; L327-L375 HydrophobicContact CD1-CD1 3.54Å; L327-A378 HydrophobicContact CB-CB 3.6Å; L327-A378 HydrophobicContact CD1-CB 4.32Å; L327-L379 HydrophobicContact CD1-CD2 4.02Å; L327-L379 HydrophobicContact CD1-CG 4.48Å; L327-Q382 WeakPolarHBondContact O-CG 3.31Å; L327-Q382 PolarHBondContact O-NE2 3.43Å |
| 328 | L | 93.7 | Very high | 91.3 | Very high | 50 Ų | 50 | 43.8 Ų | 43.8 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -84.1 | -14.2 | 177.4 | -74.3 | 172.5 | 0 | 0 | 0 | 113.9 | G324 D325 I326 H374 A378 R381 | G324-L328 VanDerWaalsContact O-CG 3.31Å; G324-L328 WeakPolarHBondContact O-CG 3.36Å; G324-L328 PolarHBondContact O-N 3.13Å; D325-L328 PolarHBondContact O-N 3.41Å; I326-L328 PolarHBondContact O-N 3.47Å; L328-H374 WeakPolarHBondContact CD1-CE1 3.43Å; L328-A378 HydrophobicContact CD2-CB 3.84Å; L328-A378 HydrophobicContact CG-CB 3.71Å; L328-R381 HydrophobicContact CD2-CB 4.29Å; L328-R381 HydrophobicContact CD2-CG 4.49Å |
| 329 | Q | 92.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -61 | 140.2 | 178.1 | -70.4 | 174.2 | -55.6 | 0 | 0 | 111.1 | S275 T278 D279 D325 I326 N331 F332 Q382 | S275-Q329 PolarHBondContact O-NE2 2.69Å; S275-Q329 PolarHBondContact OG-NE2 3.38Å; T278-Q329 HydrophobicContact CG2-CB 3.56Å; T278-Q329 HydrophobicContact CG2-CG 4.36Å; T278-Q329 PolarHBondContact OG1-OE1 3.39Å; D279-Q329 VanDerWaalsContact CG-NE2 3.27Å; D279-Q329 PolarHBondContact OD1-NE2 3.18Å; D279-Q329 PolarHBondContact OD2-NE2 2.99Å; D325-Q329 PolarHBondContact O-N 3.08Å; I326-Q329 WeakPolarHBondContact O-CB 3.34Å; I326-Q329 PolarHBondContact O-N 2.7Å; I326-Q329 VanDerWaalsContact O-N 3.15Å; Q329-N331 VanDerWaalsContact C-N 3.25Å; Q329-N331 PolarHBondContact O-N 3.43Å; Q329-F332 WeakPolarHBondContact O-CB 3.19Å; Q329-F332 PolarHBondContact O-N 3.27Å; Q329-Q382 PolarHBondContact O-NE2 2.97Å |
| 330 | E | 87.5 | Confident | 91.3 | Very high | 160 Ų | 160 | 44 Ų | 44 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36.3 | -173.1 | -174.2 | 176.9 | 172.1 | 0 | 0 | 112.7 | ||
| 331 | N | 89.6 | Confident | 91.3 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.1 | -176.1 | -72.5 | -29.6 | 0 | 0 | 0 | 113.8 | T278 A281 Q329 S333 K334 | T278-N331 HydrophobicContact CG2-CB 4.11Å; T278-N331 WeakPolarHBondContact O-CB 3.22Å; T278-N331 PolarHBondContact O-ND2 3.36Å; A281-N331 HydrophobicContact CB-CB 3.74Å; Q329-N331 VanDerWaalsContact C-N 3.25Å; Q329-N331 PolarHBondContact O-N 3.43Å; N331-S333 PolarHBondContact O-N 3.3Å; N331-K334 HydrophobicContact CB-CD 4.43Å; N331-K334 WeakPolarHBondContact O-CB 3.21Å; N331-K334 PolarHBondContact O-N 3.43Å; N331-K334 WeakPolarHBondContact OD1-CE 3.39Å; N331-K334 PolarHBondContact OD1-NZ 2.91Å |
| 332 | F | 89.7 | Confident | 91.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.7 | -40.7 | -179.2 | -180 | -97.1 | 0 | 0 | 0 | 111.7 | T278 I326 L327 Q329 K334 L335 R340 V343 Q382 V384 | T278-F332 HydrophobicContact CG2-CB 4.13Å; I326-F332 HydrophobicContact CG2-CD2 4.06Å; I326-F332 HydrophobicContact CG2-CE2 4.29Å; L327-F332 HydrophobicContact CD2-CD1 4.01Å; L327-F332 HydrophobicContact CD2-CD2 4.21Å; L327-F332 HydrophobicContact CD2-CE1 3.43Å; L327-F332 VanDerWaalsContact CD2-CE1 3.43Å; L327-F332 HydrophobicContact CD2-CE2 3.67Å; L327-F332 HydrophobicContact CD2-CG 4.38Å; L327-F332 HydrophobicContact CD2-CZ 3.25Å; Q329-F332 WeakPolarHBondContact O-CB 3.19Å; Q329-F332 PolarHBondContact O-N 3.27Å; F332-K334 PolarHBondContact O-N 2.81Å; F332-L335 HydrophobicContact CD2-CD1 3.65Å; F332-L335 HydrophobicContact CE2-CD1 3.91Å; F332-L335 HydrophobicContact CG-CD1 4.46Å; F332-L335 WeakPolarHBondContact O-CB 3.43Å; F332-L335 WeakPolarHBondContact O-CG 3.33Å; F332-L335 PolarHBondContact O-N 3Å; F332-L335 VanDerWaalsContact O-N 3.16Å; F332-R340 HydrophobicContact CE1-CB 4.24Å; F332-R340 HydrophobicContact CE1-CG 3.99Å; F332-R340 HydrophobicContact CE2-CG 4.26Å; F332-R340 HydrophobicContact CZ-CB 3.87Å; F332-R340 HydrophobicContact CZ-CG 3.78Å; F332-R340 VanDerWaalsContact O-CD 3.25Å; F332-R340 WeakPolarHBondContact O-CD 3.47Å; F332-V343 HydrophobicContact CE2-CG1 4.33Å; F332-Q382 HydrophobicContact CD1-CG 4Å; F332-V384 HydrophobicContact CE1-CG2 4.46Å |
| 333 | S | 85.9 | Confident | 91.2 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -61.1 | -23.2 | 176.8 | 62 | 0 | 0 | 0 | 0 | 114.7 | N331 R340 | N331-S333 PolarHBondContact O-N 3.3Å; S333-R340 PolarHBondContact O-NH1 2.96Å; S333-R340 VanDerWaalsContact O-NH1 3.16Å |
| 334 | K | 86.3 | Confident | 91.2 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 60% | 0.6 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -86.9 | -12.7 | 179.9 | -60.1 | 177.7 | -174.8 | 162.1 | 0 | 113.3 | A281 N331 F332 | A281-K334 HydrophobicContact CB-CB 4.35Å; N331-K334 HydrophobicContact CB-CD 4.43Å; N331-K334 WeakPolarHBondContact O-CB 3.21Å; N331-K334 PolarHBondContact O-N 3.43Å; N331-K334 WeakPolarHBondContact OD1-CE 3.39Å; N331-K334 PolarHBondContact OD1-NZ 2.91Å; F332-K334 PolarHBondContact O-N 2.81Å |
| 335 | L | 87 | Confident | 91 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -61.9 | 151.4 | 176.3 | -66.6 | 177.7 | 0 | 0 | 0 | 111.3 | L277 T278 F332 S337 L339 R340 | L277-L335 HydrophobicContact CD2-CD2 4.37Å; L277-L335 HydrophobicContact CG-CD2 4.36Å; T278-L335 HydrophobicContact CG2-CD1 4.42Å; T278-L335 WeakPolarHBondContact OG1-CD1 3.16Å; F332-L335 HydrophobicContact CD2-CD1 3.65Å; F332-L335 HydrophobicContact CE2-CD1 3.91Å; F332-L335 HydrophobicContact CG-CD1 4.46Å; F332-L335 WeakPolarHBondContact O-CB 3.43Å; F332-L335 WeakPolarHBondContact O-CG 3.33Å; F332-L335 PolarHBondContact O-N 3Å; F332-L335 VanDerWaalsContact O-N 3.16Å; L335-S337 PolarHBondContact O-N 3.21Å; L335-L339 HydrophobicContact CD1-CD2 4.15Å; L335-L339 HydrophobicContact CD2-CD2 4.36Å; L335-R340 HydrophobicContact CB-CG 3.73Å; L335-R340 HydrophobicContact CD1-CG 4.47Å; L335-R340 PolarHBondContact O-NE 2.79Å |
| 336 | E | 88.6 | Confident | 90.8 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 31% | 0.308 | 21% | 0.212 | S | C | . | . | trans | -51.7 | 137.2 | 171.3 | -70.5 | -72.7 | 157.3 | 0 | 0 | 110.7 | R286 A289 C338 L339 R340 | R286-E336 HydrophobicContact CB-CG 4.41Å; R286-E336 VanDerWaalsContact CD-OE1 3.32Å; R286-E336 WeakPolarHBondContact CD-OE1 3.45Å; R286-E336 HydrophobicContact CG-CG 4.05Å; R286-E336 VanDerWaalsContact CG-OE1 3.31Å; R286-E336 WeakPolarHBondContact CG-OE1 3.46Å; R286-E336 IonicContact NE-OE1 3.06Å; R286-E336 IonicContact NE-OE2 2.66Å; A289-E336 HydrophobicContact CB-CB 3.72Å; A289-E336 HydrophobicContact CB-CG 3.75Å; E336-C338 PolarHBondContact O-N 2.92Å; E336-L339 PolarHBondContact O-N 3.4Å; E336-L339 VanDerWaalsContact O-N 3.08Å; E336-R340 PolarHBondContact O-N 2.81Å; E336-R340 VanDerWaalsContact O-N 3.13Å | ||
| 337 | S | 89.4 | Confident | 90.8 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.6 | -33.8 | -173.7 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | L335 R340 T341 | L335-S337 PolarHBondContact O-N 3.21Å; S337-R340 PolarHBondContact O-N 3.43Å; S337-T341 WeakPolarHBondContact O-CB 3.46Å; S337-T341 PolarHBondContact O-N 3.35Å; S337-T341 PolarHBondContact O-OG1 3.44Å |
| 338 | C | 91.6 | Very high | 90.8 | Very high | 41 Ų | 41 | 43 Ų | 43 | 28% | 0.277 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.5 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | E336 T341 S342 | E336-C338 PolarHBondContact O-N 2.92Å; C338-T341 WeakPolarHBondContact O-CB 3.39Å; C338-T341 PolarHBondContact O-N 2.85Å; C338-S342 WeakPolarHBondContact O-CB 3.38Å; C338-S342 PolarHBondContact O-N 3.43Å; C338-S342 PolarHBondContact O-OG 3.19Å |
| 339 | L | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -44.4 | 179.5 | 179.9 | 61.3 | 0 | 0 | 0 | 111.4 | L277 A289 L292 L296 L335 E336 T341 S342 V343 | L277-L339 HydrophobicContact CD2-CD2 3.42Å; L277-L339 VanDerWaalsContact CD2-CD2 3.42Å; A289-L339 HydrophobicContact CB-CB 4.13Å; A289-L339 HydrophobicContact CB-CD2 4.05Å; L292-L339 HydrophobicContact CB-CD1 4.07Å; L292-L339 HydrophobicContact CD2-CD1 3.89Å; L292-L339 HydrophobicContact CD2-CD2 4.09Å; L292-L339 HydrophobicContact CG-CD1 3.84Å; L296-L339 HydrophobicContact CD1-CD1 3.94Å; L335-L339 HydrophobicContact CD1-CD2 4.15Å; L335-L339 HydrophobicContact CD2-CD2 4.36Å; E336-L339 PolarHBondContact O-N 3.4Å; E336-L339 VanDerWaalsContact O-N 3.08Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.43Å; L339-S342 PolarHBondContact O-N 3.16Å; L339-S342 VanDerWaalsContact O-N 3.08Å; L339-V343 HydrophobicContact CD1-CG2 4.09Å; L339-V343 HydrophobicContact CG-CG2 4.31Å; L339-V343 WeakPolarHBondContact O-CG2 3.47Å; L339-V343 PolarHBondContact O-N 3.18Å |
| 340 | R | 91.8 | Very high | 90.5 | Very high | 73 Ų | 73 | 40 Ų | 40 | 28% | 0.275 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.8 | -46 | 175.8 | -65.1 | -172.1 | -66.3 | 169.5 | -4.3 | 111.5 | F332 S333 L335 E336 S337 S342 V343 L344 | F332-R340 HydrophobicContact CE1-CB 4.24Å; F332-R340 HydrophobicContact CE1-CG 3.99Å; F332-R340 HydrophobicContact CE2-CG 4.26Å; F332-R340 HydrophobicContact CZ-CB 3.87Å; F332-R340 HydrophobicContact CZ-CG 3.78Å; F332-R340 VanDerWaalsContact O-CD 3.25Å; F332-R340 WeakPolarHBondContact O-CD 3.47Å; S333-R340 PolarHBondContact O-NH1 2.96Å; S333-R340 VanDerWaalsContact O-NH1 3.16Å; L335-R340 HydrophobicContact CB-CG 3.73Å; L335-R340 HydrophobicContact CD1-CG 4.47Å; L335-R340 PolarHBondContact O-NE 2.79Å; E336-R340 PolarHBondContact O-N 2.81Å; E336-R340 VanDerWaalsContact O-N 3.13Å; S337-R340 PolarHBondContact O-N 3.43Å; R340-S342 VanDerWaalsContact C-N 3.35Å; R340-S342 PolarHBondContact O-N 3.06Å; R340-V343 PolarHBondContact O-N 2.87Å; R340-L344 WeakPolarHBondContact O-CG 3.27Å; R340-L344 PolarHBondContact O-N 3.47Å |
| 341 | T | 92.6 | Very high | 90.7 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 175.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | S337 C338 L339 L344 Q345 P388 | S337-T341 WeakPolarHBondContact O-CB 3.46Å; S337-T341 PolarHBondContact O-N 3.35Å; S337-T341 PolarHBondContact O-OG1 3.44Å; C338-T341 WeakPolarHBondContact O-CB 3.39Å; C338-T341 PolarHBondContact O-N 2.85Å; L339-T341 VanDerWaalsContact C-N 3.27Å; L339-T341 PolarHBondContact O-N 3.43Å; T341-L344 PolarHBondContact O-N 2.81Å; T341-Q345 HydrophobicContact CG2-CG 4.49Å; T341-Q345 WeakPolarHBondContact O-CG 3.48Å; T341-Q345 PolarHBondContact O-N 3.41Å; T341-P388 HydrophobicContact CG2-CG 3.93Å |
| 342 | S | 92.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.1 | -40.2 | -177.7 | -51 | 0 | 0 | 0 | 0 | 111.7 | S293 D297 C338 L339 R340 L344 Q345 F346 | S293-S342 WeakPolarHBondContact CA-OG 3.05Å; S293-S342 WeakPolarHBondContact CB-OG 3.42Å; S293-S342 PolarHBondContact OG-OG 3.16Å; D297-S342 PolarHBondContact OD1-OG 3.3Å; C338-S342 WeakPolarHBondContact O-CB 3.38Å; C338-S342 PolarHBondContact O-N 3.43Å; C338-S342 PolarHBondContact O-OG 3.19Å; L339-S342 PolarHBondContact O-N 3.16Å; L339-S342 VanDerWaalsContact O-N 3.08Å; R340-S342 VanDerWaalsContact C-N 3.35Å; R340-S342 PolarHBondContact O-N 3.06Å; S342-L344 VanDerWaalsContact C-N 3.32Å; S342-L344 PolarHBondContact O-N 3.42Å; S342-Q345 PolarHBondContact O-N 3.34Å; S342-F346 VanDerWaalsContact O-CB 3.23Å; S342-F346 WeakPolarHBondContact O-CB 3.29Å; S342-F346 PolarHBondContact O-N 3.1Å |
| 343 | V | 93.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | L296 V323 F332 L339 R340 F346 A347 | L296-V343 HydrophobicContact CD1-CG2 3.9Å; V323-V343 HydrophobicContact CG1-CG1 4.01Å; F332-V343 HydrophobicContact CE2-CG1 4.33Å; L339-V343 HydrophobicContact CD1-CG2 4.09Å; L339-V343 HydrophobicContact CG-CG2 4.31Å; L339-V343 WeakPolarHBondContact O-CG2 3.47Å; L339-V343 PolarHBondContact O-N 3.18Å; R340-V343 PolarHBondContact O-N 2.87Å; V343-F346 WeakPolarHBondContact O-CB 3.39Å; V343-F346 PolarHBondContact O-N 3.25Å; V343-A347 PolarHBondContact O-N 3.08Å |
| 344 | L | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | 177 | -66.3 | 168.2 | 0 | 0 | 0 | 112.5 | L327 R340 T341 S342 F346 A347 L348 L379 V384 D386 P388 A389 L392 | L327-L344 HydrophobicContact CD1-CD2 4.18Å; L327-L344 HydrophobicContact CD2-CD2 4.04Å; R340-L344 WeakPolarHBondContact O-CG 3.27Å; R340-L344 PolarHBondContact O-N 3.47Å; T341-L344 PolarHBondContact O-N 2.81Å; S342-L344 VanDerWaalsContact C-N 3.32Å; S342-L344 PolarHBondContact O-N 3.42Å; L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.28Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.41Å; L344-L348 PolarHBondContact O-N 3.21Å; L344-L379 HydrophobicContact CD2-CD2 3.53Å; L344-V384 HydrophobicContact CD1-CG1 3.75Å; L344-D386 WeakPolarHBondContact CD1-OD1 3.41Å; L344-P388 HydrophobicContact CB-CB 3.6Å; L344-P388 HydrophobicContact CD1-CB 4.31Å; L344-A389 HydrophobicContact CD1-CB 4.23Å; L344-L392 HydrophobicContact CD2-CD2 4.36Å |
| 345 | Q | 91.8 | Very high | 91 | Very high | 71 Ų | 71 | 30.9 Ų | 30.9 | 33% | 0.332 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.3 | -33.5 | 173.1 | -72.7 | 177.7 | -8.7 | 0 | 0 | 111.9 | T341 S342 L348 S349 P388 | T341-Q345 HydrophobicContact CG2-CG 4.49Å; T341-Q345 WeakPolarHBondContact O-CG 3.48Å; T341-Q345 PolarHBondContact O-N 3.41Å; S342-Q345 PolarHBondContact O-N 3.34Å; Q345-L348 WeakPolarHBondContact O-CB 3.41Å; Q345-L348 PolarHBondContact O-N 2.95Å; Q345-S349 PolarHBondContact O-N 3.41Å; Q345-S349 PolarHBondContact O-OG 2.93Å; Q345-P388 HydrophobicContact CG-CB 4.14Å; Q345-P388 HydrophobicContact CG-CG 4.16Å |
| 346 | F | 91.3 | Very high | 91 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 173.7 | -163.3 | -116.7 | 0 | 0 | 0 | 110.8 | I267 L271 L296 C299 F308 S342 V343 L344 L348 S349 F350 | I267-F346 HydrophobicContact CB-CZ 4.43Å; I267-F346 HydrophobicContact CG1-CZ 3.96Å; I267-F346 HydrophobicContact CG2-CE1 4.15Å; I267-F346 HydrophobicContact CG2-CZ 4.17Å; L271-F346 HydrophobicContact CD1-CE1 4.43Å; L271-F346 HydrophobicContact CD2-CD1 4.14Å; L271-F346 HydrophobicContact CD2-CE1 4.07Å; L271-F346 HydrophobicContact CG-CE1 4.26Å; L296-F346 HydrophobicContact CB-CD2 4.39Å; L296-F346 HydrophobicContact CD2-CB 4.43Å; L296-F346 HydrophobicContact CD2-CD1 3.9Å; L296-F346 HydrophobicContact CD2-CD2 3.79Å; L296-F346 HydrophobicContact CD2-CE1 3.97Å; L296-F346 HydrophobicContact CD2-CE2 3.89Å; L296-F346 HydrophobicContact CD2-CG 3.81Å; L296-F346 HydrophobicContact CD2-CZ 3.96Å; C299-F346 HydrophobicContact CB-CE2 3.9Å; F308-F346 AromaticContact CZ-CE2 3.96Å; F308-F346 HydrophobicContact CZ-CE2 3.96Å; F308-F346 HydrophobicContact CZ-CZ 4.42Å; S342-F346 VanDerWaalsContact O-CB 3.23Å; S342-F346 WeakPolarHBondContact O-CB 3.29Å; S342-F346 PolarHBondContact O-N 3.1Å; V343-F346 WeakPolarHBondContact O-CB 3.39Å; V343-F346 PolarHBondContact O-N 3.25Å; L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.28Å; F346-L348 VanDerWaalsContact C-N 3.34Å; F346-L348 PolarHBondContact O-N 3.27Å; F346-S349 WeakPolarHBondContact O-CB 3.46Å; F346-S349 PolarHBondContact O-N 3.3Å; F346-S349 VanDerWaalsContact O-N 3.16Å; F346-F350 HydrophobicContact CD1-CD2 4.46Å; F346-F350 AromaticContact CD1-CE2 3.45Å; F346-F350 HydrophobicContact CD1-CE2 3.45Å; F346-F350 VanDerWaalsContact CD1-CE2 3.45Å; F346-F350 HydrophobicContact CD1-CZ 4.05Å; F346-F350 AromaticContact CE1-CE2 3.44Å; F346-F350 HydrophobicContact CE1-CE2 3.44Å; F346-F350 VanDerWaalsContact CE1-CE2 3.44Å; F346-F350 AromaticContact CE1-CZ 3.55Å; F346-F350 HydrophobicContact CE1-CZ 3.55Å; F346-F350 HydrophobicContact CG-CE2 4.1Å; F346-F350 HydrophobicContact CZ-CE2 4.09Å; F346-F350 AromaticContact CZ-CZ 3.83Å; F346-F350 HydrophobicContact CZ-CZ 3.83Å; F346-F350 WeakPolarHBondContact O-CD2 3.33Å; F346-F350 PolarHBondContact O-N 3.07Å |
| 347 | A | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V323 V343 L344 S349 F350 T351 L392 | V323-A347 HydrophobicContact CG1-CB 3.96Å; V343-A347 PolarHBondContact O-N 3.08Å; L344-A347 WeakPolarHBondContact O-CB 3.31Å; L344-A347 PolarHBondContact O-N 3.41Å; A347-S349 VanDerWaalsContact C-N 3.25Å; A347-S349 PolarHBondContact O-N 3.2Å; A347-F350 WeakPolarHBondContact O-CB 3.37Å; A347-F350 PolarHBondContact O-N 2.91Å; A347-F350 VanDerWaalsContact O-N 3.12Å; A347-T351 PolarHBondContact O-N 3.06Å; A347-T351 VanDerWaalsContact O-N 3.14Å; A347-L392 HydrophobicContact CB-CD1 3.93Å; A347-L392 HydrophobicContact CB-CD2 3.62Å; A347-L392 HydrophobicContact CB-CG 4.42Å |
| 348 | L | 92.1 | Very high | 90.8 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 177.5 | -177.6 | 68 | 0 | 0 | 0 | 112 | L344 Q345 F346 F350 T351 Y352 A391 L392 D395 | L344-L348 PolarHBondContact O-N 3.21Å; Q345-L348 WeakPolarHBondContact O-CB 3.41Å; Q345-L348 PolarHBondContact O-N 2.95Å; F346-L348 VanDerWaalsContact C-N 3.34Å; F346-L348 PolarHBondContact O-N 3.27Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 3.42Å; L348-T351 WeakPolarHBondContact CA-OG1 3.37Å; L348-T351 PolarHBondContact O-N 3.36Å; L348-T351 PolarHBondContact O-OG1 2.89Å; L348-Y352 PolarHBondContact O-N 3.41Å; L348-A391 HydrophobicContact CD1-CB 4Å; L348-A391 HydrophobicContact CD2-CB 3.96Å; L348-L392 HydrophobicContact CD1-CB 4.49Å; L348-D395 HydrophobicContact CD1-CB 4.47Å; L348-D395 WeakPolarHBondContact CD1-OD2 3.34Å |
| 349 | S | 90.2 | Very high | 90.5 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 12% | 0.119 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | C300 Q345 F346 A347 Y352 C353 | C300-S349 PolarHBondContact SG-OG 3.43Å; Q345-S349 PolarHBondContact O-N 3.41Å; Q345-S349 PolarHBondContact O-OG 2.93Å; F346-S349 WeakPolarHBondContact O-CB 3.46Å; F346-S349 PolarHBondContact O-N 3.3Å; F346-S349 VanDerWaalsContact O-N 3.16Å; A347-S349 VanDerWaalsContact C-N 3.25Å; A347-S349 PolarHBondContact O-N 3.2Å; S349-Y352 PolarHBondContact O-N 3.46Å; S349-C353 PolarHBondContact O-N 2.83Å; S349-C353 PolarHBondContact O-SG 3.46Å |
| 350 | F | 90.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 173.9 | -67.3 | -68 | 0 | 0 | 0 | 112.8 | I267 F308 I316 V319 L320 F346 A347 L348 Y352 C353 I354 | I267-F350 HydrophobicContact CD1-CE1 4.16Å; I267-F350 HydrophobicContact CD1-CZ 4.32Å; I267-F350 HydrophobicContact CG1-CZ 4.46Å; I267-F350 HydrophobicContact CG2-CE1 4.45Å; I267-F350 HydrophobicContact CG2-CZ 3.85Å; F308-F350 AromaticContact CD1-CD1 3.87Å; F308-F350 HydrophobicContact CD1-CD1 3.87Å; F308-F350 AromaticContact CD1-CE1 3.8Å; F308-F350 HydrophobicContact CD1-CE1 3.8Å; F308-F350 AromaticContact CE1-CD1 3.46Å; F308-F350 HydrophobicContact CE1-CD1 3.46Å; F308-F350 VanDerWaalsContact CE1-CD1 3.46Å; F308-F350 AromaticContact CE1-CE1 3.17Å; F308-F350 HydrophobicContact CE1-CE1 3.17Å; F308-F350 HydrophobicContact CE1-CE2 4.38Å; F308-F350 HydrophobicContact CE1-CG 4.2Å; F308-F350 AromaticContact CE1-CZ 3.64Å; F308-F350 HydrophobicContact CE1-CZ 3.64Å; F308-F350 HydrophobicContact CZ-CE1 4.16Å; F308-F350 HydrophobicContact CZ-CZ 4.22Å; I316-F350 HydrophobicContact CB-CD1 4.46Å; I316-F350 HydrophobicContact CG1-CD1 4.46Å; I316-F350 HydrophobicContact CG2-CB 3.87Å; I316-F350 HydrophobicContact CG2-CD1 3.8Å; I316-F350 HydrophobicContact CG2-CG 4.24Å; V319-F350 HydrophobicContact CB-CE1 4.16Å; V319-F350 HydrophobicContact CB-CZ 4.18Å; V319-F350 HydrophobicContact CG1-CD1 4.38Å; V319-F350 HydrophobicContact CG1-CD2 4.16Å; V319-F350 HydrophobicContact CG1-CE1 3.67Å; V319-F350 HydrophobicContact CG1-CE2 3.46Å; V319-F350 VanDerWaalsContact CG1-CE2 3.46Å; V319-F350 HydrophobicContact CG1-CZ 3.22Å; L320-F350 HydrophobicContact CD2-CB 3.75Å; L320-F350 HydrophobicContact CD2-CD2 4.32Å; L320-F350 HydrophobicContact CD2-CG 4.36Å; L320-F350 HydrophobicContact CG-CB 4.12Å; F346-F350 HydrophobicContact CD1-CD2 4.46Å; F346-F350 AromaticContact CD1-CE2 3.45Å; F346-F350 HydrophobicContact CD1-CE2 3.45Å; F346-F350 VanDerWaalsContact CD1-CE2 3.45Å; F346-F350 HydrophobicContact CD1-CZ 4.05Å; F346-F350 AromaticContact CE1-CE2 3.44Å; F346-F350 HydrophobicContact CE1-CE2 3.44Å; F346-F350 VanDerWaalsContact CE1-CE2 3.44Å; F346-F350 AromaticContact CE1-CZ 3.55Å; F346-F350 HydrophobicContact CE1-CZ 3.55Å; F346-F350 HydrophobicContact CG-CE2 4.1Å; F346-F350 HydrophobicContact CZ-CE2 4.09Å; F346-F350 AromaticContact CZ-CZ 3.83Å; F346-F350 HydrophobicContact CZ-CZ 3.83Å; F346-F350 WeakPolarHBondContact O-CD2 3.33Å; F346-F350 PolarHBondContact O-N 3.07Å; A347-F350 WeakPolarHBondContact O-CB 3.37Å; A347-F350 PolarHBondContact O-N 2.91Å; A347-F350 VanDerWaalsContact O-N 3.12Å; L348-F350 VanDerWaalsContact C-N 3.3Å; L348-F350 PolarHBondContact O-N 3.42Å; F350-Y352 VanDerWaalsContact C-N 3.29Å; F350-Y352 PolarHBondContact O-N 3.34Å; F350-C353 WeakPolarHBondContact O-CB 3.42Å; F350-C353 PolarHBondContact O-N 3.03Å; F350-C353 VanDerWaalsContact O-N 3.15Å; F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 2.96Å |
| 351 | T | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 175.6 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | A347 L348 I354 Q355 F372 L392 D395 I396 I399 | A347-T351 PolarHBondContact O-N 3.06Å; A347-T351 VanDerWaalsContact O-N 3.14Å; L348-T351 WeakPolarHBondContact CA-OG1 3.37Å; L348-T351 PolarHBondContact O-N 3.36Å; L348-T351 PolarHBondContact O-OG1 2.89Å; T351-I354 PolarHBondContact O-N 3.37Å; T351-Q355 WeakPolarHBondContact O-CG 3.15Å; T351-Q355 PolarHBondContact O-N 3.32Å; T351-Q355 PolarHBondContact O-NE2 3.3Å; T351-F372 HydrophobicContact CG2-CE1 4.38Å; T351-L392 HydrophobicContact CG2-CD1 3.61Å; T351-D395 HydrophobicContact CG2-CB 4.35Å; T351-D395 WeakPolarHBondContact OG1-CB 3.45Å; T351-D395 PolarHBondContact OG1-OD2 2.9Å; T351-I396 HydrophobicContact CG2-CG1 4.18Å; T351-I399 WeakPolarHBondContact O-CD1 3.48Å |
| 352 | Y | 89.6 | Confident | 89.9 | Confident | 120 Ų | 120 | 42.3 Ų | 42.3 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 170.5 | 177.1 | -109.7 | 0 | 0 | 0 | 112 | F304 L348 S349 F350 I354 Q355 L356 | F304-Y352 AromaticContact CE1-CD1 3.9Å; F304-Y352 HydrophobicContact CE1-CD1 3.9Å; F304-Y352 AromaticContact CE1-CE1 3.74Å; F304-Y352 HydrophobicContact CE1-CE1 3.74Å; F304-Y352 HydrophobicContact CE2-CD1 4.16Å; F304-Y352 AromaticContact CZ-CD1 3.4Å; F304-Y352 HydrophobicContact CZ-CD1 3.4Å; F304-Y352 AromaticContact CZ-CE1 3.75Å; F304-Y352 HydrophobicContact CZ-CE1 3.75Å; L348-Y352 PolarHBondContact O-N 3.41Å; S349-Y352 PolarHBondContact O-N 3.46Å; F350-Y352 VanDerWaalsContact C-N 3.29Å; F350-Y352 PolarHBondContact O-N 3.34Å; Y352-I354 VanDerWaalsContact C-N 3.34Å; Y352-I354 PolarHBondContact O-N 3.46Å; Y352-Q355 WeakPolarHBondContact O-CB 3.2Å; Y352-Q355 PolarHBondContact O-N 2.97Å; Y352-Q355 VanDerWaalsContact O-N 3.14Å; Y352-L356 HydrophobicContact CE1-CD1 4.25Å |
| 353 | C | 87.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 174.9 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | F304 F308 I316 S349 F350 Q355 L356 Y357 | F304-C353 WeakPolarHBondContact CE2-SG 3.33Å; F304-C353 WeakPolarHBondContact CZ-SG 3.38Å; F308-C353 WeakPolarHBondContact CB-SG 3.46Å; F308-C353 WeakPolarHBondContact CD1-SG 3.45Å; I316-C353 HydrophobicContact CD1-CB 3.81Å; S349-C353 PolarHBondContact O-N 2.83Å; S349-C353 PolarHBondContact O-SG 3.46Å; F350-C353 WeakPolarHBondContact O-CB 3.42Å; F350-C353 PolarHBondContact O-N 3.03Å; F350-C353 VanDerWaalsContact O-N 3.15Å; C353-Q355 PolarHBondContact O-N 3.21Å; C353-L356 VanDerWaalsContact O-CB 3.32Å; C353-L356 WeakPolarHBondContact O-CB 3.47Å; C353-L356 PolarHBondContact O-N 3.19Å; C353-Y357 WeakPolarHBondContact O-CD2 3.48Å |
| 354 | I | 90.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -36 | 178 | -68.4 | 164.7 | 0 | 0 | 0 | 110.6 | L313 I316 L320 F350 T351 Y352 L356 Y357 V362 L368 F372 I399 | L313-I354 HydrophobicContact CD1-CB 4.47Å; L313-I354 HydrophobicContact CD1-CG1 3.85Å; L313-I354 HydrophobicContact CD1-CG2 4.35Å; I316-I354 HydrophobicContact CG2-CD1 4.01Å; I316-I354 HydrophobicContact CG2-CG1 3.79Å; L320-I354 HydrophobicContact CD1-CD1 3.62Å; F350-I354 WeakPolarHBondContact O-CG1 3.34Å; F350-I354 PolarHBondContact O-N 2.96Å; T351-I354 PolarHBondContact O-N 3.37Å; Y352-I354 VanDerWaalsContact C-N 3.34Å; Y352-I354 PolarHBondContact O-N 3.46Å; I354-L356 PolarHBondContact O-N 3.34Å; I354-Y357 PolarHBondContact O-N 3.13Å; I354-V362 HydrophobicContact CG2-CG1 4.08Å; I354-V362 HydrophobicContact CG2-CG2 4.06Å; I354-L368 HydrophobicContact CD1-CD1 3.95Å; I354-F372 HydrophobicContact CD1-CE1 4.36Å; I354-F372 HydrophobicContact CD1-CZ 4.36Å; I354-I399 HydrophobicContact CB-CD1 4.48Å; I354-I399 HydrophobicContact CG2-CD1 4.35Å; I354-I399 HydrophobicContact CG2-CG2 4.2Å |
| 355 | Q | 88.5 | Confident | 89.4 | Confident | 74 Ų | 74 | 49.8 Ų | 49.8 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -16.2 | 177.2 | -63.1 | 170.1 | 40.2 | 0 | 0 | 113.6 | T351 Y352 C353 D395 I399 F456 | T351-Q355 WeakPolarHBondContact O-CG 3.15Å; T351-Q355 PolarHBondContact O-N 3.32Å; T351-Q355 PolarHBondContact O-NE2 3.3Å; Y352-Q355 WeakPolarHBondContact O-CB 3.2Å; Y352-Q355 PolarHBondContact O-N 2.97Å; Y352-Q355 VanDerWaalsContact O-N 3.14Å; C353-Q355 PolarHBondContact O-N 3.21Å; Q355-D395 PolarHBondContact NE2-OD2 3.33Å; Q355-I399 HydrophobicContact CG-CD1 3.86Å; Q355-I399 HydrophobicContact CG-CG1 3.78Å; Q355-F456 HydrophobicContact CG-CZ 4.15Å |
| 356 | L | 87.4 | Confident | 89.4 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 58% | 0.581 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -14.7 | 175.9 | -56.6 | 178.2 | 0 | 0 | 0 | 112.9 | Y352 C353 I354 | Y352-L356 HydrophobicContact CE1-CD1 4.25Å; C353-L356 VanDerWaalsContact O-CB 3.32Å; C353-L356 WeakPolarHBondContact O-CB 3.47Å; C353-L356 PolarHBondContact O-N 3.19Å; I354-L356 PolarHBondContact O-N 3.34Å |
| 357 | Y | 87.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 22% | 0.22 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -80.2 | 156.2 | 177.3 | -80.8 | -90.4 | 0 | 0 | 0 | 111.9 | T311 L313 I316 C353 I354 E361 | T311-Y357 PolarHBondContact O-OH 3Å; L313-Y357 HydrophobicContact CB-CD1 4.11Å; L313-Y357 HydrophobicContact CB-CD2 4.48Å; L313-Y357 HydrophobicContact CB-CE1 3.96Å; L313-Y357 HydrophobicContact CB-CE2 4.33Å; L313-Y357 HydrophobicContact CB-CG 4.38Å; L313-Y357 HydrophobicContact CD1-CD2 4.2Å; L313-Y357 HydrophobicContact CD1-CG 4.41Å; L313-Y357 PolarHBondContact N-OH 3Å; I316-Y357 HydrophobicContact CD1-CE2 3.77Å; C353-Y357 WeakPolarHBondContact O-CD2 3.48Å; I354-Y357 PolarHBondContact O-N 3.13Å; Y357-E361 WeakPolarHBondContact CD1-OE2 3.29Å |
| 358 | L | 86.3 | Confident | 89.5 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 58% | 0.576 | 29% | 0.289 | S | S | * | . | trans | -64 | 141.8 | 172 | -67.2 | 176 | 0 | 0 | 0 | 109.8 | E360 E361 V362 | L358-E360 PolarHBondContact O-N 2.96Å; L358-E361 HydrophobicContact CB-CB 4.48Å; L358-E361 HydrophobicContact CB-CG 4.09Å; L358-E361 PolarHBondContact N-OE2 2.94Å; L358-E361 WeakPolarHBondContact O-CB 3.29Å; L358-E361 PolarHBondContact O-N 3.1Å; L358-V362 WeakPolarHBondContact O-CG2 3.34Å; L358-V362 PolarHBondContact O-N 3.41Å | ||
| 359 | V | 85.1 | Confident | 89.6 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -32.6 | -176.2 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | E361 V362 M363 H402 Q406 | V359-E361 VanDerWaalsContact C-N 3.33Å; V359-E361 PolarHBondContact O-N 3.19Å; V359-V362 PolarHBondContact O-N 3.44Å; V359-M363 HydrophobicContact CG1-CG 4.26Å; V359-M363 HydrophobicContact CG1-SD 4.05Å; V359-M363 WeakPolarHBondContact O-CB 3.44Å; V359-M363 WeakPolarHBondContact O-CG 3.42Å; V359-M363 PolarHBondContact O-N 3.44Å; V359-H402 VanDerWaalsContact CG2-NE2 3.35Å; V359-H402 WeakPolarHBondContact CG2-NE2 3.46Å; V359-Q406 HydrophobicContact CG1-CB 4.47Å; V359-Q406 HydrophobicContact CG1-CG 3.65Å |
| 360 | E | 86.8 | Confident | 89.9 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 64% | 0.64 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.6 | -36.4 | 174.3 | -61.7 | 83.3 | 177.9 | 0 | 0 | 112.9 | L358 A364 | L358-E360 PolarHBondContact O-N 2.96Å; E360-A364 WeakPolarHBondContact O-CB 3.48Å; E360-A364 PolarHBondContact O-N 3.03Å; E360-A364 VanDerWaalsContact O-N 3.12Å |
| 361 | E | 88.7 | Confident | 90.1 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 175.7 | -64.7 | 175 | 148.2 | 0 | 0 | 110.3 | L313 Y357 L358 V359 A364 E365 | L313-E361 WeakPolarHBondContact CD2-O 3.48Å; Y357-E361 WeakPolarHBondContact CD1-OE2 3.29Å; L358-E361 HydrophobicContact CB-CB 4.48Å; L358-E361 HydrophobicContact CB-CG 4.09Å; L358-E361 PolarHBondContact N-OE2 2.94Å; L358-E361 WeakPolarHBondContact O-CB 3.29Å; L358-E361 PolarHBondContact O-N 3.1Å; V359-E361 VanDerWaalsContact C-N 3.33Å; V359-E361 PolarHBondContact O-N 3.19Å; E361-A364 PolarHBondContact O-N 2.74Å; E361-E365 PolarHBondContact O-N 3.13Å |
| 362 | V | 89.3 | Confident | 90.4 | Very high | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | L313 I354 L358 V359 A364 E365 L368 V403 C411 | L313-V362 HydrophobicContact CD2-CG2 4.26Å; I354-V362 HydrophobicContact CG2-CG1 4.08Å; I354-V362 HydrophobicContact CG2-CG2 4.06Å; L358-V362 WeakPolarHBondContact O-CG2 3.34Å; L358-V362 PolarHBondContact O-N 3.41Å; V359-V362 PolarHBondContact O-N 3.44Å; V362-A364 PolarHBondContact O-N 3.25Å; V362-E365 PolarHBondContact O-N 2.64Å; V362-E365 VanDerWaalsContact O-N 3.16Å; V362-L368 HydrophobicContact CG1-CD2 3.43Å; V362-L368 VanDerWaalsContact CG1-CD2 3.43Å; V362-V403 HydrophobicContact CB-CG2 4.46Å; V362-V403 HydrophobicContact CG1-CG2 3.64Å; V362-C411 PolarHBondContact O-SG 3.44Å |
| 363 | M | 89.1 | Confident | 90.7 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -30.5 | 176.4 | -75 | 168 | 63.7 | 0 | 0 | 113 | V359 E365 V403 Q406 A407 T410 | V359-M363 HydrophobicContact CG1-CG 4.26Å; V359-M363 HydrophobicContact CG1-SD 4.05Å; V359-M363 WeakPolarHBondContact O-CB 3.44Å; V359-M363 WeakPolarHBondContact O-CG 3.42Å; V359-M363 PolarHBondContact O-N 3.44Å; M363-E365 VanDerWaalsContact C-N 3.31Å; M363-V403 HydrophobicContact CG-CG1 3.79Å; M363-Q406 HydrophobicContact CE-CB 4.39Å; M363-Q406 HydrophobicContact SD-CB 3.75Å; M363-Q406 HydrophobicContact SD-CG 4.44Å; M363-A407 HydrophobicContact CE-CB 3.65Å; M363-T410 HydrophobicContact CB-CG2 4.41Å; M363-T410 HydrophobicContact CE-CG2 3.71Å; M363-T410 HydrophobicContact CG-CG2 4.01Å |
| 364 | A | 89 | Confident | 91.1 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -75.8 | -18.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E360 E361 V362 R366 | E360-A364 WeakPolarHBondContact O-CB 3.48Å; E360-A364 PolarHBondContact O-N 3.03Å; E360-A364 VanDerWaalsContact O-N 3.12Å; E361-A364 PolarHBondContact O-N 2.74Å; V362-A364 PolarHBondContact O-N 3.25Å; A364-R366 PolarHBondContact O-N 2.92Å |
| 365 | E | 91.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | trans | -80.2 | 89 | -178.6 | -174.3 | 45.4 | -104.9 | 0 | 0 | 111.7 | L313 N314 V317 E361 V362 M363 M367 L368 C411 | L313-E365 HydrophobicContact CD2-CB 3.82Å; L313-E365 HydrophobicContact CD2-CG 4.38Å; L313-E365 HydrophobicContact CG-CB 4.32Å; L313-E365 HydrophobicContact CG-CG 4.33Å; N314-E365 VanDerWaalsContact CA-OE2 3.32Å; N314-E365 WeakPolarHBondContact CA-OE2 3.33Å; N314-E365 VanDerWaalsContact CB-OE2 3.23Å; N314-E365 WeakPolarHBondContact CB-OE2 3.4Å; V317-E365 HydrophobicContact CB-CG 4.18Å; V317-E365 HydrophobicContact CG1-CG 4.26Å; V317-E365 HydrophobicContact CG2-CG 3.65Å; E361-E365 PolarHBondContact O-N 3.13Å; V362-E365 PolarHBondContact O-N 2.64Å; V362-E365 VanDerWaalsContact O-N 3.16Å; M363-E365 VanDerWaalsContact C-N 3.31Å; E365-M367 PolarHBondContact O-N 3.46Å; E365-M367 VanDerWaalsContact O-N 3.1Å; E365-M367 PolarHBondContact OE1-N 2.93Å; E365-L368 HydrophobicContact CG-CB 4.3Å; E365-L368 WeakPolarHBondContact O-CB 3.43Å; E365-L368 PolarHBondContact O-N 3.43Å; E365-L368 VanDerWaalsContact O-N 3.14Å; E365-C411 WeakPolarHBondContact O-CB 3.16Å | ||
| 366 | R | 90.2 | Very high | 91.7 | Very high | 209 Ų | 209 | 57.9 Ų | 57.9 | 79% | 0.789 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -30.2 | -169.2 | -63.8 | -177.4 | -178.5 | 178.3 | 0.1 | 114.4 | A364 | A364-R366 PolarHBondContact O-N 2.92Š|
| 367 | M | 93.4 | Very high | 92 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 35% | 0.345 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.3 | -174.4 | -60.9 | -54.5 | -61 | 0 | 0 | 113.2 | V317 E365 G369 D370 R371 | V317-M367 HydrophobicContact CG1-CB 4.15Å; E365-M367 PolarHBondContact O-N 3.46Å; E365-M367 VanDerWaalsContact O-N 3.1Å; E365-M367 PolarHBondContact OE1-N 2.93Å; M367-G369 PolarHBondContact O-N 3.08Å; M367-D370 HydrophobicContact CE-CB 4.47Å; M367-D370 PolarHBondContact O-N 3.04Å; M367-D370 VanDerWaalsContact O-N 3.14Å; M367-R371 WeakPolarHBondContact O-CG 3.3Å; M367-R371 PolarHBondContact O-N 2.72Å |
| 368 | L | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | -169.2 | -178.5 | 62.4 | 0 | 0 | 0 | 113.3 | V317 I354 V362 E365 D370 R371 F372 | V317-L368 HydrophobicContact CG2-CD1 3.7Å; I354-L368 HydrophobicContact CD1-CD1 3.95Å; V362-L368 HydrophobicContact CG1-CD2 3.43Å; V362-L368 VanDerWaalsContact CG1-CD2 3.43Å; E365-L368 HydrophobicContact CG-CB 4.3Å; E365-L368 WeakPolarHBondContact O-CB 3.43Å; E365-L368 PolarHBondContact O-N 3.43Å; E365-L368 VanDerWaalsContact O-N 3.14Å; L368-D370 VanDerWaalsContact C-N 3.32Å; L368-D370 PolarHBondContact O-N 3.31Å; L368-R371 PolarHBondContact O-N 3.29Å; L368-F372 HydrophobicContact CD1-CD1 4.24Å; L368-F372 HydrophobicContact CD1-CD2 4.37Å; L368-F372 HydrophobicContact CD1-CE1 3.72Å; L368-F372 HydrophobicContact CD1-CE2 3.87Å; L368-F372 HydrophobicContact CD1-CZ 3.53Å; L368-F372 HydrophobicContact CD2-CE2 4.1Å; L368-F372 HydrophobicContact CD2-CZ 4.32Å; L368-F372 HydrophobicContact CG-CD2 4.15Å; L368-F372 HydrophobicContact CG-CE1 4.49Å; L368-F372 HydrophobicContact CG-CE2 3.77Å; L368-F372 HydrophobicContact CG-CZ 3.97Å; L368-F372 WeakPolarHBondContact O-CG 3.43Å; L368-F372 PolarHBondContact O-N 2.89Å |
| 369 | G | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M367 F372 Q373 C411 | M367-G369 PolarHBondContact O-N 3.08Å; G369-F372 PolarHBondContact O-N 3.35Å; G369-Q373 WeakPolarHBondContact O-CB 3.03Å; G369-Q373 PolarHBondContact O-N 3.29Å; G369-C411 VanDerWaalsContact CA-O 3.32Å; G369-C411 WeakPolarHBondContact CA-O 3.31Å; G369-C411 PolarHBondContact N-O 3.25Å |
| 370 | D | 95.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.3 | -38.8 | 176.6 | -65.9 | -19 | 0 | 0 | 0 | 111.3 | M367 L368 Q373 H374 | M367-D370 HydrophobicContact CE-CB 4.47Å; M367-D370 PolarHBondContact O-N 3.04Å; M367-D370 VanDerWaalsContact O-N 3.14Å; L368-D370 VanDerWaalsContact C-N 3.32Å; L368-D370 PolarHBondContact O-N 3.31Å; D370-Q373 PolarHBondContact O-N 3.15Å; D370-H374 WeakPolarHBondContact O-CB 3.16Å; D370-H374 PolarHBondContact O-N 3.47Å |
| 371 | R | 95.9 | Very high | 93.3 | Very high | 48 Ų | 48 | 49 Ų | 49 | 18% | 0.181 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 175.6 | -60.7 | -41.4 | -177.4 | -136.2 | -5.6 | 112.4 | V317 Q321 M367 L368 H374 L375 | V317-R371 HydrophobicContact CG1-CB 4.23Å; V317-R371 HydrophobicContact CG1-CG 3.41Å; V317-R371 VanDerWaalsContact CG1-CG 3.41Å; Q321-R371 VanDerWaalsContact OE1-NH1 3.13Å; M367-R371 WeakPolarHBondContact O-CG 3.3Å; M367-R371 PolarHBondContact O-N 2.72Å; L368-R371 PolarHBondContact O-N 3.29Å; R371-H374 WeakPolarHBondContact O-CB 3.47Å; R371-H374 PolarHBondContact O-N 2.96Å; R371-L375 WeakPolarHBondContact O-CB 3.27Å; R371-L375 PolarHBondContact O-N 2.95Å |
| 372 | F | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 173 | -74.4 | -15.1 | 0 | 0 | 0 | 112 | L320 T351 I354 L368 G369 H374 L375 V376 I396 I399 S400 F415 | L320-F372 HydrophobicContact CD1-CE1 4.04Å; T351-F372 HydrophobicContact CG2-CE1 4.38Å; I354-F372 HydrophobicContact CD1-CE1 4.36Å; I354-F372 HydrophobicContact CD1-CZ 4.36Å; L368-F372 HydrophobicContact CD1-CD1 4.24Å; L368-F372 HydrophobicContact CD1-CD2 4.37Å; L368-F372 HydrophobicContact CD1-CE1 3.72Å; L368-F372 HydrophobicContact CD1-CE2 3.87Å; L368-F372 HydrophobicContact CD1-CZ 3.53Å; L368-F372 HydrophobicContact CD2-CE2 4.1Å; L368-F372 HydrophobicContact CD2-CZ 4.32Å; L368-F372 HydrophobicContact CG-CD2 4.15Å; L368-F372 HydrophobicContact CG-CE1 4.49Å; L368-F372 HydrophobicContact CG-CE2 3.77Å; L368-F372 HydrophobicContact CG-CZ 3.97Å; L368-F372 WeakPolarHBondContact O-CG 3.43Å; L368-F372 PolarHBondContact O-N 2.89Å; G369-F372 PolarHBondContact O-N 3.35Å; F372-H374 VanDerWaalsContact C-N 3.34Å; F372-H374 PolarHBondContact O-N 3.38Å; F372-L375 PolarHBondContact O-N 3.44Å; F372-V376 WeakPolarHBondContact O-CG2 3.5Å; F372-V376 PolarHBondContact O-N 3.34Å; F372-I396 HydrophobicContact CB-CG2 3.64Å; F372-I396 HydrophobicContact CD1-CB 4.43Å; F372-I396 HydrophobicContact CD1-CD1 4.47Å; F372-I396 HydrophobicContact CD1-CG1 3.85Å; F372-I396 HydrophobicContact CD1-CG2 4.04Å; F372-I396 HydrophobicContact CD2-CG2 3.89Å; F372-I396 HydrophobicContact CE1-CG1 4.01Å; F372-I396 HydrophobicContact CE2-CG2 4.5Å; F372-I396 HydrophobicContact CG-CB 4.43Å; F372-I396 HydrophobicContact CG-CG1 4.32Å; F372-I396 HydrophobicContact CG-CG2 3.62Å; F372-I399 HydrophobicContact CE2-CB 4.23Å; F372-I399 HydrophobicContact CE2-CG2 3.93Å; F372-I399 HydrophobicContact CZ-CB 4.36Å; F372-I399 HydrophobicContact CZ-CD1 4.18Å; F372-I399 HydrophobicContact CZ-CG2 4.09Å; F372-S400 VanDerWaalsContact CD2-OG 3.25Å; F372-S400 WeakPolarHBondContact CD2-OG 2.99Å; F372-F415 HydrophobicContact CB-CD2 3.96Å; F372-F415 HydrophobicContact CB-CE2 4.03Å; F372-F415 HydrophobicContact CB-CG 4.29Å; F372-F415 HydrophobicContact CB-CZ 4.43Å |
| 373 | Q | 96.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.299 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 173.5 | 176.6 | 170 | -41 | 0 | 0 | 111.7 | G369 D370 L375 V376 N377 F415 Y419 | G369-Q373 WeakPolarHBondContact O-CB 3.03Å; G369-Q373 PolarHBondContact O-N 3.29Å; D370-Q373 PolarHBondContact O-N 3.15Å; Q373-L375 PolarHBondContact O-N 2.89Å; Q373-V376 PolarHBondContact O-N 2.58Å; Q373-N377 PolarHBondContact O-N 2.82Å; Q373-N377 PolarHBondContact O-ND2 3.22Å; Q373-N377 VanDerWaalsContact O-ND2 3.08Å; Q373-F415 HydrophobicContact CB-CD2 4.04Å; Q373-Y419 HydrophobicContact CB-CD1 4.28Å; Q373-Y419 HydrophobicContact CB-CE1 4.31Å; Q373-Y419 HydrophobicContact CG-CD1 3.99Å; Q373-Y419 HydrophobicContact CG-CD2 3.73Å; Q373-Y419 HydrophobicContact CG-CE1 3.92Å; Q373-Y419 HydrophobicContact CG-CE2 3.66Å; Q373-Y419 HydrophobicContact CG-CG 3.91Å |
| 374 | H | 96.2 | Very high | 92.4 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 177.3 | -175.8 | 71 | 0 | 0 | 0 | 112 | Q321 D325 L328 D370 R371 F372 V376 N377 A378 | Q321-H374 PolarHBondContact NE2-CD2 3.44Å; Q321-H374 PolarHBondContact NE2-CE1 3.4Å; Q321-H374 VanDerWaalsContact NE2-CE1 3.29Å; Q321-H374 PolarHBondContact NE2-NE2 2.8Å; D325-H374 PolarHBondContact N-NE2 2.92Å; D325-H374 IonicContact OD1-CD2 3.29Å; D325-H374 IonicContact OD1-CE1 2.97Å; D325-H374 PolarHBondContact OD1-CE1 3.38Å; D325-H374 VanDerWaalsContact OD1-CE1 3.28Å; D325-H374 IonicContact OD1-NE2 2.84Å; D325-H374 PolarHBondContact OD1-NE2 3.05Å; L328-H374 WeakPolarHBondContact CD1-CE1 3.43Å; D370-H374 WeakPolarHBondContact O-CB 3.16Å; D370-H374 PolarHBondContact O-N 3.47Å; R371-H374 WeakPolarHBondContact O-CB 3.47Å; R371-H374 PolarHBondContact O-N 2.96Å; F372-H374 VanDerWaalsContact C-N 3.34Å; F372-H374 PolarHBondContact O-N 3.38Å; H374-V376 PolarHBondContact O-N 3.17Å; H374-N377 WeakPolarHBondContact O-CB 3.28Å; H374-N377 PolarHBondContact O-N 3.24Å; H374-A378 PolarHBondContact O-N 3.35Å |
| 375 | L | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | -179.6 | -172.7 | 53.1 | 0 | 0 | 0 | 112.2 | L320 L327 R371 F372 Q373 A378 L379 L392 I396 | L320-L375 HydrophobicContact CD2-CD2 4.07Å; L327-L375 HydrophobicContact CD1-CD1 3.54Å; R371-L375 WeakPolarHBondContact O-CB 3.27Å; R371-L375 PolarHBondContact O-N 2.95Å; F372-L375 PolarHBondContact O-N 3.44Å; Q373-L375 PolarHBondContact O-N 2.89Å; L375-A378 WeakPolarHBondContact O-CB 3.4Å; L375-A378 PolarHBondContact O-N 2.97Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.24Å; L375-L392 HydrophobicContact CD1-CD2 4.38Å; L375-L392 HydrophobicContact CD2-CD1 4.18Å; L375-L392 HydrophobicContact CD2-CD2 4.09Å; L375-L392 HydrophobicContact CD2-CG 4.35Å; L375-L392 HydrophobicContact CG-CD2 4.29Å; L375-I396 HydrophobicContact CB-CD1 4.43Å; L375-I396 HydrophobicContact CD2-CD1 3.72Å; L375-I396 HydrophobicContact CG-CD1 4.05Å |
| 376 | V | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -41.3 | 175.6 | 174 | 0 | 0 | 0 | 0 | 111.5 | F372 Q373 H374 A378 L379 L380 L393 I396 F415 Y419 | F372-V376 WeakPolarHBondContact O-CG2 3.5Å; F372-V376 PolarHBondContact O-N 3.34Å; Q373-V376 PolarHBondContact O-N 2.58Å; H374-V376 PolarHBondContact O-N 3.17Å; V376-A378 VanDerWaalsContact C-N 3.25Å; V376-A378 PolarHBondContact O-N 3.41Å; V376-L379 PolarHBondContact O-N 3.34Å; V376-L380 HydrophobicContact CG1-CD1 3.97Å; V376-L380 HydrophobicContact CG1-CG 4.32Å; V376-L380 WeakPolarHBondContact O-CB 3.32Å; V376-L380 VanDerWaalsContact O-CG 3.3Å; V376-L380 WeakPolarHBondContact O-CG 3.44Å; V376-L380 PolarHBondContact O-N 3Å; V376-L393 HydrophobicContact CG1-CD1 4.25Å; V376-L393 HydrophobicContact CG2-CD1 3.58Å; V376-I396 HydrophobicContact CG2-CD1 4.25Å; V376-I396 HydrophobicContact CG2-CG2 4.27Å; V376-F415 HydrophobicContact CB-CE2 4.42Å; V376-F415 HydrophobicContact CG2-CE2 3.86Å; V376-F415 HydrophobicContact CG2-CZ 3.99Å; V376-Y419 HydrophobicContact CB-CE1 4.14Å; V376-Y419 HydrophobicContact CG1-CE1 4.01Å |
| 377 | N | 95.4 | Very high | 91.7 | Very high | 57 Ų | 57 | 42.6 Ų | 42.6 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.3 | -40 | 173.5 | -79.7 | -48.3 | 0 | 0 | 0 | 111.5 | Q373 H374 R381 Y419 | Q373-N377 PolarHBondContact O-N 2.82Å; Q373-N377 PolarHBondContact O-ND2 3.22Å; Q373-N377 VanDerWaalsContact O-ND2 3.08Å; H374-N377 WeakPolarHBondContact O-CB 3.28Å; H374-N377 PolarHBondContact O-N 3.24Å; N377-R381 WeakPolarHBondContact O-CB 2.75Å; N377-R381 PolarHBondContact O-N 3.15Å; N377-Y419 PolarHBondContact ND2-OH 2.96Å; N377-Y419 PolarHBondContact OD1-OH 3.37Å |
| 378 | A | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.4 | -45.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G324 L327 L328 H374 L375 V376 L380 R381 Q382 | G324-A378 WeakPolarHBondContact O-CB 3.5Å; L327-A378 HydrophobicContact CB-CB 3.6Å; L327-A378 HydrophobicContact CD1-CB 4.32Å; L328-A378 HydrophobicContact CD2-CB 3.84Å; L328-A378 HydrophobicContact CG-CB 3.71Å; H374-A378 PolarHBondContact O-N 3.35Å; L375-A378 WeakPolarHBondContact O-CB 3.4Å; L375-A378 PolarHBondContact O-N 2.97Å; V376-A378 VanDerWaalsContact C-N 3.25Å; V376-A378 PolarHBondContact O-N 3.41Å; A378-L380 PolarHBondContact O-N 3.01Å; A378-R381 PolarHBondContact O-N 3.28Å; A378-Q382 WeakPolarHBondContact O-CG 3.48Å; A378-Q382 PolarHBondContact O-N 3.13Å; A378-Q382 VanDerWaalsContact O-N 3.16Å |
| 379 | L | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.7 | -67.9 | 171 | 0 | 0 | 0 | 112 | L327 L344 L375 V376 Q382 D383 V384 A389 L392 F446 | L327-L379 HydrophobicContact CD1-CD2 4.02Å; L327-L379 HydrophobicContact CD1-CG 4.48Å; L344-L379 HydrophobicContact CD2-CD2 3.53Å; L375-L379 WeakPolarHBondContact O-CG 3.48Å; L375-L379 PolarHBondContact O-N 3.24Å; V376-L379 PolarHBondContact O-N 3.34Å; L379-Q382 PolarHBondContact O-N 3.11Å; L379-D383 PolarHBondContact O-N 3.42Å; L379-V384 PolarHBondContact O-N 3.31Å; L379-A389 HydrophobicContact CD2-CB 4.03Å; L379-L392 HydrophobicContact CD1-CD2 4.08Å; L379-L392 HydrophobicContact CD1-CG 4.49Å; L379-L392 HydrophobicContact CD2-CD2 4.42Å; L379-F446 HydrophobicContact CB-CE1 4.5Å; L379-F446 HydrophobicContact CB-CZ 4.38Å; L379-F446 HydrophobicContact CD1-CZ 4.27Å |
| 380 | L | 92.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.7 | -69.5 | 175 | 0 | 0 | 0 | 112.2 | V376 A378 Q382 D383 F385 K423 T443 F446 L447 | V376-L380 HydrophobicContact CG1-CD1 3.97Å; V376-L380 HydrophobicContact CG1-CG 4.32Å; V376-L380 WeakPolarHBondContact O-CB 3.32Å; V376-L380 VanDerWaalsContact O-CG 3.3Å; V376-L380 WeakPolarHBondContact O-CG 3.44Å; V376-L380 PolarHBondContact O-N 3Å; A378-L380 PolarHBondContact O-N 3.01Å; L380-Q382 VanDerWaalsContact C-N 3.32Å; L380-Q382 PolarHBondContact O-N 3.02Å; L380-D383 PolarHBondContact O-N 2.88Å; L380-F385 HydrophobicContact CD2-CE1 4.32Å; L380-K423 HydrophobicContact CD1-CD 4.06Å; L380-T443 HydrophobicContact CD2-CG2 4.04Å; L380-F446 HydrophobicContact CD2-CD1 4.22Å; L380-F446 HydrophobicContact CD2-CE1 4.32Å; L380-L447 HydrophobicContact CD1-CD2 4.42Å; L380-L447 HydrophobicContact CD2-CD1 4.26Å; L380-L447 HydrophobicContact CD2-CD2 4.1Å; L380-L447 HydrophobicContact CD2-CG 4.19Å |
| 381 | R | 90.5 | Very high | 91.1 | Very high | 167 Ų | 167 | 39.6 Ų | 39.6 | 63% | 0.63 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.8 | -38.9 | 178 | -178.8 | -172.9 | 174.3 | 106.1 | -3.1 | 112.2 | L328 N377 A378 D383 | L328-R381 HydrophobicContact CD2-CB 4.29Å; L328-R381 HydrophobicContact CD2-CG 4.49Å; N377-R381 WeakPolarHBondContact O-CB 2.75Å; N377-R381 PolarHBondContact O-N 3.15Å; A378-R381 PolarHBondContact O-N 3.28Å; R381-D383 VanDerWaalsContact C-N 3.29Å; R381-D383 PolarHBondContact O-N 3.4Å |
| 382 | Q | 86.5 | Confident | 91.1 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -4.9 | -176.5 | -66.2 | -65.9 | -29.7 | 0 | 0 | 113.8 | L327 Q329 F332 A378 L379 L380 V384 | L327-Q382 WeakPolarHBondContact O-CG 3.31Å; L327-Q382 PolarHBondContact O-NE2 3.43Å; Q329-Q382 PolarHBondContact O-NE2 2.97Å; F332-Q382 HydrophobicContact CD1-CG 4Å; A378-Q382 WeakPolarHBondContact O-CG 3.48Å; A378-Q382 PolarHBondContact O-N 3.13Å; A378-Q382 VanDerWaalsContact O-N 3.16Å; L379-Q382 PolarHBondContact O-N 3.11Å; L380-Q382 VanDerWaalsContact C-N 3.32Å; L380-Q382 PolarHBondContact O-N 3.02Å; Q382-V384 HydrophobicContact CB-CB 4.43Å; Q382-V384 HydrophobicContact CB-CG2 3.56Å; Q382-V384 PolarHBondContact O-N 2.81Å |
| 383 | D | 83.5 | Confident | 91 | Very high | 76 Ų | 76 | 37.3 Ų | 37.3 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 31.8 | -174.3 | -158.5 | 43.3 | 0 | 0 | 0 | 112.3 | L379 L380 R381 F385 | L379-D383 PolarHBondContact O-N 3.42Å; L380-D383 PolarHBondContact O-N 2.88Å; R381-D383 VanDerWaalsContact C-N 3.29Å; R381-D383 PolarHBondContact O-N 3.4Å; D383-F385 PolarHBondContact O-N 2.92Å; D383-F385 WeakPolarHBondContact OD1-CE2 2.98Å; D383-F385 VanDerWaalsContact OD1-CZ 3.26Å; D383-F385 WeakPolarHBondContact OD1-CZ 3.28Å |
| 384 | V | 76.8 | Confident | 90.8 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.097 | 19% | 0.19 | C | C | . | . | trans | -93.4 | 99.5 | -176.3 | -177 | 0 | 0 | 0 | 0 | 109.9 | F332 L344 L379 Q382 A389 | F332-V384 HydrophobicContact CE1-CG2 4.46Å; L344-V384 HydrophobicContact CD1-CG1 3.75Å; L379-V384 PolarHBondContact O-N 3.31Å; Q382-V384 HydrophobicContact CB-CB 4.43Å; Q382-V384 HydrophobicContact CB-CG2 3.56Å; Q382-V384 PolarHBondContact O-N 2.81Å; V384-A389 HydrophobicContact CG1-CB 4.15Å; V384-A389 VanDerWaalsContact O-CB 3.27Å; V384-A389 WeakPolarHBondContact O-CB 3.42Å | ||
| 385 | F | 84.6 | Confident | 90.7 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 21% | 0.206 | 19% | 0.188 | C | C | . | . | trans | -115.6 | 35.3 | -179.8 | -49.1 | -44.9 | 0 | 0 | 0 | 112.5 | L380 D383 K442 T443 F446 | L380-F385 HydrophobicContact CD2-CE1 4.32Å; D383-F385 PolarHBondContact O-N 2.92Å; D383-F385 WeakPolarHBondContact OD1-CE2 2.98Å; D383-F385 VanDerWaalsContact OD1-CZ 3.26Å; D383-F385 WeakPolarHBondContact OD1-CZ 3.28Å; F385-K442 HydrophobicContact CD2-CB 3.6Å; F385-K442 HydrophobicContact CD2-CD 4.44Å; F385-K442 HydrophobicContact CE2-CB 3.87Å; F385-T443 HydrophobicContact CZ-CG2 4.3Å; F385-T443 VanDerWaalsContact CZ-OG1 3.29Å; F385-T443 WeakPolarHBondContact CZ-OG1 3.18Å; F385-F446 HydrophobicContact CB-CB 4.41Å; F385-F446 HydrophobicContact CB-CD2 4.15Å; F385-F446 HydrophobicContact CB-CG 4.45Å; F385-F446 HydrophobicContact CD1-CB 3.7Å; F385-F446 AromaticContact CD1-CD1 3.6Å; F385-F446 HydrophobicContact CD1-CD1 3.6Å; F385-F446 AromaticContact CD1-CD2 3.69Å; F385-F446 HydrophobicContact CD1-CD2 3.69Å; F385-F446 HydrophobicContact CD1-CE1 4.07Å; F385-F446 HydrophobicContact CD1-CE2 4.14Å; F385-F446 AromaticContact CD1-CG 3.39Å; F385-F446 HydrophobicContact CD1-CG 3.39Å; F385-F446 HydrophobicContact CD1-CZ 4.33Å; F385-F446 HydrophobicContact CE1-CB 4.18Å; F385-F446 AromaticContact CE1-CD1 3.72Å; F385-F446 HydrophobicContact CE1-CD1 3.72Å; F385-F446 HydrophobicContact CE1-CE1 4.2Å; F385-F446 AromaticContact CE1-CG 3.94Å; F385-F446 HydrophobicContact CE1-CG 3.94Å; F385-F446 HydrophobicContact CG-CB 4.1Å; F385-F446 HydrophobicContact CG-CD2 4.31Å; F385-F446 HydrophobicContact CG-CG 4.17Å | ||
| 386 | D | 85 | Confident | 90.7 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 28% | 0.283 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -77.1 | 176.5 | 174.6 | 65.5 | 12.9 | 0 | 0 | 0 | 111.9 | L344 P388 A389 A390 | L344-D386 WeakPolarHBondContact CD1-OD1 3.41Å; D386-P388 WeakPolarHBondContact OD1-CD 3.16Å; D386-A389 PolarHBondContact O-N 3.35Å; D386-A389 VanDerWaalsContact OD1-CB 3.25Å; D386-A389 WeakPolarHBondContact OD1-CB 3.34Å; D386-A389 PolarHBondContact OD1-N 3.03Å; D386-A390 WeakPolarHBondContact O-CB 3.45Å; D386-A390 PolarHBondContact O-N 3.44Å |
| 387 | T | 87.7 | Confident | 90.5 | Very high | 119 Ų | 119 | 35.3 Ų | 35.3 | 73% | 0.73 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -62.4 | -45 | -175.2 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | A390 A391 | T387-A390 PolarHBondContact O-N 2.94Å; T387-A391 PolarHBondContact O-N 2.59Å |
| 388 | P | 89.6 | Confident | 90.3 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 174 | -24.2 | 32.9 | 0 | 0 | 0 | 113.5 | T341 L344 Q345 D386 A390 A391 L392 | T341-P388 HydrophobicContact CG2-CG 3.93Å; L344-P388 HydrophobicContact CB-CB 3.6Å; L344-P388 HydrophobicContact CD1-CB 4.31Å; Q345-P388 HydrophobicContact CG-CB 4.14Å; Q345-P388 HydrophobicContact CG-CG 4.16Å; D386-P388 WeakPolarHBondContact OD1-CD 3.16Å; P388-A390 VanDerWaalsContact C-N 3.32Å; P388-A390 PolarHBondContact O-N 3.12Å; P388-A391 PolarHBondContact O-N 3.3Å; P388-L392 WeakPolarHBondContact O-CB 3.32Å; P388-L392 PolarHBondContact O-N 3.09Å |
| 389 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.7 | -41.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | L344 L379 V384 D386 L392 L393 F446 | L344-A389 HydrophobicContact CD1-CB 4.23Å; L379-A389 HydrophobicContact CD2-CB 4.03Å; V384-A389 HydrophobicContact CG1-CB 4.15Å; V384-A389 VanDerWaalsContact O-CB 3.27Å; V384-A389 WeakPolarHBondContact O-CB 3.42Å; D386-A389 PolarHBondContact O-N 3.35Å; D386-A389 VanDerWaalsContact OD1-CB 3.25Å; D386-A389 WeakPolarHBondContact OD1-CB 3.34Å; D386-A389 PolarHBondContact OD1-N 3.03Å; A389-L392 PolarHBondContact O-N 2.8Å; A389-L393 PolarHBondContact O-N 2.95Å; A389-F446 HydrophobicContact CB-CE2 3.93Å; A389-F446 HydrophobicContact CB-CZ 4.24Å |
| 390 | A | 92 | Very high | 90 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 26% | 0.264 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D386 T387 P388 N394 F446 | D386-A390 WeakPolarHBondContact O-CB 3.45Å; D386-A390 PolarHBondContact O-N 3.44Å; T387-A390 PolarHBondContact O-N 2.94Å; P388-A390 VanDerWaalsContact C-N 3.32Å; P388-A390 PolarHBondContact O-N 3.12Å; A390-N394 WeakPolarHBondContact O-CB 3.5Å; A390-N394 PolarHBondContact O-N 3.34Å; A390-F446 HydrophobicContact CB-CD2 4.27Å; A390-F446 HydrophobicContact CB-CE2 4.2Å |
| 391 | A | 92.3 | Very high | 89.9 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 28% | 0.281 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L348 T387 P388 N394 D395 | L348-A391 HydrophobicContact CD1-CB 4Å; L348-A391 HydrophobicContact CD2-CB 3.96Å; T387-A391 PolarHBondContact O-N 2.59Å; P388-A391 PolarHBondContact O-N 3.3Å; A391-N394 WeakPolarHBondContact O-CB 3.37Å; A391-N394 PolarHBondContact O-N 2.65Å; A391-D395 PolarHBondContact O-N 3.41Å |
| 392 | L | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.8 | 176.7 | 61.6 | 0 | 0 | 0 | 111.8 | L344 A347 L348 T351 L375 L379 P388 A389 N394 D395 I396 | L344-L392 HydrophobicContact CD2-CD2 4.36Å; A347-L392 HydrophobicContact CB-CD1 3.93Å; A347-L392 HydrophobicContact CB-CD2 3.62Å; A347-L392 HydrophobicContact CB-CG 4.42Å; L348-L392 HydrophobicContact CD1-CB 4.49Å; T351-L392 HydrophobicContact CG2-CD1 3.61Å; L375-L392 HydrophobicContact CD1-CD2 4.38Å; L375-L392 HydrophobicContact CD2-CD1 4.18Å; L375-L392 HydrophobicContact CD2-CD2 4.09Å; L375-L392 HydrophobicContact CD2-CG 4.35Å; L375-L392 HydrophobicContact CG-CD2 4.29Å; L379-L392 HydrophobicContact CD1-CD2 4.08Å; L379-L392 HydrophobicContact CD1-CG 4.49Å; L379-L392 HydrophobicContact CD2-CD2 4.42Å; P388-L392 WeakPolarHBondContact O-CB 3.32Å; P388-L392 PolarHBondContact O-N 3.09Å; A389-L392 PolarHBondContact O-N 2.8Å; L392-N394 VanDerWaalsContact C-N 3.28Å; L392-N394 PolarHBondContact O-N 3.29Å; L392-D395 PolarHBondContact O-N 3.33Å; L392-I396 HydrophobicContact CD1-CD1 4.15Å; L392-I396 HydrophobicContact CD1-CG1 4.41Å; L392-I396 HydrophobicContact CG-CD1 3.99Å; L392-I396 VanDerWaalsContact O-CG1 3.26Å; L392-I396 WeakPolarHBondContact O-CG1 3.31Å; L392-I396 PolarHBondContact O-N 3.27Å |
| 393 | L | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -40.5 | 175.6 | -178.8 | 67.9 | 0 | 0 | 0 | 111.3 | V376 A389 D395 I396 V397 Y420 F446 L447 P450 | V376-L393 HydrophobicContact CG1-CD1 4.25Å; V376-L393 HydrophobicContact CG2-CD1 3.58Å; A389-L393 PolarHBondContact O-N 2.95Å; L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.9Å; L393-I396 PolarHBondContact O-N 3.02Å; L393-V397 HydrophobicContact CD1-CG2 4.08Å; L393-V397 HydrophobicContact CG-CG2 4.28Å; L393-V397 WeakPolarHBondContact O-CB 3.32Å; L393-V397 VanDerWaalsContact O-CG2 3.25Å; L393-V397 WeakPolarHBondContact O-CG2 3.3Å; L393-V397 PolarHBondContact O-N 3.46Å; L393-Y420 HydrophobicContact CD1-CE2 4.12Å; L393-Y420 HydrophobicContact CD2-CE2 4.48Å; L393-F446 HydrophobicContact CB-CE1 4.45Å; L393-F446 HydrophobicContact CB-CE2 4.38Å; L393-F446 HydrophobicContact CB-CZ 3.94Å; L393-F446 HydrophobicContact CD2-CD1 3.81Å; L393-F446 HydrophobicContact CD2-CE1 3.57Å; L393-F446 HydrophobicContact CD2-CE2 4.32Å; L393-F446 HydrophobicContact CD2-CG 4.29Å; L393-F446 HydrophobicContact CD2-CZ 3.83Å; L393-F446 WeakPolarHBondContact CD2-O 3.49Å; L393-F446 HydrophobicContact CG-CE1 4.46Å; L393-F446 HydrophobicContact CG-CZ 4.43Å; L393-L447 HydrophobicContact CD2-CD2 4.36Å; L393-P450 HydrophobicContact CB-CG 4.36Å; L393-P450 HydrophobicContact CD2-CG 3.65Å; L393-P450 HydrophobicContact CG-CG 3.66Å |
| 394 | N | 92.9 | Very high | 90 | Very high | 33 Ų | 33 | 20.3 Ų | 20.3 | 18% | 0.176 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 177.9 | -174.7 | 54.2 | 0 | 0 | 0 | 112.3 | A390 A391 L392 G398 P450 | A390-N394 WeakPolarHBondContact O-CB 3.5Å; A390-N394 PolarHBondContact O-N 3.34Å; A391-N394 WeakPolarHBondContact O-CB 3.37Å; A391-N394 PolarHBondContact O-N 2.65Å; L392-N394 VanDerWaalsContact C-N 3.28Å; L392-N394 PolarHBondContact O-N 3.29Å; N394-G398 PolarHBondContact O-N 2.99Å; N394-P450 HydrophobicContact CB-CB 4.48Å; N394-P450 HydrophobicContact CB-CG 4.49Å; N394-P450 WeakPolarHBondContact OD1-CA 3.45Å |
| 395 | D | 92.9 | Very high | 90.4 | Very high | 25 Ų | 25 | 20.2 Ų | 20.2 | 13% | 0.134 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 175 | -83.4 | 11.8 | 0 | 0 | 0 | 111.8 | L348 T351 Q355 A391 L392 L393 V397 G398 I399 | L348-D395 HydrophobicContact CD1-CB 4.47Å; L348-D395 WeakPolarHBondContact CD1-OD2 3.34Å; T351-D395 HydrophobicContact CG2-CB 4.35Å; T351-D395 WeakPolarHBondContact OG1-CB 3.45Å; T351-D395 PolarHBondContact OG1-OD2 2.9Å; Q355-D395 PolarHBondContact NE2-OD2 3.33Å; A391-D395 PolarHBondContact O-N 3.41Å; L392-D395 PolarHBondContact O-N 3.33Å; L393-D395 VanDerWaalsContact C-N 3.34Å; L393-D395 PolarHBondContact O-N 2.9Å; D395-V397 VanDerWaalsContact C-N 3.32Å; D395-V397 PolarHBondContact O-N 3.02Å; D395-G398 PolarHBondContact O-N 3.41Å; D395-I399 HydrophobicContact CB-CD1 4.47Å; D395-I399 WeakPolarHBondContact O-CB 3.45Å; D395-I399 WeakPolarHBondContact O-CD1 3.45Å; D395-I399 WeakPolarHBondContact O-CG1 3.32Å; D395-I399 PolarHBondContact O-N 3.3Å |
| 396 | I | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55.1 | -49.9 | 178.8 | -71.9 | 167.4 | 0 | 0 | 0 | 110.8 | T351 F372 L375 V376 L392 L393 S400 F415 | T351-I396 HydrophobicContact CG2-CG1 4.18Å; F372-I396 HydrophobicContact CB-CG2 3.64Å; F372-I396 HydrophobicContact CD1-CB 4.43Å; F372-I396 HydrophobicContact CD1-CD1 4.47Å; F372-I396 HydrophobicContact CD1-CG1 3.85Å; F372-I396 HydrophobicContact CD1-CG2 4.04Å; F372-I396 HydrophobicContact CD2-CG2 3.89Å; F372-I396 HydrophobicContact CE1-CG1 4.01Å; F372-I396 HydrophobicContact CE2-CG2 4.5Å; F372-I396 HydrophobicContact CG-CB 4.43Å; F372-I396 HydrophobicContact CG-CG1 4.32Å; F372-I396 HydrophobicContact CG-CG2 3.62Å; L375-I396 HydrophobicContact CB-CD1 4.43Å; L375-I396 HydrophobicContact CD2-CD1 3.72Å; L375-I396 HydrophobicContact CG-CD1 4.05Å; V376-I396 HydrophobicContact CG2-CD1 4.25Å; V376-I396 HydrophobicContact CG2-CG2 4.27Å; L392-I396 HydrophobicContact CD1-CD1 4.15Å; L392-I396 HydrophobicContact CD1-CG1 4.41Å; L392-I396 HydrophobicContact CG-CD1 3.99Å; L392-I396 VanDerWaalsContact O-CG1 3.26Å; L392-I396 WeakPolarHBondContact O-CG1 3.31Å; L392-I396 PolarHBondContact O-N 3.27Å; L393-I396 PolarHBondContact O-N 3.02Å; I396-S400 VanDerWaalsContact O-CB 3.26Å; I396-S400 WeakPolarHBondContact O-CB 3.45Å; I396-S400 PolarHBondContact O-N 2.91Å; I396-S400 PolarHBondContact O-OG 3.06Å; I396-F415 HydrophobicContact CG2-CE1 3.7Å; I396-F415 HydrophobicContact CG2-CE2 4.09Å; I396-F415 HydrophobicContact CG2-CZ 3.38Å |
| 397 | V | 93.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -45.1 | -179.5 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L393 D395 S400 Y401 F415 Y420 P450 | L393-V397 HydrophobicContact CD1-CG2 4.08Å; L393-V397 HydrophobicContact CG-CG2 4.28Å; L393-V397 WeakPolarHBondContact O-CB 3.32Å; L393-V397 VanDerWaalsContact O-CG2 3.25Å; L393-V397 WeakPolarHBondContact O-CG2 3.3Å; L393-V397 PolarHBondContact O-N 3.46Å; D395-V397 VanDerWaalsContact C-N 3.32Å; D395-V397 PolarHBondContact O-N 3.02Å; V397-S400 PolarHBondContact O-N 3.21Å; V397-Y401 HydrophobicContact CG1-CD2 3.62Å; V397-Y401 HydrophobicContact CG1-CE2 3.64Å; V397-Y401 VanDerWaalsContact O-CD2 3.27Å; V397-Y401 WeakPolarHBondContact O-CD2 3.38Å; V397-Y401 PolarHBondContact O-N 2.84Å; V397-F415 HydrophobicContact CG2-CE1 4.46Å; V397-Y420 HydrophobicContact CB-CE1 4.42Å; V397-Y420 HydrophobicContact CG1-CD1 4.36Å; V397-Y420 HydrophobicContact CG1-CE1 3.77Å; V397-Y420 HydrophobicContact CG2-CD1 4.13Å; V397-Y420 HydrophobicContact CG2-CD2 4.01Å; V397-Y420 HydrophobicContact CG2-CE1 3.68Å; V397-Y420 HydrophobicContact CG2-CE2 3.59Å; V397-Y420 HydrophobicContact CG2-CG 4.25Å; V397-P450 HydrophobicContact CB-CB 3.82Å; V397-P450 HydrophobicContact CG1-CB 3.88Å; V397-P450 HydrophobicContact CG2-CB 3.94Å; V397-P450 HydrophobicContact CG2-CG 4.3Å |
| 398 | G | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -51.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N394 D395 S400 Y401 H402 F456 | N394-G398 PolarHBondContact O-N 2.99Å; D395-G398 PolarHBondContact O-N 3.41Å; G398-S400 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 3.29Å; G398-Y401 PolarHBondContact O-N 3.41Å; G398-H402 WeakPolarHBondContact O-CB 2.93Å; G398-H402 PolarHBondContact O-N 3.17Å; G398-F456 VanDerWaalsContact C-CD2 3.45Å; G398-F456 VanDerWaalsContact CA-CD2 3.42Å |
| 399 | I | 91 | Very high | 89.5 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 176.6 | -66 | 163.2 | 0 | 0 | 0 | 109.9 | T351 I354 Q355 F372 D395 Y401 H402 V403 F456 | T351-I399 WeakPolarHBondContact O-CD1 3.48Å; I354-I399 HydrophobicContact CB-CD1 4.48Å; I354-I399 HydrophobicContact CG2-CD1 4.35Å; I354-I399 HydrophobicContact CG2-CG2 4.2Å; Q355-I399 HydrophobicContact CG-CD1 3.86Å; Q355-I399 HydrophobicContact CG-CG1 3.78Å; F372-I399 HydrophobicContact CE2-CB 4.23Å; F372-I399 HydrophobicContact CE2-CG2 3.93Å; F372-I399 HydrophobicContact CZ-CB 4.36Å; F372-I399 HydrophobicContact CZ-CD1 4.18Å; F372-I399 HydrophobicContact CZ-CG2 4.09Å; D395-I399 HydrophobicContact CB-CD1 4.47Å; D395-I399 WeakPolarHBondContact O-CB 3.45Å; D395-I399 WeakPolarHBondContact O-CD1 3.45Å; D395-I399 WeakPolarHBondContact O-CG1 3.32Å; D395-I399 PolarHBondContact O-N 3.3Å; I399-Y401 PolarHBondContact O-N 3.05Å; I399-H402 WeakPolarHBondContact O-CB 3.25Å; I399-H402 PolarHBondContact O-N 2.66Å; I399-V403 HydrophobicContact CG2-CG2 4.25Å; I399-V403 VanDerWaalsContact O-CG2 3.29Å; I399-V403 WeakPolarHBondContact O-CG2 3.39Å; I399-V403 PolarHBondContact O-N 3.17Å; I399-F456 HydrophobicContact CG1-CZ 4.3Å |
| 400 | S | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | -176.5 | -60 | 0 | 0 | 0 | 0 | 112.4 | F372 I396 V397 G398 V403 V404 F415 | F372-S400 VanDerWaalsContact CD2-OG 3.25Å; F372-S400 WeakPolarHBondContact CD2-OG 2.99Å; I396-S400 VanDerWaalsContact O-CB 3.26Å; I396-S400 WeakPolarHBondContact O-CB 3.45Å; I396-S400 PolarHBondContact O-N 2.91Å; I396-S400 PolarHBondContact O-OG 3.06Å; V397-S400 PolarHBondContact O-N 3.21Å; G398-S400 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 3.29Å; S400-V403 PolarHBondContact O-N 3.29Å; S400-V404 WeakPolarHBondContact O-CB 3.48Å; S400-V404 VanDerWaalsContact O-CG2 3.3Å; S400-V404 WeakPolarHBondContact O-CG2 3.28Å; S400-V404 PolarHBondContact O-N 3.3Å; S400-F415 VanDerWaalsContact OG-CD1 3.22Å; S400-F415 WeakPolarHBondContact OG-CD1 3.4Å |
| 401 | Y | 90.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.027 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.9 | -36.9 | 175.5 | -81.7 | -65.8 | 0 | 0 | 0 | 112.2 | V397 G398 I399 V404 S405 A416 Y420 V466 I467 L470 | V397-Y401 HydrophobicContact CG1-CD2 3.62Å; V397-Y401 HydrophobicContact CG1-CE2 3.64Å; V397-Y401 VanDerWaalsContact O-CD2 3.27Å; V397-Y401 WeakPolarHBondContact O-CD2 3.38Å; V397-Y401 PolarHBondContact O-N 2.84Å; G398-Y401 PolarHBondContact O-N 3.41Å; I399-Y401 PolarHBondContact O-N 3.05Å; Y401-V404 PolarHBondContact O-N 3.43Å; Y401-S405 VanDerWaalsContact O-CB 3.26Å; Y401-S405 WeakPolarHBondContact O-CB 3.29Å; Y401-S405 PolarHBondContact O-N 3.35Å; Y401-A416 HydrophobicContact CD1-CB 4.26Å; Y401-A416 HydrophobicContact CE1-CB 4.16Å; Y401-A416 PolarHBondContact OH-O 3.37Å; Y401-A416 VanDerWaalsContact OH-O 3.11Å; Y401-Y420 HydrophobicContact CE2-CD1 4.44Å; Y401-V466 HydrophobicContact CD1-CB 4.45Å; Y401-V466 HydrophobicContact CD1-CG1 3.78Å; Y401-V466 HydrophobicContact CE1-CG1 3.46Å; Y401-V466 VanDerWaalsContact CE1-CG1 3.46Å; Y401-I467 HydrophobicContact CD1-CG1 4.43Å; Y401-I467 HydrophobicContact CD2-CD1 4.22Å; Y401-I467 HydrophobicContact CD2-CG1 4.19Å; Y401-I467 HydrophobicContact CG-CD1 4.31Å; Y401-I467 HydrophobicContact CG-CG1 4.15Å; Y401-L470 VanDerWaalsContact OH-CD2 3.24Å; Y401-L470 WeakPolarHBondContact OH-CD2 3.43Å |
| 402 | H | 87.9 | Confident | 89 | Confident | 27 Ų | 27 | 26.4 Ų | 26.4 | 13% | 0.125 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.9 | -174.6 | 83.2 | 0 | 0 | 0 | 111.5 | V359 G398 I399 S405 Q406 F456 V463 | V359-H402 VanDerWaalsContact CG2-NE2 3.35Å; V359-H402 WeakPolarHBondContact CG2-NE2 3.46Å; G398-H402 WeakPolarHBondContact O-CB 2.93Å; G398-H402 PolarHBondContact O-N 3.17Å; I399-H402 WeakPolarHBondContact O-CB 3.25Å; I399-H402 PolarHBondContact O-N 2.66Å; H402-S405 WeakPolarHBondContact O-CB 3.42Å; H402-S405 PolarHBondContact O-N 3.03Å; H402-S405 PolarHBondContact O-OG 3.26Å; H402-Q406 PolarHBondContact O-N 3.35Å; H402-F456 HydrophobicContact CB-CD1 3.74Å; H402-F456 HydrophobicContact CB-CE1 4.13Å; H402-F456 HydrophobicContact CB-CG 4.19Å; H402-F456 AromaticContact CG-CD1 3.74Å; H402-F456 AromaticContact ND1-CD1 3.56Å; H402-V463 HydrophobicContact CB-CG2 4.5Å |
| 403 | V | 88.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 177.3 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | V362 M363 I399 S400 S405 Q406 A407 T410 C412 | V362-V403 HydrophobicContact CB-CG2 4.46Å; V362-V403 HydrophobicContact CG1-CG2 3.64Å; M363-V403 HydrophobicContact CG-CG1 3.79Å; I399-V403 HydrophobicContact CG2-CG2 4.25Å; I399-V403 VanDerWaalsContact O-CG2 3.29Å; I399-V403 WeakPolarHBondContact O-CG2 3.39Å; I399-V403 PolarHBondContact O-N 3.17Å; S400-V403 PolarHBondContact O-N 3.29Å; V403-S405 PolarHBondContact O-N 2.85Å; V403-Q406 PolarHBondContact O-N 2.77Å; V403-Q406 VanDerWaalsContact O-N 3.07Å; V403-A407 PolarHBondContact O-N 3.23Å; V403-T410 HydrophobicContact CG1-CG2 4.28Å; V403-C412 HydrophobicContact CB-CB 4.31Å; V403-C412 HydrophobicContact CG1-CB 4.06Å |
| 404 | V | 86.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | 179.5 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | S400 Y401 Q406 A407 T408 C412 A416 L417 | S400-V404 WeakPolarHBondContact O-CB 3.48Å; S400-V404 VanDerWaalsContact O-CG2 3.3Å; S400-V404 WeakPolarHBondContact O-CG2 3.28Å; S400-V404 PolarHBondContact O-N 3.3Å; Y401-V404 PolarHBondContact O-N 3.43Å; V404-Q406 VanDerWaalsContact C-N 3.27Å; V404-Q406 PolarHBondContact O-N 3.38Å; V404-A407 CarbonylContact C-O 3.16Å; V404-A407 WeakPolarHBondContact CA-O 3.34Å; V404-A407 CarbonylContact O-C 3.59Å; V404-A407 PolarHBondContact O-N 3.21Å; V404-A407 VanDerWaalsContact O-O 3.13Å; V404-T408 PolarHBondContact O-N 3.16Å; V404-C412 HydrophobicContact CG2-CB 4.11Å; V404-A416 HydrophobicContact CG2-CB 4Å; V404-L417 HydrophobicContact CG1-CD1 4.01Å; V404-L417 HydrophobicContact CG1-CD2 4.05Å; V404-L417 HydrophobicContact CG1-CG 4.11Å |
| 405 | S | 84.8 | Confident | 88.8 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.7 | -21.8 | 176.8 | 86.3 | 0 | 0 | 0 | 0 | 114.1 | Y401 H402 V403 S460 N462 V463 | Y401-S405 VanDerWaalsContact O-CB 3.26Å; Y401-S405 WeakPolarHBondContact O-CB 3.29Å; Y401-S405 PolarHBondContact O-N 3.35Å; H402-S405 WeakPolarHBondContact O-CB 3.42Å; H402-S405 PolarHBondContact O-N 3.03Å; H402-S405 PolarHBondContact O-OG 3.26Å; V403-S405 PolarHBondContact O-N 2.85Å; S405-S460 PolarHBondContact OG-OG 2.85Å; S405-N462 PolarHBondContact O-ND2 3.47Å; S405-N462 VanDerWaalsContact O-ND2 3.16Å; S405-V463 VanDerWaalsContact CB-CG2 3.47Å; S405-V463 WeakPolarHBondContact OG-CG2 3.45Å |
| 406 | Q | 85.2 | Confident | 88.7 | Confident | 106 Ų | 106 | 29.4 Ų | 29.4 | 50% | 0.495 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -83.7 | -40.3 | 173.7 | -56.4 | -53.4 | -27.5 | 0 | 0 | 111.4 | V359 M363 H402 V403 V404 | V359-Q406 HydrophobicContact CG1-CB 4.47Å; V359-Q406 HydrophobicContact CG1-CG 3.65Å; M363-Q406 HydrophobicContact CE-CB 4.39Å; M363-Q406 HydrophobicContact SD-CB 3.75Å; M363-Q406 HydrophobicContact SD-CG 4.44Å; H402-Q406 PolarHBondContact O-N 3.35Å; V403-Q406 PolarHBondContact O-N 2.77Å; V403-Q406 VanDerWaalsContact O-N 3.07Å; V404-Q406 VanDerWaalsContact C-N 3.27Å; V404-Q406 PolarHBondContact O-N 3.38Å |
| 407 | A | 80.7 | Confident | 88.4 | Confident | 38 Ų | 38 | 33.3 Ų | 33.3 | 31% | 0.314 | 19% | 0.187 | S | C | . | . | trans | -152.4 | 134.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M363 V403 V404 D409 T410 | M363-A407 HydrophobicContact CE-CB 3.65Å; V403-A407 PolarHBondContact O-N 3.23Å; V404-A407 CarbonylContact C-O 3.16Å; V404-A407 WeakPolarHBondContact CA-O 3.34Å; V404-A407 CarbonylContact O-C 3.59Å; V404-A407 PolarHBondContact O-N 3.21Å; V404-A407 VanDerWaalsContact O-O 3.13Å; A407-D409 VanDerWaalsContact C-N 3.34Å; A407-D409 PolarHBondContact O-N 3.24Å; A407-T410 HydrophobicContact CB-CG2 3.69Å; A407-T410 WeakPolarHBondContact O-CB 3.42Å; A407-T410 WeakPolarHBondContact O-CG2 3.24Å; A407-T410 PolarHBondContact O-OG1 2.82Å | ||
| 408 | T | 78.7 | Confident | 88.3 | Confident | 91 Ų | 91 | 38.1 Ų | 38.1 | 56% | 0.558 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -69.8 | -31.5 | -176 | 53.1 | 0 | 0 | 0 | 0 | 113 | V404 T410 S413 | V404-T408 PolarHBondContact O-N 3.16Å; T408-T410 VanDerWaalsContact C-N 3.35Å; T408-T410 PolarHBondContact O-N 2.96Å; T408-S413 WeakPolarHBondContact O-CB 3.5Å |
| 409 | D | 83.7 | Confident | 88.5 | Confident | 158 Ų | 158 | 39 Ų | 39 | 85% | 0.845 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -94.1 | 61.2 | -179.2 | -62.8 | -13.4 | 0 | 0 | 0 | 110.5 | A407 | A407-D409 VanDerWaalsContact C-N 3.34Å; A407-D409 PolarHBondContact O-N 3.24Å |
| 410 | T | 87.7 | Confident | 88.7 | Confident | 16 Ų | 16 | 38.6 Ų | 38.6 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -116.5 | 171.2 | -176.8 | 48.3 | 0 | 0 | 0 | 0 | 113.1 | M363 V403 A407 T408 C412 S413 | M363-T410 HydrophobicContact CB-CG2 4.41Å; M363-T410 HydrophobicContact CE-CG2 3.71Å; M363-T410 HydrophobicContact CG-CG2 4.01Å; V403-T410 HydrophobicContact CG1-CG2 4.28Å; A407-T410 HydrophobicContact CB-CG2 3.69Å; A407-T410 WeakPolarHBondContact O-CB 3.42Å; A407-T410 WeakPolarHBondContact O-CG2 3.24Å; A407-T410 PolarHBondContact O-OG1 2.82Å; T408-T410 VanDerWaalsContact C-N 3.35Å; T408-T410 PolarHBondContact O-N 2.96Å; T410-C412 PolarHBondContact O-N 3.47Å; T410-C412 VanDerWaalsContact O-N 3.08Å; T410-S413 WeakPolarHBondContact O-CB 3.42Å; T410-S413 PolarHBondContact O-N 3.12Å; T410-S413 VanDerWaalsContact O-N 3.1Å; T410-S413 PolarHBondContact O-OG 3.16Å |
| 411 | C | 86.4 | Confident | 88.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.2 | 176 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | V362 E365 G369 | V362-C411 PolarHBondContact O-SG 3.44Å; E365-C411 WeakPolarHBondContact O-CB 3.16Å; G369-C411 VanDerWaalsContact CA-O 3.32Å; G369-C411 WeakPolarHBondContact CA-O 3.31Å; G369-C411 PolarHBondContact N-O 3.25Å |
| 412 | C | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | -178.2 | -67.1 | 0 | 0 | 0 | 0 | 114.2 | V403 V404 T410 F415 A416 | V403-C412 HydrophobicContact CB-CB 4.31Å; V403-C412 HydrophobicContact CG1-CB 4.06Å; V404-C412 HydrophobicContact CG2-CB 4.11Å; T410-C412 PolarHBondContact O-N 3.47Å; T410-C412 VanDerWaalsContact O-N 3.08Å; C412-F415 PolarHBondContact O-N 3.43Å; C412-A416 WeakPolarHBondContact O-CB 3.2Å; C412-A416 PolarHBondContact O-N 2.92Å |
| 413 | S | 91.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | -173.4 | 65.4 | 0 | 0 | 0 | 0 | 113 | T408 T410 F415 A416 L417 | T408-S413 WeakPolarHBondContact O-CB 3.5Å; T410-S413 WeakPolarHBondContact O-CB 3.42Å; T410-S413 PolarHBondContact O-N 3.12Å; T410-S413 VanDerWaalsContact O-N 3.1Å; T410-S413 PolarHBondContact O-OG 3.16Å; S413-F415 VanDerWaalsContact C-N 3.28Å; S413-F415 PolarHBondContact O-N 3.42Å; S413-A416 PolarHBondContact O-N 3.12Å; S413-L417 VanDerWaalsContact O-CB 3.27Å; S413-L417 WeakPolarHBondContact O-CB 3.45Å; S413-L417 PolarHBondContact O-N 3.31Å |
| 414 | N | 92.4 | Very high | 89.4 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 176.3 | -72.7 | -20.6 | 0 | 0 | 0 | 111.7 | I418 Y419 | N414-I418 WeakPolarHBondContact O-CB 3.4Å; N414-I418 PolarHBondContact O-N 3.12Å; N414-Y419 PolarHBondContact O-N 2.98Å |
| 415 | F | 94 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -65.2 | -57.2 | 177.2 | 177.2 | -90.6 | 0 | 0 | 0 | 111.4 | F372 Q373 V376 I396 V397 S400 C412 S413 Y419 Y420 | F372-F415 HydrophobicContact CB-CD2 3.96Å; F372-F415 HydrophobicContact CB-CE2 4.03Å; F372-F415 HydrophobicContact CB-CG 4.29Å; F372-F415 HydrophobicContact CB-CZ 4.43Å; Q373-F415 HydrophobicContact CB-CD2 4.04Å; V376-F415 HydrophobicContact CB-CE2 4.42Å; V376-F415 HydrophobicContact CG2-CE2 3.86Å; V376-F415 HydrophobicContact CG2-CZ 3.99Å; I396-F415 HydrophobicContact CG2-CE1 3.7Å; I396-F415 HydrophobicContact CG2-CE2 4.09Å; I396-F415 HydrophobicContact CG2-CZ 3.38Å; V397-F415 HydrophobicContact CG2-CE1 4.46Å; S400-F415 VanDerWaalsContact OG-CD1 3.22Å; S400-F415 WeakPolarHBondContact OG-CD1 3.4Å; C412-F415 PolarHBondContact O-N 3.43Å; S413-F415 VanDerWaalsContact C-N 3.28Å; S413-F415 PolarHBondContact O-N 3.42Å; F415-Y419 AromaticContact CD2-CD1 3.61Å; F415-Y419 HydrophobicContact CD2-CD1 3.61Å; F415-Y419 HydrophobicContact CD2-CE1 4.11Å; F415-Y419 AromaticContact CE2-CD1 3.7Å; F415-Y419 HydrophobicContact CE2-CD1 3.7Å; F415-Y419 AromaticContact CE2-CE1 3.8Å; F415-Y419 HydrophobicContact CE2-CE1 3.8Å; F415-Y419 PolarHBondContact O-N 2.85Å; F415-Y420 HydrophobicContact CE1-CG 4.47Å; F415-Y420 HydrophobicContact CZ-CD2 4.35Å; F415-Y420 HydrophobicContact CZ-CG 4.38Å; F415-Y420 WeakPolarHBondContact O-CB 3.41Å; F415-Y420 PolarHBondContact O-N 3.24Å |
| 416 | A | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -73.4 | -36.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y401 V404 C412 S413 P421 | Y401-A416 HydrophobicContact CD1-CB 4.26Å; Y401-A416 HydrophobicContact CE1-CB 4.16Å; Y401-A416 PolarHBondContact OH-O 3.37Å; Y401-A416 VanDerWaalsContact OH-O 3.11Å; V404-A416 HydrophobicContact CG2-CB 4Å; C412-A416 WeakPolarHBondContact O-CB 3.2Å; C412-A416 PolarHBondContact O-N 2.92Å; S413-A416 PolarHBondContact O-N 3.12Å; A416-P421 WeakPolarHBondContact O-CD 3.45Å; A416-P421 VanDerWaalsContact O-CG 3.24Å; A416-P421 WeakPolarHBondContact O-CG 3.36Å |
| 417 | L | 88.7 | Confident | 90.2 | Very high | 83 Ų | 83 | 44 Ų | 44 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -97.8 | -19.7 | -171.2 | -56.9 | -179.9 | 0 | 0 | 0 | 113.6 | V404 S413 | V404-L417 HydrophobicContact CG1-CD1 4.01Å; V404-L417 HydrophobicContact CG1-CD2 4.05Å; V404-L417 HydrophobicContact CG1-CG 4.11Å; S413-L417 VanDerWaalsContact O-CB 3.27Å; S413-L417 WeakPolarHBondContact O-CB 3.45Å; S413-L417 PolarHBondContact O-N 3.31Å |
| 418 | I | 91 | Very high | 90.5 | Very high | 102 Ų | 102 | 42.4 Ų | 42.4 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -122.3 | -67.4 | -174.8 | -52.8 | 175.5 | 0 | 0 | 0 | 110.1 | N414 Q422 | N414-I418 WeakPolarHBondContact O-CB 3.4Å; N414-I418 PolarHBondContact O-N 3.12Å; I418-Q422 WeakPolarHBondContact O-CB 3.48Å; I418-Q422 PolarHBondContact O-N 3.04Å |
| 419 | Y | 95.2 | Very high | 90.8 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 7% | 0.071 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -63.6 | -53 | -169.1 | 167.8 | -95.2 | 0 | 0 | 0 | 113 | Q373 V376 N377 N414 F415 Q422 K423 | Q373-Y419 HydrophobicContact CB-CD1 4.28Å; Q373-Y419 HydrophobicContact CB-CE1 4.31Å; Q373-Y419 HydrophobicContact CG-CD1 3.99Å; Q373-Y419 HydrophobicContact CG-CD2 3.73Å; Q373-Y419 HydrophobicContact CG-CE1 3.92Å; Q373-Y419 HydrophobicContact CG-CE2 3.66Å; Q373-Y419 HydrophobicContact CG-CG 3.91Å; V376-Y419 HydrophobicContact CB-CE1 4.14Å; V376-Y419 HydrophobicContact CG1-CE1 4.01Å; N377-Y419 PolarHBondContact ND2-OH 2.96Å; N377-Y419 PolarHBondContact OD1-OH 3.37Å; N414-Y419 PolarHBondContact O-N 2.98Å; F415-Y419 AromaticContact CD2-CD1 3.61Å; F415-Y419 HydrophobicContact CD2-CD1 3.61Å; F415-Y419 HydrophobicContact CD2-CE1 4.11Å; F415-Y419 AromaticContact CE2-CD1 3.7Å; F415-Y419 HydrophobicContact CE2-CD1 3.7Å; F415-Y419 AromaticContact CE2-CE1 3.8Å; F415-Y419 HydrophobicContact CE2-CE1 3.8Å; F415-Y419 PolarHBondContact O-N 2.85Å; Y419-Q422 WeakPolarHBondContact O-CB 3.43Å; Y419-Q422 PolarHBondContact O-N 3.18Å; Y419-K423 HydrophobicContact CD2-CG 4.42Å; Y419-K423 HydrophobicContact CE1-CG 4.2Å; Y419-K423 HydrophobicContact CE2-CD 4.36Å; Y419-K423 HydrophobicContact CE2-CG 3.9Å; Y419-K423 WeakPolarHBondContact O-CG 3.49Å; Y419-K423 PolarHBondContact O-N 3.43Å |
| 420 | Y | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | -174.8 | 177.3 | -106.4 | 0 | 0 | 0 | 112.8 | L393 V397 Y401 F415 Q422 K423 V424 L447 P450 I451 | L393-Y420 HydrophobicContact CD1-CE2 4.12Å; L393-Y420 HydrophobicContact CD2-CE2 4.48Å; V397-Y420 HydrophobicContact CB-CE1 4.42Å; V397-Y420 HydrophobicContact CG1-CD1 4.36Å; V397-Y420 HydrophobicContact CG1-CE1 3.77Å; V397-Y420 HydrophobicContact CG2-CD1 4.13Å; V397-Y420 HydrophobicContact CG2-CD2 4.01Å; V397-Y420 HydrophobicContact CG2-CE1 3.68Å; V397-Y420 HydrophobicContact CG2-CE2 3.59Å; V397-Y420 HydrophobicContact CG2-CG 4.25Å; Y401-Y420 HydrophobicContact CE2-CD1 4.44Å; F415-Y420 HydrophobicContact CE1-CG 4.47Å; F415-Y420 HydrophobicContact CZ-CD2 4.35Å; F415-Y420 HydrophobicContact CZ-CG 4.38Å; F415-Y420 WeakPolarHBondContact O-CB 3.41Å; F415-Y420 PolarHBondContact O-N 3.24Å; Y420-Q422 VanDerWaalsContact C-N 3.29Å; Y420-Q422 PolarHBondContact O-N 3.27Å; Y420-K423 PolarHBondContact O-N 2.86Å; Y420-K423 VanDerWaalsContact O-N 3.15Å; Y420-V424 HydrophobicContact CE1-CG2 4.19Å; Y420-V424 HydrophobicContact CE2-CG2 4.23Å; Y420-V424 WeakPolarHBondContact O-CG2 3.49Å; Y420-V424 PolarHBondContact O-N 2.59Å; Y420-L447 HydrophobicContact CE2-CD2 4.12Å; Y420-L447 PolarHBondContact OH-O 3.37Å; Y420-P450 WeakPolarHBondContact OH-CB 3.43Å; Y420-P450 WeakPolarHBondContact OH-CG 3.48Å; Y420-I451 HydrophobicContact CE1-CD1 4.05Å; Y420-I451 HydrophobicContact CE1-CG1 3.81Å |
| 421 | P | 92.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 8% | 0.078 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.4 | -41.8 | 171.5 | -26.5 | 35.6 | 0 | 0 | 0 | 112.7 | A416 K423 V424 Y425 L470 | A416-P421 WeakPolarHBondContact O-CD 3.45Å; A416-P421 VanDerWaalsContact O-CG 3.24Å; A416-P421 WeakPolarHBondContact O-CG 3.36Å; P421-K423 PolarHBondContact O-N 3.03Å; P421-V424 WeakPolarHBondContact O-CB 3.45Å; P421-V424 PolarHBondContact O-N 3.32Å; P421-Y425 HydrophobicContact CB-CE2 3.91Å; P421-Y425 WeakPolarHBondContact O-CD2 3.35Å; P421-Y425 VanDerWaalsContact O-CG 3.25Å; P421-Y425 PolarHBondContact O-N 3.36Å; P421-L470 HydrophobicContact CB-CD1 4.36Å |
| 422 | Q | 94.1 | Very high | 90 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 176 | -179.6 | -179.3 | -11.3 | 0 | 0 | 111.7 | I418 Y419 Y420 V424 Y425 E426 | I418-Q422 WeakPolarHBondContact O-CB 3.48Å; I418-Q422 PolarHBondContact O-N 3.04Å; Y419-Q422 WeakPolarHBondContact O-CB 3.43Å; Y419-Q422 PolarHBondContact O-N 3.18Å; Y420-Q422 VanDerWaalsContact C-N 3.29Å; Y420-Q422 PolarHBondContact O-N 3.27Å; Q422-V424 VanDerWaalsContact C-N 3.3Å; Q422-V424 PolarHBondContact O-N 2.67Å; Q422-Y425 PolarHBondContact O-N 2.78Å; Q422-E426 HydrophobicContact CG-CG 4.33Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.38Å; Q422-E426 PolarHBondContact NE2-OE1 3.21Å; Q422-E426 WeakPolarHBondContact O-CB 3.17Å; Q422-E426 VanDerWaalsContact O-CG 3.32Å; Q422-E426 WeakPolarHBondContact O-CG 3.48Å; Q422-E426 PolarHBondContact O-N 2.8Å |
| 423 | K | 94.7 | Very high | 89.4 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -38.5 | 177.3 | -72.7 | -71.5 | 161.2 | -150.9 | 0 | 112.6 | L380 Y419 Y420 P421 E426 S427 L447 | L380-K423 HydrophobicContact CD1-CD 4.06Å; Y419-K423 HydrophobicContact CD2-CG 4.42Å; Y419-K423 HydrophobicContact CE1-CG 4.2Å; Y419-K423 HydrophobicContact CE2-CD 4.36Å; Y419-K423 HydrophobicContact CE2-CG 3.9Å; Y419-K423 WeakPolarHBondContact O-CG 3.49Å; Y419-K423 PolarHBondContact O-N 3.43Å; Y420-K423 PolarHBondContact O-N 2.86Å; Y420-K423 VanDerWaalsContact O-N 3.15Å; P421-K423 PolarHBondContact O-N 3.03Å; K423-E426 IonicContact NZ-OE2 3.21Å; K423-E426 PolarHBondContact NZ-OE2 3.49Å; K423-S427 WeakPolarHBondContact O-CB 3.27Å; K423-S427 PolarHBondContact O-N 3.31Å; K423-L447 HydrophobicContact CB-CD1 4.49Å |
| 424 | V | 92.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 174.2 | 175 | 0 | 0 | 0 | 0 | 110 | Y420 P421 Q422 E426 S427 L428 L447 I448 I451 V474 | Y420-V424 HydrophobicContact CE1-CG2 4.19Å; Y420-V424 HydrophobicContact CE2-CG2 4.23Å; Y420-V424 WeakPolarHBondContact O-CG2 3.49Å; Y420-V424 PolarHBondContact O-N 2.59Å; P421-V424 WeakPolarHBondContact O-CB 3.45Å; P421-V424 PolarHBondContact O-N 3.32Å; Q422-V424 VanDerWaalsContact C-N 3.3Å; Q422-V424 PolarHBondContact O-N 2.67Å; V424-E426 PolarHBondContact O-N 3.06Å; V424-S427 PolarHBondContact O-N 2.7Å; V424-L428 HydrophobicContact CG1-CD1 4.11Å; V424-L428 VanDerWaalsContact O-CG 3.28Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 3.49Å; V424-L447 HydrophobicContact CG2-CB 4.23Å; V424-I448 HydrophobicContact CG1-CG2 4.17Å; V424-I451 HydrophobicContact CG1-CD1 4.14Å; V424-I451 HydrophobicContact CG2-CD1 3.87Å; V424-V474 HydrophobicContact CG1-CG1 4.5Å; V424-V474 HydrophobicContact CG1-CG2 3.66Å |
| 425 | Y | 90.7 | Very high | 87.2 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -39 | 179.2 | -56.9 | -40 | 0 | 0 | 0 | 113.3 | P421 Q422 S427 L428 N429 L470 E473 | P421-Y425 HydrophobicContact CB-CE2 3.91Å; P421-Y425 WeakPolarHBondContact O-CD2 3.35Å; P421-Y425 VanDerWaalsContact O-CG 3.25Å; P421-Y425 PolarHBondContact O-N 3.36Å; Q422-Y425 PolarHBondContact O-N 2.78Å; Y425-S427 VanDerWaalsContact C-N 3.33Å; Y425-L428 HydrophobicContact CD1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.41Å; Y425-N429 WeakPolarHBondContact O-CB 3.47Å; Y425-N429 PolarHBondContact O-N 2.95Å; Y425-N429 PolarHBondContact O-ND2 3.3Å; Y425-L470 HydrophobicContact CE1-CD1 4.28Å; Y425-L470 WeakPolarHBondContact OH-CD1 3.41Å; Y425-E473 HydrophobicContact CE1-CG 4.14Å; Y425-E473 PolarHBondContact OH-OE1 2.95Å; Y425-E473 PolarHBondContact OH-OE2 3.16Å |
| 426 | E | 90.9 | Very high | 86.1 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 172.5 | -76 | 172.3 | -174.3 | 0 | 0 | 110.4 | Q422 K423 V424 L428 N429 N430 | Q422-E426 HydrophobicContact CG-CG 4.33Å; Q422-E426 WeakPolarHBondContact CG-OE1 3.38Å; Q422-E426 PolarHBondContact NE2-OE1 3.21Å; Q422-E426 WeakPolarHBondContact O-CB 3.17Å; Q422-E426 VanDerWaalsContact O-CG 3.32Å; Q422-E426 WeakPolarHBondContact O-CG 3.48Å; Q422-E426 PolarHBondContact O-N 2.8Å; K423-E426 IonicContact NZ-OE2 3.21Å; K423-E426 PolarHBondContact NZ-OE2 3.49Å; V424-E426 PolarHBondContact O-N 3.06Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 2.99Å; E426-N429 PolarHBondContact O-N 2.84Å; E426-N430 VanDerWaalsContact O-CB 3.31Å; E426-N430 WeakPolarHBondContact O-CB 3.49Å; E426-N430 PolarHBondContact O-N 3.35Å; E426-N430 PolarHBondContact O-ND2 3.47Å; E426-N430 PolarHBondContact O-OD1 2.9Å |
| 427 | S | 91 | Very high | 85.4 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -37.3 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 112.8 | K423 V424 Y425 N430 L431 C444 | K423-S427 WeakPolarHBondContact O-CB 3.27Å; K423-S427 PolarHBondContact O-N 3.31Å; V424-S427 PolarHBondContact O-N 2.7Å; Y425-S427 VanDerWaalsContact C-N 3.33Å; S427-N430 PolarHBondContact O-N 3.07Å; S427-L431 PolarHBondContact O-N 2.59Å; S427-C444 VanDerWaalsContact OG-CA 3.28Å; S427-C444 WeakPolarHBondContact OG-CA 3.35Å; S427-C444 PolarHBondContact OG-N 3.34Å |
| 428 | L | 87.6 | Confident | 85 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 177.1 | -68.4 | 173.4 | 0 | 0 | 0 | 112 | V424 Y425 E426 N430 L431 V474 R477 L478 | V424-L428 HydrophobicContact CG1-CD1 4.11Å; V424-L428 VanDerWaalsContact O-CG 3.28Å; V424-L428 WeakPolarHBondContact O-CG 3.46Å; V424-L428 PolarHBondContact O-N 3.49Å; Y425-L428 HydrophobicContact CD1-CD1 4.37Å; Y425-L428 PolarHBondContact O-N 3.41Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 2.99Å; L428-N430 PolarHBondContact O-N 3.28Å; L428-L431 HydrophobicContact CD2-CD1 4.1Å; L428-L431 WeakPolarHBondContact O-CB 3.02Å; L428-L431 PolarHBondContact O-N 2.96Å; L428-V474 HydrophobicContact CD1-CG1 4.3Å; L428-V474 HydrophobicContact CD1-CG2 4.43Å; L428-R477 HydrophobicContact CD1-CB 3.96Å; L428-L478 HydrophobicContact CD2-CD1 4.33Å; L428-L478 HydrophobicContact CD2-CD2 3.21Å; L428-L478 HydrophobicContact CD2-CG 3.43Å; L428-L478 VanDerWaalsContact CD2-CG 3.43Å |
| 429 | N | 85.2 | Confident | 84.7 | Confident | 99 Ų | 99 | 46.3 Ų | 46.3 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -32 | 176.2 | -67.9 | -17.3 | 0 | 0 | 0 | 111.5 | Y425 E426 L431 T432 | Y425-N429 WeakPolarHBondContact O-CB 3.47Å; Y425-N429 PolarHBondContact O-N 2.95Å; Y425-N429 PolarHBondContact O-ND2 3.3Å; E426-N429 PolarHBondContact O-N 2.84Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.28Å; N429-T432 PolarHBondContact O-OG1 3.01Å |
| 430 | N | 84.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -76.9 | -11 | 178.6 | -71.1 | -9.8 | 0 | 0 | 0 | 113.7 | E426 S427 L428 T432 D433 L436 | E426-N430 VanDerWaalsContact O-CB 3.31Å; E426-N430 WeakPolarHBondContact O-CB 3.49Å; E426-N430 PolarHBondContact O-N 3.35Å; E426-N430 PolarHBondContact O-ND2 3.47Å; E426-N430 PolarHBondContact O-OD1 2.9Å; S427-N430 PolarHBondContact O-N 3.07Å; L428-N430 PolarHBondContact O-N 3.28Å; N430-T432 PolarHBondContact O-N 2.83Å; N430-T432 VanDerWaalsContact O-N 3.15Å; N430-D433 WeakPolarHBondContact O-CB 3.24Å; N430-D433 PolarHBondContact O-N 2.85Å; N430-L436 HydrophobicContact CB-CD1 3.7Å |
| 431 | L | 83.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.4 | -24.7 | 176.4 | -72.6 | 177.5 | 0 | 0 | 0 | 113.1 | S427 L428 N429 D433 L441 C444 L478 A488 | S427-L431 PolarHBondContact O-N 2.59Å; L428-L431 HydrophobicContact CD2-CD1 4.1Å; L428-L431 WeakPolarHBondContact O-CB 3.02Å; L428-L431 PolarHBondContact O-N 2.96Å; N429-L431 VanDerWaalsContact C-N 3.3Å; N429-L431 PolarHBondContact O-N 3.28Å; L431-D433 VanDerWaalsContact C-N 3.3Å; L431-L441 HydrophobicContact CD2-CD2 3.79Å; L431-L441 HydrophobicContact CD2-CG 4.38Å; L431-C444 HydrophobicContact CD2-CB 3.89Å; L431-L478 HydrophobicContact CD1-CD2 3.95Å; L431-A488 HydrophobicContact CB-CB 4.37Å; L431-A488 WeakPolarHBondContact O-CB 3.3Å |
| 432 | T | 73.6 | Confident | 83.8 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -80.3 | -13.6 | 177.8 | 65.1 | 0 | 0 | 0 | 0 | 113 | N429 N430 L434 L487 | N429-T432 PolarHBondContact O-OG1 3.01Å; N430-T432 PolarHBondContact O-N 2.83Å; N430-T432 VanDerWaalsContact O-N 3.15Å; T432-L434 PolarHBondContact O-N 3Å; T432-L487 HydrophobicContact CG2-CD2 3.57Å |
| 433 | D | 78.2 | Confident | 83.7 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 38% | 0.38 | 26% | 0.257 | S | S | . | . | trans | -80 | 104.8 | 179.4 | -171.6 | -10.2 | 0 | 0 | 0 | 110.7 | N430 L431 S435 L436 | N430-D433 WeakPolarHBondContact O-CB 3.24Å; N430-D433 PolarHBondContact O-N 2.85Å; L431-D433 VanDerWaalsContact C-N 3.3Å; D433-S435 PolarHBondContact O-N 3Å; D433-S435 VanDerWaalsContact O-N 3.17Å; D433-S435 VanDerWaalsContact OD1-CB 3.3Å; D433-S435 WeakPolarHBondContact OD1-CB 3.33Å; D433-S435 PolarHBondContact OD1-N 2.85Å; D433-S435 PolarHBondContact OD1-OG 3.35Å; D433-S435 PolarHBondContact OD2-OG 3.38Å; D433-L436 HydrophobicContact CB-CD1 4.03Å; D433-L436 HydrophobicContact CB-CG 4.18Å; D433-L436 PolarHBondContact O-N 3.17Å | ||
| 434 | L | 64 | Low | 83.5 | Confident | 113 Ų | 113 | 43.7 Ų | 43.7 | 59% | 0.592 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -56.4 | -29.2 | 177.7 | -65.4 | 177.1 | 0 | 0 | 0 | 113.5 | T432 L436 G437 N491 | T432-L434 PolarHBondContact O-N 3Å; L434-L436 PolarHBondContact O-N 2.77Å; L434-G437 PolarHBondContact O-N 2.95Å; L434-N491 HydrophobicContact CD2-CB 3.28Å; L434-N491 VanDerWaalsContact CD2-ND2 3.33Å; L434-N491 WeakPolarHBondContact CD2-ND2 3.32Å |
| 435 | S | 73.4 | Confident | 83.4 | Confident | 98 Ų | 98 | 45.7 Ų | 45.7 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.4 | -21.4 | -176.2 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | D433 | D433-S435 PolarHBondContact O-N 3Å; D433-S435 VanDerWaalsContact O-N 3.17Å; D433-S435 VanDerWaalsContact OD1-CB 3.3Å; D433-S435 WeakPolarHBondContact OD1-CB 3.33Å; D433-S435 PolarHBondContact OD1-N 2.85Å; D433-S435 PolarHBondContact OD1-OG 3.35Å; D433-S435 PolarHBondContact OD2-OG 3.38Å |
| 436 | L | 71.9 | Confident | 83.6 | Confident | 65 Ų | 65 | 44 Ų | 44 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -84.6 | -16.7 | 179.2 | -60.6 | 177.6 | 0 | 0 | 0 | 113.2 | N430 D433 L434 V438 S439 G440 | N430-L436 HydrophobicContact CB-CD1 3.7Å; D433-L436 HydrophobicContact CB-CD1 4.03Å; D433-L436 HydrophobicContact CB-CG 4.18Å; D433-L436 PolarHBondContact O-N 3.17Å; L434-L436 PolarHBondContact O-N 2.77Å; L436-V438 PolarHBondContact O-N 2.65Å; L436-S439 WeakPolarHBondContact O-CB 3.31Å; L436-S439 PolarHBondContact O-N 2.68Å; L436-G440 PolarHBondContact O-N 3.46Å |
| 437 | G | 74.2 | Confident | 83.7 | Confident | 21 Ų | 21 | 41.1 Ų | 41.1 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | 45.3 | -131.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L434 S439 | L434-G437 PolarHBondContact O-N 2.95Å; G437-S439 VanDerWaalsContact C-N 3.27Å; G437-S439 PolarHBondContact O-N 2.85Å |
| 438 | V | 81.1 | Confident | 83.7 | Confident | 12 Ų | 12 | 40.8 Ų | 40.8 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -33.3 | 177 | 176.4 | 0 | 0 | 0 | 0 | 112.5 | L436 G440 L441 K442 E499 T502 S503 | L436-V438 PolarHBondContact O-N 2.65Å; V438-G440 VanDerWaalsContact C-N 3.35Å; V438-G440 PolarHBondContact O-N 3.19Å; V438-L441 WeakPolarHBondContact O-CB 3.47Å; V438-L441 PolarHBondContact O-N 2.97Å; V438-K442 HydrophobicContact CG1-CD 3.96Å; V438-K442 HydrophobicContact CG1-CG 4.07Å; V438-K442 WeakPolarHBondContact O-CG 3.41Å; V438-K442 PolarHBondContact O-N 3.06Å; V438-E499 HydrophobicContact CG2-CB 3.65Å; V438-E499 HydrophobicContact CG2-CG 4Å; V438-E499 VanDerWaalsContact CG2-O 3.22Å; V438-E499 WeakPolarHBondContact CG2-O 3.32Å; V438-T502 HydrophobicContact CG1-CG2 3.6Å; V438-S503 WeakPolarHBondContact CG2-OG 3.37Å |
| 439 | S | 84.8 | Confident | 83.9 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -36 | -174.1 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | L436 G437 L441 K442 T443 | L436-S439 WeakPolarHBondContact O-CB 3.31Å; L436-S439 PolarHBondContact O-N 2.68Å; G437-S439 VanDerWaalsContact C-N 3.27Å; G437-S439 PolarHBondContact O-N 2.85Å; S439-L441 VanDerWaalsContact C-N 3.34Å; S439-L441 PolarHBondContact O-N 2.63Å; S439-K442 PolarHBondContact O-N 3.07Å; S439-T443 WeakPolarHBondContact O-CB 3.41Å; S439-T443 PolarHBondContact O-N 3.15Å; S439-T443 PolarHBondContact O-OG1 3.46Å |
| 440 | G | 87.3 | Confident | 84.2 | Confident | 7 Ų | 7 | 37 Ų | 37 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L436 V438 C444 | L436-G440 PolarHBondContact O-N 3.46Å; V438-G440 VanDerWaalsContact C-N 3.35Å; V438-G440 PolarHBondContact O-N 3.19Å; G440-C444 WeakPolarHBondContact O-CB 3.27Å; G440-C444 PolarHBondContact O-N 2.91Å |
| 441 | L | 87.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.7 | -73.4 | 169.6 | 0 | 0 | 0 | 112 | L431 V438 S439 C444 E445 L485 A488 V506 I510 | L431-L441 HydrophobicContact CD2-CD2 3.79Å; L431-L441 HydrophobicContact CD2-CG 4.38Å; V438-L441 WeakPolarHBondContact O-CB 3.47Å; V438-L441 PolarHBondContact O-N 2.97Å; S439-L441 VanDerWaalsContact C-N 3.34Å; S439-L441 PolarHBondContact O-N 2.63Å; L441-C444 WeakPolarHBondContact O-CB 3.48Å; L441-C444 PolarHBondContact O-N 3.02Å; L441-E445 PolarHBondContact O-N 2.66Å; L441-L485 HydrophobicContact CD2-CD1 3.7Å; L441-A488 HydrophobicContact CD2-CB 4.29Å; L441-V506 HydrophobicContact CB-CB 4.39Å; L441-V506 HydrophobicContact CB-CG1 3.66Å; L441-V506 WeakPolarHBondContact O-CG1 3.37Å; L441-I510 HydrophobicContact CD2-CD1 4.2Å |
| 442 | K | 89.9 | Confident | 84.4 | Confident | 76 Ų | 76 | 32.8 Ų | 32.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 178 | -72.3 | 175.9 | 172.9 | 172.9 | 0 | 112 | F385 V438 S439 C444 E445 F446 V506 | F385-K442 HydrophobicContact CD2-CB 3.6Å; F385-K442 HydrophobicContact CD2-CD 4.44Å; F385-K442 HydrophobicContact CE2-CB 3.87Å; V438-K442 HydrophobicContact CG1-CD 3.96Å; V438-K442 HydrophobicContact CG1-CG 4.07Å; V438-K442 WeakPolarHBondContact O-CG 3.41Å; V438-K442 PolarHBondContact O-N 3.06Å; S439-K442 PolarHBondContact O-N 3.07Å; K442-C444 VanDerWaalsContact C-N 3.28Å; K442-C444 PolarHBondContact O-N 3.32Å; K442-E445 PolarHBondContact O-N 2.63Å; K442-F446 VanDerWaalsContact O-CB 3.29Å; K442-F446 WeakPolarHBondContact O-CB 3.5Å; K442-F446 PolarHBondContact O-N 2.74Å; K442-V506 HydrophobicContact CG-CG1 4.5Å; K442-V506 HydrophobicContact CG-CG2 3.95Å |
| 443 | T | 91.8 | Very high | 84.9 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | L380 F385 S439 F446 L447 | L380-T443 HydrophobicContact CD2-CG2 4.04Å; F385-T443 HydrophobicContact CZ-CG2 4.3Å; F385-T443 VanDerWaalsContact CZ-OG1 3.29Å; F385-T443 WeakPolarHBondContact CZ-OG1 3.18Å; S439-T443 WeakPolarHBondContact O-CB 3.41Å; S439-T443 PolarHBondContact O-N 3.15Å; S439-T443 PolarHBondContact O-OG1 3.46Å; T443-F446 PolarHBondContact O-N 2.96Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.47Å; T443-L447 WeakPolarHBondContact O-CB 3.43Å; T443-L447 WeakPolarHBondContact O-CG 3.41Å; T443-L447 PolarHBondContact O-N 3.29Å |
| 444 | C | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | S427 L431 G440 L441 K442 F446 L447 I448 I510 | S427-C444 VanDerWaalsContact OG-CA 3.28Å; S427-C444 WeakPolarHBondContact OG-CA 3.35Å; S427-C444 PolarHBondContact OG-N 3.34Å; L431-C444 HydrophobicContact CD2-CB 3.89Å; G440-C444 WeakPolarHBondContact O-CB 3.27Å; G440-C444 PolarHBondContact O-N 2.91Å; L441-C444 WeakPolarHBondContact O-CB 3.48Å; L441-C444 PolarHBondContact O-N 3.02Å; K442-C444 VanDerWaalsContact C-N 3.28Å; K442-C444 PolarHBondContact O-N 3.32Å; C444-F446 VanDerWaalsContact C-N 3.28Å; C444-F446 PolarHBondContact O-N 3.41Å; C444-L447 PolarHBondContact O-N 3.35Å; C444-I448 VanDerWaalsContact O-CG1 3.3Å; C444-I448 WeakPolarHBondContact O-CG1 3.49Å; C444-I448 WeakPolarHBondContact O-CG2 3.49Å; C444-I448 PolarHBondContact O-N 2.88Å; C444-I510 HydrophobicContact CB-CD1 4.35Å |
| 445 | E | 90.2 | Very high | 85.6 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.201 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.4 | -47.6 | 176.8 | -176.9 | -175.6 | -168.1 | 0 | 0 | 110.9 | L441 K442 T449 V506 N509 I510 I513 | L441-E445 PolarHBondContact O-N 2.66Å; K442-E445 PolarHBondContact O-N 2.63Å; E445-T449 WeakPolarHBondContact O-CB 3.33Å; E445-T449 PolarHBondContact O-N 2.89Å; E445-T449 VanDerWaalsContact O-N 3.12Å; E445-T449 PolarHBondContact O-OG1 2.89Å; E445-V506 HydrophobicContact CB-CG1 4.04Å; E445-V506 WeakPolarHBondContact OE2-CG1 3.31Å; E445-N509 WeakPolarHBondContact OE1-CB 3.37Å; E445-N509 PolarHBondContact OE1-ND2 3.32Å; E445-I510 HydrophobicContact CB-CD1 4.17Å; E445-I510 HydrophobicContact CB-CG1 3.78Å; E445-I510 HydrophobicContact CG-CG1 4.22Å; E445-I513 HydrophobicContact CG-CD1 4.14Å |
| 446 | F | 93.7 | Very high | 85.7 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 4% | 0.044 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -51.5 | 178.8 | -179.4 | -108.8 | 0 | 0 | 0 | 111.8 | L379 L380 F385 A389 A390 L393 K442 T443 C444 P450 | L379-F446 HydrophobicContact CB-CE1 4.5Å; L379-F446 HydrophobicContact CB-CZ 4.38Å; L379-F446 HydrophobicContact CD1-CZ 4.27Å; L380-F446 HydrophobicContact CD2-CD1 4.22Å; L380-F446 HydrophobicContact CD2-CE1 4.32Å; F385-F446 HydrophobicContact CB-CB 4.41Å; F385-F446 HydrophobicContact CB-CD2 4.15Å; F385-F446 HydrophobicContact CB-CG 4.45Å; F385-F446 HydrophobicContact CD1-CB 3.7Å; F385-F446 AromaticContact CD1-CD1 3.6Å; F385-F446 HydrophobicContact CD1-CD1 3.6Å; F385-F446 AromaticContact CD1-CD2 3.69Å; F385-F446 HydrophobicContact CD1-CD2 3.69Å; F385-F446 HydrophobicContact CD1-CE1 4.07Å; F385-F446 HydrophobicContact CD1-CE2 4.14Å; F385-F446 AromaticContact CD1-CG 3.39Å; F385-F446 HydrophobicContact CD1-CG 3.39Å; F385-F446 HydrophobicContact CD1-CZ 4.33Å; F385-F446 HydrophobicContact CE1-CB 4.18Å; F385-F446 AromaticContact CE1-CD1 3.72Å; F385-F446 HydrophobicContact CE1-CD1 3.72Å; F385-F446 HydrophobicContact CE1-CE1 4.2Å; F385-F446 AromaticContact CE1-CG 3.94Å; F385-F446 HydrophobicContact CE1-CG 3.94Å; F385-F446 HydrophobicContact CG-CB 4.1Å; F385-F446 HydrophobicContact CG-CD2 4.31Å; F385-F446 HydrophobicContact CG-CG 4.17Å; A389-F446 HydrophobicContact CB-CE2 3.93Å; A389-F446 HydrophobicContact CB-CZ 4.24Å; A390-F446 HydrophobicContact CB-CD2 4.27Å; A390-F446 HydrophobicContact CB-CE2 4.2Å; L393-F446 HydrophobicContact CB-CE1 4.45Å; L393-F446 HydrophobicContact CB-CE2 4.38Å; L393-F446 HydrophobicContact CB-CZ 3.94Å; L393-F446 HydrophobicContact CD2-CD1 3.81Å; L393-F446 HydrophobicContact CD2-CE1 3.57Å; L393-F446 HydrophobicContact CD2-CE2 4.32Å; L393-F446 HydrophobicContact CD2-CG 4.29Å; L393-F446 HydrophobicContact CD2-CZ 3.83Å; L393-F446 WeakPolarHBondContact CD2-O 3.49Å; L393-F446 HydrophobicContact CG-CE1 4.46Å; L393-F446 HydrophobicContact CG-CZ 4.43Å; K442-F446 VanDerWaalsContact O-CB 3.29Å; K442-F446 WeakPolarHBondContact O-CB 3.5Å; K442-F446 PolarHBondContact O-N 2.74Å; T443-F446 PolarHBondContact O-N 2.96Å; C444-F446 VanDerWaalsContact C-N 3.28Å; C444-F446 PolarHBondContact O-N 3.41Å; F446-P450 VanDerWaalsContact O-CD 3.25Å; F446-P450 WeakPolarHBondContact O-CD 3.36Å |
| 447 | L | 94.5 | Very high | 85.8 | Confident | 3 Ų | 3 | 23.5 Ų | 23.5 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.4 | -34.3 | -176.6 | -75.4 | 173.2 | 0 | 0 | 0 | 113.6 | L380 L393 Y420 K423 V424 T443 C444 | L380-L447 HydrophobicContact CD1-CD2 4.42Å; L380-L447 HydrophobicContact CD2-CD1 4.26Å; L380-L447 HydrophobicContact CD2-CD2 4.1Å; L380-L447 HydrophobicContact CD2-CG 4.19Å; L393-L447 HydrophobicContact CD2-CD2 4.36Å; Y420-L447 HydrophobicContact CE2-CD2 4.12Å; Y420-L447 PolarHBondContact OH-O 3.37Å; K423-L447 HydrophobicContact CB-CD1 4.49Å; V424-L447 HydrophobicContact CG2-CB 4.23Å; T443-L447 HydrophobicContact CG2-CD1 3.89Å; T443-L447 HydrophobicContact CG2-CG 4.47Å; T443-L447 WeakPolarHBondContact O-CB 3.43Å; T443-L447 WeakPolarHBondContact O-CG 3.41Å; T443-L447 PolarHBondContact O-N 3.29Å; C444-L447 PolarHBondContact O-N 3.35Å |
| 448 | I | 91.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -82.3 | -26.9 | -178.5 | 72.4 | 179.4 | 0 | 0 | 0 | 112.7 | V424 C444 I451 F452 V474 L478 I510 | V424-I448 HydrophobicContact CG1-CG2 4.17Å; C444-I448 VanDerWaalsContact O-CG1 3.3Å; C444-I448 WeakPolarHBondContact O-CG1 3.49Å; C444-I448 WeakPolarHBondContact O-CG2 3.49Å; C444-I448 PolarHBondContact O-N 2.88Å; I448-I451 WeakPolarHBondContact O-CB 3.46Å; I448-I451 PolarHBondContact O-N 3.47Å; I448-F452 HydrophobicContact CB-CD2 4.23Å; I448-F452 HydrophobicContact CB-CE2 4.05Å; I448-F452 HydrophobicContact CD1-CE2 4.45Å; I448-F452 HydrophobicContact CG1-CD2 4.43Å; I448-F452 HydrophobicContact CG1-CE2 4.46Å; I448-F452 VanDerWaalsContact O-CD2 3.3Å; I448-F452 WeakPolarHBondContact O-CD2 3.45Å; I448-F452 PolarHBondContact O-N 3.15Å; I448-V474 HydrophobicContact CB-CG1 4.38Å; I448-V474 HydrophobicContact CG2-CG1 3.82Å; I448-L478 HydrophobicContact CD1-CD1 3.88Å; I448-I510 HydrophobicContact CD1-CB 4.32Å; I448-I510 HydrophobicContact CD1-CG1 4.17Å; I448-I510 HydrophobicContact CD1-CG2 3.76Å |
| 449 | T | 91.1 | Very high | 85.5 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 14% | 0.135 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.3 | -47.5 | -173 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | E445 I451 F452 K453 I513 | E445-T449 WeakPolarHBondContact O-CB 3.33Å; E445-T449 PolarHBondContact O-N 2.89Å; E445-T449 VanDerWaalsContact O-N 3.12Å; E445-T449 PolarHBondContact O-OG1 2.89Å; T449-I451 VanDerWaalsContact C-N 3.26Å; T449-I451 PolarHBondContact O-N 3.46Å; T449-F452 PolarHBondContact O-N 3.4Å; T449-K453 HydrophobicContact CG2-CD 3.88Å; T449-K453 HydrophobicContact CG2-CG 4.39Å; T449-K453 WeakPolarHBondContact O-CB 3.43Å; T449-K453 PolarHBondContact O-N 3.28Å; T449-I513 VanDerWaalsContact OG1-CD1 3.31Å; T449-I513 WeakPolarHBondContact OG1-CD1 3.4Å |
| 450 | P | 90.5 | Very high | 85.1 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -37 | 177.5 | -26.5 | 33.8 | 0 | 0 | 0 | 114 | L393 N394 V397 Y420 F446 F452 K453 C454 | L393-P450 HydrophobicContact CB-CG 4.36Å; L393-P450 HydrophobicContact CD2-CG 3.65Å; L393-P450 HydrophobicContact CG-CG 3.66Å; N394-P450 HydrophobicContact CB-CB 4.48Å; N394-P450 HydrophobicContact CB-CG 4.49Å; N394-P450 WeakPolarHBondContact OD1-CA 3.45Å; V397-P450 HydrophobicContact CB-CB 3.82Å; V397-P450 HydrophobicContact CG1-CB 3.88Å; V397-P450 HydrophobicContact CG2-CB 3.94Å; V397-P450 HydrophobicContact CG2-CG 4.3Å; Y420-P450 WeakPolarHBondContact OH-CB 3.43Å; Y420-P450 WeakPolarHBondContact OH-CG 3.48Å; F446-P450 VanDerWaalsContact O-CD 3.25Å; F446-P450 WeakPolarHBondContact O-CD 3.36Å; P450-F452 VanDerWaalsContact C-N 3.32Å; P450-F452 PolarHBondContact O-N 3.41Å; P450-K453 PolarHBondContact O-N 3.43Å; P450-C454 WeakPolarHBondContact O-CA 3.34Å; P450-C454 WeakPolarHBondContact O-CB 3.31Å; P450-C454 PolarHBondContact O-N 3.25Å |
| 451 | I | 87.5 | Confident | 84.7 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | -179.1 | -58.8 | 169.8 | 0 | 0 | 0 | 109.5 | Y420 V424 I448 T449 I467 L470 R471 V474 | Y420-I451 HydrophobicContact CE1-CD1 4.05Å; Y420-I451 HydrophobicContact CE1-CG1 3.81Å; V424-I451 HydrophobicContact CG1-CD1 4.14Å; V424-I451 HydrophobicContact CG2-CD1 3.87Å; I448-I451 WeakPolarHBondContact O-CB 3.46Å; I448-I451 PolarHBondContact O-N 3.47Å; T449-I451 VanDerWaalsContact C-N 3.26Å; T449-I451 PolarHBondContact O-N 3.46Å; I451-I467 HydrophobicContact CG2-CG2 4.21Å; I451-I467 WeakPolarHBondContact O-CG2 3.33Å; I451-L470 HydrophobicContact CD1-CD2 3.62Å; I451-L470 HydrophobicContact CD1-CG 4Å; I451-L470 HydrophobicContact CG1-CD2 3.91Å; I451-L470 HydrophobicContact CG2-CB 4.46Å; I451-L470 HydrophobicContact CG2-CD2 4.17Å; I451-L470 HydrophobicContact CG2-CG 4.14Å; I451-R471 HydrophobicContact CG2-CG 3.57Å; I451-R471 PolarHBondContact O-NE 2.98Å; I451-R471 PolarHBondContact O-NH2 2.96Å; I451-V474 HydrophobicContact CD1-CG2 4.18Å |
| 452 | F | 86.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -90.3 | -11.5 | -176.8 | -66 | -79.2 | 0 | 0 | 0 | 114.8 | I448 T449 P450 R471 V474 S475 I513 V514 Q517 | I448-F452 HydrophobicContact CB-CD2 4.23Å; I448-F452 HydrophobicContact CB-CE2 4.05Å; I448-F452 HydrophobicContact CD1-CE2 4.45Å; I448-F452 HydrophobicContact CG1-CD2 4.43Å; I448-F452 HydrophobicContact CG1-CE2 4.46Å; I448-F452 VanDerWaalsContact O-CD2 3.3Å; I448-F452 WeakPolarHBondContact O-CD2 3.45Å; I448-F452 PolarHBondContact O-N 3.15Å; T449-F452 PolarHBondContact O-N 3.4Å; P450-F452 VanDerWaalsContact C-N 3.32Å; P450-F452 PolarHBondContact O-N 3.41Å; F452-R471 HydrophobicContact CD1-CB 4.43Å; F452-R471 HydrophobicContact CD1-CG 3.83Å; F452-R471 HydrophobicContact CE1-CB 3.87Å; F452-R471 HydrophobicContact CE1-CG 3.73Å; F452-R471 HydrophobicContact CZ-CB 4.43Å; F452-R471 HydrophobicContact CZ-CG 4.37Å; F452-V474 HydrophobicContact CE2-CG1 3.84Å; F452-V474 HydrophobicContact CZ-CB 4.42Å; F452-V474 HydrophobicContact CZ-CG1 4.01Å; F452-S475 WeakPolarHBondContact CZ-OG 3.35Å; F452-I513 HydrophobicContact CB-CG2 3.32Å; F452-I513 HydrophobicContact CD2-CG2 3.52Å; F452-I513 HydrophobicContact CE2-CG2 4.49Å; F452-I513 HydrophobicContact CG-CG2 3.56Å; F452-V514 HydrophobicContact CE2-CG2 4.23Å; F452-V514 HydrophobicContact CZ-CG2 4.03Å; F452-Q517 PolarHBondContact O-NE2 3.32Å; F452-Q517 PolarHBondContact O-OE1 3.24Å |
| 453 | K | 84.5 | Confident | 83.8 | Confident | 114 Ų | 114 | 41 Ų | 41 | 50% | 0.496 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -120.6 | 15.1 | -180 | -63.8 | -172 | -173.5 | 165.1 | 0 | 113.9 | T449 P450 S455 | T449-K453 HydrophobicContact CG2-CD 3.88Å; T449-K453 HydrophobicContact CG2-CG 4.39Å; T449-K453 WeakPolarHBondContact O-CB 3.43Å; T449-K453 PolarHBondContact O-N 3.28Å; P450-K453 PolarHBondContact O-N 3.43Å; K453-S455 PolarHBondContact O-N 2.93Å |
| 454 | C | 80.6 | Confident | 83.3 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | trans | -57.9 | 118.9 | 179.9 | -172.4 | 0 | 0 | 0 | 0 | 112 | P450 E457 I467 | P450-C454 WeakPolarHBondContact O-CA 3.34Å; P450-C454 WeakPolarHBondContact O-CB 3.31Å; P450-C454 PolarHBondContact O-N 3.25Å; C454-E457 HydrophobicContact CB-CG 4.11Å; C454-I467 HydrophobicContact CB-CD1 3.58Å; C454-I467 WeakPolarHBondContact SG-CD1 3.4Å | ||
| 455 | S | 76.3 | Confident | 82.8 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -69.7 | -35.3 | 178.5 | 45.1 | 0 | 0 | 0 | 0 | 112.9 | K453 E457 K458 | K453-S455 PolarHBondContact O-N 2.93Å; S455-E457 PolarHBondContact O-N 2.88Å; S455-E457 VanDerWaalsContact O-N 3.12Å; S455-K458 PolarHBondContact O-N 3.47Å |
| 456 | F | 75 | Confident | 82.2 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65.5 | -12.4 | -174.9 | -70.8 | -88 | 0 | 0 | 0 | 114.6 | Q355 G398 I399 H402 K458 E459 S460 V463 | Q355-F456 HydrophobicContact CG-CZ 4.15Å; G398-F456 VanDerWaalsContact C-CD2 3.45Å; G398-F456 VanDerWaalsContact CA-CD2 3.42Å; I399-F456 HydrophobicContact CG1-CZ 4.3Å; H402-F456 HydrophobicContact CB-CD1 3.74Å; H402-F456 HydrophobicContact CB-CE1 4.13Å; H402-F456 HydrophobicContact CB-CG 4.19Å; H402-F456 AromaticContact CG-CD1 3.74Å; H402-F456 AromaticContact ND1-CD1 3.56Å; F456-K458 PolarHBondContact O-N 3Å; F456-K458 VanDerWaalsContact O-N 3.17Å; F456-E459 WeakPolarHBondContact CD1-OE2 3.49Å; F456-E459 PolarHBondContact O-N 3.2Å; F456-S460 PolarHBondContact O-N 3.39Å; F456-V463 HydrophobicContact CB-CG1 4.22Å |
| 457 | E | 72.5 | Confident | 81.8 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -61.3 | -22.9 | 174.2 | -63.8 | -167 | 136.7 | 0 | 0 | 113.9 | C454 S455 E459 V463 R464 I467 R471 | C454-E457 HydrophobicContact CB-CG 4.11Å; S455-E457 PolarHBondContact O-N 2.88Å; S455-E457 VanDerWaalsContact O-N 3.12Å; E457-E459 VanDerWaalsContact C-N 3.28Å; E457-V463 HydrophobicContact CG-CG1 4.43Å; E457-R464 PolarHBondContact O-NE 3.46Å; E457-R464 PolarHBondContact O-NH2 3.09Å; E457-I467 HydrophobicContact CG-CD1 4.13Å; E457-I467 WeakPolarHBondContact OE1-CG2 3.1Å; E457-R471 VanDerWaalsContact CD-NH1 3.25Å; E457-R471 IonicContact OE1-CZ 2.59Å; E457-R471 IonicContact OE1-NE 2.7Å; E457-R471 IonicContact OE1-NH1 3.7Å; E457-R471 PolarHBondContact OE1-NH1 3.46Å; E457-R471 IonicContact OE1-NH2 2.59Å; E457-R471 PolarHBondContact OE1-NH2 3.38Å; E457-R471 IonicContact OE2-CZ 2.77Å; E457-R471 IonicContact OE2-NH1 3.76Å; E457-R471 PolarHBondContact OE2-NH1 3.32Å; E457-R471 IonicContact OE2-NH2 2.9Å; E457-R471 PolarHBondContact OE2-NH2 2.98Å |
| 458 | K | 76.9 | Confident | 81.2 | Confident | 187 Ų | 187 | 49.7 Ų | 49.7 | 81% | 0.813 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -74.3 | -24.3 | 174.9 | -66.6 | 179.9 | -178 | 174.1 | 0 | 111.9 | S455 F456 | S455-K458 PolarHBondContact O-N 3.47Å; F456-K458 PolarHBondContact O-N 3Å; F456-K458 VanDerWaalsContact O-N 3.17Å |
| 459 | E | 73.7 | Confident | 80.7 | Confident | 128 Ų | 128 | 53.2 Ų | 53.2 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -29.4 | -169.2 | -60.7 | 176.1 | -171 | 0 | 0 | 112.6 | F456 E457 | F456-E459 WeakPolarHBondContact CD1-OE2 3.49Å; F456-E459 PolarHBondContact O-N 3.2Å; E457-E459 VanDerWaalsContact C-N 3.28Å |
| 460 | S | 75.2 | Confident | 80.4 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.098 | 27% | 0.273 | C | S | . | . | trans | -137 | 123 | -177.1 | 172.3 | 0 | 0 | 0 | 0 | 112 | S405 F456 N462 V463 R464 | S405-S460 PolarHBondContact OG-OG 2.85Å; F456-S460 PolarHBondContact O-N 3.39Å; S460-N462 PolarHBondContact O-N 3.19Å; S460-N462 PolarHBondContact OG-N 2.98Å; S460-V463 PolarHBondContact O-N 3.11Å; S460-V463 PolarHBondContact OG-N 3.41Å; S460-R464 PolarHBondContact O-N 3.25Å | ||
| 461 | Q | 80.2 | Confident | 80.2 | Confident | 110 Ų | 110 | 53.3 Ų | 53.3 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -33 | 172.9 | -177.3 | 60.7 | 29.4 | 0 | 0 | 111.3 | R464 C465 | Q461-R464 WeakPolarHBondContact O-CB 3.15Å; Q461-R464 PolarHBondContact O-N 2.96Å; Q461-C465 PolarHBondContact O-N 3.15Å; Q461-C465 PolarHBondContact O-SG 3.45Å |
| 462 | N | 78.6 | Confident | 79.9 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 176.8 | -70.6 | -8.9 | 0 | 0 | 0 | 111.1 | S405 S460 R464 C465 V466 | S405-N462 PolarHBondContact O-ND2 3.47Å; S405-N462 VanDerWaalsContact O-ND2 3.16Å; S460-N462 PolarHBondContact O-N 3.19Å; S460-N462 PolarHBondContact OG-N 2.98Å; N462-R464 VanDerWaalsContact C-N 3.31Å; N462-R464 PolarHBondContact O-N 3.49Å; N462-C465 PolarHBondContact O-N 3.13Å; N462-V466 WeakPolarHBondContact O-CG2 3.46Å; N462-V466 PolarHBondContact O-N 3.3Å |
| 463 | V | 78.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.3 | -48.6 | 172.5 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | H402 S405 F456 E457 S460 C465 V466 I467 | H402-V463 HydrophobicContact CB-CG2 4.5Å; S405-V463 VanDerWaalsContact CB-CG2 3.47Å; S405-V463 WeakPolarHBondContact OG-CG2 3.45Å; F456-V463 HydrophobicContact CB-CG1 4.22Å; E457-V463 HydrophobicContact CG-CG1 4.43Å; S460-V463 PolarHBondContact O-N 3.11Å; S460-V463 PolarHBondContact OG-N 3.41Å; V463-C465 VanDerWaalsContact C-N 3.31Å; V463-C465 PolarHBondContact O-N 3.42Å; V463-V466 PolarHBondContact O-N 3.15Å; V463-I467 HydrophobicContact CG1-CD1 3.48Å; V463-I467 VanDerWaalsContact CG1-CD1 3.48Å; V463-I467 HydrophobicContact CG1-CG1 4.14Å; V463-I467 WeakPolarHBondContact O-CB 3.07Å; V463-I467 WeakPolarHBondContact O-CG1 3.18Å; V463-I467 PolarHBondContact O-N 3.15Å |
| 464 | R | 80.8 | Confident | 79.8 | Confident | 102 Ų | 102 | 57.6 Ų | 57.6 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.2 | -43.3 | 179.8 | -171.3 | -176.1 | -59.6 | 166.1 | 3.2 | 112.1 | E457 S460 Q461 N462 S468 | E457-R464 PolarHBondContact O-NE 3.46Å; E457-R464 PolarHBondContact O-NH2 3.09Å; S460-R464 PolarHBondContact O-N 3.25Å; Q461-R464 WeakPolarHBondContact O-CB 3.15Å; Q461-R464 PolarHBondContact O-N 2.96Å; N462-R464 VanDerWaalsContact C-N 3.31Å; N462-R464 PolarHBondContact O-N 3.49Å; R464-S468 WeakPolarHBondContact O-CB 3.48Å; R464-S468 PolarHBondContact O-N 3.03Å; R464-S468 PolarHBondContact O-OG 3.35Å |
| 465 | C | 80.6 | Confident | 79.8 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 178.8 | -75.1 | 0 | 0 | 0 | 0 | 112.1 | Q461 N462 V463 S468 S469 | Q461-C465 PolarHBondContact O-N 3.15Å; Q461-C465 PolarHBondContact O-SG 3.45Å; N462-C465 PolarHBondContact O-N 3.13Å; V463-C465 VanDerWaalsContact C-N 3.31Å; V463-C465 PolarHBondContact O-N 3.42Å; C465-S468 PolarHBondContact O-N 3.13Å; C465-S469 PolarHBondContact O-N 2.89Å; C465-S469 VanDerWaalsContact O-N 3.17Å; C465-S469 PolarHBondContact O-OG 2.9Å |
| 466 | V | 79 | Confident | 80 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -46.1 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | Y401 N462 V463 S468 S469 L470 | Y401-V466 HydrophobicContact CD1-CB 4.45Å; Y401-V466 HydrophobicContact CD1-CG1 3.78Å; Y401-V466 HydrophobicContact CE1-CG1 3.46Å; Y401-V466 VanDerWaalsContact CE1-CG1 3.46Å; N462-V466 WeakPolarHBondContact O-CG2 3.46Å; N462-V466 PolarHBondContact O-N 3.3Å; V463-V466 PolarHBondContact O-N 3.15Å; V466-S468 PolarHBondContact O-N 3.21Å; V466-S469 PolarHBondContact O-N 3.39Å; V466-L470 PolarHBondContact O-N 3.1Å |
| 467 | I | 83.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 179.3 | -65.5 | -177.1 | 0 | 0 | 0 | 111.2 | Y401 I451 C454 E457 V463 S469 L470 R471 | Y401-I467 HydrophobicContact CD1-CG1 4.43Å; Y401-I467 HydrophobicContact CD2-CD1 4.22Å; Y401-I467 HydrophobicContact CD2-CG1 4.19Å; Y401-I467 HydrophobicContact CG-CD1 4.31Å; Y401-I467 HydrophobicContact CG-CG1 4.15Å; I451-I467 HydrophobicContact CG2-CG2 4.21Å; I451-I467 WeakPolarHBondContact O-CG2 3.33Å; C454-I467 HydrophobicContact CB-CD1 3.58Å; C454-I467 WeakPolarHBondContact SG-CD1 3.4Å; E457-I467 HydrophobicContact CG-CD1 4.13Å; E457-I467 WeakPolarHBondContact OE1-CG2 3.1Å; V463-I467 HydrophobicContact CG1-CD1 3.48Å; V463-I467 VanDerWaalsContact CG1-CD1 3.48Å; V463-I467 HydrophobicContact CG1-CG1 4.14Å; V463-I467 WeakPolarHBondContact O-CB 3.07Å; V463-I467 WeakPolarHBondContact O-CG1 3.18Å; V463-I467 PolarHBondContact O-N 3.15Å; I467-S469 PolarHBondContact O-N 3.2Å; I467-L470 PolarHBondContact O-N 3.08Å; I467-R471 HydrophobicContact CG2-CG 4.16Å; I467-R471 WeakPolarHBondContact O-CB 3.32Å; I467-R471 VanDerWaalsContact O-CG 3.28Å; I467-R471 WeakPolarHBondContact O-CG 3.27Å; I467-R471 PolarHBondContact O-N 3.29Å |
| 468 | S | 82.4 | Confident | 80.7 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.6 | -63 | 0 | 0 | 0 | 0 | 111.9 | R464 C465 V466 L470 R471 E472 | R464-S468 WeakPolarHBondContact O-CB 3.48Å; R464-S468 PolarHBondContact O-N 3.03Å; R464-S468 PolarHBondContact O-OG 3.35Å; C465-S468 PolarHBondContact O-N 3.13Å; V466-S468 PolarHBondContact O-N 3.21Å; S468-L470 PolarHBondContact O-N 2.92Å; S468-R471 WeakPolarHBondContact O-CB 3.49Å; S468-R471 PolarHBondContact O-N 2.86Å; S468-E472 WeakPolarHBondContact O-CG 3.27Å; S468-E472 PolarHBondContact O-N 3.36Å |
| 469 | S | 81.5 | Confident | 80.5 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 53% | 0.531 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 176 | -63 | 0 | 0 | 0 | 0 | 112.1 | C465 V466 I467 E472 E473 | C465-S469 PolarHBondContact O-N 2.89Å; C465-S469 VanDerWaalsContact O-N 3.17Å; C465-S469 PolarHBondContact O-OG 2.9Å; V466-S469 PolarHBondContact O-N 3.39Å; I467-S469 PolarHBondContact O-N 3.2Å; S469-E472 PolarHBondContact O-N 3.24Å; S469-E473 PolarHBondContact O-N 2.88Å; S469-E473 VanDerWaalsContact O-N 3.17Å |
| 470 | L | 83.7 | Confident | 80.6 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.4 | -175.8 | 61.5 | 0 | 0 | 0 | 112 | Y401 P421 Y425 I451 V466 I467 S468 E473 V474 | Y401-L470 VanDerWaalsContact OH-CD2 3.24Å; Y401-L470 WeakPolarHBondContact OH-CD2 3.43Å; P421-L470 HydrophobicContact CB-CD1 4.36Å; Y425-L470 HydrophobicContact CE1-CD1 4.28Å; Y425-L470 WeakPolarHBondContact OH-CD1 3.41Å; I451-L470 HydrophobicContact CD1-CD2 3.62Å; I451-L470 HydrophobicContact CD1-CG 4Å; I451-L470 HydrophobicContact CG1-CD2 3.91Å; I451-L470 HydrophobicContact CG2-CB 4.46Å; I451-L470 HydrophobicContact CG2-CD2 4.17Å; I451-L470 HydrophobicContact CG2-CG 4.14Å; V466-L470 PolarHBondContact O-N 3.1Å; I467-L470 PolarHBondContact O-N 3.08Å; S468-L470 PolarHBondContact O-N 2.92Å; L470-E473 PolarHBondContact O-N 3.22Å; L470-V474 HydrophobicContact CD1-CG2 4.02Å; L470-V474 HydrophobicContact CG-CG2 4.2Å; L470-V474 WeakPolarHBondContact O-CB 3.35Å; L470-V474 VanDerWaalsContact O-CG2 3.23Å; L470-V474 WeakPolarHBondContact O-CG2 3.28Å; L470-V474 PolarHBondContact O-N 3.44Å |
| 471 | R | 86 | Confident | 80.1 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.2 | -77 | 174.8 | -179.5 | 173.6 | 1.2 | 112.3 | I451 F452 E457 I467 S468 E473 S475 Q517 | I451-R471 HydrophobicContact CG2-CG 3.57Å; I451-R471 PolarHBondContact O-NE 2.98Å; I451-R471 PolarHBondContact O-NH2 2.96Å; F452-R471 HydrophobicContact CD1-CB 4.43Å; F452-R471 HydrophobicContact CD1-CG 3.83Å; F452-R471 HydrophobicContact CE1-CB 3.87Å; F452-R471 HydrophobicContact CE1-CG 3.73Å; F452-R471 HydrophobicContact CZ-CB 4.43Å; F452-R471 HydrophobicContact CZ-CG 4.37Å; E457-R471 VanDerWaalsContact CD-NH1 3.25Å; E457-R471 IonicContact OE1-CZ 2.59Å; E457-R471 IonicContact OE1-NE 2.7Å; E457-R471 IonicContact OE1-NH1 3.7Å; E457-R471 PolarHBondContact OE1-NH1 3.46Å; E457-R471 IonicContact OE1-NH2 2.59Å; E457-R471 PolarHBondContact OE1-NH2 3.38Å; E457-R471 IonicContact OE2-CZ 2.77Å; E457-R471 IonicContact OE2-NH1 3.76Å; E457-R471 PolarHBondContact OE2-NH1 3.32Å; E457-R471 IonicContact OE2-NH2 2.9Å; E457-R471 PolarHBondContact OE2-NH2 2.98Å; I467-R471 HydrophobicContact CG2-CG 4.16Å; I467-R471 WeakPolarHBondContact O-CB 3.32Å; I467-R471 VanDerWaalsContact O-CG 3.28Å; I467-R471 WeakPolarHBondContact O-CG 3.27Å; I467-R471 PolarHBondContact O-N 3.29Å; S468-R471 WeakPolarHBondContact O-CB 3.49Å; S468-R471 PolarHBondContact O-N 2.86Å; R471-E473 VanDerWaalsContact C-N 3.34Å; R471-S475 WeakPolarHBondContact O-CB 3.22Å; R471-S475 PolarHBondContact O-N 2.98Å; R471-S475 PolarHBondContact O-OG 3.35Å; R471-Q517 VanDerWaalsContact NH1-OE1 3.08Å |
| 472 | E | 81.9 | Confident | 79.7 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.8 | -46.3 | 179.1 | -75.3 | -179.9 | 175.5 | 0 | 0 | 110.5 | S468 S469 S475 Y476 | S468-E472 WeakPolarHBondContact O-CG 3.27Å; S468-E472 PolarHBondContact O-N 3.36Å; S469-E472 PolarHBondContact O-N 3.24Å; E472-S475 PolarHBondContact O-N 2.6Å; E472-Y476 WeakPolarHBondContact O-CB 3.28Å; E472-Y476 PolarHBondContact O-N 3.14Å |
| 473 | E | 83.6 | Confident | 79.2 | Confident | 71 Ų | 71 | 59 Ų | 59 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 178.9 | -172.3 | 179.5 | 177.9 | 0 | 0 | 112.8 | Y425 S469 L470 R471 S475 Y476 R477 | Y425-E473 HydrophobicContact CE1-CG 4.14Å; Y425-E473 PolarHBondContact OH-OE1 2.95Å; Y425-E473 PolarHBondContact OH-OE2 3.16Å; S469-E473 PolarHBondContact O-N 2.88Å; S469-E473 VanDerWaalsContact O-N 3.17Å; L470-E473 PolarHBondContact O-N 3.22Å; R471-E473 VanDerWaalsContact C-N 3.34Å; E473-S475 VanDerWaalsContact C-N 3.29Å; E473-S475 PolarHBondContact O-N 3Å; E473-Y476 PolarHBondContact O-N 2.79Å; E473-R477 WeakPolarHBondContact O-CG 3.37Å; E473-R477 PolarHBondContact O-N 3.4Å; E473-R477 IonicContact OE1-CZ 2.9Å; E473-R477 VanDerWaalsContact OE1-CZ 3.32Å; E473-R477 IonicContact OE1-NE 2.9Å; E473-R477 PolarHBondContact OE1-NE 3.48Å; E473-R477 VanDerWaalsContact OE1-NE 3.16Å; E473-R477 IonicContact OE1-NH2 3.65Å; E473-R477 PolarHBondContact OE1-NH2 3.09Å |
| 474 | V | 85.5 | Confident | 79 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 177.9 | 167.4 | 0 | 0 | 0 | 0 | 110.4 | V424 L428 I448 I451 F452 L470 R477 L478 | V424-V474 HydrophobicContact CG1-CG1 4.5Å; V424-V474 HydrophobicContact CG1-CG2 3.66Å; L428-V474 HydrophobicContact CD1-CG1 4.3Å; L428-V474 HydrophobicContact CD1-CG2 4.43Å; I448-V474 HydrophobicContact CB-CG1 4.38Å; I448-V474 HydrophobicContact CG2-CG1 3.82Å; I451-V474 HydrophobicContact CD1-CG2 4.18Å; F452-V474 HydrophobicContact CE2-CG1 3.84Å; F452-V474 HydrophobicContact CZ-CB 4.42Å; F452-V474 HydrophobicContact CZ-CG1 4.01Å; L470-V474 HydrophobicContact CD1-CG2 4.02Å; L470-V474 HydrophobicContact CG-CG2 4.2Å; L470-V474 WeakPolarHBondContact O-CB 3.35Å; L470-V474 VanDerWaalsContact O-CG2 3.23Å; L470-V474 WeakPolarHBondContact O-CG2 3.28Å; L470-V474 PolarHBondContact O-N 3.44Å; V474-R477 PolarHBondContact O-N 2.97Å; V474-L478 HydrophobicContact CG1-CD1 3.7Å; V474-L478 HydrophobicContact CG1-CG 4.33Å; V474-L478 VanDerWaalsContact O-CB 3.31Å; V474-L478 WeakPolarHBondContact O-CB 3.44Å; V474-L478 VanDerWaalsContact O-CG 3.28Å; V474-L478 WeakPolarHBondContact O-CG 3.31Å; V474-L478 PolarHBondContact O-N 2.92Å |
| 475 | S | 81.1 | Confident | 78.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.2 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | F452 R471 E472 E473 R477 L478 L479 G518 | F452-S475 WeakPolarHBondContact CZ-OG 3.35Å; R471-S475 WeakPolarHBondContact O-CB 3.22Å; R471-S475 PolarHBondContact O-N 2.98Å; R471-S475 PolarHBondContact O-OG 3.35Å; E472-S475 PolarHBondContact O-N 2.6Å; E473-S475 VanDerWaalsContact C-N 3.29Å; E473-S475 PolarHBondContact O-N 3Å; S475-R477 PolarHBondContact O-N 2.59Å; S475-L478 PolarHBondContact O-N 2.94Å; S475-L479 VanDerWaalsContact O-CB 3.26Å; S475-L479 WeakPolarHBondContact O-CB 3.41Å; S475-L479 WeakPolarHBondContact O-CD1 3.37Å; S475-L479 WeakPolarHBondContact O-CG 3.25Å; S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.11Å; S475-G518 PolarHBondContact OG-O 2.99Å |
| 476 | Y | 78.6 | Confident | 78.4 | Confident | 169 Ų | 169 | 52.7 Ų | 52.7 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.5 | -46.8 | 176.5 | 178.7 | -99.7 | 0 | 0 | 0 | 111.9 | E472 E473 L479 D480 | E472-Y476 WeakPolarHBondContact O-CB 3.28Å; E472-Y476 PolarHBondContact O-N 3.14Å; E473-Y476 PolarHBondContact O-N 2.79Å; Y476-L479 PolarHBondContact O-N 3.3Å; Y476-D480 PolarHBondContact O-N 3.22Å; Y476-D480 VanDerWaalsContact O-N 3.12Å |
| 477 | R | 82.5 | Confident | 78.2 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 178.8 | -69.1 | 176.9 | -176.8 | -129 | 10.2 | 113.3 | L428 E473 V474 S475 L479 | L428-R477 HydrophobicContact CD1-CB 3.96Å; E473-R477 WeakPolarHBondContact O-CG 3.37Å; E473-R477 PolarHBondContact O-N 3.4Å; E473-R477 IonicContact OE1-CZ 2.9Å; E473-R477 VanDerWaalsContact OE1-CZ 3.32Å; E473-R477 IonicContact OE1-NE 2.9Å; E473-R477 PolarHBondContact OE1-NE 3.48Å; E473-R477 VanDerWaalsContact OE1-NE 3.16Å; E473-R477 IonicContact OE1-NH2 3.65Å; E473-R477 PolarHBondContact OE1-NH2 3.09Å; V474-R477 PolarHBondContact O-N 2.97Å; S475-R477 PolarHBondContact O-N 2.59Å; R477-L479 PolarHBondContact O-N 2.98Å |
| 478 | L | 80.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.7 | -84 | 168.7 | 0 | 0 | 0 | 112.4 | L428 L431 I448 V474 S475 L485 I510 V514 | L428-L478 HydrophobicContact CD2-CD1 4.33Å; L428-L478 HydrophobicContact CD2-CD2 3.21Å; L428-L478 HydrophobicContact CD2-CG 3.43Å; L428-L478 VanDerWaalsContact CD2-CG 3.43Å; L431-L478 HydrophobicContact CD1-CD2 3.95Å; I448-L478 HydrophobicContact CD1-CD1 3.88Å; V474-L478 HydrophobicContact CG1-CD1 3.7Å; V474-L478 HydrophobicContact CG1-CG 4.33Å; V474-L478 VanDerWaalsContact O-CB 3.31Å; V474-L478 WeakPolarHBondContact O-CB 3.44Å; V474-L478 VanDerWaalsContact O-CG 3.28Å; V474-L478 WeakPolarHBondContact O-CG 3.31Å; V474-L478 PolarHBondContact O-N 2.92Å; S475-L478 PolarHBondContact O-N 2.94Å; L478-L485 VanDerWaalsContact O-CB 3.3Å; L478-L485 WeakPolarHBondContact O-CB 3.3Å; L478-L485 PolarHBondContact O-N 2.98Å; L478-I510 HydrophobicContact CD1-CG2 4.32Å; L478-I510 HydrophobicContact CD2-CG2 4.16Å; L478-V514 HydrophobicContact CD1-CG2 3.7Å |
| 479 | L | 73.4 | Confident | 77.4 | Confident | 28 Ų | 28 | 51.4 Ų | 51.4 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.8 | -168.8 | -58.6 | 175.7 | 0 | 0 | 0 | 113.7 | S475 Y476 R477 E481 F486 V514 I519 T527 | S475-L479 VanDerWaalsContact O-CB 3.26Å; S475-L479 WeakPolarHBondContact O-CB 3.41Å; S475-L479 WeakPolarHBondContact O-CD1 3.37Å; S475-L479 WeakPolarHBondContact O-CG 3.25Å; S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.11Å; Y476-L479 PolarHBondContact O-N 3.3Å; R477-L479 PolarHBondContact O-N 2.98Å; L479-E481 PolarHBondContact O-N 3.47Å; L479-F486 WeakPolarHBondContact O-CE2 3.45Å; L479-V514 HydrophobicContact CD1-CG1 4.26Å; L479-I519 HydrophobicContact CD1-CD1 4.14Å; L479-I519 HydrophobicContact CD1-CG2 4.15Å; L479-T527 HydrophobicContact CD1-CG2 4.44Å; L479-T527 WeakPolarHBondContact CD1-OG1 3.39Å; L479-T527 HydrophobicContact CD2-CG2 3.24Å; L479-T527 WeakPolarHBondContact CD2-OG1 3.37Å; L479-T527 HydrophobicContact CG-CG2 4.4Å |
| 480 | D | 74.3 | Confident | 76.9 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | trans | -60.9 | 130.4 | 174.9 | 179 | 65.3 | 0 | 0 | 0 | 110.1 | Y476 N482 S483 | Y476-D480 PolarHBondContact O-N 3.22Å; Y476-D480 VanDerWaalsContact O-N 3.12Å; D480-N482 PolarHBondContact O-N 2.95Å; D480-N482 WeakPolarHBondContact OD2-CA 2.93Å; D480-N482 WeakPolarHBondContact OD2-CB 3.32Å; D480-N482 PolarHBondContact OD2-N 3.34Å; D480-N482 VanDerWaalsContact OD2-N 3.13Å; D480-S483 WeakPolarHBondContact CB-OG 3.23Å; D480-S483 PolarHBondContact O-N 3.1Å; D480-S483 WeakPolarHBondContact OD2-CB 3.35Å; D480-S483 PolarHBondContact OD2-N 3.01Å; D480-S483 PolarHBondContact OD2-OG 2.98Å | ||
| 481 | E | 66.4 | Low | 76.4 | Confident | 165 Ų | 165 | 54 Ų | 54 | 77% | 0.771 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.7 | -176.8 | -66.1 | 179.9 | 172.6 | 0 | 0 | 112.4 | L479 | L479-E481 PolarHBondContact O-N 3.47Š|
| 482 | N | 70.9 | Confident | 75.7 | Confident | 138 Ų | 138 | 53.5 Ų | 53.5 | 74% | 0.738 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -5.3 | -175.8 | -57.5 | -63.2 | 0 | 0 | 0 | 113.3 | D480 | D480-N482 PolarHBondContact O-N 2.95Å; D480-N482 WeakPolarHBondContact OD2-CA 2.93Å; D480-N482 WeakPolarHBondContact OD2-CB 3.32Å; D480-N482 PolarHBondContact OD2-N 3.34Å; D480-N482 VanDerWaalsContact OD2-N 3.13Å |
| 483 | S | 68.6 | Low | 75.1 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -151 | -171.5 | -175.4 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | D480 | D480-S483 WeakPolarHBondContact CB-OG 3.23Å; D480-S483 PolarHBondContact O-N 3.1Å; D480-S483 WeakPolarHBondContact OD2-CB 3.35Å; D480-S483 PolarHBondContact OD2-N 3.01Å; D480-S483 PolarHBondContact OD2-OG 2.98Å |
| 484 | G | 75.2 | Confident | 74.7 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | 63.4 | -136.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A488 | G484-A488 PolarHBondContact O-N 3.29Å |
| 485 | L | 76.7 | Confident | 74.2 | Confident | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.4 | -35 | -168.4 | -173.3 | 65.5 | 0 | 0 | 0 | 113 | L441 L478 A488 L489 A507 I510 V511 | L441-L485 HydrophobicContact CD2-CD1 3.7Å; L478-L485 VanDerWaalsContact O-CB 3.3Å; L478-L485 WeakPolarHBondContact O-CB 3.3Å; L478-L485 PolarHBondContact O-N 2.98Å; L485-A488 PolarHBondContact O-N 3.3Å; L485-L489 HydrophobicContact CD1-CD1 4.2Å; L485-L489 HydrophobicContact CD1-CG 4.22Å; L485-L489 HydrophobicContact CD2-CD1 4.33Å; L485-L489 HydrophobicContact CG-CD1 3.84Å; L485-L489 HydrophobicContact CG-CG 4.26Å; L485-L489 WeakPolarHBondContact O-CB 3.33Å; L485-L489 VanDerWaalsContact O-CG 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.35Å; L485-L489 PolarHBondContact O-N 2.85Å; L485-A507 HydrophobicContact CD1-CB 3.95Å; L485-I510 HydrophobicContact CD1-CD1 4.47Å; L485-I510 HydrophobicContact CD2-CG2 4.11Å; L485-V511 HydrophobicContact CD2-CG2 3.59Å |
| 486 | F | 71.7 | Confident | 74.2 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 179.7 | -77.1 | -63.3 | 0 | 0 | 0 | 111.9 | L479 L489 N490 G530 | L479-F486 WeakPolarHBondContact O-CE2 3.45Å; F486-L489 PolarHBondContact O-N 3.22Å; F486-N490 PolarHBondContact O-N 3.13Å; F486-N490 PolarHBondContact O-ND2 2.98Å; F486-G530 VanDerWaalsContact CE1-C 3.41Å; F486-G530 VanDerWaalsContact CE1-CA 3.47Å |
| 487 | L | 73.4 | Confident | 74.1 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.6 | -170 | 66.3 | 0 | 0 | 0 | 111.1 | T432 L489 N490 N491 | T432-L487 HydrophobicContact CG2-CD2 3.57Å; L487-L489 VanDerWaalsContact C-N 3.29Å; L487-L489 PolarHBondContact O-N 3.2Å; L487-N490 PolarHBondContact O-N 2.87Å; L487-N491 VanDerWaalsContact O-CG 3.3Å; L487-N491 PolarHBondContact O-N 3.01Å; L487-N491 PolarHBondContact O-ND2 3.45Å |
| 488 | A | 76.9 | Confident | 73.7 | Confident | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.9 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L431 L441 G484 L485 N491 V492 | L431-A488 HydrophobicContact CB-CB 4.37Å; L431-A488 WeakPolarHBondContact O-CB 3.3Å; L441-A488 HydrophobicContact CD2-CB 4.29Å; G484-A488 PolarHBondContact O-N 3.29Å; L485-A488 PolarHBondContact O-N 3.3Å; A488-N491 PolarHBondContact O-N 3.14Å; A488-V492 WeakPolarHBondContact O-CG2 3.49Å; A488-V492 PolarHBondContact O-N 3.48Å |
| 489 | L | 72.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.4 | -35 | -178.4 | -75.4 | 176.4 | 0 | 0 | 0 | 114.3 | L485 F486 L487 N491 V492 A507 L534 W536 | L485-L489 HydrophobicContact CD1-CD1 4.2Å; L485-L489 HydrophobicContact CD1-CG 4.22Å; L485-L489 HydrophobicContact CD2-CD1 4.33Å; L485-L489 HydrophobicContact CG-CD1 3.84Å; L485-L489 HydrophobicContact CG-CG 4.26Å; L485-L489 WeakPolarHBondContact O-CB 3.33Å; L485-L489 VanDerWaalsContact O-CG 3.29Å; L485-L489 WeakPolarHBondContact O-CG 3.35Å; L485-L489 PolarHBondContact O-N 2.85Å; F486-L489 PolarHBondContact O-N 3.22Å; L487-L489 VanDerWaalsContact C-N 3.29Å; L487-L489 PolarHBondContact O-N 3.2Å; L489-N491 PolarHBondContact O-N 2.82Å; L489-V492 HydrophobicContact CD2-CG2 4.04Å; L489-V492 PolarHBondContact O-N 2.88Å; L489-A507 HydrophobicContact CD1-CB 4.05Å; L489-A507 HydrophobicContact CD2-CB 3.5Å; L489-A507 VanDerWaalsContact CD2-CB 3.5Å; L489-A507 HydrophobicContact CG-CB 4.14Å; L489-L534 HydrophobicContact CB-CD1 3.86Å; L489-L534 HydrophobicContact CB-CD2 3.81Å; L489-L534 HydrophobicContact CD1-CD1 3.39Å; L489-L534 HydrophobicContact CG-CD1 4.14Å; L489-W536 HydrophobicContact CD2-CZ2 3.81Å |
| 490 | N | 70.8 | Confident | 73.7 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -31.4 | 172.7 | -78.5 | -26.2 | 0 | 0 | 0 | 111.8 | F486 L487 | F486-N490 PolarHBondContact O-N 3.13Å; F486-N490 PolarHBondContact O-ND2 2.98Å; L487-N490 PolarHBondContact O-N 2.87Å |
| 491 | N | 73.2 | Confident | 73.7 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -86.5 | -14 | -178.1 | -66.4 | -31.1 | 0 | 0 | 0 | 114.2 | L434 L487 A488 L489 A493 A494 | L434-N491 HydrophobicContact CD2-CB 3.28Å; L434-N491 VanDerWaalsContact CD2-ND2 3.33Å; L434-N491 WeakPolarHBondContact CD2-ND2 3.32Å; L487-N491 VanDerWaalsContact O-CG 3.3Å; L487-N491 PolarHBondContact O-N 3.01Å; L487-N491 PolarHBondContact O-ND2 3.45Å; A488-N491 PolarHBondContact O-N 3.14Å; L489-N491 PolarHBondContact O-N 2.82Å; N491-A493 PolarHBondContact O-N 3.25Å; N491-A493 VanDerWaalsContact O-N 3.13Å; N491-A494 WeakPolarHBondContact O-CB 3.38Å; N491-A494 PolarHBondContact O-N 2.89Å |
| 492 | V | 72 | Confident | 74.3 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -55.6 | -33.1 | 178.6 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | A488 L489 A494 L495 Q500 I504 | A488-V492 WeakPolarHBondContact O-CG2 3.49Å; A488-V492 PolarHBondContact O-N 3.48Å; L489-V492 HydrophobicContact CD2-CG2 4.04Å; L489-V492 PolarHBondContact O-N 2.88Å; V492-A494 PolarHBondContact O-N 3.35Å; V492-L495 WeakPolarHBondContact O-CB 3.48Å; V492-L495 PolarHBondContact O-N 3.08Å; V492-Q500 HydrophobicContact CG1-CB 3.94Å; V492-Q500 HydrophobicContact CG1-CG 3.99Å; V492-Q500 WeakPolarHBondContact O-CG 3.37Å; V492-I504 HydrophobicContact CG1-CG1 4.31Å |
| 493 | A | 69.5 | Low | 74.7 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 65% | 0.645 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -58.7 | -20 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N491 Q500 | N491-A493 PolarHBondContact O-N 3.25Å; N491-A493 VanDerWaalsContact O-N 3.13Å; A493-Q500 PolarHBondContact O-NE2 3.15Å |
| 494 | A | 75.4 | Confident | 75 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 76% | 0.76 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -83.7 | -12.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N491 V492 | N491-A494 WeakPolarHBondContact O-CB 3.38Å; N491-A494 PolarHBondContact O-N 2.89Å; V492-A494 PolarHBondContact O-N 3.35Å |
| 495 | L | 75.8 | Confident | 75.2 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -81.7 | 161 | -177.8 | -61.5 | 176.5 | 0 | 0 | 0 | 112.1 | V492 E499 Q500 | V492-L495 WeakPolarHBondContact O-CB 3.48Å; V492-L495 PolarHBondContact O-N 3.08Å; L495-E499 HydrophobicContact CB-CB 4.09Å; L495-E499 HydrophobicContact CD1-CB 4.43Å; L495-Q500 HydrophobicContact CB-CG 4.11Å; L495-Q500 WeakPolarHBondContact O-CG 3.36Å; L495-Q500 PolarHBondContact O-NE2 2.83Å |
| 496 | P | 79.8 | Confident | 75.5 | Confident | 80 Ų | 80 | 50.7 Ų | 50.7 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | trans | -58.3 | 148.5 | 168.6 | -22.1 | 33.4 | 0 | 0 | 0 | 112.3 | E498 E499 Q500 | P496-E498 VanDerWaalsContact C-N 3.28Å; P496-E498 PolarHBondContact O-N 3.42Å; P496-E498 VanDerWaalsContact O-N 3.11Å; P496-E499 WeakPolarHBondContact O-CB 2.94Å; P496-E499 PolarHBondContact O-N 2.83Å; P496-Q500 WeakPolarHBondContact O-CG 3.44Å; P496-Q500 PolarHBondContact O-N 3.29Å | ||
| 497 | A | 76.6 | Confident | 75.8 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.3 | -38.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q500 T501 | A497-Q500 WeakPolarHBondContact O-CB 3.27Å; A497-Q500 PolarHBondContact O-N 3.03Å; A497-T501 PolarHBondContact O-N 3.34Å; A497-T501 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-OG1 3.14Å |
| 498 | E | 73.6 | Confident | 75.8 | Confident | 166 Ų | 166 | 47.5 Ų | 47.5 | 78% | 0.776 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 177.5 | -173.7 | 176.6 | -177.6 | 0 | 0 | 112.6 | P496 Q500 T501 T502 | P496-E498 VanDerWaalsContact C-N 3.28Å; P496-E498 PolarHBondContact O-N 3.42Å; P496-E498 VanDerWaalsContact O-N 3.11Å; E498-Q500 VanDerWaalsContact C-N 3.34Å; E498-T501 PolarHBondContact O-N 3.43Å; E498-T502 PolarHBondContact O-N 3.36Å; E498-T502 VanDerWaalsContact O-N 3.13Å; E498-T502 PolarHBondContact O-OG1 3.27Å |
| 499 | E | 78.4 | Confident | 76 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 174.5 | -72.4 | -175.2 | -159.4 | 0 | 0 | 111.8 | V438 L495 P496 T502 S503 | V438-E499 HydrophobicContact CG2-CB 3.65Å; V438-E499 HydrophobicContact CG2-CG 4Å; V438-E499 VanDerWaalsContact CG2-O 3.22Å; V438-E499 WeakPolarHBondContact CG2-O 3.32Å; L495-E499 HydrophobicContact CB-CB 4.09Å; L495-E499 HydrophobicContact CD1-CB 4.43Å; P496-E499 WeakPolarHBondContact O-CB 2.94Å; P496-E499 PolarHBondContact O-N 2.83Å; E499-T502 PolarHBondContact O-N 3.36Å; E499-S503 VanDerWaalsContact O-CB 3.27Å; E499-S503 WeakPolarHBondContact O-CB 3.35Å; E499-S503 PolarHBondContact O-N 3.24Å; E499-S503 PolarHBondContact O-OG 2.97Å |
| 500 | Q | 75.5 | Confident | 76.5 | Confident | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.229 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.3 | -55.1 | 172.5 | -64.2 | -175.3 | 11.8 | 0 | 0 | 110.4 | V492 A493 L495 P496 A497 E498 T502 S503 I504 | V492-Q500 HydrophobicContact CG1-CB 3.94Å; V492-Q500 HydrophobicContact CG1-CG 3.99Å; V492-Q500 WeakPolarHBondContact O-CG 3.37Å; A493-Q500 PolarHBondContact O-NE2 3.15Å; L495-Q500 HydrophobicContact CB-CG 4.11Å; L495-Q500 WeakPolarHBondContact O-CG 3.36Å; L495-Q500 PolarHBondContact O-NE2 2.83Å; P496-Q500 WeakPolarHBondContact O-CG 3.44Å; P496-Q500 PolarHBondContact O-N 3.29Å; A497-Q500 WeakPolarHBondContact O-CB 3.27Å; A497-Q500 PolarHBondContact O-N 3.03Å; E498-Q500 VanDerWaalsContact C-N 3.34Å; Q500-T502 VanDerWaalsContact C-N 3.26Å; Q500-T502 PolarHBondContact O-N 3.44Å; Q500-S503 PolarHBondContact O-N 3.49Å; Q500-I504 VanDerWaalsContact O-CB 3.25Å; Q500-I504 WeakPolarHBondContact O-CB 3.45Å; Q500-I504 WeakPolarHBondContact O-CD1 3.36Å; Q500-I504 WeakPolarHBondContact O-CG1 3.35Å; Q500-I504 PolarHBondContact O-N 3.36Å |
| 501 | T | 74.1 | Confident | 76.8 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 30% | 0.301 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.3 | -42 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | A497 E498 I504 V505 L545 | A497-T501 PolarHBondContact O-N 3.34Å; A497-T501 VanDerWaalsContact O-N 3.1Å; A497-T501 PolarHBondContact O-OG1 3.14Å; E498-T501 PolarHBondContact O-N 3.43Å; T501-I504 WeakPolarHBondContact O-CB 3.37Å; T501-V505 VanDerWaalsContact O-CG2 3.32Å; T501-V505 WeakPolarHBondContact O-CG2 2.9Å; T501-V505 PolarHBondContact O-N 3.25Å; T501-V505 VanDerWaalsContact O-N 3.09Å; T501-L545 HydrophobicContact CG2-CD2 4.06Å |
| 502 | T | 80 | Confident | 76.8 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 32% | 0.319 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | V438 E498 E499 Q500 I504 V505 V506 | V438-T502 HydrophobicContact CG1-CG2 3.6Å; E498-T502 PolarHBondContact O-N 3.36Å; E498-T502 VanDerWaalsContact O-N 3.13Å; E498-T502 PolarHBondContact O-OG1 3.27Å; E499-T502 PolarHBondContact O-N 3.36Å; Q500-T502 VanDerWaalsContact C-N 3.26Å; Q500-T502 PolarHBondContact O-N 3.44Å; T502-I504 VanDerWaalsContact C-N 3.26Å; T502-I504 PolarHBondContact O-N 3.48Å; T502-V505 PolarHBondContact O-N 2.83Å; T502-V506 HydrophobicContact CG2-CG2 4.48Å; T502-V506 WeakPolarHBondContact O-CG2 3.21Å; T502-V506 PolarHBondContact O-N 3.17Å |
| 503 | S | 80 | Confident | 77.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -44.8 | 176 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | V438 E499 Q500 V506 A507 | V438-S503 WeakPolarHBondContact CG2-OG 3.37Å; E499-S503 VanDerWaalsContact O-CB 3.27Å; E499-S503 WeakPolarHBondContact O-CB 3.35Å; E499-S503 PolarHBondContact O-N 3.24Å; E499-S503 PolarHBondContact O-OG 2.97Å; Q500-S503 PolarHBondContact O-N 3.49Å; S503-V506 PolarHBondContact O-N 3.49Å; S503-A507 VanDerWaalsContact O-CB 3.27Å; S503-A507 WeakPolarHBondContact O-CB 3.32Å; S503-A507 PolarHBondContact O-N 3.43Å |
| 504 | I | 74.9 | Confident | 77.6 | Confident | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.9 | -48.1 | 178.2 | -76.1 | 172.4 | 0 | 0 | 0 | 111.1 | V492 Q500 T501 T502 T508 W536 L545 F553 | V492-I504 HydrophobicContact CG1-CG1 4.31Å; Q500-I504 VanDerWaalsContact O-CB 3.25Å; Q500-I504 WeakPolarHBondContact O-CB 3.45Å; Q500-I504 WeakPolarHBondContact O-CD1 3.36Å; Q500-I504 WeakPolarHBondContact O-CG1 3.35Å; Q500-I504 PolarHBondContact O-N 3.36Å; T501-I504 WeakPolarHBondContact O-CB 3.37Å; T502-I504 VanDerWaalsContact C-N 3.26Å; T502-I504 PolarHBondContact O-N 3.48Å; I504-T508 WeakPolarHBondContact O-CB 3.39Å; I504-T508 PolarHBondContact O-N 3.42Å; I504-T508 PolarHBondContact O-OG1 3.36Å; I504-W536 HydrophobicContact CB-CE3 4.4Å; I504-W536 HydrophobicContact CB-CH2 3.77Å; I504-W536 HydrophobicContact CB-CZ3 3.69Å; I504-W536 HydrophobicContact CD1-CD2 3.81Å; I504-W536 HydrophobicContact CD1-CE3 3.28Å; I504-W536 HydrophobicContact CD1-CH2 4.14Å; I504-W536 HydrophobicContact CD1-CZ3 3.5Å; I504-W536 HydrophobicContact CG1-CD2 4.01Å; I504-W536 HydrophobicContact CG1-CE3 3.58Å; I504-W536 HydrophobicContact CG1-CH2 3.42Å; I504-W536 VanDerWaalsContact CG1-CH2 3.42Å; I504-W536 HydrophobicContact CG1-CZ2 3.83Å; I504-W536 HydrophobicContact CG1-CZ3 3.3Å; I504-W536 HydrophobicContact CG2-CE3 4.05Å; I504-W536 HydrophobicContact CG2-CH2 3.49Å; I504-W536 VanDerWaalsContact CG2-CH2 3.49Å; I504-W536 HydrophobicContact CG2-CZ3 3.11Å; I504-L545 HydrophobicContact CG2-CD2 4.37Å; I504-F553 HydrophobicContact CG2-CE2 3.65Å; I504-F553 HydrophobicContact CG2-CZ 3.64Å |
| 505 | V | 78.5 | Confident | 77.4 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 179.2 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | T501 T502 T508 N509 | T501-V505 VanDerWaalsContact O-CG2 3.32Å; T501-V505 WeakPolarHBondContact O-CG2 2.9Å; T501-V505 PolarHBondContact O-N 3.25Å; T501-V505 VanDerWaalsContact O-N 3.09Å; T502-V505 PolarHBondContact O-N 2.83Å; V505-T508 WeakPolarHBondContact O-CB 3.37Å; V505-T508 PolarHBondContact O-N 2.93Å; V505-N509 PolarHBondContact O-N 3.5Å; V505-N509 PolarHBondContact O-OD1 3.11Å |
| 506 | V | 82.5 | Confident | 77.2 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 179.3 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | L441 K442 E445 T502 S503 T508 N509 I510 | L441-V506 HydrophobicContact CB-CB 4.39Å; L441-V506 HydrophobicContact CB-CG1 3.66Å; L441-V506 WeakPolarHBondContact O-CG1 3.37Å; K442-V506 HydrophobicContact CG-CG1 4.5Å; K442-V506 HydrophobicContact CG-CG2 3.95Å; E445-V506 HydrophobicContact CB-CG1 4.04Å; E445-V506 WeakPolarHBondContact OE2-CG1 3.31Å; T502-V506 HydrophobicContact CG2-CG2 4.48Å; T502-V506 WeakPolarHBondContact O-CG2 3.21Å; T502-V506 PolarHBondContact O-N 3.17Å; S503-V506 PolarHBondContact O-N 3.49Å; V506-T508 VanDerWaalsContact C-N 3.27Å; V506-T508 PolarHBondContact O-N 3.47Å; V506-N509 WeakPolarHBondContact O-CB 3.28Å; V506-N509 PolarHBondContact O-N 2.98Å; V506-N509 VanDerWaalsContact O-N 3.07Å; V506-I510 HydrophobicContact CG1-CD1 4.11Å; V506-I510 WeakPolarHBondContact O-CG1 3.5Å; V506-I510 PolarHBondContact O-N 3Å |
| 507 | A | 79.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L485 L489 S503 N509 I510 V511 | L485-A507 HydrophobicContact CD1-CB 3.95Å; L489-A507 HydrophobicContact CD1-CB 4.05Å; L489-A507 HydrophobicContact CD2-CB 3.5Å; L489-A507 VanDerWaalsContact CD2-CB 3.5Å; L489-A507 HydrophobicContact CG-CB 4.14Å; S503-A507 VanDerWaalsContact O-CB 3.27Å; S503-A507 WeakPolarHBondContact O-CB 3.32Å; S503-A507 PolarHBondContact O-N 3.43Å; A507-N509 VanDerWaalsContact C-N 3.31Å; A507-N509 PolarHBondContact O-N 2.86Å; A507-I510 PolarHBondContact O-N 2.81Å; A507-V511 WeakPolarHBondContact O-CG2 3.42Å; A507-V511 PolarHBondContact O-N 3.19Å |
| 508 | T | 73.8 | Confident | 75.9 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 111.7 | I504 V505 V506 G512 F553 L556 | I504-T508 WeakPolarHBondContact O-CB 3.39Å; I504-T508 PolarHBondContact O-N 3.42Å; I504-T508 PolarHBondContact O-OG1 3.36Å; V505-T508 WeakPolarHBondContact O-CB 3.37Å; V505-T508 PolarHBondContact O-N 2.93Å; V506-T508 VanDerWaalsContact C-N 3.27Å; V506-T508 PolarHBondContact O-N 3.47Å; T508-G512 PolarHBondContact O-N 2.93Å; T508-F553 HydrophobicContact CG2-CD1 4.37Å; T508-F553 HydrophobicContact CG2-CE1 4Å; T508-F553 HydrophobicContact CG2-CZ 4.13Å; T508-F553 VanDerWaalsContact OG1-CE1 3.25Å; T508-F553 WeakPolarHBondContact OG1-CE1 3.32Å; T508-F553 WeakPolarHBondContact OG1-CZ 3.39Å; T508-L556 HydrophobicContact CG2-CD2 3.67Å |
| 509 | N | 80.6 | Confident | 75.3 | Confident | 58 Ų | 58 | 29.9 Ų | 29.9 | 31% | 0.31 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 175.3 | -65.9 | -15.2 | 0 | 0 | 0 | 111.5 | E445 V505 V506 A507 V511 G512 I513 | E445-N509 WeakPolarHBondContact OE1-CB 3.37Å; E445-N509 PolarHBondContact OE1-ND2 3.32Å; V505-N509 PolarHBondContact O-N 3.5Å; V505-N509 PolarHBondContact O-OD1 3.11Å; V506-N509 WeakPolarHBondContact O-CB 3.28Å; V506-N509 PolarHBondContact O-N 2.98Å; V506-N509 VanDerWaalsContact O-N 3.07Å; A507-N509 VanDerWaalsContact C-N 3.31Å; A507-N509 PolarHBondContact O-N 2.86Å; N509-V511 VanDerWaalsContact C-N 3.28Å; N509-V511 PolarHBondContact O-N 3.33Å; N509-G512 CarbonylContact O-C 3.59Å; N509-G512 WeakPolarHBondContact O-CA 3.49Å; N509-G512 PolarHBondContact O-N 2.87Å; N509-G512 VanDerWaalsContact O-N 3.08Å; N509-I513 WeakPolarHBondContact O-CD1 3.47Å; N509-I513 VanDerWaalsContact O-CG1 3.22Å; N509-I513 WeakPolarHBondContact O-CG1 3.46Å; N509-I513 PolarHBondContact O-N 3.5Å |
| 510 | I | 82.4 | Confident | 74.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -52.8 | -49.3 | 175.2 | -71.5 | 169.5 | 0 | 0 | 0 | 110.1 | L441 C444 E445 I448 L478 L485 V506 A507 I513 V514 | L441-I510 HydrophobicContact CD2-CD1 4.2Å; C444-I510 HydrophobicContact CB-CD1 4.35Å; E445-I510 HydrophobicContact CB-CD1 4.17Å; E445-I510 HydrophobicContact CB-CG1 3.78Å; E445-I510 HydrophobicContact CG-CG1 4.22Å; I448-I510 HydrophobicContact CD1-CB 4.32Å; I448-I510 HydrophobicContact CD1-CG1 4.17Å; I448-I510 HydrophobicContact CD1-CG2 3.76Å; L478-I510 HydrophobicContact CD1-CG2 4.32Å; L478-I510 HydrophobicContact CD2-CG2 4.16Å; L485-I510 HydrophobicContact CD1-CD1 4.47Å; L485-I510 HydrophobicContact CD2-CG2 4.11Å; V506-I510 HydrophobicContact CG1-CD1 4.11Å; V506-I510 WeakPolarHBondContact O-CG1 3.5Å; V506-I510 PolarHBondContact O-N 3Å; A507-I510 PolarHBondContact O-N 2.81Å; I510-I513 WeakPolarHBondContact O-CB 3.35Å; I510-I513 PolarHBondContact O-N 3.32Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å; I510-V514 PolarHBondContact O-N 2.93Å |
| 511 | V | 76.3 | Confident | 73.8 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -50.3 | 176 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | L485 A507 N509 I513 V514 F515 I531 L556 | L485-V511 HydrophobicContact CD2-CG2 3.59Å; A507-V511 WeakPolarHBondContact O-CG2 3.42Å; A507-V511 PolarHBondContact O-N 3.19Å; N509-V511 VanDerWaalsContact C-N 3.28Å; N509-V511 PolarHBondContact O-N 3.33Å; V511-I513 PolarHBondContact O-N 3.19Å; V511-V514 PolarHBondContact O-N 2.86Å; V511-V514 VanDerWaalsContact O-N 3.17Å; V511-F515 HydrophobicContact CG1-CD2 3.57Å; V511-F515 HydrophobicContact CG1-CE2 3.46Å; V511-F515 VanDerWaalsContact CG1-CE2 3.46Å; V511-F515 HydrophobicContact CG1-CZ 4.33Å; V511-F515 WeakPolarHBondContact O-CB 3.45Å; V511-F515 WeakPolarHBondContact O-CD2 3.39Å; V511-F515 PolarHBondContact O-N 3.4Å; V511-I531 HydrophobicContact CB-CD1 3.86Å; V511-I531 HydrophobicContact CG1-CD1 3.25Å; V511-I531 HydrophobicContact CG2-CD1 3.3Å; V511-I531 HydrophobicContact CG2-CG1 4.18Å; V511-L556 HydrophobicContact CG1-CD2 4.17Å |
| 512 | G | 74.2 | Confident | 72.8 | Confident | 26 Ų | 26 | 31.4 Ų | 31.4 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54.3 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T508 N509 S516 | T508-G512 PolarHBondContact O-N 2.93Å; N509-G512 CarbonylContact O-C 3.59Å; N509-G512 WeakPolarHBondContact O-CA 3.49Å; N509-G512 PolarHBondContact O-N 2.87Å; N509-G512 VanDerWaalsContact O-N 3.08Å; G512-S516 WeakPolarHBondContact O-CB 3.41Å; G512-S516 PolarHBondContact O-N 3.34Å; G512-S516 VanDerWaalsContact O-N 3.09Å |
| 513 | I | 80.6 | Confident | 71.6 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -54.3 | 176.1 | -69 | 160.6 | 0 | 0 | 0 | 110.4 | E445 T449 F452 N509 I510 V511 F515 S516 | E445-I513 HydrophobicContact CG-CD1 4.14Å; T449-I513 VanDerWaalsContact OG1-CD1 3.31Å; T449-I513 WeakPolarHBondContact OG1-CD1 3.4Å; F452-I513 HydrophobicContact CB-CG2 3.32Å; F452-I513 HydrophobicContact CD2-CG2 3.52Å; F452-I513 HydrophobicContact CE2-CG2 4.49Å; F452-I513 HydrophobicContact CG-CG2 3.56Å; N509-I513 WeakPolarHBondContact O-CD1 3.47Å; N509-I513 VanDerWaalsContact O-CG1 3.22Å; N509-I513 WeakPolarHBondContact O-CG1 3.46Å; N509-I513 PolarHBondContact O-N 3.5Å; I510-I513 WeakPolarHBondContact O-CB 3.35Å; I510-I513 PolarHBondContact O-N 3.32Å; V511-I513 PolarHBondContact O-N 3.19Å; I513-F515 VanDerWaalsContact C-N 3.3Å; I513-F515 PolarHBondContact O-N 2.75Å; I513-S516 PolarHBondContact O-N 3.43Å; I513-S516 VanDerWaalsContact O-N 3.13Å; I513-S516 PolarHBondContact O-OG 2.93Å |
| 514 | V | 76.5 | Confident | 70.5 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 179.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | F452 L478 L479 I510 V511 S516 G518 I519 | F452-V514 HydrophobicContact CE2-CG2 4.23Å; F452-V514 HydrophobicContact CZ-CG2 4.03Å; L478-V514 HydrophobicContact CD1-CG2 3.7Å; L479-V514 HydrophobicContact CD1-CG1 4.26Å; I510-V514 WeakPolarHBondContact O-CG2 3.47Å; I510-V514 PolarHBondContact O-N 2.93Å; V511-V514 PolarHBondContact O-N 2.86Å; V511-V514 VanDerWaalsContact O-N 3.17Å; V514-S516 VanDerWaalsContact C-N 3.31Å; V514-S516 PolarHBondContact O-N 3.1Å; V514-G518 WeakPolarHBondContact O-CA 3.47Å; V514-G518 PolarHBondContact O-N 3.31Å; V514-I519 HydrophobicContact CG1-CD1 3.81Å; V514-I519 HydrophobicContact CG1-CG1 3.99Å; V514-I519 HydrophobicContact CG1-CG2 3.99Å |
| 515 | F | 71.8 | Confident | 69.5 | Low | 15 Ų | 15 | 32.9 Ų | 32.9 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.1 | -25.9 | 179.7 | -85.2 | -111.4 | 0 | 0 | 0 | 113.8 | V511 I513 I519 K524 T527 I560 | V511-F515 HydrophobicContact CG1-CD2 3.57Å; V511-F515 HydrophobicContact CG1-CE2 3.46Å; V511-F515 VanDerWaalsContact CG1-CE2 3.46Å; V511-F515 HydrophobicContact CG1-CZ 4.33Å; V511-F515 WeakPolarHBondContact O-CB 3.45Å; V511-F515 WeakPolarHBondContact O-CD2 3.39Å; V511-F515 PolarHBondContact O-N 3.4Å; I513-F515 VanDerWaalsContact C-N 3.3Å; I513-F515 PolarHBondContact O-N 2.75Å; F515-I519 HydrophobicContact CD2-CD1 4.17Å; F515-I519 HydrophobicContact CE2-CD1 4.2Å; F515-K524 HydrophobicContact CD1-CB 3.7Å; F515-K524 HydrophobicContact CD1-CD 3.92Å; F515-K524 HydrophobicContact CD1-CG 3.62Å; F515-K524 VanDerWaalsContact CE1-CA 3.43Å; F515-K524 HydrophobicContact CE1-CB 3.43Å; F515-K524 VanDerWaalsContact CE1-CB 3.43Å; F515-K524 HydrophobicContact CE1-CG 3.87Å; F515-K524 WeakPolarHBondContact CE1-O 3.11Å; F515-K524 HydrophobicContact CG-CG 4.26Å; F515-K524 HydrophobicContact CZ-CB 4.26Å; F515-K524 WeakPolarHBondContact CZ-O 3.14Å; F515-K524 WeakPolarHBondContact O-CE 3.32Å; F515-K524 PolarHBondContact O-NZ 2.91Å; F515-T527 HydrophobicContact CE2-CG2 3.47Å; F515-T527 VanDerWaalsContact CE2-CG2 3.47Å; F515-T527 HydrophobicContact CZ-CG2 3.85Å; F515-I560 HydrophobicContact CD1-CG1 3.94Å; F515-I560 HydrophobicContact CE1-CB 4.43Å; F515-I560 HydrophobicContact CE1-CD1 4.11Å; F515-I560 HydrophobicContact CE1-CG1 3.63Å; F515-I560 HydrophobicContact CE1-CG2 4.16Å; F515-I560 HydrophobicContact CZ-CD1 4.24Å; F515-I560 HydrophobicContact CZ-CG1 4.26Å |
| 516 | S | 72.3 | Confident | 68.2 | Low | 68 Ų | 68 | 34.1 Ų | 34.1 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -39 | -179.1 | 71.5 | 0 | 0 | 0 | 0 | 112.2 | G512 I513 V514 | G512-S516 WeakPolarHBondContact O-CB 3.41Å; G512-S516 PolarHBondContact O-N 3.34Å; G512-S516 VanDerWaalsContact O-N 3.09Å; I513-S516 PolarHBondContact O-N 3.43Å; I513-S516 VanDerWaalsContact O-N 3.13Å; I513-S516 PolarHBondContact O-OG 2.93Å; V514-S516 VanDerWaalsContact C-N 3.31Å; V514-S516 PolarHBondContact O-N 3.1Å |
| 517 | Q | 68.4 | Low | 66.8 | Low | 94 Ų | 94 | 33.9 Ų | 33.9 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -143.5 | -6.2 | -172.6 | -58.4 | -158 | 22.5 | 0 | 0 | 116 | F452 R471 | F452-Q517 PolarHBondContact O-NE2 3.32Å; F452-Q517 PolarHBondContact O-OE1 3.24Å; R471-Q517 VanDerWaalsContact NH1-OE1 3.08Å |
| 518 | G | 59.7 | Low | 65.7 | Low | 7 Ų | 7 | 33.8 Ų | 33.8 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -22.6 | -159.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | S475 V514 | S475-G518 PolarHBondContact OG-O 2.99Å; V514-G518 WeakPolarHBondContact O-CA 3.47Å; V514-G518 PolarHBondContact O-N 3.31Å |
| 519 | I | 62 | Low | 64.8 | Low | 30 Ų | 30 | 34.3 Ų | 34.3 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -142.4 | 150.4 | -164.5 | 47 | 173.3 | 0 | 0 | 0 | 113.6 | L479 V514 F515 A523 K524 | L479-I519 HydrophobicContact CD1-CD1 4.14Å; L479-I519 HydrophobicContact CD1-CG2 4.15Å; V514-I519 HydrophobicContact CG1-CD1 3.81Å; V514-I519 HydrophobicContact CG1-CG1 3.99Å; V514-I519 HydrophobicContact CG1-CG2 3.99Å; F515-I519 HydrophobicContact CD2-CD1 4.17Å; F515-I519 HydrophobicContact CE2-CD1 4.2Å; I519-A523 HydrophobicContact CB-CB 3.73Å; I519-A523 HydrophobicContact CD1-CB 4.15Å; I519-A523 HydrophobicContact CG1-CB 4.47Å; I519-A523 HydrophobicContact CG2-CB 3.98Å; I519-K524 HydrophobicContact CD1-CB 4.22Å; I519-K524 HydrophobicContact CD1-CG 3.58Å; I519-K524 HydrophobicContact CG1-CG 3.55Å; I519-K524 WeakPolarHBondContact O-CE 3.38Å |
| 520 | S | 59.5 | Low | 63.6 | Low | 78 Ų | 78 | 32 Ų | 32 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | trans | -57.1 | 156.7 | 169.3 | 73.9 | 0 | 0 | 0 | 0 | 111 | A522 A523 K524 | S520-A522 PolarHBondContact O-N 3.41Å; S520-A522 VanDerWaalsContact O-N 3.11Å; S520-A523 PolarHBondContact O-N 3.4Å; S520-A523 VanDerWaalsContact O-N 3.12Å; S520-A523 PolarHBondContact OG-N 2.93Å; S520-K524 PolarHBondContact O-N 3.26Å; S520-K524 VanDerWaalsContact O-N 3.1Å | ||
| 521 | A | 62.3 | Low | 62.2 | Low | 64 Ų | 64 | 32.6 Ų | 32.6 | 53% | 0.529 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.2 | -32.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K524 V525 | A521-K524 WeakPolarHBondContact O-CB 3.32Å; A521-K524 PolarHBondContact O-N 2.87Å; A521-V525 WeakPolarHBondContact O-CG2 3.23Å; A521-V525 PolarHBondContact O-N 2.72Å |
| 522 | A | 54.3 | Low | 61.2 | Low | 71 Ų | 71 | 35.1 Ų | 35.1 | 59% | 0.587 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.6 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S520 K524 V525 A526 | S520-A522 PolarHBondContact O-N 3.41Å; S520-A522 VanDerWaalsContact O-N 3.11Å; A522-K524 VanDerWaalsContact C-N 3.26Å; A522-K524 PolarHBondContact O-N 2.73Å; A522-V525 WeakPolarHBondContact O-CB 2.92Å; A522-V525 PolarHBondContact O-N 2.98Å; A522-A526 PolarHBondContact O-N 2.83Å; A522-A526 VanDerWaalsContact O-N 3.09Å |
| 523 | A | 54.5 | Low | 60.2 | Low | 31 Ų | 31 | 38.1 Ų | 38.1 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -29.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I519 S520 T527 | I519-A523 HydrophobicContact CB-CB 3.73Å; I519-A523 HydrophobicContact CD1-CB 4.15Å; I519-A523 HydrophobicContact CG1-CB 4.47Å; I519-A523 HydrophobicContact CG2-CB 3.98Å; S520-A523 PolarHBondContact O-N 3.4Å; S520-A523 VanDerWaalsContact O-N 3.12Å; S520-A523 PolarHBondContact OG-N 2.93Å; A523-T527 WeakPolarHBondContact O-CB 3.37Å; A523-T527 PolarHBondContact O-N 3.48Å; A523-T527 PolarHBondContact O-OG1 3.19Å |
| 524 | K | 56.3 | Low | 58.9 | Low | 39 Ų | 39 | 38 Ų | 38 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 171.4 | -67.7 | -173.9 | -168.7 | -167.8 | 0 | 111.1 | F515 I519 S520 A521 A522 G528 | F515-K524 HydrophobicContact CD1-CB 3.7Å; F515-K524 HydrophobicContact CD1-CD 3.92Å; F515-K524 HydrophobicContact CD1-CG 3.62Å; F515-K524 VanDerWaalsContact CE1-CA 3.43Å; F515-K524 HydrophobicContact CE1-CB 3.43Å; F515-K524 VanDerWaalsContact CE1-CB 3.43Å; F515-K524 HydrophobicContact CE1-CG 3.87Å; F515-K524 WeakPolarHBondContact CE1-O 3.11Å; F515-K524 HydrophobicContact CG-CG 4.26Å; F515-K524 HydrophobicContact CZ-CB 4.26Å; F515-K524 WeakPolarHBondContact CZ-O 3.14Å; F515-K524 WeakPolarHBondContact O-CE 3.32Å; F515-K524 PolarHBondContact O-NZ 2.91Å; I519-K524 HydrophobicContact CD1-CB 4.22Å; I519-K524 HydrophobicContact CD1-CG 3.58Å; I519-K524 HydrophobicContact CG1-CG 3.55Å; I519-K524 WeakPolarHBondContact O-CE 3.38Å; S520-K524 PolarHBondContact O-N 3.26Å; S520-K524 VanDerWaalsContact O-N 3.1Å; A521-K524 WeakPolarHBondContact O-CB 3.32Å; A521-K524 PolarHBondContact O-N 2.87Å; A522-K524 VanDerWaalsContact C-N 3.26Å; A522-K524 PolarHBondContact O-N 2.73Å; K524-G528 PolarHBondContact O-N 3.45Å |
| 525 | V | 53 | Low | 57.6 | Low | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -55.1 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | A521 A522 T527 G528 V529 C564 | A521-V525 WeakPolarHBondContact O-CG2 3.23Å; A521-V525 PolarHBondContact O-N 2.72Å; A522-V525 WeakPolarHBondContact O-CB 2.92Å; A522-V525 PolarHBondContact O-N 2.98Å; V525-T527 VanDerWaalsContact C-N 3.32Å; V525-T527 PolarHBondContact O-N 2.87Å; V525-G528 PolarHBondContact O-N 3.25Å; V525-G528 VanDerWaalsContact O-N 3.13Å; V525-V529 HydrophobicContact CG1-CG2 4.37Å; V525-V529 VanDerWaalsContact O-CG2 3.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.31Å; V525-V529 PolarHBondContact O-N 3.43Å; V525-C564 HydrophobicContact CG2-CB 4.16Å; V525-C564 WeakPolarHBondContact CG2-SG 2.93Å |
| 526 | A | 52.1 | Low | 56.7 | Low | 63 Ų | 63 | 42.8 Ų | 42.8 | 52% | 0.521 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | A522 G530 | A522-A526 PolarHBondContact O-N 2.83Å; A522-A526 VanDerWaalsContact O-N 3.09Å; A526-G530 PolarHBondContact O-N 3.42Å |
| 527 | T | 52.3 | Low | 55.5 | Low | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 176.8 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | L479 F515 A523 V525 V529 G530 I531 | L479-T527 HydrophobicContact CD1-CG2 4.44Å; L479-T527 WeakPolarHBondContact CD1-OG1 3.39Å; L479-T527 HydrophobicContact CD2-CG2 3.24Å; L479-T527 WeakPolarHBondContact CD2-OG1 3.37Å; L479-T527 HydrophobicContact CG-CG2 4.4Å; F515-T527 HydrophobicContact CE2-CG2 3.47Å; F515-T527 VanDerWaalsContact CE2-CG2 3.47Å; F515-T527 HydrophobicContact CZ-CG2 3.85Å; A523-T527 WeakPolarHBondContact O-CB 3.37Å; A523-T527 PolarHBondContact O-N 3.48Å; A523-T527 PolarHBondContact O-OG1 3.19Å; V525-T527 VanDerWaalsContact C-N 3.32Å; V525-T527 PolarHBondContact O-N 2.87Å; T527-V529 VanDerWaalsContact C-N 3.31Å; T527-V529 PolarHBondContact O-N 3.26Å; T527-G530 PolarHBondContact O-N 3.01Å; T527-I531 HydrophobicContact CG2-CD1 3.74Å; T527-I531 HydrophobicContact CG2-CG1 4.34Å; T527-I531 WeakPolarHBondContact O-CD1 2.87Å; T527-I531 VanDerWaalsContact O-CG1 3.3Å; T527-I531 WeakPolarHBondContact O-CG1 3.44Å; T527-I531 PolarHBondContact O-N 2.91Å |
| 528 | G | 57.1 | Low | 54.5 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K524 V525 L532 | K524-G528 PolarHBondContact O-N 3.45Å; V525-G528 PolarHBondContact O-N 3.25Å; V525-G528 VanDerWaalsContact O-N 3.13Å; G528-L532 WeakPolarHBondContact O-CB 3.44Å; G528-L532 WeakPolarHBondContact O-CD1 3.21Å; G528-L532 WeakPolarHBondContact O-CG 3.46Å; G528-L532 PolarHBondContact O-N 3.31Å |
| 529 | V | 54.6 | Low | 53.6 | Low | 30 Ų | 30 | 46.2 Ų | 46.2 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 171.2 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | V525 T527 I531 L532 S533 C574 | V525-V529 HydrophobicContact CG1-CG2 4.37Å; V525-V529 VanDerWaalsContact O-CG2 3.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.31Å; V525-V529 PolarHBondContact O-N 3.43Å; T527-V529 VanDerWaalsContact C-N 3.31Å; T527-V529 PolarHBondContact O-N 3.26Å; V529-I531 VanDerWaalsContact C-N 3.28Å; V529-I531 PolarHBondContact O-N 3.24Å; V529-L532 CarbonylContact O-C 3.55Å; V529-L532 PolarHBondContact O-N 3.31Å; V529-L532 VanDerWaalsContact O-N 3.08Å; V529-S533 WeakPolarHBondContact O-CB 3.24Å; V529-S533 PolarHBondContact O-N 3.06Å; V529-C574 HydrophobicContact CB-CB 4.05Å; V529-C574 HydrophobicContact CG1-CB 3.52Å; V529-C574 HydrophobicContact CG2-CB 3.35Å |
| 530 | G | 54.6 | Low | 52.6 | Low | 11 Ų | 11 | 50.8 Ų | 50.8 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.8 | -41.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F486 A526 T527 S533 | F486-G530 VanDerWaalsContact CE1-C 3.41Å; F486-G530 VanDerWaalsContact CE1-CA 3.47Å; A526-G530 PolarHBondContact O-N 3.42Å; T527-G530 PolarHBondContact O-N 3.01Å; G530-S533 PolarHBondContact O-N 3.15Å; G530-S533 PolarHBondContact O-OG 3.01Å |
| 531 | I | 54.6 | Low | 51.8 | Low | 12 Ų | 12 | 50.6 Ų | 50.6 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 176.4 | -66.2 | 159.8 | 0 | 0 | 0 | 110.7 | V511 T527 V529 S533 L534 I537 | V511-I531 HydrophobicContact CB-CD1 3.86Å; V511-I531 HydrophobicContact CG1-CD1 3.25Å; V511-I531 HydrophobicContact CG2-CD1 3.3Å; V511-I531 HydrophobicContact CG2-CG1 4.18Å; T527-I531 HydrophobicContact CG2-CD1 3.74Å; T527-I531 HydrophobicContact CG2-CG1 4.34Å; T527-I531 WeakPolarHBondContact O-CD1 2.87Å; T527-I531 VanDerWaalsContact O-CG1 3.3Å; T527-I531 WeakPolarHBondContact O-CG1 3.44Å; T527-I531 PolarHBondContact O-N 2.91Å; V529-I531 VanDerWaalsContact C-N 3.28Å; V529-I531 PolarHBondContact O-N 3.24Å; I531-S533 PolarHBondContact O-N 3.06Å; I531-L534 HydrophobicContact CG2-CD1 4.32Å; I531-L534 VanDerWaalsContact O-CB 3.22Å; I531-L534 WeakPolarHBondContact O-CB 3.44Å; I531-L534 WeakPolarHBondContact O-CD1 3.47Å; I531-L534 VanDerWaalsContact O-CG 3.25Å; I531-L534 WeakPolarHBondContact O-CG 3.4Å; I531-L534 PolarHBondContact O-N 3.05Å; I531-I537 HydrophobicContact CG2-CD1 4.09Å; I531-I537 VanDerWaalsContact O-CD1 3.24Å; I531-I537 WeakPolarHBondContact O-CD1 3.35Å |
| 532 | L | 54.7 | Low | 50.9 | Low | 59 Ų | 59 | 53.1 Ų | 53.1 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -25.1 | 178.8 | -71.5 | 168.1 | 0 | 0 | 0 | 113.3 | G528 V529 L534 I537 F571 | G528-L532 WeakPolarHBondContact O-CB 3.44Å; G528-L532 WeakPolarHBondContact O-CD1 3.21Å; G528-L532 WeakPolarHBondContact O-CG 3.46Å; G528-L532 PolarHBondContact O-N 3.31Å; V529-L532 CarbonylContact O-C 3.55Å; V529-L532 PolarHBondContact O-N 3.31Å; V529-L532 VanDerWaalsContact O-N 3.08Å; L532-L534 PolarHBondContact O-N 3.11Å; L532-I537 HydrophobicContact CD2-CD1 4.17Å; L532-I537 HydrophobicContact CD2-CG2 4.27Å; L532-F571 HydrophobicContact CD1-CE1 3.54Å; L532-F571 HydrophobicContact CD1-CE2 4.21Å; L532-F571 HydrophobicContact CD1-CZ 3.16Å |
| 533 | S | 53.5 | Low | 50.2 | Low | 88 Ų | 88 | 57.6 Ų | 57.6 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.8 | 174.5 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | V529 G530 I531 | V529-S533 WeakPolarHBondContact O-CB 3.24Å; V529-S533 PolarHBondContact O-N 3.06Å; G530-S533 PolarHBondContact O-N 3.15Å; G530-S533 PolarHBondContact O-OG 3.01Å; I531-S533 PolarHBondContact O-N 3.06Å |
| 534 | L | 52.4 | Low | 49.8 | Very low | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -66 | 138.1 | -177.9 | -67.3 | 166.7 | 0 | 0 | 0 | 111.6 | L489 I531 L532 W536 I537 | L489-L534 HydrophobicContact CB-CD1 3.86Å; L489-L534 HydrophobicContact CB-CD2 3.81Å; L489-L534 HydrophobicContact CD1-CD1 3.39Å; L489-L534 HydrophobicContact CG-CD1 4.14Å; I531-L534 HydrophobicContact CG2-CD1 4.32Å; I531-L534 VanDerWaalsContact O-CB 3.22Å; I531-L534 WeakPolarHBondContact O-CB 3.44Å; I531-L534 WeakPolarHBondContact O-CD1 3.47Å; I531-L534 VanDerWaalsContact O-CG 3.25Å; I531-L534 WeakPolarHBondContact O-CG 3.4Å; I531-L534 PolarHBondContact O-N 3.05Å; L532-L534 PolarHBondContact O-N 3.11Å; L534-W536 HydrophobicContact CD1-CZ2 3.75Å; L534-W536 PolarHBondContact O-N 3.32Å; L534-I537 PolarHBondContact O-N 3.08Å |
| 535 | P | 49.5 | Very low | 49.2 | Very low | 90 Ų | 90 | 61.9 Ų | 61.9 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -56.4 | -27 | -168.8 | -25.9 | 32.1 | 0 | 0 | 0 | 115.6 | S538 | P535-S538 VanDerWaalsContact O-CB 3.23Å; P535-S538 WeakPolarHBondContact O-CB 3.4Å; P535-S538 PolarHBondContact O-N 2.88Å; P535-S538 PolarHBondContact O-OG 2.91Å |
| 536 | W | 52.7 | Low | 48.9 | Very low | 28 Ų | 28 | 66.5 Ų | 66.5 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -87.6 | -10.4 | -174.1 | 49.1 | -77.5 | 0 | 0 | 0 | 113.8 | L489 I504 L534 S538 F553 | L489-W536 HydrophobicContact CD2-CZ2 3.81Å; I504-W536 HydrophobicContact CB-CE3 4.4Å; I504-W536 HydrophobicContact CB-CH2 3.77Å; I504-W536 HydrophobicContact CB-CZ3 3.69Å; I504-W536 HydrophobicContact CD1-CD2 3.81Å; I504-W536 HydrophobicContact CD1-CE3 3.28Å; I504-W536 HydrophobicContact CD1-CH2 4.14Å; I504-W536 HydrophobicContact CD1-CZ3 3.5Å; I504-W536 HydrophobicContact CG1-CD2 4.01Å; I504-W536 HydrophobicContact CG1-CE3 3.58Å; I504-W536 HydrophobicContact CG1-CH2 3.42Å; I504-W536 VanDerWaalsContact CG1-CH2 3.42Å; I504-W536 HydrophobicContact CG1-CZ2 3.83Å; I504-W536 HydrophobicContact CG1-CZ3 3.3Å; I504-W536 HydrophobicContact CG2-CE3 4.05Å; I504-W536 HydrophobicContact CG2-CH2 3.49Å; I504-W536 VanDerWaalsContact CG2-CH2 3.49Å; I504-W536 HydrophobicContact CG2-CZ3 3.11Å; L534-W536 HydrophobicContact CD1-CZ2 3.75Å; L534-W536 PolarHBondContact O-N 3.32Å; W536-S538 PolarHBondContact O-N 3.27Å; W536-F553 HydrophobicContact CH2-CE1 4.28Å; W536-F553 AromaticContact CH2-CZ 3.8Å; W536-F553 HydrophobicContact CH2-CZ 3.8Å; W536-F553 HydrophobicContact CZ3-CE1 4.28Å; W536-F553 HydrophobicContact CZ3-CE2 4.27Å; W536-F553 AromaticContact CZ3-CZ 3.64Å; W536-F553 HydrophobicContact CZ3-CZ 3.64Å |
| 537 | I | 48 | Very low | 48.5 | Very low | 38 Ų | 38 | 70.7 Ų | 70.7 | 20% | 0.195 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -75.4 | -12 | 166.4 | -68.4 | -176.3 | 0 | 0 | 0 | 111.1 | I531 L532 L534 L539 | I531-I537 HydrophobicContact CG2-CD1 4.09Å; I531-I537 VanDerWaalsContact O-CD1 3.24Å; I531-I537 WeakPolarHBondContact O-CD1 3.35Å; L532-I537 HydrophobicContact CD2-CD1 4.17Å; L532-I537 HydrophobicContact CD2-CG2 4.27Å; L534-I537 PolarHBondContact O-N 3.08Å; I537-L539 PolarHBondContact O-N 3.11Å |
| 538 | S | 47.3 | Very low | 48.3 | Very low | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -54 | 133.3 | 166.9 | 75.7 | 0 | 0 | 0 | 0 | 109.9 | P535 W536 N540 N541 | P535-S538 VanDerWaalsContact O-CB 3.23Å; P535-S538 WeakPolarHBondContact O-CB 3.4Å; P535-S538 PolarHBondContact O-N 2.88Å; P535-S538 PolarHBondContact O-OG 2.91Å; W536-S538 PolarHBondContact O-N 3.27Å; S538-N540 PolarHBondContact O-N 3.27Å; S538-N541 PolarHBondContact O-N 3.24Å |
| 539 | L | 40.6 | Very low | 47.8 | Very low | 137 Ų | 137 | 75.9 Ų | 75.9 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -49 | -17.6 | -164.9 | -81 | 125.5 | 0 | 0 | 0 | 116.4 | I537 | I537-L539 PolarHBondContact O-N 3.11Š|
| 540 | N | 41.4 | Very low | 47.5 | Very low | 126 Ų | 126 | 75.6 Ų | 75.6 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -78.1 | -26.8 | -173.4 | -68.3 | -15.7 | 0 | 0 | 0 | 114.2 | S538 | S538-N540 PolarHBondContact O-N 3.27Š|
| 541 | N | 42.8 | Very low | 47.3 | Very low | 75 Ų | 75 | 78.3 Ų | 78.3 | 40% | 0.401 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -89.9 | -0.3 | 179.9 | -77.5 | 5.1 | 0 | 0 | 0 | 114.1 | S538 M543 | S538-N541 PolarHBondContact O-N 3.24Å; N541-M543 PolarHBondContact O-N 3.13Å |
| 542 | R | 42.6 | Very low | 47.1 | Very low | 117 Ų | 117 | 85 Ų | 85 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -67 | -16.6 | 172.8 | -74.9 | -172.5 | 178.1 | -167.8 | -1 | 113.4 | V550 | R542-V550 HydrophobicContact CB-CG2 4.39Å; R542-V550 HydrophobicContact CG-CG2 4.43Å |
| 543 | M | 40.1 | Very low | 46.9 | Very low | 165 Ų | 165 | 83.6 Ų | 83.6 | 81% | 0.813 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -74.3 | -26.6 | -178.5 | -70.6 | -160.4 | -76.9 | 0 | 0 | 113.4 | N541 | N541-M543 PolarHBondContact O-N 3.13Š|
| 544 | D | 44.7 | Very low | 46.8 | Very low | 140 Ų | 140 | 82 Ų | 82 | 75% | 0.749 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -15 | -179.7 | -68.9 | -31.3 | 0 | 0 | 0 | 113.7 | N546 | D544-N546 PolarHBondContact O-N 2.91Š|
| 545 | L | 45.2 | Very low | 47 | Very low | 20 Ų | 20 | 85.3 Ų | 85.3 | 11% | 0.105 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -79.6 | 117 | 172.7 | -71.5 | 166.9 | 0 | 0 | 0 | 109 | T501 I504 L547 N549 V550 | T501-L545 HydrophobicContact CG2-CD2 4.06Å; I504-L545 HydrophobicContact CG2-CD2 4.37Å; L545-L547 PolarHBondContact O-N 3.27Å; L545-N549 HydrophobicContact CB-CB 4.37Å; L545-N549 HydrophobicContact CD2-CB 4.43Å; L545-V550 HydrophobicContact CB-CG2 3.92Å |
| 546 | N | 45.2 | Very low | 47.2 | Very low | 122 Ų | 122 | 82.4 Ų | 82.4 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | trans | -38.8 | 130.8 | 169.6 | -126.4 | -17.5 | 0 | 0 | 0 | 109.8 | D544 T548 N549 V550 | D544-N546 PolarHBondContact O-N 2.91Å; N546-T548 PolarHBondContact O-N 3.41Å; N546-N549 WeakPolarHBondContact O-CA 3.26Å; N546-N549 WeakPolarHBondContact O-CB 3.3Å; N546-N549 PolarHBondContact O-N 3.43Å; N546-V550 PolarHBondContact O-N 3.31Å | ||
| 547 | L | 45.3 | Very low | 47.2 | Very low | 150 Ų | 150 | 82 Ų | 82 | 79% | 0.785 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -49.5 | -29.4 | -172.7 | -81.1 | 156 | 0 | 0 | 0 | 113.8 | L545 V550 S551 | L545-L547 PolarHBondContact O-N 3.27Å; L547-V550 PolarHBondContact O-N 3.46Å; L547-S551 PolarHBondContact O-N 3.32Å; L547-S551 PolarHBondContact O-OG 3.48Å |
| 548 | T | 48 | Very low | 47.4 | Very low | 86 Ų | 86 | 84 Ų | 84 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.7 | -35 | 173.1 | 1.9 | 0 | 0 | 0 | 0 | 113.9 | N546 S551 R552 | N546-T548 PolarHBondContact O-N 3.41Å; T548-S551 PolarHBondContact O-OG 3.15Å; T548-R552 WeakPolarHBondContact O-CG 2.99Å; T548-R552 PolarHBondContact O-N 2.91Å; T548-R552 VanDerWaalsContact O-N 3.1Å |
| 549 | N | 46.6 | Very low | 47.7 | Very low | 27 Ų | 27 | 84 Ų | 84 | 14% | 0.144 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.9 | -42.1 | 175.4 | -70.6 | -16.6 | 0 | 0 | 0 | 110.6 | L545 N546 S551 R552 F553 | L545-N549 HydrophobicContact CB-CB 4.37Å; L545-N549 HydrophobicContact CD2-CB 4.43Å; N546-N549 WeakPolarHBondContact O-CA 3.26Å; N546-N549 WeakPolarHBondContact O-CB 3.3Å; N546-N549 PolarHBondContact O-N 3.43Å; N549-S551 VanDerWaalsContact C-N 3.31Å; N549-S551 PolarHBondContact O-N 2.7Å; N549-R552 PolarHBondContact O-N 3.07Å; N549-F553 VanDerWaalsContact O-CD2 3.28Å; N549-F553 WeakPolarHBondContact O-CD2 3.21Å; N549-F553 PolarHBondContact O-N 3.46Å |
| 550 | V | 47.6 | Very low | 48 | Very low | 24 Ų | 24 | 77.7 Ų | 77.7 | 15% | 0.145 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | R542 L545 N546 L547 F553 T554 | R542-V550 HydrophobicContact CB-CG2 4.39Å; R542-V550 HydrophobicContact CG-CG2 4.43Å; L545-V550 HydrophobicContact CB-CG2 3.92Å; N546-V550 PolarHBondContact O-N 3.31Å; L547-V550 PolarHBondContact O-N 3.46Å; V550-F553 PolarHBondContact O-N 2.76Å; V550-T554 WeakPolarHBondContact O-CB 3.23Å; V550-T554 PolarHBondContact O-N 2.98Å; V550-T554 PolarHBondContact O-OG1 2.88Å |
| 551 | S | 50.7 | Low | 48.4 | Very low | 68 Ų | 68 | 75.1 Ų | 75.1 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 175.5 | 70.4 | 0 | 0 | 0 | 0 | 112.4 | L547 T548 N549 T554 S555 | L547-S551 PolarHBondContact O-N 3.32Å; L547-S551 PolarHBondContact O-OG 3.48Å; T548-S551 PolarHBondContact O-OG 3.15Å; N549-S551 VanDerWaalsContact C-N 3.31Å; N549-S551 PolarHBondContact O-N 2.7Å; S551-T554 PolarHBondContact O-N 3.29Å; S551-S555 WeakPolarHBondContact O-CB 3.24Å; S551-S555 PolarHBondContact O-N 3.18Å |
| 552 | R | 51 | Low | 48.9 | Very low | 152 Ų | 152 | 79.8 Ų | 79.8 | 57% | 0.574 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 170.2 | -80.7 | -179.3 | 178.6 | -179.2 | 0.6 | 112.2 | T548 N549 S555 L556 | T548-R552 WeakPolarHBondContact O-CG 2.99Å; T548-R552 PolarHBondContact O-N 2.91Å; T548-R552 VanDerWaalsContact O-N 3.1Å; N549-R552 PolarHBondContact O-N 3.07Å; R552-S555 CarbonylContact O-C 3.42Å; R552-S555 WeakPolarHBondContact O-CB 3.06Å; R552-S555 PolarHBondContact O-N 3.14Å; R552-L556 WeakPolarHBondContact O-CB 3.22Å; R552-L556 PolarHBondContact O-N 2.82Å |
| 553 | F | 49.1 | Very low | 49.2 | Very low | 30 Ų | 30 | 76.8 Ų | 76.8 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 175.2 | -93.1 | -71.6 | 0 | 0 | 0 | 112.3 | I504 T508 W536 N549 V550 S555 L556 A557 | I504-F553 HydrophobicContact CG2-CE2 3.65Å; I504-F553 HydrophobicContact CG2-CZ 3.64Å; T508-F553 HydrophobicContact CG2-CD1 4.37Å; T508-F553 HydrophobicContact CG2-CE1 4Å; T508-F553 HydrophobicContact CG2-CZ 4.13Å; T508-F553 VanDerWaalsContact OG1-CE1 3.25Å; T508-F553 WeakPolarHBondContact OG1-CE1 3.32Å; T508-F553 WeakPolarHBondContact OG1-CZ 3.39Å; W536-F553 HydrophobicContact CH2-CE1 4.28Å; W536-F553 AromaticContact CH2-CZ 3.8Å; W536-F553 HydrophobicContact CH2-CZ 3.8Å; W536-F553 HydrophobicContact CZ3-CE1 4.28Å; W536-F553 HydrophobicContact CZ3-CE2 4.27Å; W536-F553 AromaticContact CZ3-CZ 3.64Å; W536-F553 HydrophobicContact CZ3-CZ 3.64Å; N549-F553 VanDerWaalsContact O-CD2 3.28Å; N549-F553 WeakPolarHBondContact O-CD2 3.21Å; N549-F553 PolarHBondContact O-N 3.46Å; V550-F553 PolarHBondContact O-N 2.76Å; F553-S555 VanDerWaalsContact C-N 3.31Å; F553-S555 PolarHBondContact O-N 3.28Å; F553-L556 PolarHBondContact O-N 2.77Å; F553-A557 VanDerWaalsContact O-CB 3.3Å; F553-A557 WeakPolarHBondContact O-CB 2.79Å; F553-A557 PolarHBondContact O-N 3.26Å |
| 554 | T | 52.3 | Low | 49.4 | Very low | 54 Ų | 54 | 70.3 Ų | 70.3 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 110.5 | V550 S551 N558 | V550-T554 WeakPolarHBondContact O-CB 3.23Å; V550-T554 PolarHBondContact O-N 2.98Å; V550-T554 PolarHBondContact O-OG1 2.88Å; S551-T554 PolarHBondContact O-N 3.29Å; T554-N558 WeakPolarHBondContact O-CB 3.38Å; T554-N558 PolarHBondContact O-N 3.29Å; T554-N558 PolarHBondContact O-ND2 3.28Å; T554-N558 VanDerWaalsContact O-ND2 3.16Å |
| 555 | S | 56.3 | Low | 49.2 | Very low | 76 Ų | 76 | 65.5 Ų | 65.5 | 53% | 0.531 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 111.9 | S551 R552 F553 N558 S559 | S551-S555 WeakPolarHBondContact O-CB 3.24Å; S551-S555 PolarHBondContact O-N 3.18Å; R552-S555 CarbonylContact O-C 3.42Å; R552-S555 WeakPolarHBondContact O-CB 3.06Å; R552-S555 PolarHBondContact O-N 3.14Å; F553-S555 VanDerWaalsContact C-N 3.31Å; F553-S555 PolarHBondContact O-N 3.28Å; S555-N558 CarbonylContact O-C 3.59Å; S555-N558 PolarHBondContact O-N 3.36Å; S555-S559 WeakPolarHBondContact O-CB 3.44Å; S555-S559 PolarHBondContact O-N 2.99Å |
| 556 | L | 53.7 | Low | 49 | Very low | 29 Ų | 29 | 74.6 Ų | 74.6 | 15% | 0.152 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.1 | -50 | 174.8 | -175.6 | 71.4 | 0 | 0 | 0 | 110.3 | T508 V511 R552 F553 N558 S559 I560 | T508-L556 HydrophobicContact CG2-CD2 3.67Å; V511-L556 HydrophobicContact CG1-CD2 4.17Å; R552-L556 WeakPolarHBondContact O-CB 3.22Å; R552-L556 PolarHBondContact O-N 2.82Å; F553-L556 PolarHBondContact O-N 2.77Å; L556-N558 VanDerWaalsContact C-N 3.31Å; L556-N558 PolarHBondContact O-N 2.75Å; L556-S559 CarbonylContact O-C 3.58Å; L556-S559 WeakPolarHBondContact O-CA 3.28Å; L556-S559 WeakPolarHBondContact O-CB 3.44Å; L556-S559 PolarHBondContact O-N 2.77Å; L556-I560 HydrophobicContact CD2-CD1 4.48Å; L556-I560 HydrophobicContact CG-CD1 3.98Å; L556-I560 HydrophobicContact CG-CG1 4.42Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.42Å; L556-I560 PolarHBondContact O-N 3.13Å |
| 557 | A | 52.1 | Low | 48.7 | Very low | 20 Ų | 20 | 73.8 Ų | 73.8 | 17% | 0.165 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.3 | -45 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F553 S559 I560 I561 | F553-A557 VanDerWaalsContact O-CB 3.3Å; F553-A557 WeakPolarHBondContact O-CB 2.79Å; F553-A557 PolarHBondContact O-N 3.26Å; A557-S559 VanDerWaalsContact C-N 3.34Å; A557-S559 PolarHBondContact O-N 2.98Å; A557-I560 WeakPolarHBondContact O-CB 3.27Å; A557-I560 PolarHBondContact O-N 3.37Å; A557-I561 WeakPolarHBondContact O-CB 3.47Å; A557-I561 WeakPolarHBondContact O-CD1 3.46Å; A557-I561 WeakPolarHBondContact O-CG1 3.24Å; A557-I561 PolarHBondContact O-N 2.91Å |
| 558 | N | 52.6 | Low | 48.2 | Very low | 80 Ų | 80 | 74 Ų | 74 | 43% | 0.428 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -34.8 | 174.7 | -74.8 | -25 | 0 | 0 | 0 | 112.8 | T554 S555 L556 K562 | T554-N558 WeakPolarHBondContact O-CB 3.38Å; T554-N558 PolarHBondContact O-N 3.29Å; T554-N558 PolarHBondContact O-ND2 3.28Å; T554-N558 VanDerWaalsContact O-ND2 3.16Å; S555-N558 CarbonylContact O-C 3.59Å; S555-N558 PolarHBondContact O-N 3.36Å; L556-N558 VanDerWaalsContact C-N 3.31Å; L556-N558 PolarHBondContact O-N 2.75Å; N558-K562 VanDerWaalsContact O-CB 3.29Å; N558-K562 WeakPolarHBondContact O-CB 3.44Å; N558-K562 VanDerWaalsContact O-CG 3.27Å; N558-K562 WeakPolarHBondContact O-CG 3.16Å; N558-K562 PolarHBondContact O-N 3.49Å |
| 559 | S | 53.2 | Low | 47.9 | Very low | 66 Ų | 66 | 74.1 Ų | 74.1 | 46% | 0.462 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 176 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | S555 L556 A557 K562 S563 | S555-S559 WeakPolarHBondContact O-CB 3.44Å; S555-S559 PolarHBondContact O-N 2.99Å; L556-S559 CarbonylContact O-C 3.58Å; L556-S559 WeakPolarHBondContact O-CA 3.28Å; L556-S559 WeakPolarHBondContact O-CB 3.44Å; L556-S559 PolarHBondContact O-N 2.77Å; A557-S559 VanDerWaalsContact C-N 3.34Å; A557-S559 PolarHBondContact O-N 2.98Å; S559-K562 PolarHBondContact O-N 3.34Å; S559-S563 WeakPolarHBondContact O-CB 2.98Å; S559-S563 PolarHBondContact O-N 2.89Å; S559-S563 PolarHBondContact O-OG 3.41Å |
| 560 | I | 48.1 | Very low | 47.6 | Very low | 5 Ų | 5 | 75.6 Ų | 75.6 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57 | -57 | 170.1 | -66.7 | 168.1 | 0 | 0 | 0 | 108.1 | F515 L556 A557 K562 S563 C564 F571 | F515-I560 HydrophobicContact CD1-CG1 3.94Å; F515-I560 HydrophobicContact CE1-CB 4.43Å; F515-I560 HydrophobicContact CE1-CD1 4.11Å; F515-I560 HydrophobicContact CE1-CG1 3.63Å; F515-I560 HydrophobicContact CE1-CG2 4.16Å; F515-I560 HydrophobicContact CZ-CD1 4.24Å; F515-I560 HydrophobicContact CZ-CG1 4.26Å; L556-I560 HydrophobicContact CD2-CD1 4.48Å; L556-I560 HydrophobicContact CG-CD1 3.98Å; L556-I560 HydrophobicContact CG-CG1 4.42Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.42Å; L556-I560 PolarHBondContact O-N 3.13Å; A557-I560 WeakPolarHBondContact O-CB 3.27Å; A557-I560 PolarHBondContact O-N 3.37Å; I560-K562 VanDerWaalsContact C-N 3.31Å; I560-K562 PolarHBondContact O-N 3.08Å; I560-S563 CarbonylContact O-C 3.53Å; I560-S563 PolarHBondContact O-N 3.1Å; I560-S563 VanDerWaalsContact O-N 3.1Å; I560-S563 PolarHBondContact O-OG 3.15Å; I560-C564 WeakPolarHBondContact O-CB 3.35Å; I560-C564 PolarHBondContact O-N 2.89Å; I560-C564 PolarHBondContact O-SG 2.71Å; I560-F571 HydrophobicContact CG2-CE2 4.11Å |
| 561 | I | 50.3 | Low | 46.9 | Very low | 71 Ų | 71 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.4 | -44.2 | 177.9 | -67.5 | 163 | 0 | 0 | 0 | 111.9 | A557 C564 F571 | A557-I561 WeakPolarHBondContact O-CB 3.47Å; A557-I561 WeakPolarHBondContact O-CD1 3.46Å; A557-I561 WeakPolarHBondContact O-CG1 3.24Å; A557-I561 PolarHBondContact O-N 2.91Å; I561-C564 WeakPolarHBondContact O-CB 3.09Å; I561-C564 PolarHBondContact O-N 3.29Å; I561-F571 HydrophobicContact CD1-CE1 4.35Å; I561-F571 HydrophobicContact CD1-CZ 4.14Å; I561-F571 HydrophobicContact CG1-CD2 4.11Å; I561-F571 HydrophobicContact CG1-CE1 4.25Å; I561-F571 HydrophobicContact CG1-CE2 3.68Å; I561-F571 HydrophobicContact CG1-CZ 3.7Å |
| 562 | K | 52.4 | Low | 46 | Very low | 173 Ų | 173 | 82.5 Ų | 82.5 | 75% | 0.752 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 177.7 | -80.2 | -179.8 | -179.1 | -178.6 | 0 | 112.9 | N558 S559 I560 C564 G565 | N558-K562 VanDerWaalsContact O-CB 3.29Å; N558-K562 WeakPolarHBondContact O-CB 3.44Å; N558-K562 VanDerWaalsContact O-CG 3.27Å; N558-K562 WeakPolarHBondContact O-CG 3.16Å; N558-K562 PolarHBondContact O-N 3.49Å; S559-K562 PolarHBondContact O-N 3.34Å; I560-K562 VanDerWaalsContact C-N 3.31Å; I560-K562 PolarHBondContact O-N 3.08Å; K562-C564 VanDerWaalsContact C-N 3.32Å; K562-G565 PolarHBondContact O-N 2.61Å |
| 563 | S | 48.4 | Very low | 45.2 | Very low | 55 Ų | 55 | 79.6 Ų | 79.6 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -76.3 | -19.8 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | S559 I560 G565 | S559-S563 WeakPolarHBondContact O-CB 2.98Å; S559-S563 PolarHBondContact O-N 2.89Å; S559-S563 PolarHBondContact O-OG 3.41Å; I560-S563 CarbonylContact O-C 3.53Å; I560-S563 PolarHBondContact O-N 3.1Å; I560-S563 VanDerWaalsContact O-N 3.1Å; I560-S563 PolarHBondContact O-OG 3.15Å; S563-G565 PolarHBondContact O-N 3.03Å |
| 564 | C | 45.1 | Very low | 44.3 | Very low | 29 Ų | 29 | 83.3 Ų | 83.3 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -8.3 | 165.8 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | V525 I560 I561 K562 | V525-C564 HydrophobicContact CG2-CB 4.16Å; V525-C564 WeakPolarHBondContact CG2-SG 2.93Å; I560-C564 WeakPolarHBondContact O-CB 3.35Å; I560-C564 PolarHBondContact O-N 2.89Å; I560-C564 PolarHBondContact O-SG 2.71Å; I561-C564 WeakPolarHBondContact O-CB 3.09Å; I561-C564 PolarHBondContact O-N 3.29Å; K562-C564 VanDerWaalsContact C-N 3.32Å |
| 565 | G | 39.3 | Very low | 43.9 | Very low | 39 Ų | 39 | 84.8 Ų | 84.8 | 40% | 0.402 | 47% | 0.472 | S | S | . | . | trans | 70.8 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K562 S563 N567 | K562-G565 PolarHBondContact O-N 2.61Å; S563-G565 PolarHBondContact O-N 3.03Å; G565-N567 PolarHBondContact O-N 3.13Å | ||
| 566 | K | 41.6 | Very low | 43.2 | Very low | 211 Ų | 211 | 85.2 Ų | 85.2 | 92% | 0.917 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -65.9 | 34.1 | -176.3 | -70.4 | -178.4 | 171.6 | -180 | 0 | 115.2 | ||
| 567 | N | 39.5 | Very low | 42.6 | Very low | 105 Ų | 105 | 88.3 Ų | 88.3 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | trans | -108.8 | 75.2 | 171.9 | -74.3 | -9.5 | 0 | 0 | 0 | 109.4 | G565 S569 T570 | G565-N567 PolarHBondContact O-N 3.13Å; N567-S569 PolarHBondContact O-N 3.36Å; N567-T570 PolarHBondContact O-N 3.45Å; N567-T570 PolarHBondContact O-OG1 3.46Å | ||
| 568 | E | 35.3 | Very low | 42.1 | Very low | 154 Ų | 154 | 92.4 Ų | 92.4 | 72% | 0.72 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -53.6 | -23.8 | 171.9 | -71 | 177 | 161.2 | 0 | 0 | 112.3 | T570 F571 F572 | E568-T570 VanDerWaalsContact C-N 3.32Å; E568-T570 PolarHBondContact O-N 3.35Å; E568-F571 PolarHBondContact O-N 3.2Å; E568-F572 WeakPolarHBondContact O-CD2 3.1Å |
| 569 | S | 40.3 | Very low | 41.4 | Very low | 89 Ų | 89 | 93.1 Ų | 93.1 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.7 | -27.4 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | N567 S573 | N567-S569 PolarHBondContact O-N 3.36Å; S569-S573 PolarHBondContact O-OG 3.29Å |
| 570 | T | 41.2 | Very low | 40.6 | Very low | 58 Ų | 58 | 94.9 Ų | 94.9 | 36% | 0.356 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -80 | -22 | -178.4 | -14 | 0 | 0 | 0 | 0 | 112.3 | N567 E568 S573 C574 | N567-T570 PolarHBondContact O-N 3.45Å; N567-T570 PolarHBondContact O-OG1 3.46Å; E568-T570 VanDerWaalsContact C-N 3.32Å; E568-T570 PolarHBondContact O-N 3.35Å; T570-S573 PolarHBondContact O-OG 2.73Å; T570-C574 PolarHBondContact O-SG 3.45Å |
| 571 | F | 32.3 | Very low | 40.1 | Very low | 53 Ų | 53 | 101.4 Ų | 101.4 | 23% | 0.232 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -86 | -26 | -179.4 | -145.3 | -90.8 | 0 | 0 | 0 | 113.5 | L532 I560 I561 E568 | L532-F571 HydrophobicContact CD1-CE1 3.54Å; L532-F571 HydrophobicContact CD1-CE2 4.21Å; L532-F571 HydrophobicContact CD1-CZ 3.16Å; I560-F571 HydrophobicContact CG2-CE2 4.11Å; I561-F571 HydrophobicContact CD1-CE1 4.35Å; I561-F571 HydrophobicContact CD1-CZ 4.14Å; I561-F571 HydrophobicContact CG1-CD2 4.11Å; I561-F571 HydrophobicContact CG1-CE1 4.25Å; I561-F571 HydrophobicContact CG1-CE2 3.68Å; I561-F571 HydrophobicContact CG1-CZ 3.7Å; E568-F571 PolarHBondContact O-N 3.2Å |
| 572 | F | 32.9 | Very low | 39.3 | Very low | 184 Ų | 184 | 103.7 Ų | 103.7 | 81% | 0.807 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -89.7 | -9.6 | 176.2 | -76.6 | -75 | 0 | 0 | 0 | 113.7 | E568 | E568-F572 WeakPolarHBondContact O-CD2 3.1Š|
| 573 | S | 34.2 | Very low | 38.2 | Very low | 91 Ų | 91 | 97.9 Ų | 97.9 | 64% | 0.636 | 55% | 0.547 | S | S | * | . | trans | -97.8 | -11.4 | 178.6 | 47 | 0 | 0 | 0 | 0 | 113.8 | S569 T570 | S569-S573 PolarHBondContact O-OG 3.29Å; T570-S573 PolarHBondContact O-OG 2.73Å | ||
| 574 | C | 28.5 | Very low | 37.3 | Very low | 107 Ų | 107 | 101.8 Ų | 101.8 | 72% | 0.723 | 56% | 0.561 | S | S | * | * | trans | -104.1 | 0 | 168.5 | -60.5 | 0 | 0 | 0 | 0 | 108.4 | V529 T570 | V529-C574 HydrophobicContact CB-CB 4.05Å; V529-C574 HydrophobicContact CG1-CB 3.52Å; V529-C574 HydrophobicContact CG2-CB 3.35Å; T570-C574 PolarHBondContact O-SG 3.45Å |
Retrieved 574 of 574 residues in 482.9 ms
(Link to these results)