| 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 | 56.9 | Low | 86.3 | Confident | 196 Ų | 196 | 71.4 Ų | 71.4 | 97% | 0.966 | 42% | 0.424 | S | S | * | . | 0 | 127.3 | 0 | -75.1 | -172 | -101.4 | 0 | 0 | 107.6 | L105 | M1-L105 WeakPolarHBondContact CE-O 3.42Š| |||
| 2 | A | 71.5 | Confident | 87 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 83% | 0.826 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 136.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 3 | W | 80.9 | Confident | 87.6 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 16% | 0.163 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 147.2 | 172.7 | -61.5 | -13 | 0 | 0 | 0 | 110.2 | D7 A8 F11 A20 L23 Y106 | W3-D7 HydrophobicContact CB-CB 4.3Å; W3-A8 HydrophobicContact CB-CB 4.49Å; W3-A8 HydrophobicContact CE3-CB 4.14Å; W3-F11 AromaticContact CD2-CD2 3.9Å; W3-F11 HydrophobicContact CD2-CD2 3.9Å; W3-F11 HydrophobicContact CD2-CE2 4.06Å; W3-F11 AromaticContact CE2-CE2 3.99Å; W3-F11 AromaticContact CE3-CD2 3.71Å; W3-F11 HydrophobicContact CE3-CD2 3.71Å; W3-F11 HydrophobicContact CE3-CE2 4.34Å; W3-F11 HydrophobicContact CG-CE2 4.48Å; W3-F11 HydrophobicContact CH2-CB 4.38Å; W3-F11 AromaticContact CH2-CD2 3.62Å; W3-F11 HydrophobicContact CH2-CD2 3.62Å; W3-F11 HydrophobicContact CH2-CE2 4.31Å; W3-F11 HydrophobicContact CH2-CG 4.35Å; W3-F11 AromaticContact CZ2-CD2 3.9Å; W3-F11 HydrophobicContact CZ2-CD2 3.9Å; W3-F11 HydrophobicContact CZ2-CE2 4.12Å; W3-F11 HydrophobicContact CZ3-CB 4.15Å; W3-F11 AromaticContact CZ3-CD2 3.58Å; W3-F11 HydrophobicContact CZ3-CD2 3.58Å; W3-F11 HydrophobicContact CZ3-CE2 4.47Å; W3-F11 HydrophobicContact CZ3-CG 4.33Å; W3-A20 HydrophobicContact CH2-CB 4.36Å; W3-A20 WeakPolarHBondContact CH2-O 3.41Å; W3-A20 HydrophobicContact CZ3-CB 4.08Å; W3-A20 VanDerWaalsContact CZ3-O 3.22Å; W3-A20 WeakPolarHBondContact CZ3-O 3.46Å; W3-L23 HydrophobicContact CH2-CB 3.72Å; W3-L23 HydrophobicContact CZ2-CB 3.66Å; W3-Y106 HydrophobicContact CZ2-CE2 4.42Å; W3-Y106 WeakPolarHBondContact CZ2-OH 3.21Å; W3-Y106 AromaticContact NE1-CZ 3.94Å; W3-Y106 PolarHBondContact NE1-OH 3.04Å; W3-Y106 VanDerWaalsContact NE1-OH 3.09Å |
| 4 | S | 88.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 35% | 0.35 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 153 | 165.4 | 70.5 | 0 | 0 | 0 | 0 | 109.7 | T6 D7 A8 | S4-T6 PolarHBondContact O-N 2.93Å; S4-D7 PolarHBondContact O-N 3.2Å; S4-D7 WeakPolarHBondContact OG-CB 3.19Å; S4-D7 PolarHBondContact OG-N 3.13Å; S4-D7 PolarHBondContact OG-OD2 3.04Å; S4-A8 PolarHBondContact O-N 3.04Å |
| 5 | E | 89.1 | Confident | 88.6 | Confident | 176 Ų | 176 | 61.9 Ų | 61.9 | 82% | 0.822 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -56.4 | -34.9 | 175.4 | -172.3 | 174.8 | -170.1 | 0 | 0 | 111.4 | A9 | E5-A9 WeakPolarHBondContact O-CB 3.22Å; E5-A9 PolarHBondContact O-N 3.13Å |
| 6 | T | 91.7 | Very high | 89.1 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 53% | 0.534 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 174.1 | -49.5 | 0 | 0 | 0 | 0 | 112.7 | S4 L10 | S4-T6 PolarHBondContact O-N 2.93Å; T6-L10 WeakPolarHBondContact O-CB 3.21Å; T6-L10 PolarHBondContact O-N 2.91Å |
| 7 | D | 91.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 177.3 | -67.8 | -40.8 | 0 | 0 | 0 | 111.2 | W3 S4 A9 L10 F11 R101 | W3-D7 HydrophobicContact CB-CB 4.3Å; S4-D7 PolarHBondContact O-N 3.2Å; S4-D7 WeakPolarHBondContact OG-CB 3.19Å; S4-D7 PolarHBondContact OG-N 3.13Å; S4-D7 PolarHBondContact OG-OD2 3.04Å; D7-A9 VanDerWaalsContact C-N 3.35Å; D7-A9 PolarHBondContact O-N 3.42Å; D7-L10 PolarHBondContact O-N 2.84Å; D7-F11 HydrophobicContact CB-CD2 4.4Å; D7-F11 HydrophobicContact CB-CE2 3.97Å; D7-F11 HydrophobicContact CB-CZ 4.44Å; D7-F11 WeakPolarHBondContact O-CB 3.39Å; D7-F11 WeakPolarHBondContact O-CD2 3.46Å; D7-F11 VanDerWaalsContact O-CG 3.24Å; D7-F11 WeakPolarHBondContact O-CG 3.14Å; D7-F11 PolarHBondContact O-N 2.98Å; D7-R101 IonicContact OD1-CZ 3.42Å; D7-R101 IonicContact OD1-NE 3.08Å; D7-R101 PolarHBondContact OD1-NE 2.99Å; D7-R101 IonicContact OD1-NH2 3.1Å; D7-R101 PolarHBondContact OD1-NH2 3.37Å; D7-R101 IonicContact OD2-CZ 3.26Å; D7-R101 IonicContact OD2-NE 3.78Å; D7-R101 IonicContact OD2-NH2 3.79Å; D7-R101 PolarHBondContact OD2-NH2 3.07Å |
| 8 | A | 92.6 | Very high | 89.6 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W3 S4 F11 A12 | W3-A8 HydrophobicContact CB-CB 4.49Å; W3-A8 HydrophobicContact CE3-CB 4.14Å; S4-A8 PolarHBondContact O-N 3.04Å; A8-F11 PolarHBondContact O-N 2.65Å; A8-A12 VanDerWaalsContact O-CB 3.28Å; A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 3.38Å |
| 9 | A | 94.7 | Very high | 89.9 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E5 D7 A13 | E5-A9 WeakPolarHBondContact O-CB 3.22Å; E5-A9 PolarHBondContact O-N 3.13Å; D7-A9 VanDerWaalsContact C-N 3.35Å; D7-A9 PolarHBondContact O-N 3.42Å; A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 2.88Å |
| 10 | L | 95.5 | Very high | 90.2 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -48.3 | 176.1 | 176.2 | 64.7 | 0 | 0 | 0 | 111.6 | T6 D7 A13 V14 R97 A98 R101 | T6-L10 WeakPolarHBondContact O-CB 3.21Å; T6-L10 PolarHBondContact O-N 2.91Å; D7-L10 PolarHBondContact O-N 2.84Å; L10-A13 PolarHBondContact O-N 3.43Å; L10-V14 HydrophobicContact CD1-CG2 4.03Å; L10-V14 WeakPolarHBondContact O-CG2 3.3Å; L10-V14 PolarHBondContact O-N 2.65Å; L10-R97 HydrophobicContact CD2-CB 4.36Å; L10-R97 HydrophobicContact CD2-CG 3.81Å; L10-A98 HydrophobicContact CD2-CB 4.34Å; L10-A98 HydrophobicContact CG-CB 4.21Å; L10-R101 HydrophobicContact CD2-CG 4.13Å |
| 11 | F | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.1 | -41.3 | 179.8 | -62.6 | -33.9 | 0 | 0 | 0 | 112 | W3 D7 A8 A13 V14 L15 A20 A98 R101 L102 L105 | W3-F11 AromaticContact CD2-CD2 3.9Å; W3-F11 HydrophobicContact CD2-CD2 3.9Å; W3-F11 HydrophobicContact CD2-CE2 4.06Å; W3-F11 AromaticContact CE2-CE2 3.99Å; W3-F11 AromaticContact CE3-CD2 3.71Å; W3-F11 HydrophobicContact CE3-CD2 3.71Å; W3-F11 HydrophobicContact CE3-CE2 4.34Å; W3-F11 HydrophobicContact CG-CE2 4.48Å; W3-F11 HydrophobicContact CH2-CB 4.38Å; W3-F11 AromaticContact CH2-CD2 3.62Å; W3-F11 HydrophobicContact CH2-CD2 3.62Å; W3-F11 HydrophobicContact CH2-CE2 4.31Å; W3-F11 HydrophobicContact CH2-CG 4.35Å; W3-F11 AromaticContact CZ2-CD2 3.9Å; W3-F11 HydrophobicContact CZ2-CD2 3.9Å; W3-F11 HydrophobicContact CZ2-CE2 4.12Å; W3-F11 HydrophobicContact CZ3-CB 4.15Å; W3-F11 AromaticContact CZ3-CD2 3.58Å; W3-F11 HydrophobicContact CZ3-CD2 3.58Å; W3-F11 HydrophobicContact CZ3-CE2 4.47Å; W3-F11 HydrophobicContact CZ3-CG 4.33Å; D7-F11 HydrophobicContact CB-CD2 4.4Å; D7-F11 HydrophobicContact CB-CE2 3.97Å; D7-F11 HydrophobicContact CB-CZ 4.44Å; D7-F11 WeakPolarHBondContact O-CB 3.39Å; D7-F11 WeakPolarHBondContact O-CD2 3.46Å; D7-F11 VanDerWaalsContact O-CG 3.24Å; D7-F11 WeakPolarHBondContact O-CG 3.14Å; D7-F11 PolarHBondContact O-N 2.98Å; A8-F11 PolarHBondContact O-N 2.65Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.33Å; F11-V14 PolarHBondContact O-N 2.8Å; F11-L15 HydrophobicContact CB-CD1 4.15Å; F11-L15 HydrophobicContact CD1-CD1 4.4Å; F11-L15 HydrophobicContact CG-CD1 4.47Å; F11-L15 WeakPolarHBondContact O-CA 3.37Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.46Å; F11-L15 PolarHBondContact O-N 3.03Å; F11-A20 HydrophobicContact CB-CB 3.92Å; F11-A98 HydrophobicContact CD1-CB 4.19Å; F11-A98 HydrophobicContact CE1-CB 4.27Å; F11-A98 WeakPolarHBondContact CE1-O 3.38Å; F11-R101 HydrophobicContact CE1-CB 3.9Å; F11-R101 HydrophobicContact CZ-CB 3.68Å; F11-L102 HydrophobicContact CD1-CD2 4.24Å; F11-L102 HydrophobicContact CD1-CG 4.29Å; F11-L102 HydrophobicContact CE1-CD2 3.78Å; F11-L102 HydrophobicContact CE1-CG 3.64Å; F11-L102 HydrophobicContact CE2-CD2 4.1Å; F11-L102 HydrophobicContact CZ-CD2 3.69Å; F11-L102 HydrophobicContact CZ-CG 3.91Å; F11-L105 HydrophobicContact CE2-CD1 3.72Å; F11-L105 HydrophobicContact CZ-CD1 3.89Å |
| 12 | A | 95.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A8 G16 R17 A20 | A8-A12 VanDerWaalsContact O-CB 3.28Å; A8-A12 WeakPolarHBondContact O-CB 3.31Å; A8-A12 PolarHBondContact O-N 3.38Å; A12-G16 CarbonylContact O-C 3.58Å; A12-G16 WeakPolarHBondContact O-CA 3.41Å; A12-G16 PolarHBondContact O-N 2.87Å; A12-G16 VanDerWaalsContact O-N 3.16Å; A12-R17 HydrophobicContact CB-CG 4.4Å; A12-A20 HydrophobicContact CB-CB 4.49Å |
| 13 | A | 94.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -72.4 | -35.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A9 L10 F11 | A9-A13 VanDerWaalsContact O-CB 3.29Å; A9-A13 WeakPolarHBondContact O-CB 3.45Å; A9-A13 PolarHBondContact O-N 2.88Å; L10-A13 PolarHBondContact O-N 3.43Å; F11-A13 VanDerWaalsContact C-N 3.27Å; F11-A13 PolarHBondContact O-N 3.33Å |
| 14 | V | 95 | Very high | 93.5 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -93.4 | -40.7 | -175.6 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | L10 F11 A94 R95 A98 M128 | L10-V14 HydrophobicContact CD1-CG2 4.03Å; L10-V14 WeakPolarHBondContact O-CG2 3.3Å; L10-V14 PolarHBondContact O-N 2.65Å; F11-V14 PolarHBondContact O-N 2.8Å; V14-A94 HydrophobicContact CG2-CB 4.06Å; V14-R95 HydrophobicContact CG1-CG 3.98Å; V14-A98 HydrophobicContact CB-CB 4.17Å; V14-A98 HydrophobicContact CG1-CB 4.09Å; V14-A98 HydrophobicContact CG2-CB 4.17Å; V14-M128 HydrophobicContact CG1-CE 3.64Å; V14-M128 HydrophobicContact CG1-CG 4.15Å; V14-M128 HydrophobicContact CG1-SD 4.1Å |
| 15 | L | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -95.4 | -20 | -175.9 | -50.5 | 178.3 | 0 | 0 | 0 | 113.1 | F11 A19 L23 L102 M128 A132 L171 | F11-L15 HydrophobicContact CB-CD1 4.15Å; F11-L15 HydrophobicContact CD1-CD1 4.4Å; F11-L15 HydrophobicContact CG-CD1 4.47Å; F11-L15 WeakPolarHBondContact O-CA 3.37Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.46Å; F11-L15 PolarHBondContact O-N 3.03Å; L15-A19 HydrophobicContact CB-CB 3.97Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-L23 HydrophobicContact CD1-CD1 3.53Å; L15-L102 HydrophobicContact CD1-CD1 4.34Å; L15-M128 HydrophobicContact CD2-CE 3.45Å; L15-M128 VanDerWaalsContact CD2-CE 3.45Å; L15-A132 HydrophobicContact CD2-CB 3.89Å; L15-L171 HydrophobicContact CD2-CD1 4.03Å; L15-L171 HydrophobicContact CD2-CD2 3.99Å |
| 16 | G | 95.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | trans | 88.1 | 158.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A12 A20 | A12-G16 CarbonylContact O-C 3.58Å; A12-G16 WeakPolarHBondContact O-CA 3.41Å; A12-G16 PolarHBondContact O-N 2.87Å; A12-G16 VanDerWaalsContact O-N 3.16Å; G16-A20 VanDerWaalsContact O-CB 3.3Å; G16-A20 WeakPolarHBondContact O-CB 3.22Å; G16-A20 PolarHBondContact O-N 3.4Å | ||
| 17 | R | 94.1 | Very high | 92.9 | Very high | 206 Ų | 206 | 47.7 Ų | 47.7 | 78% | 0.777 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | -173 | -69.2 | -178.7 | -179.3 | 166.8 | 0.3 | 113 | A12 A20 H21 | A12-R17 HydrophobicContact CB-CG 4.4Å; R17-A20 PolarHBondContact O-N 2.79Å; R17-H21 VanDerWaalsContact O-CB 3.29Å; R17-H21 WeakPolarHBondContact O-CB 3.37Å; R17-H21 PolarHBondContact O-N 2.99Å |
| 18 | D | 94.3 | Very high | 92.3 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.4 | -44 | -175.9 | -59.5 | -23.7 | 0 | 0 | 0 | 111.6 | H21 H22 | D18-H21 PolarHBondContact O-N 3.47Å; D18-H22 WeakPolarHBondContact O-CB 3.49Å; D18-H22 PolarHBondContact O-N 2.95Å |
| 19 | A | 95.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L15 H22 L23 F136 V167 | L15-A19 HydrophobicContact CB-CB 3.97Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; A19-H22 PolarHBondContact O-N 3.36Å; A19-L23 WeakPolarHBondContact O-CG 3.19Å; A19-L23 PolarHBondContact O-N 3.13Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A19-F136 HydrophobicContact CB-CE1 4.2Å; A19-F136 HydrophobicContact CB-CZ 4.01Å; A19-V167 PolarHBondContact N-O 3.31Å |
| 20 | A | 94.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W3 F11 A12 G16 R17 H22 L23 S24 | W3-A20 HydrophobicContact CH2-CB 4.36Å; W3-A20 WeakPolarHBondContact CH2-O 3.41Å; W3-A20 HydrophobicContact CZ3-CB 4.08Å; W3-A20 VanDerWaalsContact CZ3-O 3.22Å; W3-A20 WeakPolarHBondContact CZ3-O 3.46Å; F11-A20 HydrophobicContact CB-CB 3.92Å; A12-A20 HydrophobicContact CB-CB 4.49Å; G16-A20 VanDerWaalsContact O-CB 3.3Å; G16-A20 WeakPolarHBondContact O-CB 3.22Å; G16-A20 PolarHBondContact O-N 3.4Å; R17-A20 PolarHBondContact O-N 2.79Å; A20-H22 VanDerWaalsContact C-N 3.31Å; A20-H22 PolarHBondContact O-N 2.88Å; A20-L23 PolarHBondContact O-N 3.31Å; A20-S24 PolarHBondContact O-N 3.46Å |
| 21 | H | 93.3 | Very high | 87.9 | Confident | 123 Ų | 123 | 55.1 Ų | 55.1 | 57% | 0.569 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 176.3 | 178.7 | -90.6 | 0 | 0 | 0 | 111.8 | R17 D18 S24 T25 | R17-H21 VanDerWaalsContact O-CB 3.29Å; R17-H21 WeakPolarHBondContact O-CB 3.37Å; R17-H21 PolarHBondContact O-N 2.99Å; D18-H21 PolarHBondContact O-N 3.47Å; H21-S24 PolarHBondContact O-N 2.88Å; H21-S24 PolarHBondContact O-OG 2.77Å; H21-T25 PolarHBondContact O-N 2.9Å; H21-T25 VanDerWaalsContact O-N 3.14Å; H21-T25 PolarHBondContact O-OG1 3.43Å |
| 22 | H | 93.6 | Very high | 85.7 | Confident | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.069 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 176.9 | -174.5 | 91.8 | 0 | 0 | 0 | 112.2 | D18 A19 A20 S24 T25 T26 F136 S137 F138 V167 | D18-H22 WeakPolarHBondContact O-CB 3.49Å; D18-H22 PolarHBondContact O-N 2.95Å; A19-H22 PolarHBondContact O-N 3.36Å; A20-H22 VanDerWaalsContact C-N 3.31Å; A20-H22 PolarHBondContact O-N 2.88Å; H22-S24 VanDerWaalsContact C-N 3.26Å; H22-S24 PolarHBondContact O-N 3.12Å; H22-T25 PolarHBondContact O-N 2.88Å; H22-T25 PolarHBondContact O-OG1 3.25Å; H22-T26 WeakPolarHBondContact O-CA 3.08Å; H22-T26 VanDerWaalsContact O-CB 3.26Å; H22-T26 WeakPolarHBondContact O-CB 2.87Å; H22-T26 PolarHBondContact O-N 3.45Å; H22-T26 PolarHBondContact O-OG1 2.72Å; H22-F136 AromaticContact CD2-CD1 3.63Å; H22-S137 PolarHBondContact NE2-O 3.39Å; H22-F138 AromaticContact CE1-CD1 3.96Å; H22-F138 AromaticContact NE2-CD1 3.92Å; H22-F138 AromaticContact NE2-CE1 3.92Å; H22-V167 HydrophobicContact CB-CG1 3.46Å; H22-V167 VanDerWaalsContact CB-CG1 3.46Å |
| 23 | L | 92 | Very high | 83.6 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.3 | -33.6 | 177.4 | -72.7 | 172.1 | 0 | 0 | 0 | 112.9 | W3 L15 A19 A20 T25 L102 Y106 Y135 F136 | W3-L23 HydrophobicContact CH2-CB 3.72Å; W3-L23 HydrophobicContact CZ2-CB 3.66Å; L15-L23 HydrophobicContact CD1-CD1 3.53Å; A19-L23 WeakPolarHBondContact O-CG 3.19Å; A19-L23 PolarHBondContact O-N 3.13Å; A19-L23 VanDerWaalsContact O-N 3.1Å; A20-L23 PolarHBondContact O-N 3.31Å; L23-T25 VanDerWaalsContact C-N 3.32Å; L23-L102 HydrophobicContact CD1-CD2 3.86Å; L23-Y106 PolarHBondContact O-OH 2.92Å; L23-Y135 WeakPolarHBondContact CD2-O 3.4Å; L23-F136 HydrophobicContact CD1-CE1 4.28Å; L23-F136 HydrophobicContact CD1-CE2 3.81Å; L23-F136 HydrophobicContact CD1-CZ 3.63Å; L23-F136 HydrophobicContact CD2-CD1 4Å; L23-F136 HydrophobicContact CD2-CD2 3.83Å; L23-F136 HydrophobicContact CD2-CE1 4.04Å; L23-F136 HydrophobicContact CD2-CE2 3.9Å; L23-F136 HydrophobicContact CD2-CG 3.88Å; L23-F136 HydrophobicContact CD2-CZ 3.99Å; L23-F136 HydrophobicContact CG-CD1 4.22Å; L23-F136 HydrophobicContact CG-CD2 4.41Å; L23-F136 HydrophobicContact CG-CE1 3.77Å; L23-F136 HydrophobicContact CG-CE2 4Å; L23-F136 HydrophobicContact CG-CZ 3.65Å |
| 24 | S | 90.7 | Very high | 81.6 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -27.7 | 178.7 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | A20 H21 H22 | A20-S24 PolarHBondContact O-N 3.46Å; H21-S24 PolarHBondContact O-N 2.88Å; H21-S24 PolarHBondContact O-OG 2.77Å; H22-S24 VanDerWaalsContact C-N 3.26Å; H22-S24 PolarHBondContact O-N 3.12Å |
| 25 | T | 89.1 | Confident | 79.4 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 49% | 0.485 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -104.6 | -25.1 | -174.9 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | H21 H22 L23 | H21-T25 PolarHBondContact O-N 2.9Å; H21-T25 VanDerWaalsContact O-N 3.14Å; H21-T25 PolarHBondContact O-OG1 3.43Å; H22-T25 PolarHBondContact O-N 2.88Å; H22-T25 PolarHBondContact O-OG1 3.25Å; L23-T25 VanDerWaalsContact C-N 3.32Å |
| 26 | T | 87.9 | Confident | 77.5 | Confident | 24 Ų | 24 | 65.4 Ų | 65.4 | 15% | 0.147 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -120.9 | 94.5 | -176.1 | -50.1 | 0 | 0 | 0 | 0 | 108.5 | H22 S137 P139 | H22-T26 WeakPolarHBondContact O-CA 3.08Å; H22-T26 VanDerWaalsContact O-CB 3.26Å; H22-T26 WeakPolarHBondContact O-CB 2.87Å; H22-T26 PolarHBondContact O-N 3.45Å; H22-T26 PolarHBondContact O-OG1 2.72Å; T26-S137 WeakPolarHBondContact CG2-OG 3.34Å; T26-P139 HydrophobicContact CG2-CG 4.09Å |
| 27 | P | 79.3 | Confident | 76.2 | Confident | 90 Ų | 90 | 67 Ų | 67 | 58% | 0.584 | 40% | 0.395 | S | S | * | . | trans | -64.3 | 148.6 | -178.1 | 25.9 | -33.1 | 0 | 0 | 0 | 111.3 | H29 S137 | P27-H29 PolarHBondContact O-N 3.03Å; P27-S137 PolarHBondContact O-OG 3.2Å | ||
| 28 | P | 79 | Confident | 75.3 | Confident | 22 Ų | 22 | 62.3 Ų | 62.3 | 14% | 0.143 | 39% | 0.391 | C | S | . | . | trans | -59.3 | 141.7 | 175.6 | 16.2 | -22.3 | 0 | 0 | 0 | 110.5 | Y106 Y135 | P28-Y106 HydrophobicContact CG-CD1 3.3Å; P28-Y106 HydrophobicContact CG-CD2 4.47Å; P28-Y106 HydrophobicContact CG-CE1 4Å; P28-Y106 HydrophobicContact CG-CG 3.57Å; P28-Y135 WeakPolarHBondContact CB-O 3.41Å | ||
| 29 | H | 72 | Confident | 74.7 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 19% | 0.19 | 39% | 0.39 | C | S | . | . | trans | -86.7 | 115.1 | 173.4 | -173.2 | 66.5 | 0 | 0 | 0 | 108.6 | P27 D31 S63 V70 | P27-H29 PolarHBondContact O-N 3.03Å; H29-D31 IonicContact CE1-OD1 3.88Å; H29-D31 IonicContact CE1-OD2 3.67Å; H29-D31 VanDerWaalsContact NE2-CB 3.3Å; H29-D31 WeakPolarHBondContact NE2-CB 3.36Å; H29-D31 IonicContact NE2-OD1 2.89Å; H29-D31 IonicContact NE2-OD2 3.89Å; H29-D31 PolarHBondContact NE2-OD2 3.4Å; H29-D31 VanDerWaalsContact NE2-OD2 3.1Å; H29-S63 PolarHBondContact CD2-OG 3.36Å; H29-S63 PolarHBondContact CE1-OG 3.35Å; H29-S63 VanDerWaalsContact NE2-CB 3.32Å; H29-S63 WeakPolarHBondContact NE2-CB 3.4Å; H29-S63 PolarHBondContact NE2-OG 3.2Å; H29-V70 HydrophobicContact CB-CG1 4.37Å | ||
| 30 | Q | 61.8 | Low | 74.2 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 59% | 0.593 | 40% | 0.395 | S | S | * | . | trans | -98.1 | 17.7 | -171.7 | -69.4 | -175.9 | -7.9 | 0 | 0 | 114 | A32 Y106 | Q30-A32 PolarHBondContact O-N 2.92Å; Q30-Y106 PolarHBondContact NE2-O 3.22Å | ||
| 31 | D | 56.5 | Low | 73.9 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | trans | -60.5 | 113.3 | 166.9 | -78.5 | -6.2 | 0 | 0 | 0 | 106.8 | H29 | H29-D31 IonicContact CE1-OD1 3.88Å; H29-D31 IonicContact CE1-OD2 3.67Å; H29-D31 VanDerWaalsContact NE2-CB 3.3Å; H29-D31 WeakPolarHBondContact NE2-CB 3.36Å; H29-D31 IonicContact NE2-OD1 2.89Å; H29-D31 IonicContact NE2-OD2 3.89Å; H29-D31 PolarHBondContact NE2-OD2 3.4Å; H29-D31 VanDerWaalsContact NE2-OD2 3.1Å | ||
| 32 | A | 50.5 | Low | 73.7 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 66% | 0.661 | 40% | 0.4 | S | S | * | . | trans | -48.5 | 130.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q30 A34 | Q30-A32 PolarHBondContact O-N 2.92Å; A32-A34 PolarHBondContact O-N 3.1Å | ||
| 33 | P | 51 | Low | 73.3 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | trans | -49.9 | 125 | -179.3 | 21.8 | -32.9 | 0 | 0 | 0 | 106.7 | A35 G74 | P33-A35 VanDerWaalsContact C-N 3.3Å; P33-A35 VanDerWaalsContact O-CA 3.3Å; P33-A35 WeakPolarHBondContact O-CA 3.49Å; P33-A35 PolarHBondContact O-N 3.27Å; P33-G74 WeakPolarHBondContact CB-O 3.5Å | ||
| 34 | A | 51.6 | Low | 73.2 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 57% | 0.57 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -56.2 | 102.3 | -174 | 0 | 0 | 0 | 0 | 0 | 106.3 | A32 S36 | A32-A34 PolarHBondContact O-N 3.1Å; A34-S36 PolarHBondContact O-N 2.81Å |
| 35 | A | 49.9 | Very low | 73.3 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -7.9 | 101.4 | -156.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P33 A37 | P33-A35 VanDerWaalsContact C-N 3.3Å; P33-A35 VanDerWaalsContact O-CA 3.3Å; P33-A35 WeakPolarHBondContact O-CA 3.49Å; P33-A35 PolarHBondContact O-N 3.27Å; A35-A37 PolarHBondContact O-N 3.13Å |
| 36 | S | 56.2 | Low | 73.3 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 44% | 0.441 | 40% | 0.404 | S | S | . | . | trans | -30.3 | 105.5 | -173.9 | 52.7 | 0 | 0 | 0 | 0 | 109.9 | A34 P38 | A34-S36 PolarHBondContact O-N 2.81Å; S36-P38 VanDerWaalsContact O-CD 3.23Å; S36-P38 WeakPolarHBondContact O-CD 3.35Å | ||
| 37 | A | 68.1 | Low | 73.3 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 35% | 0.347 | 40% | 0.402 | S | S | . | . | trans | -59.7 | 119.5 | -177 | 0 | 0 | 0 | 0 | 0 | 104.5 | A35 E39 L40 Q41 | A35-A37 PolarHBondContact O-N 3.13Å; A37-E39 CarbonylContact O-C 3.6Å; A37-E39 PolarHBondContact O-N 3.18Å; A37-L40 HydrophobicContact CB-CB 4.17Å; A37-L40 WeakPolarHBondContact O-CA 3.41Å; A37-L40 WeakPolarHBondContact O-CB 3.32Å; A37-L40 PolarHBondContact O-N 3.38Å; A37-Q41 PolarHBondContact O-N 2.99Å | ||
| 38 | P | 75.1 | Confident | 73.9 | Confident | 107 Ų | 107 | 62 Ų | 62 | 70% | 0.695 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57 | -22.9 | -175.9 | 21 | -33 | 0 | 0 | 0 | 111.4 | S36 A42 | S36-P38 VanDerWaalsContact O-CD 3.23Å; S36-P38 WeakPolarHBondContact O-CD 3.35Å; P38-A42 VanDerWaalsContact O-CB 3.29Å; P38-A42 WeakPolarHBondContact O-CB 3.38Å; P38-A42 PolarHBondContact O-N 3.19Å |
| 39 | E | 81.7 | Confident | 74.4 | Confident | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67 | -39.6 | 170 | -54.5 | 179.8 | 179.3 | 0 | 0 | 113.8 | A37 R43 | A37-E39 CarbonylContact O-C 3.6Å; A37-E39 PolarHBondContact O-N 3.18Å; E39-R43 WeakPolarHBondContact O-CB 3.34Å; E39-R43 WeakPolarHBondContact O-CG 3.43Å; E39-R43 PolarHBondContact O-N 2.88Å; E39-R43 PolarHBondContact O-NE 2.83Å; E39-R43 IonicContact OE2-NH1 2.78Å |
| 40 | L | 85.1 | Confident | 74.8 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 175.4 | 178.6 | 61.3 | 0 | 0 | 0 | 110.5 | A37 A42 R43 L44 F59 D75 | A37-L40 HydrophobicContact CB-CB 4.17Å; A37-L40 WeakPolarHBondContact O-CA 3.41Å; A37-L40 WeakPolarHBondContact O-CB 3.32Å; A37-L40 PolarHBondContact O-N 3.38Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 3.14Å; L40-R43 VanDerWaalsContact CA-NH2 3.34Å; L40-R43 WeakPolarHBondContact O-CB 3.37Å; L40-R43 PolarHBondContact O-N 2.91Å; L40-R43 VanDerWaalsContact O-N 3.12Å; L40-L44 HydrophobicContact CD1-CD1 4.38Å; L40-L44 HydrophobicContact CD1-CG 4.31Å; L40-L44 HydrophobicContact CG-CD1 4.22Å; L40-L44 WeakPolarHBondContact O-CG 2.99Å; L40-L44 PolarHBondContact O-N 3.26Å; L40-F59 HydrophobicContact CD1-CB 4.36Å; L40-F59 HydrophobicContact CD1-CG 4.32Å; L40-F59 HydrophobicContact CD2-CB 4.15Å; L40-F59 HydrophobicContact CD2-CD1 3.63Å; L40-F59 HydrophobicContact CD2-CE1 4.26Å; L40-F59 HydrophobicContact CD2-CG 3.99Å; L40-D75 HydrophobicContact CD2-CB 3.64Å; L40-D75 HydrophobicContact CG-CB 4.08Å |
| 41 | Q | 88.2 | Confident | 75.2 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178 | -173.2 | 61.1 | -1 | 0 | 0 | 111.8 | A37 R43 L44 Q45 D75 G76 | A37-Q41 PolarHBondContact O-N 2.99Å; Q41-R43 VanDerWaalsContact C-N 3.3Å; Q41-R43 PolarHBondContact O-N 2.82Å; Q41-L44 PolarHBondContact O-N 2.89Å; Q41-Q45 WeakPolarHBondContact O-CB 3.47Å; Q41-Q45 PolarHBondContact O-N 3.39Å; Q41-D75 WeakPolarHBondContact CB-OD2 3.26Å; Q41-D75 PolarHBondContact N-OD2 3.16Å; Q41-D75 PolarHBondContact OE1-OD1 2.88Å; Q41-D75 PolarHBondContact OE1-OD2 3.39Å; Q41-G76 PolarHBondContact NE2-O 2.94Å; Q41-G76 PolarHBondContact OE1-O 3.23Å |
| 42 | A | 88.2 | Confident | 76 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.9 | -38 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P38 L40 D46 | P38-A42 VanDerWaalsContact O-CB 3.29Å; P38-A42 WeakPolarHBondContact O-CB 3.38Å; P38-A42 PolarHBondContact O-N 3.19Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 3.14Å; A42-D46 WeakPolarHBondContact O-CB 3.42Å; A42-D46 PolarHBondContact O-N 2.8Å |
| 43 | R | 85.5 | Confident | 77.8 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 176.2 | -76.3 | -177.6 | -59.1 | -106 | 2.7 | 112.4 | E39 L40 Q41 Q45 D46 L47 | E39-R43 WeakPolarHBondContact O-CB 3.34Å; E39-R43 WeakPolarHBondContact O-CG 3.43Å; E39-R43 PolarHBondContact O-N 2.88Å; E39-R43 PolarHBondContact O-NE 2.83Å; E39-R43 IonicContact OE2-NH1 2.78Å; L40-R43 VanDerWaalsContact CA-NH2 3.34Å; L40-R43 WeakPolarHBondContact O-CB 3.37Å; L40-R43 PolarHBondContact O-N 2.91Å; L40-R43 VanDerWaalsContact O-N 3.12Å; Q41-R43 VanDerWaalsContact C-N 3.3Å; Q41-R43 PolarHBondContact O-N 2.82Å; R43-Q45 VanDerWaalsContact C-N 3.34Å; R43-D46 PolarHBondContact O-N 3.1Å; R43-L47 VanDerWaalsContact O-CB 3.23Å; R43-L47 WeakPolarHBondContact O-CB 3.43Å; R43-L47 PolarHBondContact O-N 2.94Å |
| 44 | L | 90.8 | Very high | 79.8 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.2 | -72.5 | 174.1 | 0 | 0 | 0 | 110.7 | L40 Q41 L47 V48 F59 D75 H77 L190 | L40-L44 HydrophobicContact CD1-CD1 4.38Å; L40-L44 HydrophobicContact CD1-CG 4.31Å; L40-L44 HydrophobicContact CG-CD1 4.22Å; L40-L44 WeakPolarHBondContact O-CG 2.99Å; L40-L44 PolarHBondContact O-N 3.26Å; Q41-L44 PolarHBondContact O-N 2.89Å; L44-L47 PolarHBondContact O-N 3.27Å; L44-V48 WeakPolarHBondContact O-CB 3.3Å; L44-V48 VanDerWaalsContact O-CG2 3.29Å; L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.5Å; L44-F59 HydrophobicContact CD1-CB 4.27Å; L44-D75 HydrophobicContact CD1-CB 3.87Å; L44-H77 HydrophobicContact CB-CB 4.13Å; L44-L190 HydrophobicContact CD2-CD1 3.32Å |
| 45 | Q | 91.1 | Very high | 81.8 | Confident | 97 Ų | 97 | 59.4 Ų | 59.4 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 174.7 | -176.6 | 178.8 | -8.6 | 0 | 0 | 111.7 | Q41 R43 L47 V48 E49 | Q41-Q45 WeakPolarHBondContact O-CB 3.47Å; Q41-Q45 PolarHBondContact O-N 3.39Å; R43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.34Å; Q45-V48 PolarHBondContact O-N 2.97Å; Q45-E49 HydrophobicContact CG-CG 4.05Å; Q45-E49 WeakPolarHBondContact O-CB 3.48Å; Q45-E49 VanDerWaalsContact O-CG 3.32Å; Q45-E49 WeakPolarHBondContact O-CG 3.28Å; Q45-E49 PolarHBondContact O-N 2.97Å |
| 46 | D | 89.1 | Confident | 84 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -46 | 177.7 | -166.2 | 75.8 | 0 | 0 | 0 | 111.6 | A42 R43 V48 R50 | A42-D46 WeakPolarHBondContact O-CB 3.42Å; A42-D46 PolarHBondContact O-N 2.8Å; R43-D46 PolarHBondContact O-N 3.1Å; D46-V48 PolarHBondContact O-N 3.38Å; D46-R50 WeakPolarHBondContact O-CA 3.22Å; D46-R50 WeakPolarHBondContact O-CB 3.33Å; D46-R50 WeakPolarHBondContact O-CG 3.47Å; D46-R50 PolarHBondContact O-N 2.89Å; D46-R50 WeakPolarHBondContact OD1-CD 3.32Å; D46-R50 IonicContact OD1-CZ 3.64Å; D46-R50 IonicContact OD1-NE 2.92Å; D46-R50 PolarHBondContact OD1-NE 3.43Å; D46-R50 IonicContact OD1-NH1 3.51Å; D46-R50 PolarHBondContact OD1-NH1 3.38Å; D46-R50 IonicContact OD1-NH2 3.87Å; D46-R50 PolarHBondContact OD1-NH2 2.84Å; D46-R50 IonicContact OD2-NH1 2.75Å |
| 47 | L | 88.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 52.1 Ų | 52.1 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 179.9 | -177.6 | 59.1 | 0 | 0 | 0 | 112.1 | R43 L44 Q45 G51 L190 L192 L208 A211 | R43-L47 VanDerWaalsContact O-CB 3.23Å; R43-L47 WeakPolarHBondContact O-CB 3.43Å; R43-L47 PolarHBondContact O-N 2.94Å; L44-L47 PolarHBondContact O-N 3.27Å; Q45-L47 VanDerWaalsContact C-N 3.34Å; Q45-L47 PolarHBondContact O-N 3.34Å; L47-G51 VanDerWaalsContact O-CA 3.29Å; L47-G51 WeakPolarHBondContact O-CA 3.39Å; L47-G51 PolarHBondContact O-N 2.97Å; L47-L190 HydrophobicContact CD2-CD2 3.6Å; L47-L192 HydrophobicContact CD2-CD1 4.03Å; L47-L192 HydrophobicContact CD2-CD2 3.71Å; L47-L192 HydrophobicContact CD2-CG 4.39Å; L47-L192 HydrophobicContact CG-CD2 4.13Å; L47-L208 HydrophobicContact CD1-CD2 3.82Å; L47-A211 HydrophobicContact CD1-CB 3.74Å |
| 48 | V | 92 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.2 | -49.1 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L44 Q45 D46 W54 Y56 G57 R79 | L44-V48 WeakPolarHBondContact O-CB 3.3Å; L44-V48 VanDerWaalsContact O-CG2 3.29Å; L44-V48 WeakPolarHBondContact O-CG2 3.41Å; L44-V48 PolarHBondContact O-N 3.5Å; Q45-V48 PolarHBondContact O-N 2.97Å; D46-V48 PolarHBondContact O-N 3.38Å; V48-W54 HydrophobicContact CG2-CB 4.48Å; V48-Y56 VanDerWaalsContact CG2-C 3.43Å; V48-G57 VanDerWaalsContact CG2-N 3.29Å; V48-R79 HydrophobicContact CG1-CB 4.08Å; V48-R79 PolarHBondContact O-NH2 3.37Å |
| 49 | E | 89.5 | Confident | 88.1 | Confident | 86 Ų | 86 | 46 Ų | 46 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -75.6 | -37.7 | -173.9 | -61.6 | -56.8 | 161.5 | 0 | 0 | 112.7 | Q45 H77 R79 | Q45-E49 HydrophobicContact CG-CG 4.05Å; Q45-E49 WeakPolarHBondContact O-CB 3.48Å; Q45-E49 VanDerWaalsContact O-CG 3.32Å; Q45-E49 WeakPolarHBondContact O-CG 3.28Å; Q45-E49 PolarHBondContact O-N 2.97Å; E49-H77 IonicContact OE1-CD2 3.78Å; E49-H77 IonicContact OE1-CE1 2.7Å; E49-H77 IonicContact OE1-NE2 3.5Å; E49-H77 PolarHBondContact OE1-NE2 2.91Å; E49-R79 IonicContact OE2-NE 3.14Å |
| 50 | R | 80.4 | Confident | 88.7 | Confident | 198 Ų | 198 | 40.2 Ų | 40.2 | 75% | 0.747 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -86 | -28.9 | 178.2 | -59.4 | -168.8 | 175.8 | 167.8 | 4.2 | 113.5 | D46 G52 | D46-R50 WeakPolarHBondContact O-CA 3.22Å; D46-R50 WeakPolarHBondContact O-CB 3.33Å; D46-R50 WeakPolarHBondContact O-CG 3.47Å; D46-R50 PolarHBondContact O-N 2.89Å; D46-R50 WeakPolarHBondContact OD1-CD 3.32Å; D46-R50 IonicContact OD1-CZ 3.64Å; D46-R50 IonicContact OD1-NE 2.92Å; D46-R50 PolarHBondContact OD1-NE 3.43Å; D46-R50 IonicContact OD1-NH1 3.51Å; D46-R50 PolarHBondContact OD1-NH1 3.38Å; D46-R50 IonicContact OD1-NH2 3.87Å; D46-R50 PolarHBondContact OD1-NH2 2.84Å; D46-R50 IonicContact OD2-NH1 2.75Å; R50-G52 PolarHBondContact O-N 2.95Å |
| 51 | G | 70.8 | Confident | 89 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -66.9 | -13.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L47 A53 | L47-G51 VanDerWaalsContact O-CA 3.29Å; L47-G51 WeakPolarHBondContact O-CA 3.39Å; L47-G51 PolarHBondContact O-N 2.97Å; G51-A53 PolarHBondContact O-N 3Å |
| 52 | G | 72.2 | Confident | 89.1 | Confident | 46 Ų | 46 | 42.5 Ų | 42.5 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 69.5 | -51.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R50 R79 | R50-G52 PolarHBondContact O-N 2.95Å; G52-R79 PolarHBondContact O-NH1 3.14Å; G52-R79 PolarHBondContact O-NH2 3.23Å; G52-R79 VanDerWaalsContact O-NH2 3.15Å |
| 53 | A | 88.4 | Confident | 89 | Confident | 34 Ų | 34 | 40.5 Ų | 40.5 | 28% | 0.281 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -77.3 | -25.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G51 S194 V196 V198 | G51-A53 PolarHBondContact O-N 3Å; A53-S194 WeakPolarHBondContact O-CB 3.32Å; A53-S194 PolarHBondContact O-OG 2.7Å; A53-V196 HydrophobicContact CB-CG2 4.34Å; A53-V198 HydrophobicContact CB-CG2 4.06Å |
| 54 | W | 93.7 | Very high | 88.6 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | trans | -83.4 | 134.5 | -173.7 | -51.2 | 117.7 | 0 | 0 | 0 | 112 | V48 R79 V181 L192 V198 L208 | V48-W54 HydrophobicContact CG2-CB 4.48Å; W54-R79 PolarHBondContact O-NH1 3.36Å; W54-R79 PolarHBondContact O-NH2 3.17Å; W54-V181 HydrophobicContact CH2-CG2 3.88Å; W54-V181 HydrophobicContact CZ3-CG2 4.04Å; W54-L192 HydrophobicContact CD2-CB 3.99Å; W54-L192 HydrophobicContact CD2-CD1 4.16Å; W54-L192 HydrophobicContact CD2-CD2 4.44Å; W54-L192 HydrophobicContact CD2-CG 4.45Å; W54-L192 HydrophobicContact CE3-CB 3.61Å; W54-L192 HydrophobicContact CE3-CD1 4.48Å; W54-L192 HydrophobicContact CG-CD2 4.29Å; W54-L192 HydrophobicContact CH2-CB 4.43Å; W54-L192 HydrophobicContact CH2-CD1 4.47Å; W54-L192 HydrophobicContact CZ2-CD1 4.16Å; W54-L192 HydrophobicContact CZ3-CB 3.85Å; W54-V198 HydrophobicContact CH2-CB 4.3Å; W54-V198 HydrophobicContact CH2-CG1 3.98Å; W54-V198 HydrophobicContact CH2-CG2 4.28Å; W54-V198 HydrophobicContact CZ2-CG1 4.38Å; W54-V198 HydrophobicContact CZ3-CG2 4.18Å; W54-L208 HydrophobicContact CH2-CD1 4.3Å; W54-L208 HydrophobicContact CZ2-CD1 3.85Å; W54-L208 HydrophobicContact CZ2-CD2 3.8Å; W54-L208 HydrophobicContact CZ2-CG 4.3Å | ||
| 55 | T | 94.1 | Very high | 87.5 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -89.7 | -33.8 | 176 | -55.6 | 0 | 0 | 0 | 0 | 111 | R79 A126 L177 G193 A195 | T55-R79 VanDerWaalsContact O-CB 3.29Å; T55-R79 WeakPolarHBondContact O-CB 3.22Å; T55-R79 PolarHBondContact O-N 3.22Å; T55-A126 HydrophobicContact CG2-CB 4.26Å; T55-L177 HydrophobicContact CG2-CD2 4.37Å; T55-G193 WeakPolarHBondContact CB-O 3.48Å; T55-G193 PolarHBondContact N-O 2.95Å; T55-A195 PolarHBondContact OG1-N 2.7Å |
| 56 | Y | 95.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 166.2 | 173.4 | 72.2 | -94.1 | 0 | 0 | 0 | 110.6 | V48 I58 H77 Y129 F130 L177 E191 G193 | V48-Y56 VanDerWaalsContact CG2-C 3.43Å; Y56-I58 HydrophobicContact CD2-CD1 3.75Å; Y56-I58 HydrophobicContact CD2-CG1 3.72Å; Y56-I58 HydrophobicContact CE2-CB 4.5Å; Y56-I58 HydrophobicContact CE2-CD1 3.57Å; Y56-I58 HydrophobicContact CE2-CG1 3.91Å; Y56-H77 CarbonylContact C-O 3.56Å; Y56-H77 WeakPolarHBondContact CA-O 3.3Å; Y56-H77 WeakPolarHBondContact CB-O 3.27Å; Y56-Y129 HydrophobicContact CD1-CD1 4.34Å; Y56-Y129 AromaticContact CE1-CD1 3.68Å; Y56-Y129 HydrophobicContact CE1-CD1 3.68Å; Y56-Y129 AromaticContact CE1-CE1 3.6Å; Y56-Y129 HydrophobicContact CE1-CE1 3.6Å; Y56-Y129 HydrophobicContact CE2-CE1 4.06Å; Y56-Y129 AromaticContact CZ-CD1 3.88Å; Y56-Y129 AromaticContact CZ-CE1 3.31Å; Y56-Y129 WeakPolarHBondContact OH-CE1 3.15Å; Y56-Y129 PolarHBondContact OH-OH 2.87Å; Y56-F130 HydrophobicContact CD2-CD2 4.46Å; Y56-F130 HydrophobicContact CG-CD2 4.44Å; Y56-L177 HydrophobicContact CE1-CD1 3.65Å; Y56-L177 HydrophobicContact CE1-CD2 4.21Å; Y56-E191 HydrophobicContact CE2-CG 4Å; Y56-E191 PolarHBondContact OH-OE1 3.26Å; Y56-G193 VanDerWaalsContact CE1-CA 3.45Å; Y56-G193 PolarHBondContact N-O 3.39Å; Y56-G193 PolarHBondContact O-N 3.3Å |
| 57 | G | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V48 G76 H77 E191 | V48-G57 VanDerWaalsContact CG2-N 3.29Å; G57-G76 CarbonylContact O-C 3.48Å; G57-G76 VanDerWaalsContact O-CA 3.26Å; G57-G76 WeakPolarHBondContact O-CA 3.48Å; G57-H77 PolarHBondContact N-O 3.43Å; G57-H77 PolarHBondContact O-N 3.28Å; G57-E191 CarbonylContact C-O 3.59Å; G57-E191 VanDerWaalsContact CA-O 3.31Å; G57-E191 WeakPolarHBondContact CA-O 3.47Å |
| 58 | I | 95.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.8 | 176.5 | -65.3 | 162 | 0 | 0 | 0 | 108 | Y56 W60 W73 D75 F130 E191 | Y56-I58 HydrophobicContact CD2-CD1 3.75Å; Y56-I58 HydrophobicContact CD2-CG1 3.72Å; Y56-I58 HydrophobicContact CE2-CB 4.5Å; Y56-I58 HydrophobicContact CE2-CD1 3.57Å; Y56-I58 HydrophobicContact CE2-CG1 3.91Å; I58-W60 HydrophobicContact CD1-CZ2 4.36Å; I58-W60 HydrophobicContact CG2-CD2 4.13Å; I58-W60 HydrophobicContact CG2-CG 4.45Å; I58-W60 HydrophobicContact CG2-CH2 4.37Å; I58-W60 HydrophobicContact CG2-CZ2 3.7Å; I58-W73 HydrophobicContact CB-CZ3 4.22Å; I58-W73 HydrophobicContact CD1-CH2 4.27Å; I58-W73 HydrophobicContact CD1-CZ3 3.75Å; I58-W73 HydrophobicContact CG1-CH2 3.81Å; I58-W73 HydrophobicContact CG1-CZ3 3.64Å; I58-W73 HydrophobicContact CG2-CE3 3.74Å; I58-W73 HydrophobicContact CG2-CH2 4.14Å; I58-W73 HydrophobicContact CG2-CZ3 3.51Å; I58-D75 CarbonylContact C-O 3.5Å; I58-D75 WeakPolarHBondContact CA-O 3.45Å; I58-F130 HydrophobicContact CD1-CD2 4.13Å; I58-F130 HydrophobicContact CG1-CD2 3.94Å; I58-F130 HydrophobicContact CG1-CE2 3.91Å; I58-E191 HydrophobicContact CB-CB 4.33Å; I58-E191 PolarHBondContact N-O 2.88Å; I58-E191 PolarHBondContact O-N 3.27Å |
| 59 | F | 94.3 | Very high | 84.4 | Confident | 22 Ų | 22 | 53.4 Ų | 53.4 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.5 | 167.4 | 179.9 | -106.6 | 0 | 0 | 0 | 109.6 | L40 L44 Q61 G74 D75 | L40-F59 HydrophobicContact CD1-CB 4.36Å; L40-F59 HydrophobicContact CD1-CG 4.32Å; L40-F59 HydrophobicContact CD2-CB 4.15Å; L40-F59 HydrophobicContact CD2-CD1 3.63Å; L40-F59 HydrophobicContact CD2-CE1 4.26Å; L40-F59 HydrophobicContact CD2-CG 3.99Å; L44-F59 HydrophobicContact CD1-CB 4.27Å; F59-Q61 HydrophobicContact CD1-CB 4.31Å; F59-Q61 HydrophobicContact CE1-CB 3.86Å; F59-Q61 HydrophobicContact CE1-CG 4.15Å; F59-G74 VanDerWaalsContact O-CA 3.27Å; F59-G74 WeakPolarHBondContact O-CA 3.4Å; F59-G74 PolarHBondContact O-N 3.02Å; F59-D75 PolarHBondContact N-O 2.84Å; F59-D75 PolarHBondContact O-N 3.01Å |
| 60 | W | 94.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114.1 | 170.9 | -62.6 | 98.9 | 0 | 0 | 0 | 109 | I58 L71 G72 W73 S133 F136 F138 P145 R168 G188 V189 E191 | I58-W60 HydrophobicContact CD1-CZ2 4.36Å; I58-W60 HydrophobicContact CG2-CD2 4.13Å; I58-W60 HydrophobicContact CG2-CG 4.45Å; I58-W60 HydrophobicContact CG2-CH2 4.37Å; I58-W60 HydrophobicContact CG2-CZ2 3.7Å; W60-L71 HydrophobicContact CB-CB 4.1Å; W60-L71 HydrophobicContact CB-CD1 4.41Å; W60-L71 HydrophobicContact CB-CD2 4.08Å; W60-L71 HydrophobicContact CB-CG 4.44Å; W60-G72 CarbonylContact C-O 3.53Å; W60-G72 WeakPolarHBondContact CA-O 3.46Å; W60-W73 HydrophobicContact CH2-CE3 4.27Å; W60-S133 VanDerWaalsContact CH2-O 3.24Å; W60-S133 WeakPolarHBondContact CH2-O 3.35Å; W60-F136 HydrophobicContact CH2-CB 4.14Å; W60-F136 HydrophobicContact CZ3-CB 4.35Å; W60-F136 WeakPolarHBondContact CZ3-O 3.14Å; W60-F138 HydrophobicContact CD2-CD2 4.2Å; W60-F138 HydrophobicContact CD2-CE2 4.27Å; W60-F138 AromaticContact CE3-CD2 3.97Å; W60-F138 HydrophobicContact CE3-CD2 3.97Å; W60-F138 HydrophobicContact CE3-CE2 4.1Å; W60-F138 HydrophobicContact CH2-CD2 4.38Å; W60-F138 AromaticContact CH2-CE2 3.69Å; W60-F138 HydrophobicContact CH2-CE2 3.69Å; W60-F138 AromaticContact CZ2-CE2 3.85Å; W60-F138 HydrophobicContact CZ2-CE2 3.85Å; W60-F138 HydrophobicContact CZ3-CD2 4.06Å; W60-F138 AromaticContact CZ3-CE2 3.8Å; W60-F138 HydrophobicContact CZ3-CE2 3.8Å; W60-P145 HydrophobicContact CB-CB 4.36Å; W60-P145 HydrophobicContact CD2-CB 4.37Å; W60-P145 HydrophobicContact CD2-CG 4.14Å; W60-P145 HydrophobicContact CG-CB 3.89Å; W60-P145 HydrophobicContact CG-CG 3.99Å; W60-R168 VanDerWaalsContact CZ2-NH2 3.33Å; W60-G188 CarbonylContact O-C 3.49Å; W60-G188 WeakPolarHBondContact O-CA 3.29Å; W60-V189 HydrophobicContact CB-CB 4.37Å; W60-V189 WeakPolarHBondContact CB-O 3.47Å; W60-V189 PolarHBondContact N-O 2.83Å; W60-V189 PolarHBondContact O-N 3.21Å; W60-E191 PolarHBondContact NE1-OE2 2.9Å |
| 61 | Q | 92.3 | Very high | 85 | Confident | 50 Ų | 50 | 40.6 Ų | 40.6 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.9 | -178.1 | -172.4 | 178.1 | -48.9 | 0 | 0 | 110.1 | F59 L71 G72 | F59-Q61 HydrophobicContact CD1-CB 4.31Å; F59-Q61 HydrophobicContact CE1-CB 3.86Å; F59-Q61 HydrophobicContact CE1-CG 4.15Å; Q61-L71 WeakPolarHBondContact O-CA 3.42Å; Q61-G72 PolarHBondContact N-O 3.09Å; Q61-G72 PolarHBondContact O-N 3.4Å |
| 62 | E | 89.7 | Confident | 86 | Confident | 76 Ų | 76 | 39 Ų | 39 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.7 | 172.2 | -173.7 | -179.7 | -168.2 | 0 | 0 | 110.2 | L71 L149 G187 | E62-L71 HydrophobicContact CB-CD2 4.03Å; E62-L149 HydrophobicContact CG-CD2 4.36Å; E62-G187 PolarHBondContact N-O 2.86Å |
| 63 | S | 86.1 | Confident | 86.9 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165 | 170.9 | 67.4 | 0 | 0 | 0 | 0 | 110 | H29 A69 V70 | H29-S63 PolarHBondContact CD2-OG 3.36Å; H29-S63 PolarHBondContact CE1-OG 3.35Å; H29-S63 VanDerWaalsContact NE2-CB 3.32Å; H29-S63 WeakPolarHBondContact NE2-CB 3.4Å; H29-S63 PolarHBondContact NE2-OG 3.2Å; S63-A69 WeakPolarHBondContact O-CA 3.47Å; S63-V70 PolarHBondContact N-O 2.93Å; S63-V70 PolarHBondContact O-N 3.48Å; S63-V70 VanDerWaalsContact OG-CG1 3.31Å; S63-V70 WeakPolarHBondContact OG-CG1 3.4Å; S63-V70 PolarHBondContact OG-O 3.4Å |
| 64 | C | 78.1 | Confident | 87 | Confident | 101 Ų | 101 | 37.3 Ų | 37.3 | 68% | 0.682 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 101.3 | 179.4 | -72 | 0 | 0 | 0 | 0 | 109.4 | ||
| 65 | A | 67 | Low | 86.8 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 37% | 0.372 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G67 R68 V70 | A65-G67 PolarHBondContact O-N 3.46Å; A65-R68 PolarHBondContact N-O 3.37Å; A65-R68 PolarHBondContact O-N 3.32Å; A65-R68 VanDerWaalsContact O-N 3.09Å; A65-V70 HydrophobicContact CB-CG1 3.71Å |
| 66 | G | 66.6 | Low | 86.7 | Confident | 85 Ų | 85 | 36.8 Ų | 36.8 | 88% | 0.876 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 27.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R68 | G66-R68 VanDerWaalsContact C-N 3.29Å; G66-R68 PolarHBondContact O-N 3.38Å |
| 67 | G | 68.7 | Low | 86.6 | Confident | 68 Ų | 68 | 38.1 Ų | 38.1 | 70% | 0.701 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 4.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A65 | A65-G67 PolarHBondContact O-N 3.46Š|
| 68 | R | 76.5 | Confident | 86.4 | Confident | 203 Ų | 203 | 39 Ų | 39 | 77% | 0.766 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137 | 172.7 | -66.1 | -174.8 | 179 | -171.9 | -1.6 | 110.2 | A65 G66 V70 | A65-R68 PolarHBondContact N-O 3.37Å; A65-R68 PolarHBondContact O-N 3.32Å; A65-R68 VanDerWaalsContact O-N 3.09Å; G66-R68 VanDerWaalsContact C-N 3.29Å; G66-R68 PolarHBondContact O-N 3.38Å; R68-V70 PolarHBondContact O-N 3.27Å |
| 69 | A | 83.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 127.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S63 E140 L149 | S63-A69 WeakPolarHBondContact O-CA 3.47Å; A69-E140 PolarHBondContact O-N 2.89Å; A69-L149 HydrophobicContact CB-CD2 4.49Å |
| 70 | V | 90.3 | Very high | 85.2 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.3 | 174.4 | 65.5 | 0 | 0 | 0 | 0 | 108.5 | H29 S63 A65 R68 | H29-V70 HydrophobicContact CB-CG1 4.37Å; S63-V70 PolarHBondContact N-O 2.93Å; S63-V70 PolarHBondContact O-N 3.48Å; S63-V70 VanDerWaalsContact OG-CG1 3.31Å; S63-V70 WeakPolarHBondContact OG-CG1 3.4Å; S63-V70 PolarHBondContact OG-O 3.4Å; A65-V70 HydrophobicContact CB-CG1 3.71Å; R68-V70 PolarHBondContact O-N 3.27Å |
| 71 | L | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.7 | 174.5 | -71.3 | 169.8 | 0 | 0 | 0 | 109.2 | W60 Q61 E62 S137 F138 P145 L149 V189 | W60-L71 HydrophobicContact CB-CB 4.1Å; W60-L71 HydrophobicContact CB-CD1 4.41Å; W60-L71 HydrophobicContact CB-CD2 4.08Å; W60-L71 HydrophobicContact CB-CG 4.44Å; Q61-L71 WeakPolarHBondContact O-CA 3.42Å; E62-L71 HydrophobicContact CB-CD2 4.03Å; L71-S137 CarbonylContact O-C 3.6Å; L71-S137 WeakPolarHBondContact O-CA 3.27Å; L71-S137 WeakPolarHBondContact O-CB 3.3Å; L71-F138 HydrophobicContact CB-CB 4.17Å; L71-F138 WeakPolarHBondContact CB-O 3.37Å; L71-F138 PolarHBondContact N-O 3.3Å; L71-F138 PolarHBondContact O-N 2.85Å; L71-P145 HydrophobicContact CD1-CB 3.54Å; L71-P145 WeakPolarHBondContact CD1-O 3.33Å; L71-L149 HydrophobicContact CD1-CB 4.1Å; L71-L149 HydrophobicContact CD1-CD2 4.06Å; L71-L149 HydrophobicContact CD2-CD2 4.07Å; L71-L149 HydrophobicContact CG-CD2 3.91Å; L71-V189 HydrophobicContact CD1-CB 4.34Å; L71-V189 HydrophobicContact CD1-CG2 3.83Å; L71-V189 HydrophobicContact CD2-CG2 4.31Å |
| 72 | G | 91.4 | Very high | 82.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 171.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W60 Q61 G74 | W60-G72 CarbonylContact C-O 3.53Å; W60-G72 WeakPolarHBondContact CA-O 3.46Å; Q61-G72 PolarHBondContact N-O 3.09Å; Q61-G72 PolarHBondContact O-N 3.4Å; G72-G74 PolarHBondContact O-N 2.88Å |
| 73 | W | 91.1 | Very high | 80.5 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 120.9 | 170.5 | 178.5 | -87.8 | 0 | 0 | 0 | 110.3 | I58 W60 F130 M134 | I58-W73 HydrophobicContact CB-CZ3 4.22Å; I58-W73 HydrophobicContact CD1-CH2 4.27Å; I58-W73 HydrophobicContact CD1-CZ3 3.75Å; I58-W73 HydrophobicContact CG1-CH2 3.81Å; I58-W73 HydrophobicContact CG1-CZ3 3.64Å; I58-W73 HydrophobicContact CG2-CE3 3.74Å; I58-W73 HydrophobicContact CG2-CH2 4.14Å; I58-W73 HydrophobicContact CG2-CZ3 3.51Å; W60-W73 HydrophobicContact CH2-CE3 4.27Å; W73-F130 HydrophobicContact CH2-CD2 4.11Å; W73-F130 HydrophobicContact CH2-CE1 4.12Å; W73-F130 AromaticContact CH2-CE2 3.6Å; W73-F130 HydrophobicContact CH2-CE2 3.6Å; W73-F130 AromaticContact CH2-CZ 3.59Å; W73-F130 HydrophobicContact CH2-CZ 3.59Å; W73-F130 HydrophobicContact CZ2-CE1 4.43Å; W73-F130 HydrophobicContact CZ2-CE2 4.3Å; W73-F130 AromaticContact CZ2-CZ 3.9Å; W73-F130 HydrophobicContact CZ2-CZ 3.9Å; W73-M134 HydrophobicContact CD2-CB 4.19Å; W73-M134 HydrophobicContact CD2-CG 3.66Å; W73-M134 HydrophobicContact CE3-CB 4.25Å; W73-M134 HydrophobicContact CE3-CG 3.79Å; W73-M134 HydrophobicContact CG-CB 4.43Å; W73-M134 HydrophobicContact CG-CG 4.25Å; W73-M134 HydrophobicContact CH2-CG 3.89Å; W73-M134 HydrophobicContact CZ2-CG 3.81Å; W73-M134 HydrophobicContact CZ3-CG 3.89Å |
| 74 | G | 90 | Very high | 79 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -64.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P33 F59 G72 | P33-G74 WeakPolarHBondContact CB-O 3.5Å; F59-G74 VanDerWaalsContact O-CA 3.27Å; F59-G74 WeakPolarHBondContact O-CA 3.4Å; F59-G74 PolarHBondContact O-N 3.02Å; G72-G74 PolarHBondContact O-N 2.88Å |
| 75 | D | 90.5 | Very high | 78.2 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 168.2 | -179.3 | -149.4 | -5.7 | 0 | 0 | 0 | 111.2 | L40 Q41 L44 I58 F59 | L40-D75 HydrophobicContact CD2-CB 3.64Å; L40-D75 HydrophobicContact CG-CB 4.08Å; Q41-D75 WeakPolarHBondContact CB-OD2 3.26Å; Q41-D75 PolarHBondContact N-OD2 3.16Å; Q41-D75 PolarHBondContact OE1-OD1 2.88Å; Q41-D75 PolarHBondContact OE1-OD2 3.39Å; L44-D75 HydrophobicContact CD1-CB 3.87Å; I58-D75 CarbonylContact C-O 3.5Å; I58-D75 WeakPolarHBondContact CA-O 3.45Å; F59-D75 PolarHBondContact N-O 2.84Å; F59-D75 PolarHBondContact O-N 3.01Å |
| 76 | G | 92 | Very high | 77.7 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 149.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q41 G57 F130 | Q41-G76 PolarHBondContact NE2-O 2.94Å; Q41-G76 PolarHBondContact OE1-O 3.23Å; G57-G76 CarbonylContact O-C 3.48Å; G57-G76 VanDerWaalsContact O-CA 3.26Å; G57-G76 WeakPolarHBondContact O-CA 3.48Å; G76-F130 VanDerWaalsContact C-CZ 3.47Å |
| 77 | H | 92.5 | Very high | 77.3 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.3 | 168.1 | -174.8 | 75.7 | 0 | 0 | 0 | 110 | L44 E49 Y56 G57 | L44-H77 HydrophobicContact CB-CB 4.13Å; E49-H77 IonicContact OE1-CD2 3.78Å; E49-H77 IonicContact OE1-CE1 2.7Å; E49-H77 IonicContact OE1-NE2 3.5Å; E49-H77 PolarHBondContact OE1-NE2 2.91Å; Y56-H77 CarbonylContact C-O 3.56Å; Y56-H77 WeakPolarHBondContact CA-O 3.3Å; Y56-H77 WeakPolarHBondContact CB-O 3.27Å; G57-H77 PolarHBondContact N-O 3.43Å; G57-H77 PolarHBondContact O-N 3.28Å |
| 78 | C | 91.8 | Very high | 77.4 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 13% | 0.128 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.4 | 173 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | F130 | C78-F130 HydrophobicContact CB-CB 4.12Å; C78-F130 HydrophobicContact CB-CD1 3.93Å; C78-F130 HydrophobicContact CB-CD2 3.75Å; C78-F130 HydrophobicContact CB-CE1 4.25Å; C78-F130 HydrophobicContact CB-CE2 4.07Å; C78-F130 HydrophobicContact CB-CG 3.66Å; C78-F130 HydrophobicContact CB-CZ 4.32Å |
| 79 | R | 88.5 | Confident | 77.5 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 28% | 0.275 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 139.1 | 171.1 | -171.9 | -179 | -69.7 | 160.8 | 1 | 109.1 | V48 E49 G52 W54 T55 G81 | V48-R79 HydrophobicContact CG1-CB 4.08Å; V48-R79 PolarHBondContact O-NH2 3.37Å; E49-R79 IonicContact OE2-NE 3.14Å; G52-R79 PolarHBondContact O-NH1 3.14Å; G52-R79 PolarHBondContact O-NH2 3.23Å; G52-R79 VanDerWaalsContact O-NH2 3.15Å; W54-R79 PolarHBondContact O-NH1 3.36Å; W54-R79 PolarHBondContact O-NH2 3.17Å; T55-R79 VanDerWaalsContact O-CB 3.29Å; T55-R79 WeakPolarHBondContact O-CB 3.22Å; T55-R79 PolarHBondContact O-N 3.22Å; R79-G81 PolarHBondContact O-N 3.04Å |
| 80 | D | 74.7 | Confident | 77.5 | Confident | 130 Ų | 130 | 61.5 Ų | 61.5 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 132.7 | 174.4 | -69.3 | -27.3 | 0 | 0 | 0 | 110.6 | ||
| 81 | G | 63.9 | Low | 77.4 | Confident | 44 Ų | 44 | 66 Ų | 66 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 148.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R79 | R79-G81 PolarHBondContact O-N 3.04Š|
| 82 | G | 60.7 | Low | 77.2 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 71% | 0.711 | 38% | 0.382 | S | S | * | . | trans | -69.8 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 83 | A | 54.1 | Low | 77 | Confident | 96 Ų | 96 | 71 Ų | 71 | 79% | 0.793 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -55.4 | 136.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 84 | P | 55.3 | Low | 77.1 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 60% | 0.597 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 153.7 | -169.7 | 27.6 | -35 | 0 | 0 | 0 | 113.8 | ||
| 85 | H | 59.6 | Low | 77.2 | Confident | 141 Ų | 141 | 71.5 Ų | 71.5 | 65% | 0.653 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 150.5 | 164.8 | -71.6 | -75.9 | 0 | 0 | 0 | 111 | D87 D88 | H85-D87 VanDerWaalsContact C-N 3.26Å; H85-D87 PolarHBondContact O-N 3.34Å; H85-D88 PolarHBondContact N-OD2 3.05Å; H85-D88 WeakPolarHBondContact O-CB 3.29Å; H85-D88 PolarHBondContact O-N 3.2Å; H85-D88 VanDerWaalsContact O-N 3.12Å |
| 86 | H | 56.9 | Low | 77.1 | Confident | 181 Ų | 181 | 73.2 Ų | 73.2 | 84% | 0.838 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.9 | -175.7 | -158.9 | -84.9 | 0 | 0 | 0 | 112.8 | D88 | H86-D88 PolarHBondContact O-N 3.42Š|
| 87 | D | 59.5 | Low | 77.1 | Confident | 116 Ų | 116 | 79.4 Ų | 79.4 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.4 | 179.3 | -63.6 | -21.7 | 0 | 0 | 0 | 114 | H85 A89 R91 | H85-D87 VanDerWaalsContact C-N 3.26Å; H85-D87 PolarHBondContact O-N 3.34Å; D87-A89 VanDerWaalsContact C-N 3.33Å; D87-A89 PolarHBondContact O-N 2.79Å; D87-R91 VanDerWaalsContact C-NH2 3.31Å; D87-R91 VanDerWaalsContact CB-NH2 3.3Å; D87-R91 PolarHBondContact O-NH1 2.88Å; D87-R91 PolarHBondContact O-NH2 3.26Å |
| 88 | D | 70.7 | Confident | 77 | Confident | 34 Ų | 34 | 78 Ų | 78 | 18% | 0.182 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -81.8 | -5.6 | -176.8 | -76.6 | -40.3 | 0 | 0 | 0 | 114.5 | H85 H86 R91 S92 R95 | H85-D88 PolarHBondContact N-OD2 3.05Å; H85-D88 WeakPolarHBondContact O-CB 3.29Å; H85-D88 PolarHBondContact O-N 3.2Å; H85-D88 VanDerWaalsContact O-N 3.12Å; H86-D88 PolarHBondContact O-N 3.42Å; D88-R91 IonicContact OD1-CZ 3.95Å; D88-R91 IonicContact OD1-NE 2.79Å; D88-R91 PolarHBondContact OD1-NE 2.87Å; D88-R91 VanDerWaalsContact OD1-NE 3.08Å; D88-R91 IonicContact OD1-NH2 2.7Å; D88-R91 PolarHBondContact OD1-NH2 2.82Å; D88-S92 WeakPolarHBondContact O-CA 3.3Å; D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.4Å; D88-R95 IonicContact OD1-NH1 3.19Å |
| 89 | A | 78.5 | Confident | 77 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.2 | -57 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D87 R91 S92 V93 | D87-A89 VanDerWaalsContact C-N 3.33Å; D87-A89 PolarHBondContact O-N 2.79Å; A89-R91 PolarHBondContact O-N 2.93Å; A89-S92 WeakPolarHBondContact O-CB 3.31Å; A89-S92 PolarHBondContact O-N 3.41Å; A89-V93 WeakPolarHBondContact O-CG2 3.44Å; A89-V93 PolarHBondContact O-N 2.77Å |
| 90 | D | 82 | Confident | 77 | Confident | 139 Ų | 139 | 76.8 Ų | 76.8 | 74% | 0.743 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | -178.6 | -67.4 | -23.1 | 0 | 0 | 0 | 111.8 | S92 V93 A94 | D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 PolarHBondContact O-N 2.87Å; D90-V93 PolarHBondContact O-N 3.46Å; D90-A94 PolarHBondContact O-N 3.1Å |
| 91 | R | 88.2 | Confident | 77.8 | Confident | 111 Ų | 111 | 75 Ų | 75 | 42% | 0.419 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 174.8 | -68.2 | -170.8 | -69.5 | -97.4 | 5.8 | 111.6 | D87 D88 A89 A94 R95 | D87-R91 VanDerWaalsContact C-NH2 3.31Å; D87-R91 VanDerWaalsContact CB-NH2 3.3Å; D87-R91 PolarHBondContact O-NH1 2.88Å; D87-R91 PolarHBondContact O-NH2 3.26Å; D88-R91 IonicContact OD1-CZ 3.95Å; D88-R91 IonicContact OD1-NE 2.79Å; D88-R91 PolarHBondContact OD1-NE 2.87Å; D88-R91 VanDerWaalsContact OD1-NE 3.08Å; D88-R91 IonicContact OD1-NH2 2.7Å; D88-R91 PolarHBondContact OD1-NH2 2.82Å; A89-R91 PolarHBondContact O-N 2.93Å; R91-A94 PolarHBondContact O-N 2.78Å; R91-R95 WeakPolarHBondContact O-CB 3.41Å; R91-R95 WeakPolarHBondContact O-CG 2.8Å; R91-R95 PolarHBondContact O-N 3.2Å |
| 92 | S | 88.7 | Confident | 79 | Confident | 7 Ų | 7 | 73 Ų | 73 | 5% | 0.049 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.3 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | D88 A89 D90 R95 K96 R122 V123 | D88-S92 WeakPolarHBondContact O-CA 3.3Å; D88-S92 WeakPolarHBondContact O-CB 3.46Å; D88-S92 PolarHBondContact O-N 3.4Å; A89-S92 WeakPolarHBondContact O-CB 3.31Å; A89-S92 PolarHBondContact O-N 3.41Å; D90-S92 VanDerWaalsContact C-N 3.33Å; D90-S92 PolarHBondContact O-N 2.87Å; S92-R95 PolarHBondContact O-N 3.42Å; S92-K96 WeakPolarHBondContact O-CB 3.47Å; S92-K96 PolarHBondContact O-N 3.15Å; S92-R122 VanDerWaalsContact OG-CA 3.23Å; S92-R122 WeakPolarHBondContact OG-CA 3.32Å; S92-V123 PolarHBondContact OG-N 3.22Å |
| 93 | V | 88.9 | Confident | 80.2 | Confident | 101 Ų | 101 | 71.7 Ų | 71.7 | 61% | 0.612 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -45 | 175.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | A89 D90 K96 R97 | A89-V93 WeakPolarHBondContact O-CG2 3.44Å; A89-V93 PolarHBondContact O-N 2.77Å; D90-V93 PolarHBondContact O-N 3.46Å; V93-K96 PolarHBondContact O-N 2.84Å; V93-R97 WeakPolarHBondContact O-CB 3.22Å; V93-R97 PolarHBondContact O-N 3.29Å |
| 94 | A | 91.4 | Very high | 81.6 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 28% | 0.281 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V14 D90 R91 R97 A98 | V14-A94 HydrophobicContact CG2-CB 4.06Å; D90-A94 PolarHBondContact O-N 3.1Å; R91-A94 PolarHBondContact O-N 2.78Å; A94-R97 PolarHBondContact O-N 2.84Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.2Å |
| 95 | R | 92.1 | Very high | 83.1 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 175.1 | -73.2 | 168.2 | -169.8 | 140.1 | 2.9 | 111.9 | V14 D88 R91 S92 R97 A98 L99 V123 M128 | V14-R95 HydrophobicContact CG1-CG 3.98Å; D88-R95 IonicContact OD1-NH1 3.19Å; R91-R95 WeakPolarHBondContact O-CB 3.41Å; R91-R95 WeakPolarHBondContact O-CG 2.8Å; R91-R95 PolarHBondContact O-N 3.2Å; S92-R95 PolarHBondContact O-N 3.42Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R95-R97 PolarHBondContact O-N 2.77Å; R95-A98 PolarHBondContact O-N 2.95Å; R95-L99 PolarHBondContact O-N 3.32Å; R95-V123 HydrophobicContact CB-CB 4.03Å; R95-V123 HydrophobicContact CB-CG1 4.09Å; R95-V123 VanDerWaalsContact CD-O 3.26Å; R95-V123 WeakPolarHBondContact CD-O 3.47Å; R95-V123 PolarHBondContact NH1-O 3.16Å; R95-M128 HydrophobicContact CB-CB 4.39Å; R95-M128 HydrophobicContact CB-CG 4.19Å; R95-M128 HydrophobicContact CB-SD 3.56Å; R95-M128 VanDerWaalsContact CB-SD 3.56Å; R95-M128 HydrophobicContact CG-CB 3.98Å; R95-M128 HydrophobicContact CG-CG 3.79Å; R95-M128 HydrophobicContact CG-SD 3.82Å |
| 96 | K | 89.3 | Confident | 84.2 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -47.3 | 176.4 | -172.9 | 167.3 | -174.8 | 162 | 0 | 110.6 | S92 V93 A98 L99 L100 L118 L120 V123 | S92-K96 WeakPolarHBondContact O-CB 3.47Å; S92-K96 PolarHBondContact O-N 3.15Å; V93-K96 PolarHBondContact O-N 2.84Å; K96-A98 VanDerWaalsContact C-N 3.34Å; K96-A98 PolarHBondContact O-N 3.4Å; K96-L99 PolarHBondContact O-N 2.75Å; K96-L100 HydrophobicContact CG-CD1 4.22Å; K96-L100 VanDerWaalsContact O-CG 3.24Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 2.9Å; K96-L118 PolarHBondContact NZ-O 3.13Å; K96-L118 VanDerWaalsContact NZ-O 3.13Å; K96-L120 PolarHBondContact NZ-O 3.26Å; K96-V123 HydrophobicContact CB-CG2 4.1Å |
| 97 | R | 91.1 | Very high | 84.8 | Confident | 136 Ų | 136 | 55 Ų | 55 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 175.9 | -171.1 | -177.8 | 175.3 | 174.3 | -1.9 | 111.7 | L10 V93 A94 R95 L100 R101 | L10-R97 HydrophobicContact CD2-CB 4.36Å; L10-R97 HydrophobicContact CD2-CG 3.81Å; V93-R97 WeakPolarHBondContact O-CB 3.22Å; V93-R97 PolarHBondContact O-N 3.29Å; A94-R97 PolarHBondContact O-N 2.84Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R95-R97 PolarHBondContact O-N 2.77Å; R97-L100 PolarHBondContact O-N 2.85Å; R97-R101 VanDerWaalsContact O-CG 3.3Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.95Å |
| 98 | A | 92.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L10 F11 V14 A94 R95 K96 L100 R101 L102 M128 | L10-A98 HydrophobicContact CD2-CB 4.34Å; L10-A98 HydrophobicContact CG-CB 4.21Å; F11-A98 HydrophobicContact CD1-CB 4.19Å; F11-A98 HydrophobicContact CE1-CB 4.27Å; F11-A98 WeakPolarHBondContact CE1-O 3.38Å; V14-A98 HydrophobicContact CB-CB 4.17Å; V14-A98 HydrophobicContact CG1-CB 4.09Å; V14-A98 HydrophobicContact CG2-CB 4.17Å; A94-A98 WeakPolarHBondContact O-CB 3.29Å; A94-A98 PolarHBondContact O-N 3.2Å; R95-A98 PolarHBondContact O-N 2.95Å; K96-A98 VanDerWaalsContact C-N 3.34Å; K96-A98 PolarHBondContact O-N 3.4Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.31Å; A98-R101 PolarHBondContact O-N 3.22Å; A98-L102 WeakPolarHBondContact O-CG 3.24Å; A98-L102 PolarHBondContact O-N 2.87Å; A98-M128 HydrophobicContact CB-CE 3.88Å |
| 99 | L | 91.1 | Very high | 83.8 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 176.7 | -71 | 172.2 | 0 | 0 | 0 | 112.3 | R95 K96 R101 L102 H103 A117 V123 M128 L131 A132 | R95-L99 PolarHBondContact O-N 3.32Å; K96-L99 PolarHBondContact O-N 2.75Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.36Å; L99-L102 PolarHBondContact O-N 3.08Å; L99-H103 WeakPolarHBondContact O-CB 3.47Å; L99-H103 PolarHBondContact O-N 2.71Å; L99-A117 HydrophobicContact CB-CB 4.23Å; L99-A117 HydrophobicContact CD1-CB 4.05Å; L99-V123 HydrophobicContact CD1-CG1 3.96Å; L99-V123 HydrophobicContact CD1-CG2 4.36Å; L99-M128 HydrophobicContact CD1-SD 3.9Å; L99-M128 HydrophobicContact CD2-CE 3.92Å; L99-M128 HydrophobicContact CD2-SD 4Å; L99-M128 HydrophobicContact CG-CE 3.91Å; L99-M128 HydrophobicContact CG-SD 3.63Å; L99-L131 HydrophobicContact CD1-CB 3.99Å; L99-L131 HydrophobicContact CD1-CD1 3.79Å; L99-L131 HydrophobicContact CD2-CB 3.71Å; L99-A132 HydrophobicContact CD2-CB 4.39Å |
| 100 | L | 88.7 | Confident | 82.4 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 34% | 0.34 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.2 | -67 | 175.2 | 0 | 0 | 0 | 112.4 | K96 R97 A98 A104 L118 | K96-L100 HydrophobicContact CG-CD1 4.22Å; K96-L100 VanDerWaalsContact O-CG 3.24Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 2.9Å; R97-L100 PolarHBondContact O-N 2.85Å; A98-L100 VanDerWaalsContact C-N 3.34Å; A98-L100 PolarHBondContact O-N 3.31Å; L100-A104 WeakPolarHBondContact O-CB 3.5Å; L100-A104 PolarHBondContact O-N 3.25Å; L100-L118 HydrophobicContact CD2-CD2 3.19Å; L100-L118 HydrophobicContact CD2-CG 3.73Å |
| 101 | R | 90.3 | Very high | 81 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 35% | 0.351 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.4 | -40.2 | 176.4 | -64.8 | -57.5 | -66.3 | 162.1 | 1.4 | 112 | D7 L10 F11 R97 A98 L99 H103 A104 L105 | D7-R101 IonicContact OD1-CZ 3.42Å; D7-R101 IonicContact OD1-NE 3.08Å; D7-R101 PolarHBondContact OD1-NE 2.99Å; D7-R101 IonicContact OD1-NH2 3.1Å; D7-R101 PolarHBondContact OD1-NH2 3.37Å; D7-R101 IonicContact OD2-CZ 3.26Å; D7-R101 IonicContact OD2-NE 3.78Å; D7-R101 IonicContact OD2-NH2 3.79Å; D7-R101 PolarHBondContact OD2-NH2 3.07Å; L10-R101 HydrophobicContact CD2-CG 4.13Å; F11-R101 HydrophobicContact CE1-CB 3.9Å; F11-R101 HydrophobicContact CZ-CB 3.68Å; R97-R101 VanDerWaalsContact O-CG 3.3Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.95Å; A98-R101 PolarHBondContact O-N 3.22Å; L99-R101 VanDerWaalsContact C-N 3.32Å; L99-R101 PolarHBondContact O-N 3.36Å; R101-H103 VanDerWaalsContact C-N 3.33Å; R101-H103 PolarHBondContact O-N 3.32Å; R101-A104 PolarHBondContact O-N 3.07Å; R101-L105 WeakPolarHBondContact O-CB 3.47Å; R101-L105 VanDerWaalsContact O-CG 3.24Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.32Å |
| 102 | L | 89.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 172.5 | -72.2 | 173.8 | 0 | 0 | 0 | 110.9 | F11 L15 L23 A98 L99 L105 Y106 A132 Y135 | F11-L102 HydrophobicContact CD1-CD2 4.24Å; F11-L102 HydrophobicContact CD1-CG 4.29Å; F11-L102 HydrophobicContact CE1-CD2 3.78Å; F11-L102 HydrophobicContact CE1-CG 3.64Å; F11-L102 HydrophobicContact CE2-CD2 4.1Å; F11-L102 HydrophobicContact CZ-CD2 3.69Å; F11-L102 HydrophobicContact CZ-CG 3.91Å; L15-L102 HydrophobicContact CD1-CD1 4.34Å; L23-L102 HydrophobicContact CD1-CD2 3.86Å; A98-L102 WeakPolarHBondContact O-CG 3.24Å; A98-L102 PolarHBondContact O-N 2.87Å; L99-L102 PolarHBondContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.12Å; L102-Y106 HydrophobicContact CD2-CD2 4.15Å; L102-Y106 HydrophobicContact CD2-CE2 3.94Å; L102-Y106 WeakPolarHBondContact O-CB 3.41Å; L102-Y106 WeakPolarHBondContact O-CD2 3.47Å; L102-Y106 PolarHBondContact O-N 3.36Å; L102-A132 HydrophobicContact CD1-CB 4.42Å; L102-Y135 HydrophobicContact CB-CD1 4.44Å; L102-Y135 HydrophobicContact CB-CD2 3.86Å; L102-Y135 HydrophobicContact CB-CE1 4.46Å; L102-Y135 HydrophobicContact CB-CE2 3.91Å; L102-Y135 HydrophobicContact CB-CG 4.13Å; L102-Y135 HydrophobicContact CD1-CD2 3.89Å; L102-Y135 HydrophobicContact CD1-CE2 4.38Å; L102-Y135 HydrophobicContact CG-CD2 4.44Å |
| 103 | H | 85.2 | Confident | 77.5 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.6 | -170.7 | 68.5 | 0 | 0 | 0 | 112 | L99 R101 L105 Y106 G107 A114 Y135 | L99-H103 WeakPolarHBondContact O-CB 3.47Å; L99-H103 PolarHBondContact O-N 2.71Å; R101-H103 VanDerWaalsContact C-N 3.33Å; R101-H103 PolarHBondContact O-N 3.32Å; H103-L105 PolarHBondContact O-N 3.39Å; H103-Y106 PolarHBondContact O-N 3.27Å; H103-G107 WeakPolarHBondContact O-CA 3.37Å; H103-G107 PolarHBondContact O-N 3.34Å; H103-A114 WeakPolarHBondContact CE1-CB 3.11Å; H103-A114 WeakPolarHBondContact NE2-CB 3.41Å; H103-Y135 WeakPolarHBondContact CB-OH 3.41Å; H103-Y135 PolarHBondContact ND1-OH 2.62Å |
| 104 | A | 84.9 | Confident | 75.7 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 56% | 0.562 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -27.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L100 R101 | L100-A104 WeakPolarHBondContact O-CB 3.5Å; L100-A104 PolarHBondContact O-N 3.25Å; R101-A104 PolarHBondContact O-N 3.07Å |
| 105 | L | 85 | Confident | 74 | Confident | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -87.7 | -35.2 | -179.9 | -70.7 | 169.1 | 0 | 0 | 0 | 113.3 | M1 F11 R101 L102 H103 | M1-L105 WeakPolarHBondContact CE-O 3.42Å; F11-L105 HydrophobicContact CE2-CD1 3.72Å; F11-L105 HydrophobicContact CZ-CD1 3.89Å; R101-L105 WeakPolarHBondContact O-CB 3.47Å; R101-L105 VanDerWaalsContact O-CG 3.24Å; R101-L105 WeakPolarHBondContact O-CG 3.44Å; R101-L105 PolarHBondContact O-N 3.32Å; L102-L105 PolarHBondContact O-N 3.12Å; H103-L105 PolarHBondContact O-N 3.39Å |
| 106 | Y | 83.4 | Confident | 72.4 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -126.2 | -16.1 | -168.4 | -60.5 | -65 | 0 | 0 | 0 | 114.6 | W3 L23 P28 Q30 L102 H103 G108 Y135 | W3-Y106 HydrophobicContact CZ2-CE2 4.42Å; W3-Y106 WeakPolarHBondContact CZ2-OH 3.21Å; W3-Y106 AromaticContact NE1-CZ 3.94Å; W3-Y106 PolarHBondContact NE1-OH 3.04Å; W3-Y106 VanDerWaalsContact NE1-OH 3.09Å; L23-Y106 PolarHBondContact O-OH 2.92Å; P28-Y106 HydrophobicContact CG-CD1 3.3Å; P28-Y106 HydrophobicContact CG-CD2 4.47Å; P28-Y106 HydrophobicContact CG-CE1 4Å; P28-Y106 HydrophobicContact CG-CG 3.57Å; Q30-Y106 PolarHBondContact NE2-O 3.22Å; L102-Y106 HydrophobicContact CD2-CD2 4.15Å; L102-Y106 HydrophobicContact CD2-CE2 3.94Å; L102-Y106 WeakPolarHBondContact O-CB 3.41Å; L102-Y106 WeakPolarHBondContact O-CD2 3.47Å; L102-Y106 PolarHBondContact O-N 3.36Å; H103-Y106 PolarHBondContact O-N 3.27Å; Y106-G108 PolarHBondContact O-N 2.86Å; Y106-Y135 HydrophobicContact CD2-CD1 4.35Å; Y106-Y135 HydrophobicContact CG-CD1 4.46Å |
| 107 | G | 70.4 | Confident | 71 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | trans | -76.9 | 98.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | H103 G109 | H103-G107 WeakPolarHBondContact O-CA 3.37Å; H103-G107 PolarHBondContact O-N 3.34Å; G107-G109 PolarHBondContact O-N 2.59Å | ||
| 108 | G | 56.9 | Low | 69.7 | Low | 67 Ų | 67 | 60.2 Ų | 60.2 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | trans | -91.8 | 73.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y106 | Y106-G108 PolarHBondContact O-N 2.86Š| ||
| 109 | G | 52.2 | Low | 68.5 | Low | 40 Ų | 40 | 67.4 Ų | 67.4 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 145.7 | 160.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G107 D111 | G107-G109 PolarHBondContact O-N 2.59Å; G109-D111 PolarHBondContact O-N 3.26Å |
| 110 | D | 48.1 | Very low | 67.5 | Low | 177 Ų | 177 | 68.9 Ų | 68.9 | 95% | 0.947 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -66.8 | 24.8 | 172.4 | -60.5 | -38.3 | 0 | 0 | 0 | 112.6 | E112 | D110-E112 PolarHBondContact O-N 2.81Š|
| 111 | D | 52.8 | Low | 66.7 | Low | 123 Ų | 123 | 73 Ų | 73 | 66% | 0.658 | 41% | 0.41 | S | S | * | . | trans | -64 | 133.3 | -173.1 | -99.2 | -23.7 | 0 | 0 | 0 | 110.6 | G109 G113 A114 | G109-D111 PolarHBondContact O-N 3.26Å; D111-G113 PolarHBondContact O-N 3.41Å; D111-A114 WeakPolarHBondContact O-CB 3.34Å; D111-A114 PolarHBondContact O-N 3.04Å | ||
| 112 | E | 51.3 | Low | 66.2 | Low | 173 Ų | 173 | 75.1 Ų | 75.1 | 81% | 0.808 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -15.4 | 177.9 | -64.6 | -173.4 | 145.9 | 0 | 0 | 113.9 | D110 A114 D115 | D110-E112 PolarHBondContact O-N 2.81Å; E112-A114 VanDerWaalsContact C-N 3.3Å; E112-A114 PolarHBondContact O-N 3.46Å; E112-D115 WeakPolarHBondContact O-CB 3.43Å; E112-D115 PolarHBondContact O-N 2.91Å |
| 113 | G | 51.1 | Low | 66.1 | Low | 43 Ų | 43 | 75.2 Ų | 75.2 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -33.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D111 D115 Y116 | D111-G113 PolarHBondContact O-N 3.41Å; G113-D115 PolarHBondContact O-N 2.82Å; G113-Y116 PolarHBondContact O-N 3.17Å |
| 114 | A | 52.4 | Low | 66.2 | Low | 14 Ų | 14 | 75.2 Ų | 75.2 | 12% | 0.116 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.8 | -37.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | H103 D111 E112 Y116 A117 L118 | H103-A114 WeakPolarHBondContact CE1-CB 3.11Å; H103-A114 WeakPolarHBondContact NE2-CB 3.41Å; D111-A114 WeakPolarHBondContact O-CB 3.34Å; D111-A114 PolarHBondContact O-N 3.04Å; E112-A114 VanDerWaalsContact C-N 3.3Å; E112-A114 PolarHBondContact O-N 3.46Å; A114-Y116 PolarHBondContact O-N 3.19Å; A114-A117 PolarHBondContact O-N 3.22Å; A114-L118 HydrophobicContact CB-CD1 3.95Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 WeakPolarHBondContact O-CD1 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.17Å; A114-L118 PolarHBondContact O-N 3.43Å; A114-L118 VanDerWaalsContact O-N 3.15Å |
| 115 | D | 56.3 | Low | 66.5 | Low | 71 Ų | 71 | 72.8 Ų | 72.8 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -28.8 | -175.6 | -166 | 41 | 0 | 0 | 0 | 111.4 | E112 G113 R119 | E112-D115 WeakPolarHBondContact O-CB 3.43Å; E112-D115 PolarHBondContact O-N 2.91Å; G113-D115 PolarHBondContact O-N 2.82Å; D115-R119 WeakPolarHBondContact O-CB 3.37Å; D115-R119 WeakPolarHBondContact O-CD 3.06Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-N 3Å; D115-R119 PolarHBondContact O-NE 3.42Å; D115-R119 VanDerWaalsContact OD1-CD 3.23Å; D115-R119 WeakPolarHBondContact OD1-CD 3.3Å; D115-R119 VanDerWaalsContact OD1-CG 3.25Å; D115-R119 WeakPolarHBondContact OD1-CG 3.44Å; D115-R119 IonicContact OD1-NE 2.83Å; D115-R119 WeakPolarHBondContact OD2-CD 3.21Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.97Å; D115-R119 PolarHBondContact OD2-NE 3.13Å; D115-R119 IonicContact OD2-NH1 2.87Å; D115-R119 PolarHBondContact OD2-NH1 3.05Å; D115-R119 IonicContact OD2-NH2 3.86Å; D115-R119 PolarHBondContact OD2-NH2 3.22Å |
| 116 | Y | 58.5 | Low | 66.7 | Low | 99 Ų | 99 | 72.3 Ų | 72.3 | 39% | 0.388 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.4 | -55.3 | -178.3 | -164.6 | -91.8 | 0 | 0 | 0 | 112.4 | G113 A114 L118 R119 L120 L131 | G113-Y116 PolarHBondContact O-N 3.17Å; A114-Y116 PolarHBondContact O-N 3.19Å; Y116-L118 VanDerWaalsContact C-N 3.3Å; Y116-L118 PolarHBondContact O-N 2.91Å; Y116-R119 PolarHBondContact O-N 3.09Å; Y116-L120 HydrophobicContact CD1-CD1 4.03Å; Y116-L120 HydrophobicContact CE1-CD1 3.78Å; Y116-L120 HydrophobicContact CE1-CG 4.49Å; Y116-L120 WeakPolarHBondContact O-CG 3.47Å; Y116-L120 PolarHBondContact O-N 3.09Å; Y116-L131 HydrophobicContact CD1-CD1 4.09Å; Y116-L131 HydrophobicContact CD1-CD2 3.56Å; Y116-L131 HydrophobicContact CD1-CG 4.42Å; Y116-L131 HydrophobicContact CE1-CD1 4.29Å; Y116-L131 HydrophobicContact CE1-CD2 4Å |
| 117 | A | 58.7 | Low | 67 | Low | 11 Ų | 11 | 71.7 Ų | 71.7 | 9% | 0.091 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.6 | -32.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L99 A114 L131 | L99-A117 HydrophobicContact CB-CB 4.23Å; L99-A117 HydrophobicContact CD1-CB 4.05Å; A114-A117 PolarHBondContact O-N 3.22Å; A117-L131 HydrophobicContact CB-CD1 4.2Å |
| 118 | L | 63.6 | Low | 68.1 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.3 | -81.7 | 164 | 0 | 0 | 0 | 112.6 | K96 L100 A114 Y116 L120 | K96-L118 PolarHBondContact NZ-O 3.13Å; K96-L118 VanDerWaalsContact NZ-O 3.13Å; L100-L118 HydrophobicContact CD2-CD2 3.19Å; L100-L118 HydrophobicContact CD2-CG 3.73Å; A114-L118 HydrophobicContact CB-CD1 3.95Å; A114-L118 VanDerWaalsContact O-CB 3.31Å; A114-L118 WeakPolarHBondContact O-CB 3.48Å; A114-L118 WeakPolarHBondContact O-CD1 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.17Å; A114-L118 PolarHBondContact O-N 3.43Å; A114-L118 VanDerWaalsContact O-N 3.15Å; Y116-L118 VanDerWaalsContact C-N 3.3Å; Y116-L118 PolarHBondContact O-N 2.91Å; L118-L120 VanDerWaalsContact C-N 3.34Å |
| 119 | R | 67.2 | Low | 69.9 | Low | 151 Ų | 151 | 67.2 Ų | 67.2 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -74.7 | -18.9 | -178.7 | -74.5 | 179.5 | -58.4 | 176.7 | -7.3 | 114.6 | D115 Y116 D121 | D115-R119 WeakPolarHBondContact O-CB 3.37Å; D115-R119 WeakPolarHBondContact O-CD 3.06Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-N 3Å; D115-R119 PolarHBondContact O-NE 3.42Å; D115-R119 VanDerWaalsContact OD1-CD 3.23Å; D115-R119 WeakPolarHBondContact OD1-CD 3.3Å; D115-R119 VanDerWaalsContact OD1-CG 3.25Å; D115-R119 WeakPolarHBondContact OD1-CG 3.44Å; D115-R119 IonicContact OD1-NE 2.83Å; D115-R119 WeakPolarHBondContact OD2-CD 3.21Å; D115-R119 IonicContact OD2-CZ 3.58Å; D115-R119 IonicContact OD2-NE 3.97Å; D115-R119 PolarHBondContact OD2-NE 3.13Å; D115-R119 IonicContact OD2-NH1 2.87Å; D115-R119 PolarHBondContact OD2-NH1 3.05Å; D115-R119 IonicContact OD2-NH2 3.86Å; D115-R119 PolarHBondContact OD2-NH2 3.22Å; Y116-R119 PolarHBondContact O-N 3.09Å; R119-D121 PolarHBondContact O-N 3.32Å |
| 120 | L | 70.3 | Confident | 71.9 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | trans | -70.5 | 116.6 | 177.7 | -73.5 | 169.8 | 0 | 0 | 0 | 109.9 | K96 Y116 L118 R122 V123 L131 | K96-L120 PolarHBondContact NZ-O 3.26Å; Y116-L120 HydrophobicContact CD1-CD1 4.03Å; Y116-L120 HydrophobicContact CE1-CD1 3.78Å; Y116-L120 HydrophobicContact CE1-CG 4.49Å; Y116-L120 WeakPolarHBondContact O-CG 3.47Å; Y116-L120 PolarHBondContact O-N 3.09Å; L118-L120 VanDerWaalsContact C-N 3.34Å; L120-R122 PolarHBondContact O-N 3.42Å; L120-V123 HydrophobicContact CB-CG2 4.3Å; L120-L131 HydrophobicContact CD1-CD1 3.92Å | ||
| 121 | D | 71.9 | Confident | 74 | Confident | 151 Ų | 151 | 58.4 Ų | 58.4 | 81% | 0.807 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -63.1 | -35.7 | 172.4 | -73.3 | -31.8 | 0 | 0 | 0 | 111.2 | R119 | R119-D121 PolarHBondContact O-N 3.32Š|
| 122 | R | 80.2 | Confident | 75.9 | Confident | 138 Ų | 138 | 52.5 Ų | 52.5 | 52% | 0.521 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -134.4 | 145 | 177.6 | -65.1 | -178.2 | 176 | -126.2 | -0.9 | 110.1 | S92 L120 | S92-R122 VanDerWaalsContact OG-CA 3.23Å; S92-R122 WeakPolarHBondContact OG-CA 3.32Å; L120-R122 PolarHBondContact O-N 3.42Å |
| 123 | V | 87 | Confident | 77.9 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | trans | -117.5 | 110.5 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | S92 R95 K96 L99 L120 E127 M128 | S92-V123 PolarHBondContact OG-N 3.22Å; R95-V123 HydrophobicContact CB-CB 4.03Å; R95-V123 HydrophobicContact CB-CG1 4.09Å; R95-V123 VanDerWaalsContact CD-O 3.26Å; R95-V123 WeakPolarHBondContact CD-O 3.47Å; R95-V123 PolarHBondContact NH1-O 3.16Å; K96-V123 HydrophobicContact CB-CG2 4.1Å; L99-V123 HydrophobicContact CD1-CG1 3.96Å; L99-V123 HydrophobicContact CD1-CG2 4.36Å; L120-V123 HydrophobicContact CB-CG2 4.3Å; V123-E127 HydrophobicContact CG1-CB 4.07Å; V123-M128 HydrophobicContact CG1-CB 4.12Å | ||
| 124 | T | 88.2 | Confident | 79.8 | Confident | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.258 | 22% | 0.22 | S | C | . | . | trans | -66.7 | 165.2 | 172.8 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | A126 E127 M128 | T124-A126 VanDerWaalsContact C-N 3.34Å; T124-E127 VanDerWaalsContact CB-OE2 3.31Å; T124-E127 WeakPolarHBondContact CB-OE2 3.42Å; T124-E127 WeakPolarHBondContact CG2-OE2 3.23Å; T124-E127 PolarHBondContact N-OE2 2.9Å; T124-E127 WeakPolarHBondContact OG1-CB 3.41Å; T124-E127 WeakPolarHBondContact OG1-CG 3.27Å; T124-E127 PolarHBondContact OG1-N 2.77Å; T124-E127 PolarHBondContact OG1-OE2 3.47Å; T124-M128 WeakPolarHBondContact O-CB 3.42Å; T124-M128 PolarHBondContact O-N 3.46Å | ||
| 125 | A | 90.3 | Very high | 81.7 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.6 | -35.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M128 Y129 S174 A175 | A125-M128 PolarHBondContact O-N 2.79Å; A125-Y129 PolarHBondContact O-N 3.22Å; A125-S174 WeakPolarHBondContact CB-O 3.27Å; A125-A175 HydrophobicContact CB-CB 4.42Å; A125-A175 WeakPolarHBondContact O-CB 3.18Å |
| 126 | A | 90.3 | Very high | 83.5 | Confident | 18 Ų | 18 | 42.4 Ų | 42.4 | 15% | 0.149 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T55 T124 M128 Y129 F130 | T55-A126 HydrophobicContact CG2-CB 4.26Å; T124-A126 VanDerWaalsContact C-N 3.34Å; A126-M128 VanDerWaalsContact C-N 3.29Å; A126-M128 PolarHBondContact O-N 2.83Å; A126-Y129 WeakPolarHBondContact O-CB 3.49Å; A126-Y129 PolarHBondContact O-N 3.02Å; A126-F130 PolarHBondContact O-N 3.37Å |
| 127 | E | 90.3 | Very high | 85.1 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 173.9 | -71.8 | 162.2 | 151.5 | 0 | 0 | 111.4 | V123 T124 Y129 F130 L131 | V123-E127 HydrophobicContact CG1-CB 4.07Å; T124-E127 VanDerWaalsContact CB-OE2 3.31Å; T124-E127 WeakPolarHBondContact CB-OE2 3.42Å; T124-E127 WeakPolarHBondContact CG2-OE2 3.23Å; T124-E127 PolarHBondContact N-OE2 2.9Å; T124-E127 WeakPolarHBondContact OG1-CB 3.41Å; T124-E127 WeakPolarHBondContact OG1-CG 3.27Å; T124-E127 PolarHBondContact OG1-N 2.77Å; T124-E127 PolarHBondContact OG1-OE2 3.47Å; E127-Y129 PolarHBondContact O-N 3.27Å; E127-F130 PolarHBondContact O-N 3.31Å; E127-L131 HydrophobicContact CB-CD1 4.45Å; E127-L131 VanDerWaalsContact O-CB 3.28Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 VanDerWaalsContact O-CG 3.23Å; E127-L131 WeakPolarHBondContact O-CG 3.34Å; E127-L131 PolarHBondContact O-N 3.06Å |
| 128 | M | 92.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 174.1 | -176.1 | 70.2 | -159.5 | 0 | 0 | 111.3 | V14 L15 R95 A98 L99 V123 T124 A125 A126 F130 A132 L171 | V14-M128 HydrophobicContact CG1-CE 3.64Å; V14-M128 HydrophobicContact CG1-CG 4.15Å; V14-M128 HydrophobicContact CG1-SD 4.1Å; L15-M128 HydrophobicContact CD2-CE 3.45Å; L15-M128 VanDerWaalsContact CD2-CE 3.45Å; R95-M128 HydrophobicContact CB-CB 4.39Å; R95-M128 HydrophobicContact CB-CG 4.19Å; R95-M128 HydrophobicContact CB-SD 3.56Å; R95-M128 VanDerWaalsContact CB-SD 3.56Å; R95-M128 HydrophobicContact CG-CB 3.98Å; R95-M128 HydrophobicContact CG-CG 3.79Å; R95-M128 HydrophobicContact CG-SD 3.82Å; A98-M128 HydrophobicContact CB-CE 3.88Å; L99-M128 HydrophobicContact CD1-SD 3.9Å; L99-M128 HydrophobicContact CD2-CE 3.92Å; L99-M128 HydrophobicContact CD2-SD 4Å; L99-M128 HydrophobicContact CG-CE 3.91Å; L99-M128 HydrophobicContact CG-SD 3.63Å; V123-M128 HydrophobicContact CG1-CB 4.12Å; T124-M128 WeakPolarHBondContact O-CB 3.42Å; T124-M128 PolarHBondContact O-N 3.46Å; A125-M128 PolarHBondContact O-N 2.79Å; A126-M128 VanDerWaalsContact C-N 3.29Å; A126-M128 PolarHBondContact O-N 2.83Å; M128-F130 VanDerWaalsContact C-N 3.34Å; M128-F130 PolarHBondContact O-N 3.16Å; M128-A132 HydrophobicContact CE-CB 4.11Å; M128-A132 WeakPolarHBondContact O-CB 3.1Å; M128-A132 PolarHBondContact O-N 2.87Å; M128-L171 HydrophobicContact CG-CD1 4.06Å |
| 129 | Y | 94.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57 | -49.7 | 176.7 | -178.2 | -79.8 | 0 | 0 | 0 | 110.9 | Y56 A125 A126 E127 S133 Y166 R168 L171 A172 L177 E191 | Y56-Y129 HydrophobicContact CD1-CD1 4.34Å; Y56-Y129 AromaticContact CE1-CD1 3.68Å; Y56-Y129 HydrophobicContact CE1-CD1 3.68Å; Y56-Y129 AromaticContact CE1-CE1 3.6Å; Y56-Y129 HydrophobicContact CE1-CE1 3.6Å; Y56-Y129 HydrophobicContact CE2-CE1 4.06Å; Y56-Y129 AromaticContact CZ-CD1 3.88Å; Y56-Y129 AromaticContact CZ-CE1 3.31Å; Y56-Y129 WeakPolarHBondContact OH-CE1 3.15Å; Y56-Y129 PolarHBondContact OH-OH 2.87Å; A125-Y129 PolarHBondContact O-N 3.22Å; A126-Y129 WeakPolarHBondContact O-CB 3.49Å; A126-Y129 PolarHBondContact O-N 3.02Å; E127-Y129 PolarHBondContact O-N 3.27Å; Y129-S133 WeakPolarHBondContact O-CB 3.47Å; Y129-S133 PolarHBondContact O-N 2.94Å; Y129-S133 VanDerWaalsContact O-N 3.13Å; Y129-S133 PolarHBondContact O-OG 3.4Å; Y129-Y166 PolarHBondContact OH-OH 2.94Å; Y129-R168 HydrophobicContact CE2-CB 4Å; Y129-R168 PolarHBondContact OH-NE 3Å; Y129-R168 VanDerWaalsContact OH-NE 3.14Å; Y129-R168 PolarHBondContact OH-NH2 3.36Å; Y129-R168 VanDerWaalsContact OH-NH2 3.12Å; Y129-L171 HydrophobicContact CD2-CB 4.05Å; Y129-L171 HydrophobicContact CD2-CD2 3.97Å; Y129-L171 HydrophobicContact CD2-CG 3.67Å; Y129-L171 HydrophobicContact CE2-CB 4.47Å; Y129-L171 HydrophobicContact CE2-CG 4.45Å; Y129-L171 HydrophobicContact CG-CD2 4.45Å; Y129-L171 HydrophobicContact CG-CG 4.32Å; Y129-A172 HydrophobicContact CD2-CB 4.08Å; Y129-A172 HydrophobicContact CE2-CB 3.7Å; Y129-L177 HydrophobicContact CD1-CD1 4.3Å; Y129-L177 HydrophobicContact CD2-CD1 4.15Å; Y129-L177 HydrophobicContact CE1-CD1 4.4Å; Y129-L177 HydrophobicContact CE2-CD1 4.27Å; Y129-L177 HydrophobicContact CG-CD1 4.21Å; Y129-E191 PolarHBondContact OH-OE1 2.92Å |
| 130 | F | 93.9 | Very high | 89.1 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -50.3 | -178 | -179.6 | -97.5 | 0 | 0 | 0 | 112.7 | Y56 I58 W73 G76 C78 A126 E127 M128 S133 | Y56-F130 HydrophobicContact CD2-CD2 4.46Å; Y56-F130 HydrophobicContact CG-CD2 4.44Å; I58-F130 HydrophobicContact CD1-CD2 4.13Å; I58-F130 HydrophobicContact CG1-CD2 3.94Å; I58-F130 HydrophobicContact CG1-CE2 3.91Å; W73-F130 HydrophobicContact CH2-CD2 4.11Å; W73-F130 HydrophobicContact CH2-CE1 4.12Å; W73-F130 AromaticContact CH2-CE2 3.6Å; W73-F130 HydrophobicContact CH2-CE2 3.6Å; W73-F130 AromaticContact CH2-CZ 3.59Å; W73-F130 HydrophobicContact CH2-CZ 3.59Å; W73-F130 HydrophobicContact CZ2-CE1 4.43Å; W73-F130 HydrophobicContact CZ2-CE2 4.3Å; W73-F130 AromaticContact CZ2-CZ 3.9Å; W73-F130 HydrophobicContact CZ2-CZ 3.9Å; G76-F130 VanDerWaalsContact C-CZ 3.47Å; C78-F130 HydrophobicContact CB-CB 4.12Å; C78-F130 HydrophobicContact CB-CD1 3.93Å; C78-F130 HydrophobicContact CB-CD2 3.75Å; C78-F130 HydrophobicContact CB-CE1 4.25Å; C78-F130 HydrophobicContact CB-CE2 4.07Å; C78-F130 HydrophobicContact CB-CG 3.66Å; C78-F130 HydrophobicContact CB-CZ 4.32Å; A126-F130 PolarHBondContact O-N 3.37Å; E127-F130 PolarHBondContact O-N 3.31Å; M128-F130 VanDerWaalsContact C-N 3.34Å; M128-F130 PolarHBondContact O-N 3.16Å; F130-S133 VanDerWaalsContact O-CB 3.26Å; F130-S133 WeakPolarHBondContact O-CB 3.39Å; F130-S133 PolarHBondContact O-N 3.49Å |
| 131 | L | 91.9 | Very high | 90 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.7 | -36.6 | -177.3 | -65.1 | 172.8 | 0 | 0 | 0 | 112.5 | L99 Y116 A117 L120 E127 S133 M134 | L99-L131 HydrophobicContact CD1-CB 3.99Å; L99-L131 HydrophobicContact CD1-CD1 3.79Å; L99-L131 HydrophobicContact CD2-CB 3.71Å; Y116-L131 HydrophobicContact CD1-CD1 4.09Å; Y116-L131 HydrophobicContact CD1-CD2 3.56Å; Y116-L131 HydrophobicContact CD1-CG 4.42Å; Y116-L131 HydrophobicContact CE1-CD1 4.29Å; Y116-L131 HydrophobicContact CE1-CD2 4Å; A117-L131 HydrophobicContact CB-CD1 4.2Å; L120-L131 HydrophobicContact CD1-CD1 3.92Å; E127-L131 HydrophobicContact CB-CD1 4.45Å; E127-L131 VanDerWaalsContact O-CB 3.28Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 VanDerWaalsContact O-CG 3.23Å; E127-L131 WeakPolarHBondContact O-CG 3.34Å; E127-L131 PolarHBondContact O-N 3.06Å; L131-S133 PolarHBondContact O-N 2.83Å; L131-M134 HydrophobicContact CD2-SD 4.27Å; L131-M134 PolarHBondContact O-N 3.48Å |
| 132 | A | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.1 | -34.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L15 L99 L102 M128 M134 Y135 F136 L171 | L15-A132 HydrophobicContact CD2-CB 3.89Å; L99-A132 HydrophobicContact CD2-CB 4.39Å; L102-A132 HydrophobicContact CD1-CB 4.42Å; M128-A132 HydrophobicContact CE-CB 4.11Å; M128-A132 WeakPolarHBondContact O-CB 3.1Å; M128-A132 PolarHBondContact O-N 2.87Å; A132-M134 PolarHBondContact O-N 3.39Å; A132-Y135 PolarHBondContact O-N 3.46Å; A132-F136 HydrophobicContact CB-CE2 4.39Å; A132-F136 WeakPolarHBondContact O-CD2 3.31Å; A132-F136 WeakPolarHBondContact O-CE2 3.39Å; A132-L171 HydrophobicContact CB-CD2 4.05Å |
| 133 | S | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.9 | -31.5 | -178.9 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | W60 Y129 F130 L131 Y135 F136 R168 | W60-S133 VanDerWaalsContact CH2-O 3.24Å; W60-S133 WeakPolarHBondContact CH2-O 3.35Å; Y129-S133 WeakPolarHBondContact O-CB 3.47Å; Y129-S133 PolarHBondContact O-N 2.94Å; Y129-S133 VanDerWaalsContact O-N 3.13Å; Y129-S133 PolarHBondContact O-OG 3.4Å; F130-S133 VanDerWaalsContact O-CB 3.26Å; F130-S133 WeakPolarHBondContact O-CB 3.39Å; F130-S133 PolarHBondContact O-N 3.49Å; L131-S133 PolarHBondContact O-N 2.83Å; S133-Y135 PolarHBondContact O-N 3.44Å; S133-F136 PolarHBondContact O-N 3.02Å; S133-R168 PolarHBondContact OG-NH1 3.3Å; S133-R168 VanDerWaalsContact OG-NH1 3.17Å |
| 134 | M | 90.7 | Very high | 91.8 | Very high | 63 Ų | 63 | 21 Ų | 21 | 31% | 0.31 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.3 | 176.1 | -65.8 | 172.3 | 50.8 | 0 | 0 | 114.4 | W73 L131 A132 | W73-M134 HydrophobicContact CD2-CB 4.19Å; W73-M134 HydrophobicContact CD2-CG 3.66Å; W73-M134 HydrophobicContact CE3-CB 4.25Å; W73-M134 HydrophobicContact CE3-CG 3.79Å; W73-M134 HydrophobicContact CG-CB 4.43Å; W73-M134 HydrophobicContact CG-CG 4.25Å; W73-M134 HydrophobicContact CH2-CG 3.89Å; W73-M134 HydrophobicContact CZ2-CG 3.81Å; W73-M134 HydrophobicContact CZ3-CG 3.89Å; L131-M134 HydrophobicContact CD2-SD 4.27Å; L131-M134 PolarHBondContact O-N 3.48Å; A132-M134 PolarHBondContact O-N 3.39Å |
| 135 | Y | 91.3 | Very high | 92.2 | Very high | 24 Ų | 24 | 19.1 Ų | 19.1 | 9% | 0.094 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.9 | -179.5 | -55.8 | -75.7 | 0 | 0 | 0 | 113.6 | L23 P28 L102 H103 Y106 A132 S133 | L23-Y135 WeakPolarHBondContact CD2-O 3.4Å; P28-Y135 WeakPolarHBondContact CB-O 3.41Å; L102-Y135 HydrophobicContact CB-CD1 4.44Å; L102-Y135 HydrophobicContact CB-CD2 3.86Å; L102-Y135 HydrophobicContact CB-CE1 4.46Å; L102-Y135 HydrophobicContact CB-CE2 3.91Å; L102-Y135 HydrophobicContact CB-CG 4.13Å; L102-Y135 HydrophobicContact CD1-CD2 3.89Å; L102-Y135 HydrophobicContact CD1-CE2 4.38Å; L102-Y135 HydrophobicContact CG-CD2 4.44Å; H103-Y135 WeakPolarHBondContact CB-OH 3.41Å; H103-Y135 PolarHBondContact ND1-OH 2.62Å; Y106-Y135 HydrophobicContact CD2-CD1 4.35Å; Y106-Y135 HydrophobicContact CG-CD1 4.46Å; A132-Y135 PolarHBondContact O-N 3.46Å; S133-Y135 PolarHBondContact O-N 3.44Å |
| 136 | F | 94 | Very high | 92.3 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | trans | -87.6 | 146.7 | 176.5 | -71.6 | -103.3 | 0 | 0 | 0 | 110.4 | A19 H22 L23 W60 A132 S133 F138 R168 | A19-F136 HydrophobicContact CB-CE1 4.2Å; A19-F136 HydrophobicContact CB-CZ 4.01Å; H22-F136 AromaticContact CD2-CD1 3.63Å; L23-F136 HydrophobicContact CD1-CE1 4.28Å; L23-F136 HydrophobicContact CD1-CE2 3.81Å; L23-F136 HydrophobicContact CD1-CZ 3.63Å; L23-F136 HydrophobicContact CD2-CD1 4Å; L23-F136 HydrophobicContact CD2-CD2 3.83Å; L23-F136 HydrophobicContact CD2-CE1 4.04Å; L23-F136 HydrophobicContact CD2-CE2 3.9Å; L23-F136 HydrophobicContact CD2-CG 3.88Å; L23-F136 HydrophobicContact CD2-CZ 3.99Å; L23-F136 HydrophobicContact CG-CD1 4.22Å; L23-F136 HydrophobicContact CG-CD2 4.41Å; L23-F136 HydrophobicContact CG-CE1 3.77Å; L23-F136 HydrophobicContact CG-CE2 4Å; L23-F136 HydrophobicContact CG-CZ 3.65Å; W60-F136 HydrophobicContact CH2-CB 4.14Å; W60-F136 HydrophobicContact CZ3-CB 4.35Å; W60-F136 WeakPolarHBondContact CZ3-O 3.14Å; A132-F136 HydrophobicContact CB-CE2 4.39Å; A132-F136 WeakPolarHBondContact O-CD2 3.31Å; A132-F136 WeakPolarHBondContact O-CE2 3.39Å; S133-F136 PolarHBondContact O-N 3.02Å; F136-F138 HydrophobicContact CB-CE2 3.72Å; F136-F138 HydrophobicContact CB-CZ 3.77Å; F136-F138 HydrophobicContact CD1-CE1 4.35Å; F136-F138 AromaticContact CD1-CZ 3.91Å; F136-F138 HydrophobicContact CD1-CZ 3.91Å; F136-F138 HydrophobicContact CG-CZ 4.13Å; F136-R168 HydrophobicContact CD1-CG 4.13Å; F136-R168 HydrophobicContact CE1-CG 3.71Å; F136-R168 HydrophobicContact CZ-CG 3.95Å | ||
| 137 | S | 93.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | trans | -130.1 | 153.5 | 160.6 | 67.2 | 0 | 0 | 0 | 0 | 108.9 | H22 T26 P27 L71 | H22-S137 PolarHBondContact NE2-O 3.39Å; T26-S137 WeakPolarHBondContact CG2-OG 3.34Å; P27-S137 PolarHBondContact O-OG 3.2Å; L71-S137 CarbonylContact O-C 3.6Å; L71-S137 WeakPolarHBondContact O-CA 3.27Å; L71-S137 WeakPolarHBondContact O-CB 3.3Å | ||
| 138 | F | 94.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 104.3 | -176.7 | -61.1 | -78.7 | 0 | 0 | 0 | 109.9 | H22 W60 L71 F136 P145 | H22-F138 AromaticContact CE1-CD1 3.96Å; H22-F138 AromaticContact NE2-CD1 3.92Å; H22-F138 AromaticContact NE2-CE1 3.92Å; W60-F138 HydrophobicContact CD2-CD2 4.2Å; W60-F138 HydrophobicContact CD2-CE2 4.27Å; W60-F138 AromaticContact CE3-CD2 3.97Å; W60-F138 HydrophobicContact CE3-CD2 3.97Å; W60-F138 HydrophobicContact CE3-CE2 4.1Å; W60-F138 HydrophobicContact CH2-CD2 4.38Å; W60-F138 AromaticContact CH2-CE2 3.69Å; W60-F138 HydrophobicContact CH2-CE2 3.69Å; W60-F138 AromaticContact CZ2-CE2 3.85Å; W60-F138 HydrophobicContact CZ2-CE2 3.85Å; W60-F138 HydrophobicContact CZ3-CD2 4.06Å; W60-F138 AromaticContact CZ3-CE2 3.8Å; W60-F138 HydrophobicContact CZ3-CE2 3.8Å; L71-F138 HydrophobicContact CB-CB 4.17Å; L71-F138 WeakPolarHBondContact CB-O 3.37Å; L71-F138 PolarHBondContact N-O 3.3Å; L71-F138 PolarHBondContact O-N 2.85Å; F136-F138 HydrophobicContact CB-CE2 3.72Å; F136-F138 HydrophobicContact CB-CZ 3.77Å; F136-F138 HydrophobicContact CD1-CE1 4.35Å; F136-F138 AromaticContact CD1-CZ 3.91Å; F136-F138 HydrophobicContact CD1-CZ 3.91Å; F136-F138 HydrophobicContact CG-CZ 4.13Å; F138-P145 HydrophobicContact CB-CB 4.26Å; F138-P145 HydrophobicContact CD2-CB 3.93Å; F138-P145 HydrophobicContact CD2-CG 3.65Å; F138-P145 HydrophobicContact CE2-CG 3.82Å; F138-P145 HydrophobicContact CG-CB 4.18Å; F138-P145 HydrophobicContact CG-CG 4.12Å; F138-P145 HydrophobicContact CZ-CG 4.44Å |
| 139 | P | 91.5 | Very high | 92.5 | Very high | 50 Ų | 50 | 20.3 Ų | 20.3 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 158 | 165.6 | -24.4 | 33.8 | 0 | 0 | 0 | 111.2 | T26 G141 A142 G146 | T26-P139 HydrophobicContact CG2-CG 4.09Å; P139-G141 PolarHBondContact O-N 3.45Å; P139-A142 HydrophobicContact CB-CB 4.34Å; P139-A142 HydrophobicContact CG-CB 4.49Å; P139-A142 WeakPolarHBondContact O-CB 3.36Å; P139-A142 PolarHBondContact O-N 2.95Å; P139-G146 WeakPolarHBondContact O-CA 3.44Å |
| 140 | E | 87 | Confident | 92.3 | Very high | 88 Ų | 88 | 22.2 Ų | 22.2 | 41% | 0.411 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129.3 | 173.1 | -171.2 | 172.9 | -168.5 | 0 | 0 | 111.4 | A69 A142 A150 | A69-E140 PolarHBondContact O-N 2.89Å; E140-A142 VanDerWaalsContact C-N 3.29Å; E140-A142 PolarHBondContact O-N 2.99Å; E140-A150 HydrophobicContact CG-CB 3.59Å |
| 141 | G | 87.6 | Confident | 92.1 | Very high | 40 Ų | 40 | 24 Ų | 24 | 41% | 0.412 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -12.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | P139 G146 | P139-G141 PolarHBondContact O-N 3.45Å; G141-G146 WeakPolarHBondContact CA-O 3.36Å; G141-G146 PolarHBondContact N-O 2.92Å |
| 142 | A | 91.2 | Very high | 91.9 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -90.7 | 137.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P139 E140 G146 | P139-A142 HydrophobicContact CB-CB 4.34Å; P139-A142 HydrophobicContact CG-CB 4.49Å; P139-A142 WeakPolarHBondContact O-CB 3.36Å; P139-A142 PolarHBondContact O-N 2.95Å; E140-A142 VanDerWaalsContact C-N 3.29Å; E140-A142 PolarHBondContact O-N 2.99Å; A142-G146 WeakPolarHBondContact O-CA 3.18Å; A142-G146 PolarHBondContact O-N 3.2Å |
| 143 | G | 92.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | 63.6 | -168.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H147 W165 | G143-H147 WeakPolarHBondContact O-CB 3.3Å; G143-H147 PolarHBondContact O-N 3.41Å; G143-W165 CarbonylContact C-O 3.54Å; G143-W165 WeakPolarHBondContact CA-O 3.21Å |
| 144 | G | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.8 | -48.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | H147 A148 | G144-H147 PolarHBondContact O-N 3.45Å; G144-A148 PolarHBondContact O-N 3.44Å |
| 145 | P | 95.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | -178.3 | -25.2 | 36.5 | 0 | 0 | 0 | 112.5 | W60 L71 F138 H147 A148 L149 F182 V189 | W60-P145 HydrophobicContact CB-CB 4.36Å; W60-P145 HydrophobicContact CD2-CB 4.37Å; W60-P145 HydrophobicContact CD2-CG 4.14Å; W60-P145 HydrophobicContact CG-CB 3.89Å; W60-P145 HydrophobicContact CG-CG 3.99Å; L71-P145 HydrophobicContact CD1-CB 3.54Å; L71-P145 WeakPolarHBondContact CD1-O 3.33Å; F138-P145 HydrophobicContact CB-CB 4.26Å; F138-P145 HydrophobicContact CD2-CB 3.93Å; F138-P145 HydrophobicContact CD2-CG 3.65Å; F138-P145 HydrophobicContact CE2-CG 3.82Å; F138-P145 HydrophobicContact CG-CB 4.18Å; F138-P145 HydrophobicContact CG-CG 4.12Å; F138-P145 HydrophobicContact CZ-CG 4.44Å; P145-H147 VanDerWaalsContact C-N 3.32Å; P145-H147 PolarHBondContact O-N 3.42Å; P145-A148 PolarHBondContact O-N 2.87Å; P145-L149 PolarHBondContact O-N 3.41Å; P145-F182 HydrophobicContact CG-CD1 3.85Å; P145-F182 HydrophobicContact CG-CE1 3.82Å; P145-V189 HydrophobicContact CB-CB 4.44Å; P145-V189 HydrophobicContact CB-CG1 4.45Å |
| 146 | G | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P139 G141 A142 L149 A150 | P139-G146 WeakPolarHBondContact O-CA 3.44Å; G141-G146 WeakPolarHBondContact CA-O 3.36Å; G141-G146 PolarHBondContact N-O 2.92Å; A142-G146 WeakPolarHBondContact O-CA 3.18Å; A142-G146 PolarHBondContact O-N 3.2Å; G146-L149 PolarHBondContact O-N 3.09Å; G146-A150 WeakPolarHBondContact O-CB 3.28Å; G146-A150 PolarHBondContact O-N 2.87Å |
| 147 | H | 93.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 30% | 0.296 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.1 | -176.2 | 75.5 | 0 | 0 | 0 | 112.7 | G143 G144 P145 L149 A150 T151 | G143-H147 WeakPolarHBondContact O-CB 3.3Å; G143-H147 PolarHBondContact O-N 3.41Å; G144-H147 PolarHBondContact O-N 3.45Å; P145-H147 VanDerWaalsContact C-N 3.32Å; P145-H147 PolarHBondContact O-N 3.42Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 2.92Å; H147-A150 PolarHBondContact O-N 3.34Å; H147-T151 WeakPolarHBondContact O-CB 3.42Å; H147-T151 WeakPolarHBondContact O-CG2 3.34Å; H147-T151 PolarHBondContact O-N 2.85Å; H147-T151 PolarHBondContact O-OG1 3.26Å |
| 148 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G144 P145 T151 A152 R153 F182 V189 | G144-A148 PolarHBondContact O-N 3.44Å; P145-A148 PolarHBondContact O-N 2.87Å; A148-T151 PolarHBondContact O-OG1 2.86Å; A148-A152 WeakPolarHBondContact O-CA 3.37Å; A148-A152 PolarHBondContact O-N 3.36Å; A148-R153 WeakPolarHBondContact CA-O 3.46Å; A148-R153 PolarHBondContact O-N 3.43Å; A148-F182 HydrophobicContact CB-CB 3.69Å; A148-V189 HydrophobicContact CB-CG1 4.01Å; A148-V189 HydrophobicContact CB-CG2 4.5Å |
| 149 | L | 91.1 | Very high | 91.9 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -50.3 | 175 | -176.1 | 66.5 | 0 | 0 | 0 | 111.8 | E62 A69 L71 P145 G146 H147 T151 A152 V189 | E62-L149 HydrophobicContact CG-CD2 4.36Å; A69-L149 HydrophobicContact CB-CD2 4.49Å; L71-L149 HydrophobicContact CD1-CB 4.1Å; L71-L149 HydrophobicContact CD1-CD2 4.06Å; L71-L149 HydrophobicContact CD2-CD2 4.07Å; L71-L149 HydrophobicContact CG-CD2 3.91Å; P145-L149 PolarHBondContact O-N 3.41Å; G146-L149 PolarHBondContact O-N 3.09Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 2.92Å; L149-T151 VanDerWaalsContact C-N 3.33Å; L149-T151 PolarHBondContact O-N 2.68Å; L149-A152 PolarHBondContact O-N 3.37Å; L149-V189 HydrophobicContact CB-CG2 3.91Å; L149-V189 HydrophobicContact CD1-CG2 4.46Å |
| 150 | A | 89.2 | Confident | 91.9 | Very high | 41 Ų | 41 | 39.8 Ų | 39.8 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -40.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E140 G146 H147 | E140-A150 HydrophobicContact CG-CB 3.59Å; G146-A150 WeakPolarHBondContact O-CB 3.28Å; G146-A150 PolarHBondContact O-N 2.87Å; H147-A150 PolarHBondContact O-N 3.34Å |
| 151 | T | 90.9 | Very high | 92.1 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 36% | 0.362 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -83.1 | -14.1 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | H147 A148 L149 R153 | H147-T151 WeakPolarHBondContact O-CB 3.42Å; H147-T151 WeakPolarHBondContact O-CG2 3.34Å; H147-T151 PolarHBondContact O-N 2.85Å; H147-T151 PolarHBondContact O-OG1 3.26Å; A148-T151 PolarHBondContact O-OG1 2.86Å; L149-T151 VanDerWaalsContact C-N 3.33Å; L149-T151 PolarHBondContact O-N 2.68Å; T151-R153 WeakPolarHBondContact O-CG 3.47Å; T151-R153 PolarHBondContact O-N 3.02Å; T151-R153 VanDerWaalsContact O-N 3.09Å; T151-R153 PolarHBondContact OG1-N 3.14Å |
| 152 | A | 86.5 | Confident | 92.2 | Very high | 46 Ų | 46 | 40.6 Ų | 40.6 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 27.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A148 L149 | A148-A152 WeakPolarHBondContact O-CA 3.37Å; A148-A152 PolarHBondContact O-N 3.36Å; L149-A152 PolarHBondContact O-N 3.37Å |
| 153 | R | 89.9 | Confident | 92.2 | Very high | 176 Ų | 176 | 41 Ų | 41 | 66% | 0.664 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -123.6 | 150 | 178.6 | -69.3 | 179.7 | 68.2 | -164.3 | -1.6 | 109.7 | A148 T151 P184 | A148-R153 WeakPolarHBondContact CA-O 3.46Å; A148-R153 PolarHBondContact O-N 3.43Å; T151-R153 WeakPolarHBondContact O-CG 3.47Å; T151-R153 PolarHBondContact O-N 3.02Å; T151-R153 VanDerWaalsContact O-N 3.09Å; T151-R153 PolarHBondContact OG1-N 3.14Å; R153-P184 WeakPolarHBondContact O-CD 3.48Å |
| 154 | H | 92 | Very high | 92.1 | Very high | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.25 | 27% | 0.273 | C | S | . | . | trans | -65.1 | 147.3 | 170.1 | 62.7 | -86.7 | 0 | 0 | 0 | 110.6 | F182 L183 E200 L205 | H154-F182 CarbonylContact C-O 3.5Å; H154-F182 WeakPolarHBondContact CA-O 3.3Å; H154-L183 HydrophobicContact CB-CD2 3.4Å; H154-E200 IonicContact CD2-OE1 3.9Å; H154-E200 PolarHBondContact CD2-OE1 3.37Å; H154-E200 IonicContact CE1-OE1 3.82Å; H154-E200 IonicContact NE2-OE1 2.73Å; H154-E200 PolarHBondContact NE2-OE1 3.2Å; H154-L205 HydrophobicContact CB-CD2 4.33Å | ||
| 155 | A | 92.3 | Very high | 91.9 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W165 V181 F182 | A155-W165 HydrophobicContact CB-CH2 4.04Å; A155-W165 HydrophobicContact CB-CZ2 4.24Å; A155-V181 WeakPolarHBondContact O-CA 3.34Å; A155-F182 HydrophobicContact CB-CB 4.33Å; A155-F182 HydrophobicContact CB-CD2 4.19Å; A155-F182 PolarHBondContact N-O 3.12Å; A155-F182 PolarHBondContact O-N 2.68Å |
| 156 | W | 94.3 | Very high | 91.9 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 109.9 | -178.6 | -142.5 | -74.7 | 0 | 0 | 0 | 109 | V181 V198 E200 L205 L208 | W156-V181 HydrophobicContact CD2-CB 4.47Å; W156-V181 HydrophobicContact CD2-CG1 4.11Å; W156-V181 HydrophobicContact CD2-CG2 3.59Å; W156-V181 VanDerWaalsContact CE2-CG2 3.42Å; W156-V181 HydrophobicContact CE3-CG1 3.72Å; W156-V181 HydrophobicContact CE3-CG2 4.01Å; W156-V181 HydrophobicContact CG-CG2 4.05Å; W156-V181 HydrophobicContact CH2-CG1 4.46Å; W156-V181 HydrophobicContact CH2-CG2 4.14Å; W156-V181 HydrophobicContact CZ2-CG2 3.72Å; W156-V181 HydrophobicContact CZ3-CG1 3.91Å; W156-V181 HydrophobicContact CZ3-CG2 4.26Å; W156-V198 HydrophobicContact CZ2-CB 4.4Å; W156-V198 HydrophobicContact CZ2-CG1 3.96Å; W156-V198 PolarHBondContact NE1-O 2.94Å; W156-E200 HydrophobicContact CD2-CB 3.65Å; W156-E200 HydrophobicContact CD2-CG 3.96Å; W156-E200 HydrophobicContact CE3-CB 3.77Å; W156-E200 HydrophobicContact CE3-CG 3.54Å; W156-E200 HydrophobicContact CG-CB 4.07Å; W156-E200 HydrophobicContact CH2-CB 4.38Å; W156-E200 HydrophobicContact CZ2-CB 4.28Å; W156-E200 HydrophobicContact CZ3-CB 4.14Å; W156-E200 HydrophobicContact CZ3-CG 3.86Å; W156-L205 HydrophobicContact CE3-CD2 4.28Å; W156-L205 HydrophobicContact CZ3-CD2 3.61Å; W156-L205 HydrophobicContact CZ3-CG 3.88Å; W156-L208 HydrophobicContact CH2-CD1 4.42Å |
| 157 | A | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P163 W165 Y166 T179 V180 F182 | A157-P163 HydrophobicContact CB-CG 4.2Å; A157-W165 HydrophobicContact CB-CH2 3.83Å; A157-W165 HydrophobicContact CB-CZ2 4.41Å; A157-W165 HydrophobicContact CB-CZ3 4.5Å; A157-Y166 HydrophobicContact CB-CD1 4.28Å; A157-T179 WeakPolarHBondContact O-CA 3.22Å; A157-V180 WeakPolarHBondContact CB-O 3.41Å; A157-V180 PolarHBondContact N-O 3.01Å; A157-V180 PolarHBondContact O-N 3.32Å; A157-F182 HydrophobicContact CB-CE2 4.31Å |
| 158 | T | 95.4 | Very high | 92 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132.6 | 157.2 | -55.4 | 0 | 0 | 0 | 0 | 107.6 | D160 A162 P163 | T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 WeakPolarHBondContact CG2-O 3.49Å; T158-A162 WeakPolarHBondContact O-CA 3.49Å; T158-P163 WeakPolarHBondContact O-CD 3.5Å |
| 159 | V | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -77 | -24.3 | -176.9 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | A162 Y166 A172 Q173 L177 R178 V180 | V159-A162 WeakPolarHBondContact O-CB 3.44Å; V159-A162 PolarHBondContact O-N 2.95Å; V159-Y166 HydrophobicContact CG2-CE1 4.41Å; V159-A172 HydrophobicContact CG1-CB 3.9Å; V159-A172 HydrophobicContact CG2-CB 4.15Å; V159-Q173 HydrophobicContact CG1-CB 3.87Å; V159-L177 VanDerWaalsContact CB-O 3.29Å; V159-L177 WeakPolarHBondContact CB-O 3.27Å; V159-L177 WeakPolarHBondContact CG1-O 3.41Å; V159-L177 HydrophobicContact CG2-CB 4.06Å; V159-L177 WeakPolarHBondContact CG2-O 3.23Å; V159-R178 PolarHBondContact N-O 3.2Å; V159-V180 HydrophobicContact CG2-CG2 3.93Å |
| 160 | D | 91.2 | Very high | 92.3 | Very high | 82 Ų | 82 | 49.9 Ų | 49.9 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.7 | 103.5 | 179.4 | -172.3 | 9 | 0 | 0 | 0 | 110 | T158 R178 | T158-D160 VanDerWaalsContact C-N 3.33Å; T158-D160 WeakPolarHBondContact CG2-O 3.49Å; D160-R178 VanDerWaalsContact CB-NH1 3.27Å; D160-R178 IonicContact OD2-NH1 3.54Å |
| 161 | P | 91.7 | Very high | 92.5 | Very high | 104 Ų | 104 | 48 Ų | 48 | 68% | 0.675 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -76.8 | 139.4 | 1.3 | 31.9 | -34.3 | 0 | 0 | 0 | 112.2 | ||
| 162 | A | 90.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 141.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T158 V159 Y166 A169 | T158-A162 WeakPolarHBondContact O-CA 3.49Å; V159-A162 WeakPolarHBondContact O-CB 3.44Å; V159-A162 PolarHBondContact O-N 2.95Å; A162-Y166 HydrophobicContact CB-CD1 4.49Å; A162-A169 HydrophobicContact CB-CB 3.28Å |
| 163 | P | 90.8 | Very high | 93.2 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 25% | 0.253 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 143.1 | 167.4 | -19.2 | 31.2 | 0 | 0 | 0 | 111.4 | A157 T158 W165 Y166 | A157-P163 HydrophobicContact CB-CG 4.2Å; T158-P163 WeakPolarHBondContact O-CD 3.5Å; P163-W165 HydrophobicContact CB-CD2 3.99Å; P163-W165 HydrophobicContact CB-CG 4.14Å; P163-W165 HydrophobicContact CB-CZ2 3.98Å; P163-W165 VanDerWaalsContact CB-NE1 3.34Å; P163-W165 HydrophobicContact CG-CZ2 3.87Å; P163-W165 PolarHBondContact O-N 3.06Å; P163-W165 VanDerWaalsContact O-N 3.12Å; P163-Y166 WeakPolarHBondContact O-CB 3.45Å; P163-Y166 PolarHBondContact O-N 3.36Å |
| 164 | G | 89.7 | Confident | 93.2 | Very high | 88 Ų | 88 | 42.3 Ų | 42.3 | 91% | 0.907 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y166 | G164-Y166 VanDerWaalsContact C-N 3.29Š|
| 165 | W | 90.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.7 | 173.6 | 56.5 | -106.3 | 0 | 0 | 0 | 113 | G143 A155 A157 P163 V167 F182 | G143-W165 CarbonylContact C-O 3.54Å; G143-W165 WeakPolarHBondContact CA-O 3.21Å; A155-W165 HydrophobicContact CB-CH2 4.04Å; A155-W165 HydrophobicContact CB-CZ2 4.24Å; A157-W165 HydrophobicContact CB-CH2 3.83Å; A157-W165 HydrophobicContact CB-CZ2 4.41Å; A157-W165 HydrophobicContact CB-CZ3 4.5Å; P163-W165 HydrophobicContact CB-CD2 3.99Å; P163-W165 HydrophobicContact CB-CG 4.14Å; P163-W165 HydrophobicContact CB-CZ2 3.98Å; P163-W165 VanDerWaalsContact CB-NE1 3.34Å; P163-W165 HydrophobicContact CG-CZ2 3.87Å; P163-W165 PolarHBondContact O-N 3.06Å; P163-W165 VanDerWaalsContact O-N 3.12Å; W165-V167 PolarHBondContact O-N 3.09Å; W165-F182 AromaticContact CH2-CD2 3.98Å; W165-F182 HydrophobicContact CH2-CD2 3.98Å; W165-F182 AromaticContact CH2-CE2 3.78Å; W165-F182 HydrophobicContact CH2-CE2 3.78Å; W165-F182 HydrophobicContact CZ3-CD2 4.07Å; W165-F182 AromaticContact CZ3-CE2 3.63Å; W165-F182 HydrophobicContact CZ3-CE2 3.63Å; W165-F182 HydrophobicContact CZ3-CZ 4.35Å |
| 166 | Y | 94.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | trans | -86.3 | 80.4 | -176.6 | -175.5 | -146.5 | 0 | 0 | 0 | 111.9 | Y129 A157 V159 A162 P163 G164 R168 A169 A172 V180 F182 | Y129-Y166 PolarHBondContact OH-OH 2.94Å; A157-Y166 HydrophobicContact CB-CD1 4.28Å; V159-Y166 HydrophobicContact CG2-CE1 4.41Å; A162-Y166 HydrophobicContact CB-CD1 4.49Å; P163-Y166 WeakPolarHBondContact O-CB 3.45Å; P163-Y166 PolarHBondContact O-N 3.36Å; G164-Y166 VanDerWaalsContact C-N 3.29Å; Y166-R168 HydrophobicContact CE2-CB 3.96Å; Y166-R168 PolarHBondContact O-N 3.14Å; Y166-A169 HydrophobicContact CD1-CB 3.73Å; Y166-A169 HydrophobicContact CE1-CB 4.2Å; Y166-A169 HydrophobicContact CG-CB 4.28Å; Y166-A169 WeakPolarHBondContact O-CB 3.46Å; Y166-A169 PolarHBondContact O-N 3Å; Y166-A172 HydrophobicContact CE1-CB 3.9Å; Y166-A172 VanDerWaalsContact OH-CB 3.29Å; Y166-A172 WeakPolarHBondContact OH-CB 3.45Å; Y166-V180 HydrophobicContact CE1-CB 4.43Å; Y166-V180 HydrophobicContact CE1-CG2 4.2Å; Y166-V180 WeakPolarHBondContact OH-CG2 3.39Å; Y166-F182 HydrophobicContact CD2-CZ 4.01Å; Y166-F182 AromaticContact CE2-CZ 3.82Å; Y166-F182 HydrophobicContact CE2-CZ 3.82Å | ||
| 167 | V | 94.2 | Very high | 93.3 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -34.2 | -176.6 | 166.9 | 0 | 0 | 0 | 0 | 114.8 | A19 H22 W165 A169 | A19-V167 PolarHBondContact N-O 3.31Å; H22-V167 HydrophobicContact CB-CG1 3.46Å; H22-V167 VanDerWaalsContact CB-CG1 3.46Å; W165-V167 PolarHBondContact O-N 3.09Å; V167-A169 VanDerWaalsContact C-N 3.35Å |
| 168 | R | 95.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.2 | -178.6 | -62 | -162.1 | -56.4 | -128.6 | -6.3 | 114 | W60 Y129 S133 F136 Y166 S170 L171 A172 E191 | W60-R168 VanDerWaalsContact CZ2-NH2 3.33Å; Y129-R168 HydrophobicContact CE2-CB 4Å; Y129-R168 PolarHBondContact OH-NE 3Å; Y129-R168 VanDerWaalsContact OH-NE 3.14Å; Y129-R168 PolarHBondContact OH-NH2 3.36Å; Y129-R168 VanDerWaalsContact OH-NH2 3.12Å; S133-R168 PolarHBondContact OG-NH1 3.3Å; S133-R168 VanDerWaalsContact OG-NH1 3.17Å; F136-R168 HydrophobicContact CD1-CG 4.13Å; F136-R168 HydrophobicContact CE1-CG 3.71Å; F136-R168 HydrophobicContact CZ-CG 3.95Å; Y166-R168 HydrophobicContact CE2-CB 3.96Å; Y166-R168 PolarHBondContact O-N 3.14Å; R168-S170 PolarHBondContact O-N 3.23Å; R168-L171 PolarHBondContact O-N 3.5Å; R168-L171 VanDerWaalsContact O-N 3.16Å; R168-A172 WeakPolarHBondContact O-CB 3.26Å; R168-A172 PolarHBondContact O-N 2.77Å; R168-E191 IonicContact CZ-OE1 3.42Å; R168-E191 IonicContact CZ-OE2 3.61Å; R168-E191 IonicContact NH2-OE1 2.87Å; R168-E191 PolarHBondContact NH2-OE1 3.02Å; R168-E191 IonicContact NH2-OE2 3.6Å; R168-E191 PolarHBondContact NH2-OE2 3.09Å |
| 169 | A | 95.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 13% | 0.132 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.7 | -46.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A162 Y166 V167 L171 A172 Q173 | A162-A169 HydrophobicContact CB-CB 3.28Å; Y166-A169 HydrophobicContact CD1-CB 3.73Å; Y166-A169 HydrophobicContact CE1-CB 4.2Å; Y166-A169 HydrophobicContact CG-CB 4.28Å; Y166-A169 WeakPolarHBondContact O-CB 3.46Å; Y166-A169 PolarHBondContact O-N 3Å; V167-A169 VanDerWaalsContact C-N 3.35Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.7Å; A169-A172 WeakPolarHBondContact O-CB 3.46Å; A169-A172 PolarHBondContact O-N 2.86Å; A169-Q173 WeakPolarHBondContact O-CB 3.29Å; A169-Q173 PolarHBondContact O-N 3.2Å |
| 170 | S | 94.5 | Very high | 93.6 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 43% | 0.434 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 112 | R168 Q173 S174 | R168-S170 PolarHBondContact O-N 3.23Å; S170-Q173 PolarHBondContact O-N 3.41Å; S170-S174 PolarHBondContact O-N 2.9Å |
| 171 | L | 94.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 176 | -173.3 | 60.2 | 0 | 0 | 0 | 110.4 | L15 M128 Y129 A132 R168 A169 Q173 S174 A175 | L15-L171 HydrophobicContact CD2-CD1 4.03Å; L15-L171 HydrophobicContact CD2-CD2 3.99Å; M128-L171 HydrophobicContact CG-CD1 4.06Å; Y129-L171 HydrophobicContact CD2-CB 4.05Å; Y129-L171 HydrophobicContact CD2-CD2 3.97Å; Y129-L171 HydrophobicContact CD2-CG 3.67Å; Y129-L171 HydrophobicContact CE2-CB 4.47Å; Y129-L171 HydrophobicContact CE2-CG 4.45Å; Y129-L171 HydrophobicContact CG-CD2 4.45Å; Y129-L171 HydrophobicContact CG-CG 4.32Å; A132-L171 HydrophobicContact CB-CD2 4.05Å; R168-L171 PolarHBondContact O-N 3.5Å; R168-L171 VanDerWaalsContact O-N 3.16Å; A169-L171 VanDerWaalsContact C-N 3.33Å; A169-L171 PolarHBondContact O-N 2.7Å; L171-Q173 PolarHBondContact O-N 2.88Å; L171-S174 PolarHBondContact O-N 2.84Å; L171-S174 PolarHBondContact O-OG 3.24Å; L171-A175 WeakPolarHBondContact O-CB 3.5Å; L171-A175 PolarHBondContact O-N 2.88Å |
| 172 | A | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y129 V159 Y166 R168 A169 A175 G176 L177 | Y129-A172 HydrophobicContact CD2-CB 4.08Å; Y129-A172 HydrophobicContact CE2-CB 3.7Å; V159-A172 HydrophobicContact CG1-CB 3.9Å; V159-A172 HydrophobicContact CG2-CB 4.15Å; Y166-A172 HydrophobicContact CE1-CB 3.9Å; Y166-A172 VanDerWaalsContact OH-CB 3.29Å; Y166-A172 WeakPolarHBondContact OH-CB 3.45Å; R168-A172 WeakPolarHBondContact O-CB 3.26Å; R168-A172 PolarHBondContact O-N 2.77Å; A169-A172 WeakPolarHBondContact O-CB 3.46Å; A169-A172 PolarHBondContact O-N 2.86Å; A172-A175 CarbonylContact O-C 3.47Å; A172-A175 WeakPolarHBondContact O-CB 3.24Å; A172-A175 PolarHBondContact O-N 3Å; A172-G176 PolarHBondContact O-N 2.84Å; A172-L177 HydrophobicContact CB-CB 4.23Å; A172-L177 HydrophobicContact CB-CD1 3.89Å; A172-L177 WeakPolarHBondContact O-CB 3.44Å; A172-L177 PolarHBondContact O-N 3.24Å |
| 173 | Q | 94.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 176.2 | -171.4 | -178.4 | 21.1 | 0 | 0 | 110.8 | V159 A169 S170 L171 A175 G176 | V159-Q173 HydrophobicContact CG1-CB 3.87Å; A169-Q173 WeakPolarHBondContact O-CB 3.29Å; A169-Q173 PolarHBondContact O-N 3.2Å; S170-Q173 PolarHBondContact O-N 3.41Å; L171-Q173 PolarHBondContact O-N 2.88Å; Q173-A175 PolarHBondContact O-N 3.2Å; Q173-G176 PolarHBondContact O-N 2.84Å |
| 174 | S | 91.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 42% | 0.42 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.8 | -29.1 | 176.1 | 83.6 | 0 | 0 | 0 | 0 | 112.8 | A125 S170 L171 G176 | A125-S174 WeakPolarHBondContact CB-O 3.27Å; S170-S174 PolarHBondContact O-N 2.9Å; L171-S174 PolarHBondContact O-N 2.84Å; L171-S174 PolarHBondContact O-OG 3.24Å; S174-G176 PolarHBondContact O-N 3.44Å |
| 175 | A | 92.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 13% | 0.132 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | A125 L171 A172 Q173 L177 | A125-A175 HydrophobicContact CB-CB 4.42Å; A125-A175 WeakPolarHBondContact O-CB 3.18Å; L171-A175 WeakPolarHBondContact O-CB 3.5Å; L171-A175 PolarHBondContact O-N 2.88Å; A172-A175 CarbonylContact O-C 3.47Å; A172-A175 WeakPolarHBondContact O-CB 3.24Å; A172-A175 PolarHBondContact O-N 3Å; Q173-A175 PolarHBondContact O-N 3.2Å; A175-L177 VanDerWaalsContact C-N 3.26Å; A175-L177 HydrophobicContact CB-CD1 4.33Å; A175-L177 HydrophobicContact CB-CG 4.09Å; A175-L177 PolarHBondContact O-N 3.19Å |
| 176 | G | 92.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 14.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A172 Q173 S174 A195 | A172-G176 PolarHBondContact O-N 2.84Å; Q173-G176 PolarHBondContact O-N 2.84Å; S174-G176 PolarHBondContact O-N 3.44Å; G176-A195 WeakPolarHBondContact O-CA 3.45Å |
| 177 | L | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | -70.9 | 141.8 | 176.1 | -58.3 | 173.5 | 0 | 0 | 0 | 109.9 | T55 Y56 Y129 V159 A172 A175 V180 S194 | T55-L177 HydrophobicContact CG2-CD2 4.37Å; Y56-L177 HydrophobicContact CE1-CD1 3.65Å; Y56-L177 HydrophobicContact CE1-CD2 4.21Å; Y129-L177 HydrophobicContact CD1-CD1 4.3Å; Y129-L177 HydrophobicContact CD2-CD1 4.15Å; Y129-L177 HydrophobicContact CE1-CD1 4.4Å; Y129-L177 HydrophobicContact CE2-CD1 4.27Å; Y129-L177 HydrophobicContact CG-CD1 4.21Å; V159-L177 VanDerWaalsContact CB-O 3.29Å; V159-L177 WeakPolarHBondContact CB-O 3.27Å; V159-L177 WeakPolarHBondContact CG1-O 3.41Å; V159-L177 HydrophobicContact CG2-CB 4.06Å; V159-L177 WeakPolarHBondContact CG2-O 3.23Å; A172-L177 HydrophobicContact CB-CB 4.23Å; A172-L177 HydrophobicContact CB-CD1 3.89Å; A172-L177 WeakPolarHBondContact O-CB 3.44Å; A172-L177 PolarHBondContact O-N 3.24Å; A175-L177 VanDerWaalsContact C-N 3.26Å; A175-L177 HydrophobicContact CB-CD1 4.33Å; A175-L177 HydrophobicContact CB-CG 4.09Å; A175-L177 PolarHBondContact O-N 3.19Å; L177-V180 HydrophobicContact CD1-CG2 4.24Å; L177-S194 WeakPolarHBondContact CA-O 3.29Å | ||
| 178 | R | 96.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 34.5 Ų | 34.5 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | trans | -113.3 | -29.7 | 177.3 | -60.1 | -57.3 | -57.6 | 150.6 | 0.8 | 111.8 | V159 D160 S194 A195 P197 | V159-R178 PolarHBondContact N-O 3.2Å; D160-R178 VanDerWaalsContact CB-NH1 3.27Å; D160-R178 IonicContact OD2-NH1 3.54Å; R178-S194 PolarHBondContact N-O 3.22Å; R178-A195 WeakPolarHBondContact CG-O 3.48Å; R178-P197 HydrophobicContact CB-CG 4.21Å | ||
| 179 | T | 96.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 34.4 Ų | 34.4 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.1 | -178.6 | -42 | 0 | 0 | 0 | 0 | 110.3 | A157 V181 G193 S194 V196 P197 V198 | A157-T179 WeakPolarHBondContact O-CA 3.22Å; T179-V181 HydrophobicContact CG2-CG2 4.16Å; T179-G193 WeakPolarHBondContact O-CA 3.16Å; T179-S194 PolarHBondContact N-O 3.02Å; T179-S194 PolarHBondContact O-N 2.69Å; T179-V196 PolarHBondContact OG1-O 2.9Å; T179-P197 VanDerWaalsContact OG1-CA 3.3Å; T179-P197 WeakPolarHBondContact OG1-CA 3.38Å; T179-V198 HydrophobicContact CG2-CB 4.12Å; T179-V198 PolarHBondContact OG1-N 2.79Å |
| 180 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.3 | 169.6 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | A157 V159 Y166 L177 F182 E191 L192 | A157-V180 WeakPolarHBondContact CB-O 3.41Å; A157-V180 PolarHBondContact N-O 3.01Å; A157-V180 PolarHBondContact O-N 3.32Å; V159-V180 HydrophobicContact CG2-CG2 3.93Å; Y166-V180 HydrophobicContact CE1-CB 4.43Å; Y166-V180 HydrophobicContact CE1-CG2 4.2Å; Y166-V180 WeakPolarHBondContact OH-CG2 3.39Å; L177-V180 HydrophobicContact CD1-CG2 4.24Å; V180-F182 HydrophobicContact CB-CE2 4.4Å; V180-F182 HydrophobicContact CB-CZ 4.4Å; V180-F182 HydrophobicContact CG1-CE1 4.06Å; V180-F182 HydrophobicContact CG1-CE2 3.83Å; V180-F182 HydrophobicContact CG1-CZ 3.48Å; V180-F182 VanDerWaalsContact CG1-CZ 3.48Å; V180-E191 HydrophobicContact CG1-CG 3.82Å; V180-L192 CarbonylContact C-O 3.57Å; V180-L192 VanDerWaalsContact CA-O 3.29Å; V180-L192 WeakPolarHBondContact CA-O 3.41Å |
| 181 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.9 | -175.8 | -174 | 0 | 0 | 0 | 0 | 109.2 | W54 A155 W156 T179 L183 E191 L192 | W54-V181 HydrophobicContact CH2-CG2 3.88Å; W54-V181 HydrophobicContact CZ3-CG2 4.04Å; A155-V181 WeakPolarHBondContact O-CA 3.34Å; W156-V181 HydrophobicContact CD2-CB 4.47Å; W156-V181 HydrophobicContact CD2-CG1 4.11Å; W156-V181 HydrophobicContact CD2-CG2 3.59Å; W156-V181 VanDerWaalsContact CE2-CG2 3.42Å; W156-V181 HydrophobicContact CE3-CG1 3.72Å; W156-V181 HydrophobicContact CE3-CG2 4.01Å; W156-V181 HydrophobicContact CG-CG2 4.05Å; W156-V181 HydrophobicContact CH2-CG1 4.46Å; W156-V181 HydrophobicContact CH2-CG2 4.14Å; W156-V181 HydrophobicContact CZ2-CG2 3.72Å; W156-V181 HydrophobicContact CZ3-CG1 3.91Å; W156-V181 HydrophobicContact CZ3-CG2 4.26Å; T179-V181 HydrophobicContact CG2-CG2 4.16Å; V181-L183 HydrophobicContact CG1-CD2 3.8Å; V181-L183 HydrophobicContact CG1-CG 4Å; V181-E191 CarbonylContact O-C 3.5Å; V181-E191 VanDerWaalsContact O-CA 3.27Å; V181-E191 WeakPolarHBondContact O-CA 3.31Å; V181-L192 PolarHBondContact N-O 3.22Å; V181-L192 PolarHBondContact O-N 3.1Å |
| 182 | F | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.6 | 176.3 | -52.8 | -86.3 | 0 | 0 | 0 | 108.7 | P145 A148 H154 A155 A157 W165 Y166 V180 V189 L190 E191 | P145-F182 HydrophobicContact CG-CD1 3.85Å; P145-F182 HydrophobicContact CG-CE1 3.82Å; A148-F182 HydrophobicContact CB-CB 3.69Å; H154-F182 CarbonylContact C-O 3.5Å; H154-F182 WeakPolarHBondContact CA-O 3.3Å; A155-F182 HydrophobicContact CB-CB 4.33Å; A155-F182 HydrophobicContact CB-CD2 4.19Å; A155-F182 PolarHBondContact N-O 3.12Å; A155-F182 PolarHBondContact O-N 2.68Å; A157-F182 HydrophobicContact CB-CE2 4.31Å; W165-F182 AromaticContact CH2-CD2 3.98Å; W165-F182 HydrophobicContact CH2-CD2 3.98Å; W165-F182 AromaticContact CH2-CE2 3.78Å; W165-F182 HydrophobicContact CH2-CE2 3.78Å; W165-F182 HydrophobicContact CZ3-CD2 4.07Å; W165-F182 AromaticContact CZ3-CE2 3.63Å; W165-F182 HydrophobicContact CZ3-CE2 3.63Å; W165-F182 HydrophobicContact CZ3-CZ 4.35Å; Y166-F182 HydrophobicContact CD2-CZ 4.01Å; Y166-F182 AromaticContact CE2-CZ 3.82Å; Y166-F182 HydrophobicContact CE2-CZ 3.82Å; V180-F182 HydrophobicContact CB-CE2 4.4Å; V180-F182 HydrophobicContact CB-CZ 4.4Å; V180-F182 HydrophobicContact CG1-CE1 4.06Å; V180-F182 HydrophobicContact CG1-CE2 3.83Å; V180-F182 HydrophobicContact CG1-CZ 3.48Å; V180-F182 VanDerWaalsContact CG1-CZ 3.48Å; F182-V189 HydrophobicContact CB-CG1 4.04Å; F182-L190 CarbonylContact C-O 3.53Å; F182-L190 WeakPolarHBondContact CA-O 3.08Å; F182-E191 HydrophobicContact CD1-CB 4.05Å; F182-E191 HydrophobicContact CD1-CG 3.93Å; F182-E191 HydrophobicContact CE1-CB 4.18Å; F182-E191 HydrophobicContact CE1-CG 3.61Å; F182-E191 WeakPolarHBondContact CE1-OE2 3.39Å; F182-E191 HydrophobicContact CZ-CG 4.4Å |
| 183 | L | 94.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109.3 | -176.8 | -60.8 | -179.4 | 0 | 0 | 0 | 109.6 | H154 V181 C185 V189 L190 L205 L208 L212 | H154-L183 HydrophobicContact CB-CD2 3.4Å; V181-L183 HydrophobicContact CG1-CD2 3.8Å; V181-L183 HydrophobicContact CG1-CG 4Å; L183-C185 PolarHBondContact O-N 2.94Å; L183-V189 WeakPolarHBondContact O-CA 3.23Å; L183-L190 HydrophobicContact CB-CB 4.31Å; L183-L190 HydrophobicContact CD1-CD2 4.36Å; L183-L190 PolarHBondContact N-O 3.39Å; L183-L190 PolarHBondContact O-N 3Å; L183-L205 HydrophobicContact CD2-CD2 4.1Å; L183-L208 HydrophobicContact CD1-CB 3.47Å; L183-L208 VanDerWaalsContact CD1-CB 3.47Å; L183-L208 HydrophobicContact CD1-CD1 3.73Å; L183-L208 HydrophobicContact CD1-CG 4.14Å; L183-L212 HydrophobicContact CB-CD1 4.4Å; L183-L212 HydrophobicContact CD1-CD1 4.31Å |
| 184 | P | 92.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 25.8 Ų | 25.8 | 28% | 0.279 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.9 | 173.1 | 27.5 | -31.2 | 0 | 0 | 0 | 109.2 | R153 | R153-P184 WeakPolarHBondContact O-CD 3.48Å |
| 185 | C | 89.4 | Confident | 94 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 28% | 0.277 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 177.7 | -179.5 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | L183 G187 G188 L212 | L183-C185 PolarHBondContact O-N 2.94Å; C185-G187 PolarHBondContact O-N 2.9Å; C185-G187 VanDerWaalsContact O-N 3.09Å; C185-G188 CarbonylContact C-O 3.58Å; C185-G188 PolarHBondContact N-O 2.85Å; C185-G188 PolarHBondContact O-N 2.89Å; C185-L212 HydrophobicContact CB-CD1 4.12Å |
| 186 | K | 86.1 | Confident | 94 | Very high | 208 Ų | 208 | 28.1 Ų | 28.1 | 90% | 0.904 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 119 | -175.7 | -174 | 177.7 | -180 | 176.9 | 0 | 110.5 | ||
| 187 | G | 86.8 | Confident | 94.1 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 12.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E62 C185 | E62-G187 PolarHBondContact N-O 2.86Å; C185-G187 PolarHBondContact O-N 2.9Å; C185-G187 VanDerWaalsContact O-N 3.09Å |
| 188 | G | 91.5 | Very high | 94 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | -156.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | W60 C185 | W60-G188 CarbonylContact O-C 3.49Å; W60-G188 WeakPolarHBondContact O-CA 3.29Å; C185-G188 CarbonylContact C-O 3.58Å; C185-G188 PolarHBondContact N-O 2.85Å; C185-G188 PolarHBondContact O-N 2.89Å |
| 189 | V | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.7 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | W60 L71 P145 A148 L149 F182 L183 | W60-V189 HydrophobicContact CB-CB 4.37Å; W60-V189 WeakPolarHBondContact CB-O 3.47Å; W60-V189 PolarHBondContact N-O 2.83Å; W60-V189 PolarHBondContact O-N 3.21Å; L71-V189 HydrophobicContact CD1-CB 4.34Å; L71-V189 HydrophobicContact CD1-CG2 3.83Å; L71-V189 HydrophobicContact CD2-CG2 4.31Å; P145-V189 HydrophobicContact CB-CB 4.44Å; P145-V189 HydrophobicContact CB-CG1 4.45Å; A148-V189 HydrophobicContact CB-CG1 4.01Å; A148-V189 HydrophobicContact CB-CG2 4.5Å; L149-V189 HydrophobicContact CB-CG2 3.91Å; L149-V189 HydrophobicContact CD1-CG2 4.46Å; F182-V189 HydrophobicContact CB-CG1 4.04Å; L183-V189 WeakPolarHBondContact O-CA 3.23Å |
| 190 | L | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.4 | 169 | 178.6 | 74 | 0 | 0 | 0 | 109.7 | L44 L47 F182 L183 L192 L212 | L44-L190 HydrophobicContact CD2-CD1 3.32Å; L47-L190 HydrophobicContact CD2-CD2 3.6Å; F182-L190 CarbonylContact C-O 3.53Å; F182-L190 WeakPolarHBondContact CA-O 3.08Å; L183-L190 HydrophobicContact CB-CB 4.31Å; L183-L190 HydrophobicContact CD1-CD2 4.36Å; L183-L190 PolarHBondContact N-O 3.39Å; L183-L190 PolarHBondContact O-N 3Å; L190-L192 HydrophobicContact CD2-CD1 3.87Å; L190-L192 HydrophobicContact CD2-CD2 4.27Å; L190-L192 HydrophobicContact CD2-CG 3.94Å; L190-L192 HydrophobicContact CG-CG 4.17Å; L190-L212 HydrophobicContact CB-CD1 4.03Å; L190-L212 HydrophobicContact CB-CD2 4.36Å; L190-L212 HydrophobicContact CD2-CD1 3.73Å; L190-L212 HydrophobicContact CD2-CD2 3.79Å; L190-L212 HydrophobicContact CD2-CG 3.92Å; L190-L212 HydrophobicContact CG-CD1 4.49Å; L190-L212 HydrophobicContact CG-CD2 4.44Å |
| 191 | E | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.3 | 168.2 | 179.6 | 179.1 | 155.5 | 0 | 0 | 110.4 | Y56 G57 I58 W60 Y129 R168 V180 V181 F182 | Y56-E191 HydrophobicContact CE2-CG 4Å; Y56-E191 PolarHBondContact OH-OE1 3.26Å; G57-E191 CarbonylContact C-O 3.59Å; G57-E191 VanDerWaalsContact CA-O 3.31Å; G57-E191 WeakPolarHBondContact CA-O 3.47Å; I58-E191 HydrophobicContact CB-CB 4.33Å; I58-E191 PolarHBondContact N-O 2.88Å; I58-E191 PolarHBondContact O-N 3.27Å; W60-E191 PolarHBondContact NE1-OE2 2.9Å; Y129-E191 PolarHBondContact OH-OE1 2.92Å; R168-E191 IonicContact CZ-OE1 3.42Å; R168-E191 IonicContact CZ-OE2 3.61Å; R168-E191 IonicContact NH2-OE1 2.87Å; R168-E191 PolarHBondContact NH2-OE1 3.02Å; R168-E191 IonicContact NH2-OE2 3.6Å; R168-E191 PolarHBondContact NH2-OE2 3.09Å; V180-E191 HydrophobicContact CG1-CG 3.82Å; V181-E191 CarbonylContact O-C 3.5Å; V181-E191 VanDerWaalsContact O-CA 3.27Å; V181-E191 WeakPolarHBondContact O-CA 3.31Å; F182-E191 HydrophobicContact CD1-CB 4.05Å; F182-E191 HydrophobicContact CD1-CG 3.93Å; F182-E191 HydrophobicContact CE1-CB 4.18Å; F182-E191 HydrophobicContact CE1-CG 3.61Å; F182-E191 WeakPolarHBondContact CE1-OE2 3.39Å; F182-E191 HydrophobicContact CZ-CG 4.4Å |
| 192 | L | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 126.4 | 174.2 | -66.3 | 165.7 | 0 | 0 | 0 | 109.8 | L47 W54 V180 V181 L190 L208 | L47-L192 HydrophobicContact CD2-CD1 4.03Å; L47-L192 HydrophobicContact CD2-CD2 3.71Å; L47-L192 HydrophobicContact CD2-CG 4.39Å; L47-L192 HydrophobicContact CG-CD2 4.13Å; W54-L192 HydrophobicContact CD2-CB 3.99Å; W54-L192 HydrophobicContact CD2-CD1 4.16Å; W54-L192 HydrophobicContact CD2-CD2 4.44Å; W54-L192 HydrophobicContact CD2-CG 4.45Å; W54-L192 HydrophobicContact CE3-CB 3.61Å; W54-L192 HydrophobicContact CE3-CD1 4.48Å; W54-L192 HydrophobicContact CG-CD2 4.29Å; W54-L192 HydrophobicContact CH2-CB 4.43Å; W54-L192 HydrophobicContact CH2-CD1 4.47Å; W54-L192 HydrophobicContact CZ2-CD1 4.16Å; W54-L192 HydrophobicContact CZ3-CB 3.85Å; V180-L192 CarbonylContact C-O 3.57Å; V180-L192 VanDerWaalsContact CA-O 3.29Å; V180-L192 WeakPolarHBondContact CA-O 3.41Å; V181-L192 PolarHBondContact N-O 3.22Å; V181-L192 PolarHBondContact O-N 3.1Å; L190-L192 HydrophobicContact CD2-CD1 3.87Å; L190-L192 HydrophobicContact CD2-CD2 4.27Å; L190-L192 HydrophobicContact CD2-CG 3.94Å; L190-L192 HydrophobicContact CG-CG 4.17Å; L192-L208 HydrophobicContact CD1-CD1 4.05Å; L192-L208 HydrophobicContact CD1-CD2 3.42Å; L192-L208 VanDerWaalsContact CD1-CD2 3.42Å; L192-L208 HydrophobicContact CD1-CG 4.3Å |
| 193 | G | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T55 Y56 T179 | T55-G193 WeakPolarHBondContact CB-O 3.48Å; T55-G193 PolarHBondContact N-O 2.95Å; Y56-G193 VanDerWaalsContact CE1-CA 3.45Å; Y56-G193 PolarHBondContact N-O 3.39Å; Y56-G193 PolarHBondContact O-N 3.3Å; T179-G193 WeakPolarHBondContact O-CA 3.16Å |
| 194 | S | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.5 | 174.9 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | A53 L177 R178 T179 V196 V198 | A53-S194 WeakPolarHBondContact O-CB 3.32Å; A53-S194 PolarHBondContact O-OG 2.7Å; L177-S194 WeakPolarHBondContact CA-O 3.29Å; R178-S194 PolarHBondContact N-O 3.22Å; T179-S194 PolarHBondContact N-O 3.02Å; T179-S194 PolarHBondContact O-N 2.69Å; S194-V196 WeakPolarHBondContact CB-O 3.43Å; S194-V196 PolarHBondContact O-N 2.85Å; S194-V196 WeakPolarHBondContact OG-CG2 3.07Å; S194-V196 PolarHBondContact OG-N 3.46Å; S194-V196 VanDerWaalsContact OG-N 3.09Å; S194-V196 PolarHBondContact OG-O 2.83Å; S194-V196 VanDerWaalsContact OG-O 3.06Å; S194-V198 WeakPolarHBondContact OG-CG2 3.29Å |
| 195 | A | 93.6 | Very high | 92.3 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -71.7 | -7.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | T55 G176 R178 | T55-A195 PolarHBondContact OG1-N 2.7Å; G176-A195 WeakPolarHBondContact O-CA 3.45Å; R178-A195 WeakPolarHBondContact CG-O 3.48Å |
| 196 | V | 93.2 | Very high | 92.2 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 45% | 0.448 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -116.8 | 154.5 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 111 | A53 T179 S194 V198 | A53-V196 HydrophobicContact CB-CG2 4.34Å; T179-V196 PolarHBondContact OG1-O 2.9Å; S194-V196 WeakPolarHBondContact CB-O 3.43Å; S194-V196 PolarHBondContact O-N 2.85Å; S194-V196 WeakPolarHBondContact OG-CG2 3.07Å; S194-V196 PolarHBondContact OG-N 3.46Å; S194-V196 VanDerWaalsContact OG-N 3.09Å; S194-V196 PolarHBondContact OG-O 2.83Å; S194-V196 VanDerWaalsContact OG-O 3.06Å; V196-V198 HydrophobicContact CG2-CG2 4.37Å; V196-V198 PolarHBondContact O-N 3.43Å |
| 197 | P | 94.5 | Very high | 92.2 | Very high | 103 Ų | 103 | 52.2 Ų | 52.2 | 67% | 0.669 | 29% | 0.285 | S | S | * | . | trans | -62 | 119.6 | 170.3 | -21.3 | 34 | 0 | 0 | 0 | 110.1 | R178 T179 | R178-P197 HydrophobicContact CB-CG 4.21Å; T179-P197 VanDerWaalsContact OG1-CA 3.3Å; T179-P197 WeakPolarHBondContact OG1-CA 3.38Å | ||
| 198 | V | 93.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | trans | -110.3 | 119.1 | 174.6 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | A53 W54 W156 T179 S194 V196 | A53-V198 HydrophobicContact CB-CG2 4.06Å; W54-V198 HydrophobicContact CH2-CB 4.3Å; W54-V198 HydrophobicContact CH2-CG1 3.98Å; W54-V198 HydrophobicContact CH2-CG2 4.28Å; W54-V198 HydrophobicContact CZ2-CG1 4.38Å; W54-V198 HydrophobicContact CZ3-CG2 4.18Å; W156-V198 HydrophobicContact CZ2-CB 4.4Å; W156-V198 HydrophobicContact CZ2-CG1 3.96Å; W156-V198 PolarHBondContact NE1-O 2.94Å; T179-V198 HydrophobicContact CG2-CB 4.12Å; T179-V198 PolarHBondContact OG1-N 2.79Å; S194-V198 WeakPolarHBondContact OG-CG2 3.29Å; V196-V198 HydrophobicContact CG2-CG2 4.37Å; V196-V198 PolarHBondContact O-N 3.43Å | ||
| 199 | R | 92.7 | Very high | 91.9 | Very high | 206 Ų | 206 | 55.9 Ų | 55.9 | 78% | 0.777 | 29% | 0.293 | S | S | * | . | trans | -74.8 | 135.1 | 179.4 | -173.1 | 176.8 | 179.5 | 164.9 | 0.8 | 110.1 | T201 T204 | R199-T201 HydrophobicContact CB-CG2 4.21Å; R199-T201 HydrophobicContact CG-CG2 3.9Å; R199-T201 PolarHBondContact O-N 2.97Å; R199-T204 PolarHBondContact O-OG1 3.49Å | ||
| 200 | E | 93 | Very high | 91.3 | Very high | 94 Ų | 94 | 59.4 Ų | 59.4 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -68.2 | 110.9 | 168.4 | -175.6 | 176.7 | 169.1 | 0 | 0 | 109.5 | H154 W156 L205 | H154-E200 IonicContact CD2-OE1 3.9Å; H154-E200 PolarHBondContact CD2-OE1 3.37Å; H154-E200 IonicContact CE1-OE1 3.82Å; H154-E200 IonicContact NE2-OE1 2.73Å; H154-E200 PolarHBondContact NE2-OE1 3.2Å; W156-E200 HydrophobicContact CD2-CB 3.65Å; W156-E200 HydrophobicContact CD2-CG 3.96Å; W156-E200 HydrophobicContact CE3-CB 3.77Å; W156-E200 HydrophobicContact CE3-CG 3.54Å; W156-E200 HydrophobicContact CG-CB 4.07Å; W156-E200 HydrophobicContact CH2-CB 4.38Å; W156-E200 HydrophobicContact CZ2-CB 4.28Å; W156-E200 HydrophobicContact CZ3-CB 4.14Å; W156-E200 HydrophobicContact CZ3-CG 3.86Å; E200-L205 HydrophobicContact CG-CD1 4.21Å | ||
| 201 | T | 91.9 | Very high | 90.4 | Very high | 32 Ų | 32 | 61 Ų | 61 | 20% | 0.196 | 33% | 0.327 | C | S | . | . | trans | -133.6 | 155.4 | 174.6 | 80.8 | 0 | 0 | 0 | 0 | 110.6 | R199 E203 T204 L205 | R199-T201 HydrophobicContact CB-CG2 4.21Å; R199-T201 HydrophobicContact CG-CG2 3.9Å; R199-T201 PolarHBondContact O-N 2.97Å; T201-E203 WeakPolarHBondContact CB-OE2 3.18Å; T201-E203 PolarHBondContact O-N 3.13Å; T201-E203 PolarHBondContact OG1-N 3.2Å; T201-E203 PolarHBondContact OG1-OE2 2.9Å; T201-T204 PolarHBondContact N-OG1 3.46Å; T201-T204 PolarHBondContact O-N 3.11Å; T201-T204 PolarHBondContact O-OG1 3.48Å; T201-T204 PolarHBondContact OG1-N 3.06Å; T201-T204 PolarHBondContact OG1-OG1 3.12Å; T201-L205 PolarHBondContact O-N 2.88Å | ||
| 202 | P | 90.4 | Very high | 89.3 | Confident | 83 Ų | 83 | 63.2 Ų | 63.2 | 54% | 0.539 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.7 | -32.4 | 175.3 | -25.1 | 35.3 | 0 | 0 | 0 | 113.2 | R206 | P202-R206 WeakPolarHBondContact O-CB 3.44Å; P202-R206 PolarHBondContact O-N 2.68Å |
| 203 | E | 89.1 | Confident | 87.9 | Confident | 119 Ų | 119 | 67 Ų | 67 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -71.1 | -44.5 | 179.6 | -57 | 69.1 | -144.1 | 0 | 0 | 111.5 | T201 R206 A207 | T201-E203 WeakPolarHBondContact CB-OE2 3.18Å; T201-E203 PolarHBondContact O-N 3.13Å; T201-E203 PolarHBondContact OG1-N 3.2Å; T201-E203 PolarHBondContact OG1-OE2 2.9Å; E203-R206 PolarHBondContact O-N 2.7Å; E203-A207 WeakPolarHBondContact O-CB 3.38Å; E203-A207 PolarHBondContact O-N 2.77Å |
| 204 | T | 88.3 | Confident | 85.5 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | R199 T201 R206 A207 L208 | R199-T204 PolarHBondContact O-OG1 3.49Å; T201-T204 PolarHBondContact N-OG1 3.46Å; T201-T204 PolarHBondContact O-N 3.11Å; T201-T204 PolarHBondContact O-OG1 3.48Å; T201-T204 PolarHBondContact OG1-N 3.06Å; T201-T204 PolarHBondContact OG1-OG1 3.12Å; T204-R206 PolarHBondContact O-N 2.83Å; T204-A207 PolarHBondContact O-N 2.79Å; T204-L208 VanDerWaalsContact O-CG 3.28Å; T204-L208 WeakPolarHBondContact O-CG 3.36Å; T204-L208 PolarHBondContact O-N 3.43Å |
| 205 | L | 88.8 | Confident | 83 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 11% | 0.105 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 174.4 | -77.8 | 168.8 | 0 | 0 | 0 | 112.4 | H154 W156 L183 E200 T201 A207 L208 Q209 | H154-L205 HydrophobicContact CB-CD2 4.33Å; W156-L205 HydrophobicContact CE3-CD2 4.28Å; W156-L205 HydrophobicContact CZ3-CD2 3.61Å; W156-L205 HydrophobicContact CZ3-CG 3.88Å; L183-L205 HydrophobicContact CD2-CD2 4.1Å; E200-L205 HydrophobicContact CG-CD1 4.21Å; T201-L205 PolarHBondContact O-N 2.88Å; L205-A207 VanDerWaalsContact C-N 3.33Å; L205-A207 PolarHBondContact O-N 2.79Å; L205-L208 PolarHBondContact O-N 3.5Å; L205-Q209 WeakPolarHBondContact O-CB 3.36Å; L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.49Å; L205-Q209 PolarHBondContact O-N 2.73Å |
| 206 | R | 87.6 | Confident | 80.1 | Confident | 155 Ų | 155 | 82.3 Ų | 82.3 | 59% | 0.585 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 178.3 | -172.7 | -179.7 | -62.6 | 137.2 | 2.8 | 111.7 | P202 E203 T204 T210 | P202-R206 WeakPolarHBondContact O-CB 3.44Å; P202-R206 PolarHBondContact O-N 2.68Å; E203-R206 PolarHBondContact O-N 2.7Å; T204-R206 PolarHBondContact O-N 2.83Å; R206-T210 VanDerWaalsContact O-CB 3.27Å; R206-T210 WeakPolarHBondContact O-CB 3.29Å; R206-T210 PolarHBondContact O-N 2.89Å; R206-T210 PolarHBondContact O-OG1 2.89Å |
| 207 | A | 85.9 | Confident | 77.3 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 49% | 0.488 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E203 T204 L205 T210 A211 | E203-A207 WeakPolarHBondContact O-CB 3.38Å; E203-A207 PolarHBondContact O-N 2.77Å; T204-A207 PolarHBondContact O-N 2.79Å; L205-A207 VanDerWaalsContact C-N 3.33Å; L205-A207 PolarHBondContact O-N 2.79Å; A207-T210 PolarHBondContact O-N 3.25Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 2.76Å |
| 208 | L | 86.7 | Confident | 74.5 | Confident | 6 Ų | 6 | 84.2 Ų | 84.2 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 177.6 | -64.4 | 176.7 | 0 | 0 | 0 | 112.5 | L47 W54 W156 L183 L192 T204 L205 T210 A211 L212 | L47-L208 HydrophobicContact CD1-CD2 3.82Å; W54-L208 HydrophobicContact CH2-CD1 4.3Å; W54-L208 HydrophobicContact CZ2-CD1 3.85Å; W54-L208 HydrophobicContact CZ2-CD2 3.8Å; W54-L208 HydrophobicContact CZ2-CG 4.3Å; W156-L208 HydrophobicContact CH2-CD1 4.42Å; L183-L208 HydrophobicContact CD1-CB 3.47Å; L183-L208 VanDerWaalsContact CD1-CB 3.47Å; L183-L208 HydrophobicContact CD1-CD1 3.73Å; L183-L208 HydrophobicContact CD1-CG 4.14Å; L192-L208 HydrophobicContact CD1-CD1 4.05Å; L192-L208 HydrophobicContact CD1-CD2 3.42Å; L192-L208 VanDerWaalsContact CD1-CD2 3.42Å; L192-L208 HydrophobicContact CD1-CG 4.3Å; T204-L208 VanDerWaalsContact O-CG 3.28Å; T204-L208 WeakPolarHBondContact O-CG 3.36Å; T204-L208 PolarHBondContact O-N 3.43Å; L205-L208 PolarHBondContact O-N 3.5Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.18Å; L208-A211 PolarHBondContact O-N 2.85Å; L208-L212 PolarHBondContact O-N 2.8Å; L208-L212 VanDerWaalsContact O-N 3.09Å |
| 209 | Q | 85.5 | Confident | 71.8 | Confident | 108 Ų | 108 | 86 Ų | 86 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 175.8 | -73.1 | 172.8 | -14.4 | 0 | 0 | 111.6 | L205 L212 A213 | L205-Q209 WeakPolarHBondContact O-CB 3.36Å; L205-Q209 VanDerWaalsContact O-CG 3.3Å; L205-Q209 WeakPolarHBondContact O-CG 3.49Å; L205-Q209 PolarHBondContact O-N 2.73Å; Q209-L212 PolarHBondContact O-N 2.88Å; Q209-A213 VanDerWaalsContact O-CB 3.23Å; Q209-A213 WeakPolarHBondContact O-CB 3.08Å; Q209-A213 PolarHBondContact O-N 3.4Å |
| 210 | T | 82 | Confident | 69.2 | Low | 73 Ų | 73 | 86.4 Ų | 86.4 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | R206 A207 L208 L212 A213 V214 | R206-T210 VanDerWaalsContact O-CB 3.27Å; R206-T210 WeakPolarHBondContact O-CB 3.29Å; R206-T210 PolarHBondContact O-N 2.89Å; R206-T210 PolarHBondContact O-OG1 2.89Å; A207-T210 PolarHBondContact O-N 3.25Å; L208-T210 VanDerWaalsContact C-N 3.3Å; L208-T210 PolarHBondContact O-N 3.18Å; T210-L212 PolarHBondContact O-N 3.06Å; T210-A213 PolarHBondContact O-N 3.29Å; T210-A213 VanDerWaalsContact O-N 3.14Å; T210-V214 HydrophobicContact CG2-CG2 4.01Å; T210-V214 WeakPolarHBondContact O-CG2 3.5Å; T210-V214 PolarHBondContact O-N 2.88Å |
| 211 | A | 76.6 | Confident | 66.7 | Low | 34 Ų | 34 | 90.8 Ų | 90.8 | 28% | 0.281 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -32.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L47 A207 L208 | L47-A211 HydrophobicContact CD1-CB 3.74Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 2.76Å; L208-A211 PolarHBondContact O-N 2.85Å |
| 212 | L | 71.9 | Confident | 64.2 | Low | 48 Ų | 48 | 97.1 Ų | 97.1 | 25% | 0.251 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -80.4 | -35.1 | 174.7 | -74.3 | 176.9 | 0 | 0 | 0 | 113.9 | L183 C185 L190 L208 Q209 T210 | L183-L212 HydrophobicContact CB-CD1 4.4Å; L183-L212 HydrophobicContact CD1-CD1 4.31Å; C185-L212 HydrophobicContact CB-CD1 4.12Å; L190-L212 HydrophobicContact CB-CD1 4.03Å; L190-L212 HydrophobicContact CB-CD2 4.36Å; L190-L212 HydrophobicContact CD2-CD1 3.73Å; L190-L212 HydrophobicContact CD2-CD2 3.79Å; L190-L212 HydrophobicContact CD2-CG 3.92Å; L190-L212 HydrophobicContact CG-CD1 4.49Å; L190-L212 HydrophobicContact CG-CD2 4.44Å; L208-L212 PolarHBondContact O-N 2.8Å; L208-L212 VanDerWaalsContact O-N 3.09Å; Q209-L212 PolarHBondContact O-N 2.88Å; T210-L212 PolarHBondContact O-N 3.06Å |
| 213 | A | 68.2 | Low | 61.6 | Low | 80 Ų | 80 | 96 Ų | 96 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -81.6 | -17.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q209 T210 A215 | Q209-A213 VanDerWaalsContact O-CB 3.23Å; Q209-A213 WeakPolarHBondContact O-CB 3.08Å; Q209-A213 PolarHBondContact O-N 3.4Å; T210-A213 PolarHBondContact O-N 3.29Å; T210-A213 VanDerWaalsContact O-N 3.14Å; A213-A215 VanDerWaalsContact C-N 3.3Å; A213-A215 PolarHBondContact O-N 3.46Å |
| 214 | V | 45.6 | Very low | 59 | Low | 100 Ų | 100 | 97.2 Ų | 97.2 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | trans | -73.9 | 82.8 | 178.2 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | T210 | T210-V214 HydrophobicContact CG2-CG2 4.01Å; T210-V214 WeakPolarHBondContact O-CG2 3.5Å; T210-V214 PolarHBondContact O-N 2.88Å | ||
| 215 | A | 42.7 | Very low | 56.8 | Low | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | trans | -163.9 | 67.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A213 | A213-A215 VanDerWaalsContact C-N 3.3Å; A213-A215 PolarHBondContact O-N 3.46Å | ||
| 216 | R | 33.7 | Very low | 54.4 | Low | 216 Ų | 216 | 108.3 Ų | 108.3 | 82% | 0.815 | 56% | 0.564 | S | S | * | * | trans | -105.2 | 113.7 | 132 | -153.3 | 169.4 | 76.6 | 164.7 | 2.2 | 104.1 | ||||
| 217 | P | 35.3 | Very low | 53 | Low | 98 Ų | 98 | 110.9 Ų | 110.9 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 146.3 | 159.2 | 22.2 | -30 | 0 | 0 | 0 | 106.4 | A219 | P217-A219 PolarHBondContact O-N 3.32Š|
| 218 | P | 35.5 | Very low | 51.3 | Low | 120 Ų | 120 | 110.9 Ų | 110.9 | 78% | 0.779 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 118.1 | 167.7 | 23.6 | -31.2 | 0 | 0 | 0 | 104 | R220 | P218-R220 VanDerWaalsContact C-N 3.34Å; P218-R220 PolarHBondContact O-N 2.93Å |
| 219 | A | 36.2 | Very low | 49.3 | Very low | 61 Ų | 61 | 117.7 Ų | 117.7 | 50% | 0.504 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -48.1 | 118.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 101.9 | P217 E221 | P217-A219 PolarHBondContact O-N 3.32Å; A219-E221 VanDerWaalsContact C-N 3.28Å; A219-E221 PolarHBondContact O-N 3.38Å |
| 220 | R | 37.1 | Very low | 47 | Very low | 215 Ų | 215 | 117.2 Ų | 117.2 | 81% | 0.811 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 119.6 | 157.4 | -76.6 | 179.7 | 169.2 | 164.8 | -2.3 | 101.9 | P218 E222 | P218-R220 VanDerWaalsContact C-N 3.34Å; P218-R220 PolarHBondContact O-N 2.93Å; R220-E222 HydrophobicContact CB-CG 4.36Å; R220-E222 PolarHBondContact O-N 3.27Å |
| 221 | E | 42.2 | Very low | 45.2 | Very low | 185 Ų | 185 | 120.9 Ų | 120.9 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | trans | -59.8 | 78.9 | 168.9 | -72.1 | 172.8 | 162.2 | 0 | 0 | 104 | A219 C223 | A219-E221 VanDerWaalsContact C-N 3.28Å; A219-E221 PolarHBondContact O-N 3.38Å; E221-C223 PolarHBondContact O-N 2.89Å | ||
| 222 | E | 37.7 | Very low | 43.7 | Very low | 165 Ų | 165 | 123.3 Ų | 123.3 | 77% | 0.771 | 65% | 0.648 | S | S | * | * | trans | -71.5 | 74.3 | 159.8 | -77.7 | -174.4 | 169.2 | 0 | 0 | 102.2 | R220 M224 | R220-E222 HydrophobicContact CB-CG 4.36Å; R220-E222 PolarHBondContact O-N 3.27Å; E222-M224 PolarHBondContact O-N 3.42Å | ||
| 223 | C | 36.2 | Very low | 42.1 | Very low | 59 Ų | 59 | 127.7 Ų | 127.7 | 40% | 0.399 | 68% | 0.68 | S | S | . | * | trans | -46.2 | 106.1 | 150.1 | -85.8 | 0 | 0 | 0 | 0 | 104.5 | E221 R225 D230 | E221-C223 PolarHBondContact O-N 2.89Å; C223-R225 VanDerWaalsContact C-N 3.28Å; C223-R225 WeakPolarHBondContact O-CG 3.46Å; C223-R225 PolarHBondContact O-N 3.12Å; C223-D230 VanDerWaalsContact CB-OD1 3.22Å; C223-D230 WeakPolarHBondContact CB-OD1 3.43Å; C223-D230 PolarHBondContact SG-OD1 2.96Å | ||
| 224 | M | 35 | Very low | 40.4 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 72% | 0.719 | 68% | 0.678 | S | S | * | * | trans | -63.8 | 95.6 | -176.1 | -177.2 | 166.3 | 55.7 | 0 | 0 | 106.7 | E222 I226 | E222-M224 PolarHBondContact O-N 3.42Å; M224-I226 HydrophobicContact CE-CD1 3.99Å; M224-I226 HydrophobicContact CG-CD1 4.09Å; M224-I226 HydrophobicContact CG-CG1 3.87Å; M224-I226 PolarHBondContact O-N 3.35Å; M224-I226 HydrophobicContact SD-CD1 4.18Å | ||
| 225 | R | 42 | Very low | 39.5 | Very low | 201 Ų | 201 | 126.2 Ų | 126.2 | 76% | 0.758 | 69% | 0.692 | S | S | * | * | trans | -74.3 | 94.7 | 178.9 | -67 | -162.5 | -64.5 | 171.9 | -1.8 | 107.9 | C223 | C223-R225 VanDerWaalsContact C-N 3.28Å; C223-R225 WeakPolarHBondContact O-CG 3.46Å; C223-R225 PolarHBondContact O-N 3.12Å | ||
| 226 | I | 39.2 | Very low | 39.1 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 47% | 0.467 | 71% | 0.706 | S | S | . | * | B | Isolated β-bridge | trans | -94.8 | 122.3 | 168.3 | -55.8 | 178.2 | 0 | 0 | 0 | 106.5 | M224 G228 Q229 | M224-I226 HydrophobicContact CE-CD1 3.99Å; M224-I226 HydrophobicContact CG-CD1 4.09Å; M224-I226 HydrophobicContact CG-CG1 3.87Å; M224-I226 PolarHBondContact O-N 3.35Å; M224-I226 HydrophobicContact SD-CD1 4.18Å; I226-G228 PolarHBondContact O-N 3.39Å; I226-G228 VanDerWaalsContact O-N 3.09Å; I226-Q229 PolarHBondContact O-N 2.9Å |
| 227 | F | 57.8 | Low | 38.8 | Very low | 209 Ų | 209 | 123.5 Ų | 123.5 | 92% | 0.917 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.9 | 25.1 | -173.2 | -55.6 | -67.9 | 0 | 0 | 0 | 115.5 | Q229 | F227-Q229 VanDerWaalsContact C-N 3.3Å; F227-Q229 PolarHBondContact O-N 2.88Å |
| 228 | G | 50.6 | Low | 38.6 | Very low | 58 Ų | 58 | 130.1 Ų | 130.1 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.3 | 10.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I226 | I226-G228 PolarHBondContact O-N 3.39Å; I226-G228 VanDerWaalsContact O-N 3.09Å |
| 229 | Q | 44.6 | Very low | 38.2 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | B | Isolated β-bridge | trans | -109.7 | 145.4 | 172 | -73.2 | -156.8 | -25.8 | 0 | 0 | 112.4 | I226 F227 | I226-Q229 PolarHBondContact O-N 2.9Å; F227-Q229 VanDerWaalsContact C-N 3.3Å; F227-Q229 PolarHBondContact O-N 2.88Å |
| 230 | D | 37.7 | Very low | 37.8 | Very low | 98 Ų | 98 | 131.7 Ų | 131.7 | 52% | 0.524 | 74% | 0.735 | S | S | . | * | trans | -97.6 | 115.7 | -174.3 | -153.5 | 0.9 | 0 | 0 | 0 | 108.8 | C223 S232 | C223-D230 VanDerWaalsContact CB-OD1 3.22Å; C223-D230 WeakPolarHBondContact CB-OD1 3.43Å; C223-D230 PolarHBondContact SG-OD1 2.96Å; D230-S232 VanDerWaalsContact C-N 3.34Å; D230-S232 PolarHBondContact O-N 3.43Å | ||
| 231 | L | 44.1 | Very low | 37.5 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -92.6 | 67.9 | -177.1 | -63.7 | 178.1 | 0 | 0 | 0 | 110.1 | P233 | L231-P233 WeakPolarHBondContact O-CD 3.43Š| ||
| 232 | S | 45 | Very low | 36.9 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -89.1 | 113.3 | 165.5 | -65.1 | 0 | 0 | 0 | 0 | 109.2 | D230 G234 | D230-S232 VanDerWaalsContact C-N 3.34Å; D230-S232 PolarHBondContact O-N 3.43Å; S232-G234 PolarHBondContact O-N 2.84Å | ||
| 233 | P | 37.3 | Very low | 36.3 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | trans | -78.8 | 69.2 | 172.9 | 32.5 | -31.6 | 0 | 0 | 0 | 109.1 | L231 | L231-P233 WeakPolarHBondContact O-CD 3.43Š| ||
| 234 | G | 32.4 | Very low | 36 | Very low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 74% | 0.741 | S | S | * | * | trans | -119.6 | 102.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S232 S236 | S232-G234 PolarHBondContact O-N 2.84Å; G234-S236 PolarHBondContact O-N 3.05Å | ||
| 235 | G | 27 | Very low | 35.9 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | trans | -57 | 106.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 236 | S | 34.3 | Very low | 35 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -124.3 | 97.2 | 158.1 | -171.3 | 0 | 0 | 0 | 0 | 107.1 | G234 R238 | G234-S236 PolarHBondContact O-N 3.05Å; S236-R238 PolarHBondContact O-N 3.41Å | ||
| 237 | A | 28.8 | Very low | 34.6 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -55.8 | 101.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 238 | R | 29.2 | Very low | 33 | Very low | 236 Ų | 236 | 123.9 Ų | 123.9 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | -134.8 | 124.8 | 167.7 | -168 | 157.6 | 160.8 | 178.2 | -7.9 | 110.4 | S236 | S236-R238 PolarHBondContact O-N 3.41Š| ||
| 239 | A | 28.3 | Very low | 32 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | -51.9 | 150.6 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 240 | P | 28.5 | Very low | 31.5 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 133.6 | -173.4 | 31.4 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 241 | R | 30.5 | Very low | 30.9 | Very low | 250 Ų | 250 | 130.9 Ų | 130.9 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | trans | -103.1 | 112.6 | 164.7 | -77.7 | -172.1 | 164.1 | -168.2 | -5.2 | 109.2 | ||||
| 242 | S | 28.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | trans | -13.7 | 126.7 | 160.9 | -173 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 243 | V | 25.8 | Very low | 29.4 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | 44.1 | 117.7 | 102.9 | -141 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 244 | D | 30.8 | Very low | 28.9 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | -162.4 | 147.2 | 55.7 | -69.2 | -81.3 | 0 | 0 | 0 | 107 | |||||
| 245 | N | 31 | Very low | 28.9 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | 178.7 | 95.5 | 94.6 | -167.7 | 61.5 | 0 | 0 | 0 | 107.5 | |||||
| 246 | W | 24.7 | Very low | 28.7 | Very low | 207 Ų | 207 | 135.9 Ų | 135.9 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | -99.4 | 112 | 171.8 | 60.9 | -68.3 | 0 | 0 | 0 | 106.7 | P248 | W246-P248 HydrophobicContact CE3-CG 3.68Å; W246-P248 HydrophobicContact CZ3-CG 3.69Å | ||
| 247 | A | 29.4 | Very low | 28.2 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -110.9 | 107.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 248 | P | 26 | Very low | 28.2 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 44% | 0.435 | 77% | 0.771 | S | S | . | * | trans | -100.4 | 162.4 | 176.3 | 32.7 | -24.2 | 0 | 0 | 0 | 112.8 | W246 | W246-P248 HydrophobicContact CE3-CG 3.68Å; W246-P248 HydrophobicContact CZ3-CG 3.69Å | ||
| 249 | H | 28.2 | Very low | 27.9 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | 91.1 | 157 | 161.4 | -51.2 | -68.1 | 0 | 0 | 0 | 117.8 | ||||
| 250 | P | 35.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | cis | -135.2 | 153.6 | -14.7 | 18.9 | 5.6 | 0 | 0 | 0 | 115.5 | ||||
| 251 | H | 24.6 | Very low | 27.8 | Very low | 164 Ų | 164 | 131 Ų | 131 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | 43.8 | 96.8 | 123.5 | -136.9 | -55.7 | 0 | 0 | 0 | 118.9 | A253 | H251-A253 VanDerWaalsContact CE1-CB 3.42Å; H251-A253 WeakPolarHBondContact CE1-CB 3.37Å | |||
| 252 | L | 30.8 | Very low | 27.5 | Very low | 187 Ų | 187 | 127 Ų | 127 | 98% | 0.979 | 77% | 0.768 | S | S | * | * | trans | -116.9 | 96.6 | 150.1 | -139.7 | 86.7 | 0 | 0 | 0 | 108.2 | ||||
| 253 | A | 25.7 | Very low | 27.6 | Very low | 69 Ų | 69 | 127 Ų | 127 | 57% | 0.57 | 77% | 0.774 | S | S | * | * | trans | -110.6 | 120.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | H251 | H251-A253 VanDerWaalsContact CE1-CB 3.42Å; H251-A253 WeakPolarHBondContact CE1-CB 3.37Å | ||
| 254 | A | 28.5 | Very low | 27.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | 160.8 | 108.2 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 255 | Q | 30.6 | Very low | 27.8 | Very low | 201 Ų | 201 | 130.2 Ų | 130.2 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | -175 | 96.2 | 129.9 | -99.1 | 164.4 | 36.3 | 0 | 0 | 107.7 | |||||
| 256 | A | 23 | Very low | 27.6 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -87.6 | 161.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 257 | T | 24.9 | Very low | 27.5 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | 75.3 | 108.8 | 157.7 | 67.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 258 | A | 27.7 | Very low | 27.3 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | -165.8 | 123.7 | 120.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 259 | A | 23.5 | Very low | 27.5 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 157.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 260 | S | 24 | Very low | 27.6 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | 59.7 | 108.3 | 141.3 | -176.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 261 | A | 30.8 | Very low | 27.2 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -153.2 | 102.5 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 262 | L | 23.8 | Very low | 27.6 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 121.6 | 163.5 | -161 | 87 | 0 | 0 | 0 | 107.4 | ||||
| 263 | A | 30.2 | Very low | 27.6 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -146.1 | 94.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 264 | S | 27.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 127.8 Ų | 127.8 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -62.2 | 126.7 | 163.2 | -37.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 265 | K | 34.2 | Very low | 28.5 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -136.7 | 110.9 | 165.8 | -155.7 | 173.6 | -172.6 | -178.2 | 0 | 111 | ||||
| 266 | E | 25.6 | Very low | 28.9 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -0.5 | 121 | 146.3 | -67.7 | 174 | 145.9 | 0 | 0 | 115.7 | ||||
| 267 | A | 24 | Very low | 29.7 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | 75.4 | 121.6 | 78.4 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 268 | A | 25.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | 65.5 | 110.8 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 269 | A | 30 | Very low | 30.7 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | 163 | 141 | 122 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 270 | G | 29.1 | Very low | 31.4 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 128.3 | 84 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 271 | H | 27 | Very low | 31.7 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 90% | 0.903 | 83% | 0.825 | S | S | * | * | trans | -53.3 | 136 | 160.5 | -71.4 | -86.7 | 0 | 0 | 0 | 112.7 | ||||
| 272 | K | 33.4 | Very low | 31.7 | Very low | 199 Ų | 199 | 143 Ų | 143 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -164.1 | 103 | 136.2 | -132.2 | 176.2 | 179.8 | 179.3 | 0 | 110.1 | P274 | K272-P274 WeakPolarHBondContact O-CD 3.37Š| ||
| 273 | A | 31.3 | Very low | 32.1 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 274 | P | 42.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 130.5 | 165.9 | 12.3 | 6.1 | 0 | 0 | 0 | 109.7 | K272 | K272-P274 WeakPolarHBondContact O-CD 3.37Š|
| 275 | E | 30 | Very low | 32.2 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 152.6 | 176.7 | -82.1 | 178.7 | 144.7 | 0 | 0 | 113.9 | ||
| 276 | P | 38.8 | Very low | 32 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 150.9 | -174 | 29.9 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 277 | P | 41.1 | Very low | 32.3 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 149.9 | 175.2 | 29.1 | -32.3 | 0 | 0 | 0 | 113 | ||
| 278 | R | 36.9 | Very low | 32.5 | Very low | 238 Ų | 238 | 142.9 Ų | 142.9 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.1 | -166 | -63.9 | 169.3 | 174.8 | 163.7 | -3.2 | 113.7 | ||
| 279 | S | 34.8 | Very low | 32.7 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 130.6 | 172.1 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 280 | I | 38.9 | Very low | 32.6 | Very low | 141 Ų | 141 | 146 Ų | 146 | 72% | 0.723 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -92 | 121.3 | 173.5 | -64.4 | 167.8 | 0 | 0 | 0 | 108.1 | F282 | I280-F282 HydrophobicContact CG2-CE2 4.3Å; I280-F282 HydrophobicContact CG2-CZ 4.39Å; I280-F282 WeakPolarHBondContact O-CD2 3.17Å |
| 281 | D | 31.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.8 | -174.9 | -170.2 | -7.6 | 0 | 0 | 0 | 111 | S283 | D281-S283 WeakPolarHBondContact OD1-CB 3.1Å; D281-S283 PolarHBondContact OD1-OG 3.2Å |
| 282 | F | 30.3 | Very low | 32.6 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 83% | 0.833 | 82% | 0.82 | S | S | * | * | trans | -103.7 | 68.4 | 179.7 | -72.2 | -83.9 | 0 | 0 | 0 | 110.4 | I280 | I280-F282 HydrophobicContact CG2-CE2 4.3Å; I280-F282 HydrophobicContact CG2-CZ 4.39Å; I280-F282 WeakPolarHBondContact O-CD2 3.17Å | ||
| 283 | S | 31 | Very low | 32.3 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | trans | -133.1 | 82.9 | 179.5 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | D281 | D281-S283 WeakPolarHBondContact OD1-CB 3.1Å; D281-S283 PolarHBondContact OD1-OG 3.2Å | ||
| 284 | K | 31.3 | Very low | 32.2 | Very low | 207 Ų | 207 | 140 Ų | 140 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -160.1 | 110.7 | 155.2 | -112.5 | 172.9 | -168.5 | -178.6 | 0 | 112.6 | ||||
| 285 | P | 29.9 | Very low | 31.5 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -86.6 | 108.9 | 172.4 | 31.7 | -27.4 | 0 | 0 | 0 | 110 | ||||
| 286 | G | 30 | Very low | 31.6 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 123.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 287 | K | 31 | Very low | 31.2 | Very low | 202 Ų | 202 | 141.1 Ų | 141.1 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 158.8 | -174.5 | -86.9 | 176.9 | 173.2 | 178.9 | 0 | 116.8 | ||
| 288 | P | 28.2 | Very low | 31 | Very low | 128 Ų | 128 | 144 Ų | 144 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 121.3 | -173.5 | 32 | -32.6 | 0 | 0 | 0 | 112.4 | ||
| 289 | G | 30.9 | Very low | 31 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 107.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 290 | H | 26.6 | Very low | 31.2 | Very low | 203 Ų | 203 | 143 Ų | 143 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -65.3 | 121.7 | 170.3 | -142 | -54.4 | 0 | 0 | 0 | 109.1 | ||||
| 291 | G | 29.6 | Very low | 31.5 | Very low | 69 Ų | 69 | 147.8 Ų | 147.8 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | -170.8 | 85.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 292 | Q | 27.8 | Very low | 31.9 | Very low | 193 Ų | 193 | 151 Ų | 151 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | 74.6 | 109.3 | 142.3 | -143.9 | 159.8 | 37.1 | 0 | 0 | 119.2 | G294 | Q292-G294 PolarHBondContact O-N 2.78Š| ||
| 293 | A | 27 | Very low | 32.7 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 88% | 0.884 | 83% | 0.834 | S | S | * | * | trans | -58.1 | 108.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 294 | G | 28.3 | Very low | 33.2 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | -107.9 | 112.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q292 E296 | Q292-G294 PolarHBondContact O-N 2.78Å; G294-E296 PolarHBondContact O-N 3.08Å | ||
| 295 | G | 27.2 | Very low | 33.8 | Very low | 82 Ų | 82 | 154.3 Ų | 154.3 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -69.9 | 123 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 296 | E | 32.7 | Very low | 34.6 | Very low | 169 Ų | 169 | 157 Ų | 157 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -124.9 | 101.1 | 160.2 | -77.2 | -170.6 | 112.1 | 0 | 0 | 108.8 | G294 R298 | G294-E296 PolarHBondContact O-N 3.08Å; E296-R298 PolarHBondContact O-N 2.71Å | ||
| 297 | E | 30.3 | Very low | 35.2 | Very low | 195 Ų | 195 | 158 Ų | 158 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -58.5 | 95.4 | 158.4 | -72.3 | 177.6 | 134.9 | 0 | 0 | 108.9 | ||||
| 298 | R | 37.7 | Very low | 36.2 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 73% | 0.725 | 83% | 0.83 | S | S | * | * | trans | -156.5 | 99.6 | 167.2 | -111.3 | 149.8 | 178.9 | -149.1 | -3.2 | 114.6 | E296 | E296-R298 PolarHBondContact O-N 2.71Š| ||
| 299 | R | 35.4 | Very low | 37.3 | Very low | 212 Ų | 212 | 154.3 Ų | 154.3 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | 86.9 | 129.1 | 141.5 | -61 | 178.7 | 174.3 | -149.1 | -3.9 | 117.2 | R301 | R299-R301 PolarHBondContact O-N 2.85Š| ||
| 300 | P | 39.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 154.6 Ų | 154.6 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -63.2 | 128.4 | -173 | 24.4 | -32.3 | 0 | 0 | 0 | 110.7 | K302 | P300-K302 PolarHBondContact O-N 3.18Š| ||
| 301 | R | 45.5 | Very low | 39 | Very low | 240 Ų | 240 | 152.1 Ų | 152.1 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -45.5 | 107.5 | 174.3 | -67.8 | 169.5 | 130.8 | -178.6 | -5.5 | 109.1 | R299 R303 | R299-R301 PolarHBondContact O-N 2.85Å; R301-R303 PolarHBondContact O-N 3.2Å | ||
| 302 | K | 40.5 | Very low | 39.9 | Very low | 204 Ų | 204 | 158.2 Ų | 158.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | -50.5 | 118.3 | 166.8 | -78.6 | -179.7 | 176.4 | 178.3 | 0 | 106.2 | P300 G304 | P300-K302 PolarHBondContact O-N 3.18Å; K302-G304 VanDerWaalsContact C-N 3.32Å; K302-G304 PolarHBondContact O-N 3.14Å | ||
| 303 | R | 46.2 | Very low | 41 | Very low | 247 Ų | 247 | 156.2 Ų | 156.2 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -46 | 98.7 | 177.7 | -71.1 | 177.4 | 174.4 | -160.6 | -2.4 | 108.1 | R301 R305 | R301-R303 PolarHBondContact O-N 3.2Å; R303-R305 PolarHBondContact O-N 2.71Å | ||
| 304 | G | 42.3 | Very low | 42.5 | Very low | 68 Ų | 68 | 157.1 Ų | 157.1 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -61.2 | 111.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | K302 K306 | K302-G304 VanDerWaalsContact C-N 3.32Å; K302-G304 PolarHBondContact O-N 3.14Å; G304-K306 PolarHBondContact O-N 3.37Å | ||
| 305 | R | 44.6 | Very low | 43.9 | Very low | 242 Ų | 242 | 156.7 Ų | 156.7 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -55.2 | 113.2 | 172.9 | -170.2 | 178.8 | -173.5 | -177.6 | 2 | 106.5 | R303 P307 | R303-R305 PolarHBondContact O-N 2.71Å; R305-P307 WeakPolarHBondContact O-CD 3.48Å; R305-P307 VanDerWaalsContact O-N 3.16Å | ||
| 306 | K | 45.6 | Very low | 46.1 | Very low | 191 Ų | 191 | 157.5 Ų | 157.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -54.2 | 120.9 | 177.2 | -75 | -175.7 | 175.2 | -176.4 | 0 | 107.8 | G304 A308 | G304-K306 PolarHBondContact O-N 3.37Å; K306-A308 PolarHBondContact O-N 3.45Å | ||
| 307 | P | 43.5 | Very low | 48.3 | Very low | 97 Ų | 97 | 157 Ų | 157 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | trans | -64.3 | 121.2 | 176.1 | 24 | -30.1 | 0 | 0 | 0 | 108 | R305 N309 | R305-P307 WeakPolarHBondContact O-CD 3.48Å; R305-P307 VanDerWaalsContact O-N 3.16Å; P307-N309 PolarHBondContact O-N 2.85Å | ||
| 308 | A | 51.4 | Low | 51.1 | Low | 110 Ų | 110 | 152.5 Ų | 152.5 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -69.8 | 13.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K306 | K306-A308 PolarHBondContact O-N 3.45Š|
| 309 | N | 50.1 | Low | 53.2 | Low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -151 | 62.2 | -175.3 | -157 | 22.4 | 0 | 0 | 0 | 111.2 | P307 R311 | P307-N309 PolarHBondContact O-N 2.85Å; N309-R311 WeakPolarHBondContact O-CB 3.48Å; N309-R311 PolarHBondContact O-N 3.21Å |
| 310 | G | 48.7 | Very low | 55.4 | Low | 86 Ų | 86 | 139.6 Ų | 139.6 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 48.5 | 6.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 311 | R | 45.1 | Very low | 57.8 | Low | 151 Ų | 151 | 136.4 Ų | 136.4 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | trans | -111.9 | 105 | -169.5 | -151.2 | 167.3 | -174.8 | 167.1 | -1.8 | 107.3 | N309 E313 | N309-R311 WeakPolarHBondContact O-CB 3.48Å; N309-R311 PolarHBondContact O-N 3.21Å; R311-E313 PolarHBondContact O-N 3.4Å | ||
| 312 | E | 48.3 | Very low | 60 | Low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -63.9 | -18.2 | -176.6 | -78 | -162.1 | 141.6 | 0 | 0 | 113.4 | ||
| 313 | E | 52.4 | Low | 62.2 | Low | 151 Ų | 151 | 128.3 Ų | 128.3 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -87.6 | 122.5 | 175.8 | -73.6 | 176.9 | 141.2 | 0 | 0 | 110.1 | R311 L315 | R311-E313 PolarHBondContact O-N 3.4Å; E313-L315 PolarHBondContact O-N 3.34Å |
| 314 | P | 56.5 | Low | 64.5 | Low | 125 Ų | 125 | 123.8 Ų | 123.8 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | trans | -49.6 | 113.1 | 169 | -20.8 | 30 | 0 | 0 | 0 | 107.5 | N316 | P314-N316 PolarHBondContact O-N 2.97Š| ||
| 315 | L | 58.7 | Low | 66.9 | Low | 64 Ų | 64 | 127.8 Ų | 127.8 | 34% | 0.335 | 64% | 0.642 | S | S | . | * | trans | -44.9 | 121.7 | 178.3 | -100.3 | 99.8 | 0 | 0 | 0 | 107.2 | E313 H317 E319 A320 | E313-L315 PolarHBondContact O-N 3.34Å; L315-H317 PolarHBondContact O-N 3.06Å; L315-E319 HydrophobicContact CD2-CB 4.16Å; L315-A320 HydrophobicContact CB-CB 4.45Å | ||
| 316 | N | 72.6 | Confident | 69.1 | Low | 98 Ų | 98 | 120 Ų | 120 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | trans | -47.6 | 129.6 | -177.3 | -174.5 | -6.9 | 0 | 0 | 0 | 106.9 | P314 V318 E319 A320 | P314-N316 PolarHBondContact O-N 2.97Å; N316-V318 CarbonylContact O-C 3.54Å; N316-V318 PolarHBondContact O-N 3.28Å; N316-E319 HydrophobicContact CB-CB 4.48Å; N316-E319 HydrophobicContact CB-CG 4.08Å; N316-E319 WeakPolarHBondContact O-CA 3.3Å; N316-E319 WeakPolarHBondContact O-CB 3.48Å; N316-E319 PolarHBondContact O-N 2.79Å; N316-A320 PolarHBondContact O-N 3.33Å; N316-A320 VanDerWaalsContact O-N 3.08Å | ||
| 317 | H | 80.5 | Confident | 71.2 | Confident | 158 Ų | 158 | 117.2 Ų | 117.2 | 73% | 0.731 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -47.9 | -31.7 | -173.1 | 174.4 | 61.7 | 0 | 0 | 0 | 112.3 | L315 E321 | L315-H317 PolarHBondContact O-N 3.06Å; H317-E321 PolarHBondContact O-N 3.1Å; H317-E321 VanDerWaalsContact O-N 3.11Å |
| 318 | V | 87.6 | Confident | 73.4 | Confident | 101 Ų | 101 | 115.9 Ų | 115.9 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.1 | -46.8 | 172.1 | -174.3 | 0 | 0 | 0 | 0 | 113.5 | N316 E321 R322 | N316-V318 CarbonylContact O-C 3.54Å; N316-V318 PolarHBondContact O-N 3.28Å; V318-E321 PolarHBondContact O-N 2.8Å; V318-R322 WeakPolarHBondContact O-CB 3.35Å; V318-R322 PolarHBondContact O-N 2.87Å |
| 319 | E | 82 | Confident | 75.2 | Confident | 89 Ų | 89 | 113.2 Ų | 113.2 | 42% | 0.416 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.8 | -39.7 | 178.8 | -65.3 | 178.8 | 153.3 | 0 | 0 | 112 | L315 N316 E321 R322 Q323 | L315-E319 HydrophobicContact CD2-CB 4.16Å; N316-E319 HydrophobicContact CB-CB 4.48Å; N316-E319 HydrophobicContact CB-CG 4.08Å; N316-E319 WeakPolarHBondContact O-CA 3.3Å; N316-E319 WeakPolarHBondContact O-CB 3.48Å; N316-E319 PolarHBondContact O-N 2.79Å; E319-E321 VanDerWaalsContact C-N 3.32Å; E319-E321 PolarHBondContact O-N 3.09Å; E319-R322 WeakPolarHBondContact O-CB 3.2Å; E319-R322 PolarHBondContact O-N 2.97Å; E319-Q323 WeakPolarHBondContact O-CG 3.22Å; E319-Q323 PolarHBondContact O-N 3.03Å |
| 320 | A | 81.9 | Confident | 77.2 | Confident | 45 Ų | 45 | 112.6 Ų | 112.6 | 37% | 0.372 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L315 N316 Q323 R324 | L315-A320 HydrophobicContact CB-CB 4.45Å; N316-A320 PolarHBondContact O-N 3.33Å; N316-A320 VanDerWaalsContact O-N 3.08Å; A320-Q323 PolarHBondContact O-N 2.73Å; A320-R324 PolarHBondContact O-N 2.8Å; A320-R324 VanDerWaalsContact O-N 3.13Å |
| 321 | E | 90.5 | Very high | 79.2 | Confident | 59 Ų | 59 | 117 Ų | 117 | 28% | 0.276 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.6 | -35.4 | 175.1 | -179.5 | 55.8 | -154.4 | 0 | 0 | 112.1 | H317 V318 E319 R324 R325 | H317-E321 PolarHBondContact O-N 3.1Å; H317-E321 VanDerWaalsContact O-N 3.11Å; V318-E321 PolarHBondContact O-N 2.8Å; E319-E321 VanDerWaalsContact C-N 3.32Å; E319-E321 PolarHBondContact O-N 3.09Å; E321-R324 WeakPolarHBondContact O-CB 3.26Å; E321-R324 PolarHBondContact O-N 3Å; E321-R324 IonicContact OE1-NH1 2.9Å; E321-R325 WeakPolarHBondContact O-CG 3.21Å; E321-R325 PolarHBondContact O-N 3.12Å; E321-R325 IonicContact OE1-CZ 2.71Å; E321-R325 IonicContact OE1-NE 3.76Å; E321-R325 PolarHBondContact OE1-NE 3.42Å; E321-R325 VanDerWaalsContact OE1-NE 3.14Å; E321-R325 IonicContact OE1-NH2 2.62Å |
| 322 | R | 90.3 | Very high | 81.2 | Confident | 164 Ų | 164 | 111.7 Ų | 111.7 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.7 | -49.1 | 173.7 | -178.4 | -175.2 | 164.9 | -157.1 | -7.7 | 111.5 | V318 E319 R324 R325 E326 | V318-R322 WeakPolarHBondContact O-CB 3.35Å; V318-R322 PolarHBondContact O-N 2.87Å; E319-R322 WeakPolarHBondContact O-CB 3.2Å; E319-R322 PolarHBondContact O-N 2.97Å; R322-R324 VanDerWaalsContact C-N 3.28Å; R322-R324 PolarHBondContact O-N 3.17Å; R322-R325 WeakPolarHBondContact O-CB 3.49Å; R322-R325 PolarHBondContact O-N 3.14Å; R322-R325 VanDerWaalsContact O-N 3.09Å; R322-E326 IonicContact CZ-OE1 2.76Å; R322-E326 IonicContact NE-OE1 3.42Å; R322-E326 PolarHBondContact NE-OE1 3.22Å; R322-E326 IonicContact NH2-OE1 3.59Å; R322-E326 PolarHBondContact NH2-OE1 2.67Å; R322-E326 PolarHBondContact O-N 2.83Å |
| 323 | Q | 88.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 177.8 | -73.5 | -178 | -6.9 | 0 | 0 | 111.9 | E319 A320 R325 E326 K327 | E319-Q323 WeakPolarHBondContact O-CG 3.22Å; E319-Q323 PolarHBondContact O-N 3.03Å; A320-Q323 PolarHBondContact O-N 2.73Å; Q323-R325 VanDerWaalsContact C-N 3.32Å; Q323-R325 PolarHBondContact O-N 2.61Å; Q323-E326 PolarHBondContact O-N 3.22Å; Q323-K327 PolarHBondContact O-N 2.84Å |
| 324 | R | 94.4 | Very high | 84.5 | Confident | 151 Ų | 151 | 106 Ų | 106 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.7 | -43.2 | 174.3 | -177.2 | -179.2 | 174.2 | -81.8 | -6.2 | 111.7 | A320 E321 R322 L328 | A320-R324 PolarHBondContact O-N 2.8Å; A320-R324 VanDerWaalsContact O-N 3.13Å; E321-R324 WeakPolarHBondContact O-CB 3.26Å; E321-R324 PolarHBondContact O-N 3Å; E321-R324 IonicContact OE1-NH1 2.9Å; R322-R324 VanDerWaalsContact C-N 3.28Å; R322-R324 PolarHBondContact O-N 3.17Å; R324-L328 WeakPolarHBondContact O-CB 3.26Å; R324-L328 PolarHBondContact O-N 2.96Å; R324-L328 VanDerWaalsContact O-N 3.12Å |
| 325 | R | 92.2 | Very high | 86 | Confident | 153 Ų | 153 | 102.4 Ų | 102.4 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.8 | -38.5 | 177.5 | -70 | 175.6 | -174.5 | -176.9 | -1.5 | 112.8 | E321 R322 Q323 L328 N329 | E321-R325 WeakPolarHBondContact O-CG 3.21Å; E321-R325 PolarHBondContact O-N 3.12Å; E321-R325 IonicContact OE1-CZ 2.71Å; E321-R325 IonicContact OE1-NE 3.76Å; E321-R325 PolarHBondContact OE1-NE 3.42Å; E321-R325 VanDerWaalsContact OE1-NE 3.14Å; E321-R325 IonicContact OE1-NH2 2.62Å; R322-R325 WeakPolarHBondContact O-CB 3.49Å; R322-R325 PolarHBondContact O-N 3.14Å; R322-R325 VanDerWaalsContact O-N 3.09Å; Q323-R325 VanDerWaalsContact C-N 3.32Å; Q323-R325 PolarHBondContact O-N 2.61Å; R325-L328 PolarHBondContact O-N 3.06Å; R325-N329 WeakPolarHBondContact O-CB 3.29Å; R325-N329 PolarHBondContact O-N 2.81Å; R325-N329 PolarHBondContact O-ND2 3.3Å |
| 326 | E | 90.3 | Very high | 87.3 | Confident | 79 Ų | 79 | 102 Ų | 102 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 176.3 | -74.8 | 173.5 | -179 | 0 | 0 | 111.4 | R322 Q323 L328 N329 Q330 | R322-E326 IonicContact CZ-OE1 2.76Å; R322-E326 IonicContact NE-OE1 3.42Å; R322-E326 PolarHBondContact NE-OE1 3.22Å; R322-E326 IonicContact NH2-OE1 3.59Å; R322-E326 PolarHBondContact NH2-OE1 2.67Å; R322-E326 PolarHBondContact O-N 2.83Å; Q323-E326 PolarHBondContact O-N 3.22Å; E326-L328 VanDerWaalsContact C-N 3.29Å; E326-L328 PolarHBondContact O-N 3.24Å; E326-N329 PolarHBondContact O-N 3.43Å; E326-N329 VanDerWaalsContact O-N 3.16Å; E326-Q330 WeakPolarHBondContact O-CG 3.32Å; E326-Q330 PolarHBondContact O-N 2.76Å |
| 327 | K | 90.4 | Very high | 87.9 | Confident | 131 Ų | 131 | 101.6 Ų | 101.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | 175.8 | -169.4 | 167.8 | -173.5 | 167.3 | 0 | 112.5 | Q323 R331 | Q323-K327 PolarHBondContact O-N 2.84Å; K327-R331 WeakPolarHBondContact O-CG 3.22Å; K327-R331 PolarHBondContact O-N 2.88Å |
| 328 | L | 89.1 | Confident | 88.1 | Confident | 69 Ų | 69 | 98.7 Ų | 98.7 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 174.7 | -176.8 | 128.6 | 0 | 0 | 0 | 111.4 | R324 R325 E326 Q330 R331 F332 | R324-L328 WeakPolarHBondContact O-CB 3.26Å; R324-L328 PolarHBondContact O-N 2.96Å; R324-L328 VanDerWaalsContact O-N 3.12Å; R325-L328 PolarHBondContact O-N 3.06Å; E326-L328 VanDerWaalsContact C-N 3.29Å; E326-L328 PolarHBondContact O-N 3.24Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 2.57Å; L328-R331 WeakPolarHBondContact O-CB 3.34Å; L328-R331 PolarHBondContact O-N 3.15Å; L328-F332 HydrophobicContact CD2-CD2 3.99Å; L328-F332 HydrophobicContact CD2-CE2 3.56Å; L328-F332 HydrophobicContact CG-CD2 4.33Å; L328-F332 HydrophobicContact CG-CE2 3.98Å; L328-F332 VanDerWaalsContact O-CD2 3.24Å; L328-F332 WeakPolarHBondContact O-CD2 2.9Å; L328-F332 PolarHBondContact O-N 2.85Å |
| 329 | N | 90 | Very high | 88 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.1 | -71.2 | -16.2 | 0 | 0 | 0 | 112.4 | R325 E326 R331 F332 Y333 K347 | R325-N329 WeakPolarHBondContact O-CB 3.29Å; R325-N329 PolarHBondContact O-N 2.81Å; R325-N329 PolarHBondContact O-ND2 3.3Å; E326-N329 PolarHBondContact O-N 3.43Å; E326-N329 VanDerWaalsContact O-N 3.16Å; N329-R331 VanDerWaalsContact C-N 3.31Å; N329-R331 PolarHBondContact O-N 2.97Å; N329-F332 WeakPolarHBondContact O-CB 3.49Å; N329-F332 PolarHBondContact O-N 3.01Å; N329-F332 VanDerWaalsContact O-N 3.13Å; N329-Y333 HydrophobicContact CB-CE2 4.48Å; N329-Y333 WeakPolarHBondContact O-CD2 3.3Å; N329-Y333 PolarHBondContact O-N 2.71Å; N329-K347 WeakPolarHBondContact OD1-CE 3.21Å; N329-K347 PolarHBondContact OD1-NZ 3.43Å |
| 330 | Q | 90.4 | Very high | 87.8 | Confident | 128 Ų | 128 | 93 Ų | 93 | 60% | 0.598 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | 173 | -73.5 | 171.2 | 2.5 | 0 | 0 | 112.2 | E326 L328 F332 Y333 A334 | E326-Q330 WeakPolarHBondContact O-CG 3.32Å; E326-Q330 PolarHBondContact O-N 2.76Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 2.57Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.41Å; Q330-Y333 PolarHBondContact O-N 3.45Å; Q330-Y333 VanDerWaalsContact O-N 3.13Å; Q330-A334 PolarHBondContact O-N 3.35Å |
| 331 | R | 91.5 | Very high | 87.3 | Confident | 180 Ų | 180 | 99.4 Ų | 99.4 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.1 | -36.6 | 175.3 | -67.9 | 177.4 | 177.4 | -169.1 | -3.9 | 112.3 | K327 L328 N329 A334 L335 | K327-R331 WeakPolarHBondContact O-CG 3.22Å; K327-R331 PolarHBondContact O-N 2.88Å; L328-R331 WeakPolarHBondContact O-CB 3.34Å; L328-R331 PolarHBondContact O-N 3.15Å; N329-R331 VanDerWaalsContact C-N 3.31Å; N329-R331 PolarHBondContact O-N 2.97Å; R331-A334 PolarHBondContact O-N 2.98Å; R331-L335 WeakPolarHBondContact O-CB 3.21Å; R331-L335 PolarHBondContact O-N 2.73Å |
| 332 | F | 87.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 100 Ų | 100 | 17% | 0.167 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 172.4 | -80.1 | -75 | 0 | 0 | 0 | 111.9 | L328 N329 Q330 L335 R336 K347 L350 L351 | L328-F332 HydrophobicContact CD2-CD2 3.99Å; L328-F332 HydrophobicContact CD2-CE2 3.56Å; L328-F332 HydrophobicContact CG-CD2 4.33Å; L328-F332 HydrophobicContact CG-CE2 3.98Å; L328-F332 VanDerWaalsContact O-CD2 3.24Å; L328-F332 WeakPolarHBondContact O-CD2 2.9Å; L328-F332 PolarHBondContact O-N 2.85Å; N329-F332 WeakPolarHBondContact O-CB 3.49Å; N329-F332 PolarHBondContact O-N 3.01Å; N329-F332 VanDerWaalsContact O-N 3.13Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 3.41Å; F332-L335 PolarHBondContact O-N 3.18Å; F332-R336 VanDerWaalsContact O-CG 3.29Å; F332-R336 WeakPolarHBondContact O-CG 3.45Å; F332-R336 PolarHBondContact O-N 2.84Å; F332-K347 HydrophobicContact CD1-CB 4.45Å; F332-K347 HydrophobicContact CD1-CG 4.27Å; F332-K347 HydrophobicContact CD2-CD 4.26Å; F332-K347 HydrophobicContact CE1-CB 3.89Å; F332-K347 HydrophobicContact CE1-CD 4.43Å; F332-K347 HydrophobicContact CE1-CG 4.09Å; F332-K347 HydrophobicContact CE2-CD 3.95Å; F332-K347 HydrophobicContact CE2-CG 4.42Å; F332-K347 HydrophobicContact CG-CG 4.48Å; F332-K347 HydrophobicContact CZ-CB 4.09Å; F332-K347 HydrophobicContact CZ-CD 4.03Å; F332-K347 HydrophobicContact CZ-CG 4.18Å; F332-L350 HydrophobicContact CB-CD2 4.5Å; F332-L350 HydrophobicContact CD1-CD2 3.83Å; F332-L351 HydrophobicContact CE1-CD1 4.21Å; F332-L351 HydrophobicContact CE1-CD2 4.13Å; F332-L351 HydrophobicContact CE1-CG 4.06Å; F332-L351 HydrophobicContact CZ-CD1 4.41Å |
| 333 | Y | 84.1 | Confident | 85.5 | Confident | 166 Ų | 166 | 96.4 Ų | 96.4 | 65% | 0.651 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 174.7 | -70.7 | -63.4 | 0 | 0 | 0 | 112.6 | N329 Q330 R336 A337 | N329-Y333 HydrophobicContact CB-CE2 4.48Å; N329-Y333 WeakPolarHBondContact O-CD2 3.3Å; N329-Y333 PolarHBondContact O-N 2.71Å; Q330-Y333 PolarHBondContact O-N 3.45Å; Q330-Y333 VanDerWaalsContact O-N 3.13Å; Y333-R336 WeakPolarHBondContact O-CB 3.24Å; Y333-R336 PolarHBondContact O-N 2.9Å; Y333-A337 PolarHBondContact O-N 2.92Å |
| 334 | A | 86.5 | Confident | 84.9 | Confident | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q330 R331 R336 A337 | Q330-A334 PolarHBondContact O-N 3.35Å; R331-A334 PolarHBondContact O-N 2.98Å; A334-R336 VanDerWaalsContact C-N 3.29Å; A334-R336 PolarHBondContact O-N 3.23Å; A334-A337 WeakPolarHBondContact O-CB 3.5Å; A334-A337 PolarHBondContact O-N 2.98Å; A334-A337 VanDerWaalsContact O-N 3.12Å |
| 335 | L | 88 | Confident | 83.9 | Confident | 51 Ų | 51 | 97.3 Ų | 97.3 | 27% | 0.267 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -36.3 | 177.3 | -172.7 | 61.5 | 0 | 0 | 0 | 112.2 | R331 F332 A337 V338 V339 L350 L351 A354 | R331-L335 WeakPolarHBondContact O-CB 3.21Å; R331-L335 PolarHBondContact O-N 2.73Å; F332-L335 PolarHBondContact O-N 3.18Å; L335-A337 PolarHBondContact O-N 2.82Å; L335-V338 HydrophobicContact CD1-CG2 3.98Å; L335-V338 VanDerWaalsContact O-CG2 3.22Å; L335-V338 WeakPolarHBondContact O-CG2 3.41Å; L335-V338 PolarHBondContact O-N 3.31Å; L335-V339 HydrophobicContact CD1-CG2 3.86Å; L335-V339 HydrophobicContact CG-CG2 4.12Å; L335-V339 WeakPolarHBondContact O-CG2 3.44Å; L335-V339 PolarHBondContact O-N 3.07Å; L335-L350 HydrophobicContact CD2-CG 4.37Å; L335-L351 HydrophobicContact CD2-CD2 4.08Å; L335-A354 HydrophobicContact CD1-CB 4.35Å; L335-A354 HydrophobicContact CD2-CB 4.22Å |
| 336 | R | 85.9 | Confident | 83.5 | Confident | 55 Ų | 55 | 93.4 Ų | 93.4 | 21% | 0.208 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.5 | -28.2 | 175.8 | -70.5 | 169 | 70.2 | 80.4 | 4.1 | 113.5 | F332 Y333 A334 V338 L350 | F332-R336 VanDerWaalsContact O-CG 3.29Å; F332-R336 WeakPolarHBondContact O-CG 3.45Å; F332-R336 PolarHBondContact O-N 2.84Å; Y333-R336 WeakPolarHBondContact O-CB 3.24Å; Y333-R336 PolarHBondContact O-N 2.9Å; A334-R336 VanDerWaalsContact C-N 3.29Å; A334-R336 PolarHBondContact O-N 3.23Å; R336-V338 VanDerWaalsContact C-N 3.32Å; R336-L350 HydrophobicContact CG-CD1 3.79Å; R336-L350 HydrophobicContact CG-CD2 3.45Å; R336-L350 VanDerWaalsContact CG-CD2 3.45Å; R336-L350 HydrophobicContact CG-CG 4.3Å |
| 337 | A | 83.9 | Confident | 83.3 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 74% | 0.744 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -76.2 | -22.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y333 A334 L335 | Y333-A337 PolarHBondContact O-N 2.92Å; A334-A337 WeakPolarHBondContact O-CB 3.5Å; A334-A337 PolarHBondContact O-N 2.98Å; A334-A337 VanDerWaalsContact O-N 3.12Å; L335-A337 PolarHBondContact O-N 2.82Å |
| 338 | V | 86.2 | Confident | 83.1 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 58% | 0.582 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -102.1 | -23.9 | -175.1 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | L335 R336 P340 | L335-V338 HydrophobicContact CD1-CG2 3.98Å; L335-V338 VanDerWaalsContact O-CG2 3.22Å; L335-V338 WeakPolarHBondContact O-CG2 3.41Å; L335-V338 PolarHBondContact O-N 3.31Å; R336-V338 VanDerWaalsContact C-N 3.32Å; V338-P340 WeakPolarHBondContact O-CD 3.46Å |
| 339 | V | 84.3 | Confident | 83 | Confident | 12 Ų | 12 | 88.9 Ų | 88.9 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -89.5 | 117.8 | -178.9 | 180 | 0 | 0 | 0 | 0 | 110.6 | L335 D353 A354 | L335-V339 HydrophobicContact CD1-CG2 3.86Å; L335-V339 HydrophobicContact CG-CG2 4.12Å; L335-V339 WeakPolarHBondContact O-CG2 3.44Å; L335-V339 PolarHBondContact O-N 3.07Å; V339-D353 HydrophobicContact CG1-CB 4.29Å; V339-A354 HydrophobicContact CG2-CB 3.73Å |
| 340 | P | 78.5 | Confident | 82.9 | Confident | 60 Ų | 60 | 86.4 Ų | 86.4 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -69.1 | 144.6 | 172.3 | -15.5 | 31 | 0 | 0 | 0 | 111.2 | V338 Y357 | V338-P340 WeakPolarHBondContact O-CD 3.46Å; P340-Y357 VanDerWaalsContact CD-CE1 3.43Å; P340-Y357 VanDerWaalsContact CD-CZ 3.46Å; P340-Y357 HydrophobicContact CG-CD2 4.01Å; P340-Y357 HydrophobicContact CG-CE1 4.09Å; P340-Y357 HydrophobicContact CG-CE2 3.55Å; P340-Y357 HydrophobicContact CG-CG 4.47Å |
| 341 | K | 71.5 | Confident | 82.8 | Confident | 179 Ų | 179 | 84.1 Ų | 84.1 | 78% | 0.778 | 44% | 0.441 | S | S | * | . | trans | 64.6 | 60.1 | 173.8 | -51.8 | 174.7 | -177.6 | 169.9 | 0 | 115.1 | S343 | K341-S343 PolarHBondContact O-N 3.43Å; K341-S343 VanDerWaalsContact O-N 3.1Å | ||
| 342 | I | 73.5 | Confident | 82.6 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | trans | -63.7 | 109.1 | 169.2 | 49.3 | 161 | 0 | 0 | 0 | 111.5 | L350 | I342-L350 HydrophobicContact CG2-CD1 3.79Š| ||
| 343 | S | 69.7 | Low | 82.7 | Confident | 88 Ų | 88 | 79 Ų | 79 | 62% | 0.615 | 44% | 0.435 | S | S | * | . | trans | -74.6 | -42.7 | -176.3 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | K341 D353 | K341-S343 PolarHBondContact O-N 3.43Å; K341-S343 VanDerWaalsContact O-N 3.1Å; S343-D353 WeakPolarHBondContact CB-OD2 3.36Å; S343-D353 PolarHBondContact N-OD2 3.05Å | ||
| 344 | K | 75.2 | Confident | 83 | Confident | 123 Ų | 123 | 71.5 Ų | 71.5 | 54% | 0.535 | 41% | 0.407 | S | S | . | . | trans | -139.3 | 155.7 | 178.5 | -55.1 | -177.1 | -176.4 | 170 | 0 | 111.9 | D346 | K344-D346 VanDerWaalsContact C-N 3.3Å; K344-D346 WeakPolarHBondContact CB-OD1 3.41Å; K344-D346 WeakPolarHBondContact CD-OD1 3.38Å | ||
| 345 | M | 72.6 | Confident | 83.2 | Confident | 157 Ų | 157 | 73 Ų | 73 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -80.9 | -8.7 | 179.9 | -62.5 | -166.4 | 88.9 | 0 | 0 | 113.7 | ||
| 346 | D | 85.1 | Confident | 83.2 | Confident | 70 Ų | 70 | 73.2 Ų | 73.2 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -72.6 | 147.4 | 175.5 | 64.3 | -86.3 | 0 | 0 | 0 | 112 | K344 A348 S349 L350 | K344-D346 VanDerWaalsContact C-N 3.3Å; K344-D346 WeakPolarHBondContact CB-OD1 3.41Å; K344-D346 WeakPolarHBondContact CD-OD1 3.38Å; D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.34Å; D346-S349 PolarHBondContact O-N 3.29Å; D346-S349 PolarHBondContact OD1-OG 2.9Å; D346-S349 VanDerWaalsContact OD2-CB 3.28Å; D346-S349 WeakPolarHBondContact OD2-CB 3.24Å; D346-S349 PolarHBondContact OD2-N 2.99Å; D346-S349 PolarHBondContact OD2-OG 3.42Å; D346-L350 PolarHBondContact O-N 3.02Å; D346-L350 VanDerWaalsContact O-N 3.16Å |
| 347 | K | 86.1 | Confident | 83.4 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.4 | -33.2 | -174.8 | -66.6 | 179.6 | 175.1 | -176.6 | 0 | 113 | N329 F332 L351 | N329-K347 WeakPolarHBondContact OD1-CE 3.21Å; N329-K347 PolarHBondContact OD1-NZ 3.43Å; F332-K347 HydrophobicContact CD1-CB 4.45Å; F332-K347 HydrophobicContact CD1-CG 4.27Å; F332-K347 HydrophobicContact CD2-CD 4.26Å; F332-K347 HydrophobicContact CE1-CB 3.89Å; F332-K347 HydrophobicContact CE1-CD 4.43Å; F332-K347 HydrophobicContact CE1-CG 4.09Å; F332-K347 HydrophobicContact CE2-CD 3.95Å; F332-K347 HydrophobicContact CE2-CG 4.42Å; F332-K347 HydrophobicContact CG-CG 4.48Å; F332-K347 HydrophobicContact CZ-CB 4.09Å; F332-K347 HydrophobicContact CZ-CD 4.03Å; F332-K347 HydrophobicContact CZ-CG 4.18Å; K347-L351 WeakPolarHBondContact O-CG 3.29Å; K347-L351 PolarHBondContact O-N 3.18Å |
| 348 | A | 86.2 | Confident | 83.7 | Confident | 65 Ų | 65 | 73.7 Ų | 73.7 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.1 | -49.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D346 L350 L351 S352 | D346-A348 VanDerWaalsContact C-N 3.26Å; D346-A348 PolarHBondContact O-N 3.34Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 3.47Å; A348-L351 PolarHBondContact O-N 2.74Å; A348-L351 VanDerWaalsContact O-N 3.15Å; A348-S352 PolarHBondContact O-N 2.83Å; A348-S352 PolarHBondContact O-OG 3.19Å |
| 349 | S | 87.2 | Confident | 83.9 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | D346 L351 S352 D353 | D346-S349 PolarHBondContact O-N 3.29Å; D346-S349 PolarHBondContact OD1-OG 2.9Å; D346-S349 VanDerWaalsContact OD2-CB 3.28Å; D346-S349 WeakPolarHBondContact OD2-CB 3.24Å; D346-S349 PolarHBondContact OD2-N 2.99Å; D346-S349 PolarHBondContact OD2-OG 3.42Å; S349-L351 VanDerWaalsContact C-N 3.3Å; S349-L351 PolarHBondContact O-N 3.49Å; S349-S352 WeakPolarHBondContact O-CB 3.49Å; S349-S352 PolarHBondContact O-N 3.16Å; S349-S352 VanDerWaalsContact O-N 3.17Å; S349-D353 VanDerWaalsContact O-CG 3.25Å; S349-D353 PolarHBondContact O-N 2.97Å |
| 350 | L | 86.5 | Confident | 84.1 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60 | -39 | 175 | 176.6 | 62.9 | 0 | 0 | 0 | 112.8 | F332 L335 R336 I342 D346 A348 A354 | F332-L350 HydrophobicContact CB-CD2 4.5Å; F332-L350 HydrophobicContact CD1-CD2 3.83Å; L335-L350 HydrophobicContact CD2-CG 4.37Å; R336-L350 HydrophobicContact CG-CD1 3.79Å; R336-L350 HydrophobicContact CG-CD2 3.45Å; R336-L350 VanDerWaalsContact CG-CD2 3.45Å; R336-L350 HydrophobicContact CG-CG 4.3Å; I342-L350 HydrophobicContact CG2-CD1 3.79Å; D346-L350 PolarHBondContact O-N 3.02Å; D346-L350 VanDerWaalsContact O-N 3.16Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 3.47Å; L350-A354 VanDerWaalsContact O-CB 3.3Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.24Å |
| 351 | L | 89.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 42% | 0.419 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 176.1 | -69 | 171.5 | 0 | 0 | 0 | 111.3 | F332 L335 K347 A348 S349 A354 I355 | F332-L351 HydrophobicContact CE1-CD1 4.21Å; F332-L351 HydrophobicContact CE1-CD2 4.13Å; F332-L351 HydrophobicContact CE1-CG 4.06Å; F332-L351 HydrophobicContact CZ-CD1 4.41Å; L335-L351 HydrophobicContact CD2-CD2 4.08Å; K347-L351 WeakPolarHBondContact O-CG 3.29Å; K347-L351 PolarHBondContact O-N 3.18Å; A348-L351 PolarHBondContact O-N 2.74Å; A348-L351 VanDerWaalsContact O-N 3.15Å; S349-L351 VanDerWaalsContact C-N 3.3Å; S349-L351 PolarHBondContact O-N 3.49Å; L351-A354 PolarHBondContact O-N 3.18Å; L351-I355 VanDerWaalsContact O-CG1 3.26Å; L351-I355 WeakPolarHBondContact O-CG1 3.37Å; L351-I355 PolarHBondContact O-N 3.46Å |
| 352 | S | 87.8 | Confident | 85.2 | Confident | 74 Ų | 74 | 74.4 Ų | 74.4 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.2 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | A348 S349 A354 I355 A356 | A348-S352 PolarHBondContact O-N 2.83Å; A348-S352 PolarHBondContact O-OG 3.19Å; S349-S352 WeakPolarHBondContact O-CB 3.49Å; S349-S352 PolarHBondContact O-N 3.16Å; S349-S352 VanDerWaalsContact O-N 3.17Å; S352-A354 VanDerWaalsContact C-N 3.34Å; S352-A354 PolarHBondContact O-N 2.87Å; S352-I355 PolarHBondContact O-N 3.41Å; S352-A356 WeakPolarHBondContact O-CB 3.06Å; S352-A356 PolarHBondContact O-N 3.29Å |
| 353 | D | 88.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.8 | -65.9 | -16.1 | 0 | 0 | 0 | 110.9 | V339 S343 S349 A356 Y357 | V339-D353 HydrophobicContact CG1-CB 4.29Å; S343-D353 WeakPolarHBondContact CB-OD2 3.36Å; S343-D353 PolarHBondContact N-OD2 3.05Å; S349-D353 VanDerWaalsContact O-CG 3.25Å; S349-D353 PolarHBondContact O-N 2.97Å; D353-A356 PolarHBondContact O-N 3.05Å; D353-Y357 WeakPolarHBondContact O-CB 3.41Å; D353-Y357 PolarHBondContact O-N 3.13Å |
| 354 | A | 90.6 | Very high | 86.2 | Confident | 8 Ų | 8 | 79.4 Ų | 79.4 | 7% | 0.066 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L335 V339 L350 L351 S352 Y357 I358 | L335-A354 HydrophobicContact CD1-CB 4.35Å; L335-A354 HydrophobicContact CD2-CB 4.22Å; V339-A354 HydrophobicContact CG2-CB 3.73Å; L350-A354 VanDerWaalsContact O-CB 3.3Å; L350-A354 WeakPolarHBondContact O-CB 3.43Å; L350-A354 PolarHBondContact O-N 3.24Å; L351-A354 PolarHBondContact O-N 3.18Å; S352-A354 VanDerWaalsContact C-N 3.34Å; S352-A354 PolarHBondContact O-N 2.87Å; A354-Y357 PolarHBondContact O-N 3.2Å; A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.43Å; A354-I358 PolarHBondContact O-N 2.92Å |
| 355 | I | 89.8 | Confident | 85.9 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.5 | -68.3 | 164 | 0 | 0 | 0 | 110.1 | L351 S352 Y357 I358 Q359 | L351-I355 VanDerWaalsContact O-CG1 3.26Å; L351-I355 WeakPolarHBondContact O-CG1 3.37Å; L351-I355 PolarHBondContact O-N 3.46Å; S352-I355 PolarHBondContact O-N 3.41Å; I355-Y357 VanDerWaalsContact C-N 3.32Å; I355-Y357 PolarHBondContact O-N 3.07Å; I355-I358 PolarHBondContact O-N 3.47Å; I355-Q359 WeakPolarHBondContact O-CG 3.12Å; I355-Q359 PolarHBondContact O-N 3.49Å |
| 356 | A | 88.5 | Confident | 85.9 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 45% | 0.446 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S352 D353 Q359 E360 | S352-A356 WeakPolarHBondContact O-CB 3.06Å; S352-A356 PolarHBondContact O-N 3.29Å; D353-A356 PolarHBondContact O-N 3.05Å; A356-Q359 PolarHBondContact O-N 3.18Å; A356-E360 WeakPolarHBondContact O-CB 3.38Å; A356-E360 PolarHBondContact O-N 2.81Å |
| 357 | Y | 89.5 | Confident | 83.9 | Confident | 67 Ų | 67 | 82 Ų | 82 | 26% | 0.263 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.5 | 179.4 | -121.7 | 0 | 0 | 0 | 112.6 | P340 D353 A354 I355 Q359 E360 L361 | P340-Y357 VanDerWaalsContact CD-CE1 3.43Å; P340-Y357 VanDerWaalsContact CD-CZ 3.46Å; P340-Y357 HydrophobicContact CG-CD2 4.01Å; P340-Y357 HydrophobicContact CG-CE1 4.09Å; P340-Y357 HydrophobicContact CG-CE2 3.55Å; P340-Y357 HydrophobicContact CG-CG 4.47Å; D353-Y357 WeakPolarHBondContact O-CB 3.41Å; D353-Y357 PolarHBondContact O-N 3.13Å; A354-Y357 PolarHBondContact O-N 3.2Å; I355-Y357 VanDerWaalsContact C-N 3.32Å; I355-Y357 PolarHBondContact O-N 3.07Å; Y357-Q359 VanDerWaalsContact C-N 3.34Å; Y357-E360 PolarHBondContact O-N 3.38Å; Y357-L361 HydrophobicContact CD1-CD1 3.98Å; Y357-L361 HydrophobicContact CD2-CG 4.31Å; Y357-L361 HydrophobicContact CE1-CD1 3.47Å; Y357-L361 VanDerWaalsContact CE1-CD1 3.47Å; Y357-L361 HydrophobicContact CE1-CG 4.17Å; Y357-L361 HydrophobicContact CE2-CD1 4.11Å; Y357-L361 HydrophobicContact CE2-CD2 4.09Å; Y357-L361 HydrophobicContact CE2-CG 3.88Å; Y357-L361 WeakPolarHBondContact O-CB 3.38Å; Y357-L361 WeakPolarHBondContact O-CG 3.28Å; Y357-L361 PolarHBondContact O-N 3.38Å |
| 358 | I | 91.1 | Very high | 81.8 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 46% | 0.456 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.4 | -68.6 | 165.3 | 0 | 0 | 0 | 110 | A354 I355 E360 L361 E362 | A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.43Å; A354-I358 PolarHBondContact O-N 2.92Å; I355-I358 PolarHBondContact O-N 3.47Å; I358-E360 PolarHBondContact O-N 3.46Å; I358-L361 WeakPolarHBondContact O-CB 3.23Å; I358-L361 PolarHBondContact O-N 2.87Å; I358-E362 HydrophobicContact CG2-CG 4.37Å; I358-E362 WeakPolarHBondContact O-CB 3.47Å; I358-E362 WeakPolarHBondContact O-CG 3.45Å; I358-E362 PolarHBondContact O-N 3.06Å |
| 359 | Q | 90.2 | Very high | 79.3 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.6 | -72.3 | 174.9 | -14 | 0 | 0 | 112 | I355 A356 Y357 L361 E362 D363 | I355-Q359 WeakPolarHBondContact O-CG 3.12Å; I355-Q359 PolarHBondContact O-N 3.49Å; A356-Q359 PolarHBondContact O-N 3.18Å; Y357-Q359 VanDerWaalsContact C-N 3.34Å; Q359-L361 VanDerWaalsContact C-N 3.34Å; Q359-L361 PolarHBondContact O-N 3.18Å; Q359-E362 PolarHBondContact O-N 3.06Å; Q359-D363 VanDerWaalsContact O-CB 3.3Å; Q359-D363 WeakPolarHBondContact O-CB 3.4Å; Q359-D363 PolarHBondContact O-N 2.97Å |
| 360 | E | 88.6 | Confident | 76.5 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 34% | 0.336 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 173.9 | -177.8 | -177.1 | -179.8 | 0 | 0 | 111.7 | A356 Y357 I358 D363 R364 | A356-E360 WeakPolarHBondContact O-CB 3.38Å; A356-E360 PolarHBondContact O-N 2.81Å; Y357-E360 PolarHBondContact O-N 3.38Å; I358-E360 PolarHBondContact O-N 3.46Å; E360-D363 PolarHBondContact O-N 3.09Å; E360-R364 WeakPolarHBondContact O-CB 3.29Å; E360-R364 WeakPolarHBondContact O-CG 3.12Å; E360-R364 PolarHBondContact O-N 3.36Å; E360-R364 IonicContact OE1-CZ 3.18Å; E360-R364 IonicContact OE1-NE 3.73Å; E360-R364 PolarHBondContact OE1-NE 2.7Å; E360-R364 VanDerWaalsContact OE1-NE 3.13Å; E360-R364 IonicContact OE1-NH2 2.65Å; E360-R364 PolarHBondContact OE1-NH2 2.82Å |
| 361 | L | 85.9 | Confident | 73.8 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 176 | -75 | 176 | 0 | 0 | 0 | 111.8 | Y357 I358 Q359 D363 R364 L365 | Y357-L361 HydrophobicContact CD1-CD1 3.98Å; Y357-L361 HydrophobicContact CD2-CG 4.31Å; Y357-L361 HydrophobicContact CE1-CD1 3.47Å; Y357-L361 VanDerWaalsContact CE1-CD1 3.47Å; Y357-L361 HydrophobicContact CE1-CG 4.17Å; Y357-L361 HydrophobicContact CE2-CD1 4.11Å; Y357-L361 HydrophobicContact CE2-CD2 4.09Å; Y357-L361 HydrophobicContact CE2-CG 3.88Å; Y357-L361 WeakPolarHBondContact O-CB 3.38Å; Y357-L361 WeakPolarHBondContact O-CG 3.28Å; Y357-L361 PolarHBondContact O-N 3.38Å; I358-L361 WeakPolarHBondContact O-CB 3.23Å; I358-L361 PolarHBondContact O-N 2.87Å; Q359-L361 VanDerWaalsContact C-N 3.34Å; Q359-L361 PolarHBondContact O-N 3.18Å; L361-D363 VanDerWaalsContact C-N 3.34Å; L361-R364 PolarHBondContact O-N 3.33Å; L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 2.89Å |
| 362 | E | 87.3 | Confident | 70.8 | Confident | 117 Ų | 117 | 86.1 Ų | 86.1 | 55% | 0.547 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 173.9 | -73.7 | 176.6 | 168.3 | 0 | 0 | 111 | I358 Q359 L365 R366 | I358-E362 HydrophobicContact CG2-CG 4.37Å; I358-E362 WeakPolarHBondContact O-CB 3.47Å; I358-E362 WeakPolarHBondContact O-CG 3.45Å; I358-E362 PolarHBondContact O-N 3.06Å; Q359-E362 PolarHBondContact O-N 3.06Å; E362-L365 PolarHBondContact O-N 3.46Å; E362-R366 WeakPolarHBondContact O-CB 3.22Å; E362-R366 PolarHBondContact O-N 2.8Å |
| 363 | D | 86.4 | Confident | 67.9 | Low | 104 Ų | 104 | 86.7 Ų | 86.7 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.9 | -30.8 | 177 | -79.1 | -20.4 | 0 | 0 | 0 | 112.7 | Q359 E360 L361 G367 | Q359-D363 VanDerWaalsContact O-CB 3.3Å; Q359-D363 WeakPolarHBondContact O-CB 3.4Å; Q359-D363 PolarHBondContact O-N 2.97Å; E360-D363 PolarHBondContact O-N 3.09Å; L361-D363 VanDerWaalsContact C-N 3.34Å; D363-G367 WeakPolarHBondContact O-CA 3.41Å; D363-G367 PolarHBondContact O-N 3.3Å |
| 364 | R | 77.7 | Confident | 65 | Low | 162 Ų | 162 | 88.5 Ų | 88.5 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.1 | -41.9 | 172.2 | -75.2 | 169.5 | 177.4 | -144.5 | 2.2 | 111.4 | E360 L361 R366 G368 | E360-R364 WeakPolarHBondContact O-CB 3.29Å; E360-R364 WeakPolarHBondContact O-CG 3.12Å; E360-R364 PolarHBondContact O-N 3.36Å; E360-R364 IonicContact OE1-CZ 3.18Å; E360-R364 IonicContact OE1-NE 3.73Å; E360-R364 PolarHBondContact OE1-NE 2.7Å; E360-R364 VanDerWaalsContact OE1-NE 3.13Å; E360-R364 IonicContact OE1-NH2 2.65Å; E360-R364 PolarHBondContact OE1-NH2 2.82Å; L361-R364 PolarHBondContact O-N 3.33Å; R364-R366 PolarHBondContact O-N 3.41Å; R364-G368 PolarHBondContact O-N 3.15Å |
| 365 | L | 69.7 | Low | 62.1 | Low | 150 Ų | 150 | 94.9 Ų | 94.9 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.9 | -35.8 | 172.7 | -81.1 | 165.1 | 0 | 0 | 0 | 111.3 | L361 E362 | L361-L365 WeakPolarHBondContact O-CB 3.32Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 2.89Å; E362-L365 PolarHBondContact O-N 3.46Å |
| 366 | R | 70.7 | Confident | 59.7 | Low | 201 Ų | 201 | 94.4 Ų | 94.4 | 76% | 0.758 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.1 | -39.9 | 178.5 | -166.4 | 170.2 | -173.4 | -99.1 | -3.1 | 112.9 | E362 R364 G369 | E362-R366 WeakPolarHBondContact O-CB 3.22Å; E362-R366 PolarHBondContact O-N 2.8Å; R364-R366 PolarHBondContact O-N 3.41Å; R366-G369 WeakPolarHBondContact O-CA 3.36Å; R366-G369 PolarHBondContact O-N 3.03Å |
| 367 | G | 44.9 | Very low | 57.4 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 54% | 0.536 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -79.2 | -18 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D363 G369 G370 | D363-G367 WeakPolarHBondContact O-CA 3.41Å; D363-G367 PolarHBondContact O-N 3.3Å; G367-G369 PolarHBondContact O-N 3.32Å; G367-G370 PolarHBondContact O-N 2.87Å; G367-G370 VanDerWaalsContact O-N 3.13Å |
| 368 | G | 40.8 | Very low | 55.2 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 78% | 0.784 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -14.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R364 | R364-G368 PolarHBondContact O-N 3.15Š|
| 369 | G | 34.1 | Very low | 52.8 | Low | 59 Ų | 59 | 100.8 Ų | 100.8 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 49.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | R366 G367 G371 | R366-G369 WeakPolarHBondContact O-CA 3.36Å; R366-G369 PolarHBondContact O-N 3.03Å; G367-G369 PolarHBondContact O-N 3.32Å; G369-G371 PolarHBondContact O-N 3.47Å |
| 370 | G | 28 | Very low | 51 | Low | 74 Ų | 74 | 100.8 Ų | 100.8 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | trans | -69.9 | 87.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G367 | G367-G370 PolarHBondContact O-N 2.87Å; G367-G370 VanDerWaalsContact O-N 3.13Å | ||
| 371 | G | 29.5 | Very low | 49.5 | Very low | 69 Ų | 69 | 100.7 Ų | 100.7 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -173.8 | 58.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G369 | G369-G371 PolarHBondContact O-N 3.47Š|
| 372 | G | 26.7 | Very low | 48.4 | Very low | 78 Ų | 78 | 100.9 Ų | 100.9 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | 58.7 | 98.9 | 152 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 373 | G | 27.6 | Very low | 47.9 | Very low | 85 Ų | 85 | 98 Ų | 98 | 88% | 0.876 | 67% | 0.674 | S | S | * | * | trans | 82.4 | 124.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 374 | G | 28.5 | Very low | 47.6 | Very low | 74 Ų | 74 | 97.9 Ų | 97.9 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | trans | 107.2 | 110.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S376 | G374-S376 PolarHBondContact O-N 2.82Š| ||
| 375 | C | 28.6 | Very low | 47.9 | Very low | 143 Ų | 143 | 93.9 Ų | 93.9 | 97% | 0.966 | 67% | 0.667 | S | S | * | * | trans | -51.7 | 108.4 | 164.3 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 376 | S | 38.6 | Very low | 48.4 | Very low | 85 Ų | 85 | 89.8 Ų | 89.8 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -124.9 | 111.7 | 154.9 | 81 | 0 | 0 | 0 | 0 | 106.6 | G374 A378 | G374-S376 PolarHBondContact O-N 2.82Å; S376-A378 PolarHBondContact O-N 3.17Å | ||
| 377 | A | 40.5 | Very low | 49 | Very low | 93 Ų | 93 | 84.6 Ų | 84.6 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | trans | -39.5 | 135.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | R379 | A377-R379 PolarHBondContact O-N 2.89Š| ||
| 378 | A | 43.1 | Very low | 50.5 | Low | 90 Ų | 90 | 85 Ų | 85 | 74% | 0.744 | 62% | 0.621 | S | S | * | * | trans | -29.5 | 107.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S376 P380 | S376-A378 PolarHBondContact O-N 3.17Å; A378-P380 WeakPolarHBondContact O-CD 3.28Å; A378-P380 VanDerWaalsContact O-N 3.07Å | ||
| 379 | R | 42.5 | Very low | 52.6 | Low | 160 Ų | 160 | 85.4 Ų | 85.4 | 60% | 0.604 | 62% | 0.617 | S | S | * | * | trans | -56 | 123.5 | -175.3 | -76.6 | 178 | 66.2 | -169.7 | -1.1 | 105.6 | A377 D381 S382 | A377-R379 PolarHBondContact O-N 2.89Å; R379-D381 IonicContact NE-OD2 2.86Å; R379-D381 IonicContact NH2-OD2 3.53Å; R379-D381 PolarHBondContact O-N 2.63Å; R379-S382 PolarHBondContact O-N 3.21Å; R379-S382 PolarHBondContact O-OG 3.06Å | ||
| 380 | P | 50.9 | Low | 54.9 | Low | 106 Ų | 106 | 87.2 Ų | 87.2 | 69% | 0.688 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -7.8 | -179.6 | 22.1 | -32.1 | 0 | 0 | 0 | 113.1 | A378 | A378-P380 WeakPolarHBondContact O-CD 3.28Å; A378-P380 VanDerWaalsContact O-N 3.07Å |
| 381 | D | 56.9 | Low | 57.1 | Low | 70 Ų | 70 | 93 Ų | 93 | 37% | 0.374 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -12.8 | 178.1 | -51.3 | -37.4 | 0 | 0 | 0 | 114.5 | R379 | R379-D381 IonicContact NE-OD2 2.86Å; R379-D381 IonicContact NH2-OD2 3.53Å; R379-D381 PolarHBondContact O-N 2.63Å |
| 382 | S | 64.3 | Low | 59.6 | Low | 71 Ų | 71 | 97.2 Ų | 97.2 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -73.1 | 133.2 | 178.6 | 62.2 | 0 | 0 | 0 | 0 | 110 | R379 D384 | R379-S382 PolarHBondContact O-N 3.21Å; R379-S382 PolarHBondContact O-OG 3.06Å; S382-D384 PolarHBondContact O-N 3.05Å |
| 383 | P | 76.7 | Confident | 62.1 | Low | 57 Ų | 57 | 100 Ų | 100 | 37% | 0.37 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 138.7 | 172.4 | 28.1 | -34.7 | 0 | 0 | 0 | 109.8 | V398 T399 T400 | P383-V398 HydrophobicContact CB-CG1 3.79Å; P383-V398 HydrophobicContact CG-CG1 4.42Å; P383-T399 CarbonylContact C-O 3.49Å; P383-T399 WeakPolarHBondContact CA-O 3.43Å; P383-T400 HydrophobicContact CB-CG2 4.37Å; P383-T400 WeakPolarHBondContact CB-OG1 3.36Å |
| 384 | D | 79.6 | Confident | 64.6 | Low | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.9 | 173.8 | 179.9 | 41 | 0 | 0 | 0 | 109 | S382 V398 T399 | S382-D384 PolarHBondContact O-N 3.05Å; D384-V398 CarbonylContact O-C 3.52Å; D384-T399 PolarHBondContact N-O 2.75Å; D384-T399 PolarHBondContact O-N 2.91Å |
| 385 | V | 84.8 | Confident | 67.2 | Low | 77 Ų | 77 | 100.8 Ų | 100.8 | 47% | 0.467 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 114 | -173.2 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | V387 L396 R397 V398 | V385-V387 HydrophobicContact CG1-CG2 4.3Å; V385-L396 HydrophobicContact CG1-CD1 3.52Å; V385-R397 WeakPolarHBondContact CA-O 3.43Å; V385-V398 HydrophobicContact CG2-CG1 4.39Å; V385-V398 HydrophobicContact CG2-CG2 4.45Å |
| 386 | E | 79.4 | Confident | 69.8 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 30% | 0.299 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.7 | 173.7 | -171.4 | 179.9 | -177.5 | 0 | 0 | 109.7 | K388 R397 | E386-K388 HydrophobicContact CG-CG 4.36Å; E386-K388 WeakPolarHBondContact OE1-CE 3.19Å; E386-K388 IonicContact OE1-NZ 3.2Å; E386-R397 HydrophobicContact CB-CB 4.43Å; E386-R397 PolarHBondContact N-O 3.05Å; E386-R397 PolarHBondContact O-N 3.01Å; E386-R397 IonicContact OE2-CZ 3.92Å; E386-R397 IonicContact OE2-NE 3.13Å; E386-R397 IonicContact OE2-NH1 3.97Å; E386-R397 PolarHBondContact OE2-NH1 3.2Å; E386-R397 IonicContact OE2-NH2 3.41Å; E386-R397 PolarHBondContact OE2-NH2 3.04Å |
| 387 | V | 83.9 | Confident | 71.9 | Confident | 92 Ų | 92 | 99.7 Ų | 99.7 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.6 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | V385 V394 L396 | V385-V387 HydrophobicContact CG1-CG2 4.3Å; V387-V394 HydrophobicContact CG1-CG1 3.58Å; V387-L396 HydrophobicContact CG2-CD1 3.68Å |
| 388 | K | 76.4 | Confident | 74.1 | Confident | 62 Ų | 62 | 99 Ų | 99 | 27% | 0.27 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.6 | 174 | -63.5 | -171.4 | -179.8 | -174 | 0 | 109.6 | E386 M390 V395 | E386-K388 HydrophobicContact CG-CG 4.36Å; E386-K388 WeakPolarHBondContact OE1-CE 3.19Å; E386-K388 IonicContact OE1-NZ 3.2Å; K388-M390 HydrophobicContact CB-CE 3.99Å; K388-M390 HydrophobicContact CD-CE 4.24Å; K388-V395 HydrophobicContact CB-CB 4.43Å; K388-V395 PolarHBondContact N-O 2.9Å; K388-V395 PolarHBondContact O-N 3.45Å |
| 389 | A | 84.9 | Confident | 76.1 | Confident | 83 Ų | 83 | 98 Ų | 98 | 69% | 0.686 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 390 | M | 81.2 | Confident | 78 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | trans | -103.5 | 177.7 | 170.7 | -55.5 | -60 | 177.8 | 0 | 0 | 109.2 | K388 D392 E393 | K388-M390 HydrophobicContact CB-CE 3.99Å; K388-M390 HydrophobicContact CD-CE 4.24Å; M390-D392 PolarHBondContact O-N 2.96Å; M390-E393 WeakPolarHBondContact CA-O 3.24Å; M390-E393 HydrophobicContact CB-CB 4.46Å; M390-E393 WeakPolarHBondContact CB-O 3.49Å; M390-E393 PolarHBondContact N-O 2.97Å | ||
| 391 | Q | 75.5 | Confident | 79.6 | Confident | 195 Ų | 195 | 89.4 Ų | 89.4 | 91% | 0.911 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -62.7 | -27.5 | -174.3 | -72.2 | -178.6 | -13.9 | 0 | 0 | 114.2 | ||
| 392 | D | 81.4 | Confident | 80.8 | Confident | 158 Ų | 158 | 89 Ų | 89 | 85% | 0.845 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -139.5 | 2.9 | -179.8 | -159.9 | 32.3 | 0 | 0 | 0 | 113.4 | M390 | M390-D392 PolarHBondContact O-N 2.96Š|
| 393 | E | 78.7 | Confident | 81.7 | Confident | 137 Ų | 137 | 92.4 Ų | 92.4 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | trans | -139.7 | 149.4 | -174.5 | -65.8 | -178.5 | -179.2 | 0 | 0 | 110.6 | M390 | M390-E393 WeakPolarHBondContact CA-O 3.24Å; M390-E393 HydrophobicContact CB-CB 4.46Å; M390-E393 WeakPolarHBondContact CB-O 3.49Å; M390-E393 PolarHBondContact N-O 2.97Å | ||
| 394 | V | 81.1 | Confident | 82 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.8 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 108 | V387 | V387-V394 HydrophobicContact CG1-CG1 3.58Å |
| 395 | V | 82.9 | Confident | 82.3 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 112.4 | 175.7 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | K388 | K388-V395 HydrophobicContact CB-CB 4.43Å; K388-V395 PolarHBondContact N-O 2.9Å; K388-V395 PolarHBondContact O-N 3.45Å |
| 396 | L | 83 | Confident | 82.3 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.8 | 172.7 | 177 | 69.1 | 0 | 0 | 0 | 109 | V385 V387 V398 | V385-L396 HydrophobicContact CG1-CD1 3.52Å; V387-L396 HydrophobicContact CG2-CD1 3.68Å; L396-V398 HydrophobicContact CD1-CG2 4.42Å; L396-V398 HydrophobicContact CD2-CG2 4.35Å; L396-V398 HydrophobicContact CG-CG2 4.09Å |
| 397 | R | 83.3 | Confident | 82.7 | Confident | 93 Ų | 93 | 89.5 Ų | 89.5 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.2 | 171.5 | -168.7 | 171.8 | 85.1 | -120.3 | -5 | 109.8 | V385 E386 | V385-R397 WeakPolarHBondContact CA-O 3.43Å; E386-R397 HydrophobicContact CB-CB 4.43Å; E386-R397 PolarHBondContact N-O 3.05Å; E386-R397 PolarHBondContact O-N 3.01Å; E386-R397 IonicContact OE2-CZ 3.92Å; E386-R397 IonicContact OE2-NE 3.13Å; E386-R397 IonicContact OE2-NH1 3.97Å; E386-R397 PolarHBondContact OE2-NH1 3.2Å; E386-R397 IonicContact OE2-NH2 3.41Å; E386-R397 PolarHBondContact OE2-NH2 3.04Å |
| 398 | V | 86 | Confident | 83 | Confident | 78 Ų | 78 | 86.1 Ų | 86.1 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.7 | 175.2 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | P383 D384 V385 L396 | P383-V398 HydrophobicContact CB-CG1 3.79Å; P383-V398 HydrophobicContact CG-CG1 4.42Å; D384-V398 CarbonylContact O-C 3.52Å; V385-V398 HydrophobicContact CG2-CG1 4.39Å; V385-V398 HydrophobicContact CG2-CG2 4.45Å; L396-V398 HydrophobicContact CD1-CG2 4.42Å; L396-V398 HydrophobicContact CD2-CG2 4.35Å; L396-V398 HydrophobicContact CG-CG2 4.09Å |
| 399 | T | 84.3 | Confident | 83.4 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 109.2 | 179.7 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | P383 D384 | P383-T399 CarbonylContact C-O 3.49Å; P383-T399 WeakPolarHBondContact CA-O 3.43Å; D384-T399 PolarHBondContact N-O 2.75Å; D384-T399 PolarHBondContact O-N 2.91Å |
| 400 | T | 82.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 88.4 Ų | 88.4 | 27% | 0.27 | 46% | 0.462 | S | S | . | . | trans | -111.6 | 134.1 | 178.3 | -45.8 | 0 | 0 | 0 | 0 | 109.2 | P383 L402 A404 H405 | P383-T400 HydrophobicContact CB-CG2 4.37Å; P383-T400 WeakPolarHBondContact CB-OG1 3.36Å; T400-L402 PolarHBondContact O-N 3.48Å; T400-A404 HydrophobicContact CG2-CB 4.04Å; T400-H405 HydrophobicContact CG2-CB 4.49Å | ||
| 401 | P | 84.3 | Confident | 83.9 | Confident | 41 Ų | 41 | 86.2 Ų | 86.2 | 27% | 0.266 | 45% | 0.449 | S | S | . | . | trans | -53.4 | 137.5 | 171.1 | -23.9 | 32.5 | 0 | 0 | 0 | 111.1 | Y403 A404 H405 | P401-Y403 HydrophobicContact CB-CD1 3.66Å; P401-Y403 HydrophobicContact CB-CE1 3.22Å; P401-Y403 HydrophobicContact CB-CE2 4.29Å; P401-Y403 HydrophobicContact CB-CG 4.35Å; P401-Y403 HydrophobicContact CG-CE1 4.07Å; P401-Y403 PolarHBondContact O-N 3.16Å; P401-Y403 VanDerWaalsContact O-N 3.1Å; P401-A404 PolarHBondContact O-N 2.99Å; P401-H405 PolarHBondContact O-N 3.31Å | ||
| 402 | L | 81.9 | Confident | 84.6 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -56.8 | -34.3 | -174.1 | -175.7 | 63.1 | 0 | 0 | 0 | 112.4 | T400 A404 H405 S408 F411 | T400-L402 PolarHBondContact O-N 3.48Å; L402-A404 VanDerWaalsContact C-N 3.28Å; L402-A404 PolarHBondContact O-N 3.38Å; L402-H405 PolarHBondContact O-N 2.76Å; L402-S408 WeakPolarHBondContact O-CB 3.47Å; L402-F411 HydrophobicContact CD1-CB 3.88Å; L402-F411 HydrophobicContact CD1-CD2 3.7Å; L402-F411 HydrophobicContact CD1-CE2 4.41Å; L402-F411 HydrophobicContact CD1-CG 3.87Å; L402-F411 HydrophobicContact CD2-CB 4.06Å; L402-F411 HydrophobicContact CG-CB 4.4Å |
| 403 | Y | 83.4 | Confident | 84.8 | Confident | 142 Ų | 142 | 73 Ų | 73 | 56% | 0.557 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -67.2 | -26.9 | 178.3 | 65.5 | -99 | 0 | 0 | 0 | 113.5 | P401 | P401-Y403 HydrophobicContact CB-CD1 3.66Å; P401-Y403 HydrophobicContact CB-CE1 3.22Å; P401-Y403 HydrophobicContact CB-CE2 4.29Å; P401-Y403 HydrophobicContact CB-CG 4.35Å; P401-Y403 HydrophobicContact CG-CE1 4.07Å; P401-Y403 PolarHBondContact O-N 3.16Å; P401-Y403 VanDerWaalsContact O-N 3.1Å |
| 404 | A | 83.1 | Confident | 85.3 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 37% | 0.372 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -94.2 | -9.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T400 P401 L402 | T400-A404 HydrophobicContact CG2-CB 4.04Å; P401-A404 PolarHBondContact O-N 2.99Å; L402-A404 VanDerWaalsContact C-N 3.28Å; L402-A404 PolarHBondContact O-N 3.38Å |
| 405 | H | 85.7 | Confident | 85.6 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -76.6 | 142.1 | -177.4 | -164.8 | -81.8 | 0 | 0 | 0 | 111.6 | T400 P401 L402 V407 S408 H435 | T400-H405 HydrophobicContact CG2-CB 4.49Å; P401-H405 PolarHBondContact O-N 3.31Å; L402-H405 PolarHBondContact O-N 2.76Å; H405-V407 VanDerWaalsContact C-N 3.3Å; H405-V407 VanDerWaalsContact CE1-CG2 3.49Å; H405-V407 WeakPolarHBondContact CE1-CG2 3.41Å; H405-V407 WeakPolarHBondContact ND1-CG2 3.3Å; H405-V407 PolarHBondContact ND1-N 2.75Å; H405-V407 PolarHBondContact O-N 2.72Å; H405-S408 WeakPolarHBondContact O-CB 3.44Å; H405-S408 PolarHBondContact O-N 2.84Å; H405-S408 PolarHBondContact O-OG 3.42Å; H405-S408 VanDerWaalsContact O-OG 3.13Å; H405-H435 AromaticContact CE1-CE1 3.51Å |
| 406 | P | 85.7 | Confident | 85.7 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 75% | 0.753 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -39.7 | -178.7 | -30.2 | 35.4 | 0 | 0 | 0 | 114.9 | S408 | P406-S408 VanDerWaalsContact C-N 3.28Å; P406-S408 PolarHBondContact O-N 3Å |
| 407 | V | 87.9 | Confident | 85.8 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.17 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 15.3 | 176.8 | -60 | 0 | 0 | 0 | 0 | 114.4 | H405 R409 V410 F411 H435 | H405-V407 VanDerWaalsContact C-N 3.3Å; H405-V407 VanDerWaalsContact CE1-CG2 3.49Å; H405-V407 WeakPolarHBondContact CE1-CG2 3.41Å; H405-V407 WeakPolarHBondContact ND1-CG2 3.3Å; H405-V407 PolarHBondContact ND1-N 2.75Å; H405-V407 PolarHBondContact O-N 2.72Å; V407-R409 VanDerWaalsContact C-N 3.27Å; V407-R409 PolarHBondContact O-N 3.35Å; V407-V410 HydrophobicContact CB-CB 4.39Å; V407-V410 HydrophobicContact CB-CG2 4.39Å; V407-V410 WeakPolarHBondContact O-CB 3.45Å; V407-V410 PolarHBondContact O-N 2.98Å; V407-F411 HydrophobicContact CB-CD2 4.49Å; V407-F411 HydrophobicContact CG2-CD2 3.81Å; V407-F411 HydrophobicContact CG2-CE2 3.53Å; V407-F411 WeakPolarHBondContact O-CD2 3.18Å; V407-F411 PolarHBondContact O-N 3.5Å; V407-H435 HydrophobicContact CG1-CB 4.31Å |
| 408 | S | 88.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 70.4 Ų | 70.4 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -50.1 | -45.7 | -179.7 | 61 | 0 | 0 | 0 | 0 | 113 | L402 H405 P406 V410 F411 H412 | L402-S408 WeakPolarHBondContact O-CB 3.47Å; H405-S408 WeakPolarHBondContact O-CB 3.44Å; H405-S408 PolarHBondContact O-N 2.84Å; H405-S408 PolarHBondContact O-OG 3.42Å; H405-S408 VanDerWaalsContact O-OG 3.13Å; P406-S408 VanDerWaalsContact C-N 3.28Å; P406-S408 PolarHBondContact O-N 3Å; S408-V410 VanDerWaalsContact C-N 3.32Å; S408-V410 PolarHBondContact O-N 3.29Å; S408-F411 PolarHBondContact O-N 3Å; S408-H412 PolarHBondContact O-N 3.17Å; S408-H412 PolarHBondContact O-ND1 2.78Å |
| 409 | R | 85.3 | Confident | 86 | Confident | 148 Ų | 148 | 67.8 Ų | 67.8 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | -179.4 | -63.5 | -173.7 | -177.1 | 175.9 | 1.4 | 112.5 | V407 H412 A413 | V407-R409 VanDerWaalsContact C-N 3.27Å; V407-R409 PolarHBondContact O-N 3.35Å; R409-H412 PolarHBondContact O-N 2.92Å; R409-A413 WeakPolarHBondContact O-CB 3.35Å; R409-A413 PolarHBondContact O-N 3.31Å |
| 410 | V | 88.1 | Confident | 86.2 | Confident | 46 Ų | 46 | 68.8 Ų | 68.8 | 28% | 0.279 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 110 | V407 S408 H412 A413 I414 L437 M456 | V407-V410 HydrophobicContact CB-CB 4.39Å; V407-V410 HydrophobicContact CB-CG2 4.39Å; V407-V410 WeakPolarHBondContact O-CB 3.45Å; V407-V410 PolarHBondContact O-N 2.98Å; S408-V410 VanDerWaalsContact C-N 3.32Å; S408-V410 PolarHBondContact O-N 3.29Å; V410-H412 VanDerWaalsContact C-N 3.34Å; V410-H412 PolarHBondContact O-N 3.34Å; V410-A413 WeakPolarHBondContact O-CB 3.18Å; V410-A413 PolarHBondContact O-N 2.86Å; V410-I414 HydrophobicContact CG1-CD1 3.98Å; V410-I414 VanDerWaalsContact O-CG1 3.27Å; V410-I414 WeakPolarHBondContact O-CG1 3.36Å; V410-I414 PolarHBondContact O-N 3.31Å; V410-L437 HydrophobicContact CG1-CD1 4.05Å; V410-M456 HydrophobicContact CG1-SD 3.89Å |
| 411 | F | 89.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -32.8 | 177 | -80.3 | -77.4 | 0 | 0 | 0 | 113.6 | L402 V407 S408 R415 V421 L437 | L402-F411 HydrophobicContact CD1-CB 3.88Å; L402-F411 HydrophobicContact CD1-CD2 3.7Å; L402-F411 HydrophobicContact CD1-CE2 4.41Å; L402-F411 HydrophobicContact CD1-CG 3.87Å; L402-F411 HydrophobicContact CD2-CB 4.06Å; L402-F411 HydrophobicContact CG-CB 4.4Å; V407-F411 HydrophobicContact CB-CD2 4.49Å; V407-F411 HydrophobicContact CG2-CD2 3.81Å; V407-F411 HydrophobicContact CG2-CE2 3.53Å; V407-F411 WeakPolarHBondContact O-CD2 3.18Å; V407-F411 PolarHBondContact O-N 3.5Å; S408-F411 PolarHBondContact O-N 3Å; F411-R415 WeakPolarHBondContact O-CB 3.38Å; F411-R415 PolarHBondContact O-N 3.44Å; F411-V421 HydrophobicContact CD1-CG2 4.42Å; F411-V421 HydrophobicContact CE1-CG2 4.06Å; F411-L437 HydrophobicContact CZ-CD2 4.14Å |
| 412 | H | 88.7 | Confident | 86.7 | Confident | 74 Ų | 74 | 69.2 Ų | 69.2 | 34% | 0.343 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 170.9 | -73.7 | 86.3 | 0 | 0 | 0 | 110.9 | S408 R409 V410 I414 R415 D416 | S408-H412 PolarHBondContact O-N 3.17Å; S408-H412 PolarHBondContact O-ND1 2.78Å; R409-H412 PolarHBondContact O-N 2.92Å; V410-H412 VanDerWaalsContact C-N 3.34Å; V410-H412 PolarHBondContact O-N 3.34Å; H412-I414 VanDerWaalsContact C-N 3.3Å; H412-I414 PolarHBondContact O-N 3.44Å; H412-R415 WeakPolarHBondContact O-CB 3.35Å; H412-R415 PolarHBondContact O-N 2.95Å; H412-R415 VanDerWaalsContact O-N 3.08Å; H412-D416 VanDerWaalsContact O-CG 3.23Å; H412-D416 PolarHBondContact O-N 3.21Å |
| 413 | A | 86.7 | Confident | 87 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.9 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R409 V410 A417 M456 | R409-A413 WeakPolarHBondContact O-CB 3.35Å; R409-A413 PolarHBondContact O-N 3.31Å; V410-A413 WeakPolarHBondContact O-CB 3.18Å; V410-A413 PolarHBondContact O-N 2.86Å; A413-A417 VanDerWaalsContact O-CB 3.32Å; A413-A417 WeakPolarHBondContact O-CB 3.31Å; A413-A417 PolarHBondContact O-N 3.41Å; A413-M456 HydrophobicContact CB-CE 3.67Å; A413-M456 HydrophobicContact CB-SD 3.9Å |
| 414 | I | 88.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 175 | -72.4 | 168.7 | 0 | 0 | 0 | 110.4 | V410 H412 A417 E418 L419 V421 L437 L439 M456 | V410-I414 HydrophobicContact CG1-CD1 3.98Å; V410-I414 VanDerWaalsContact O-CG1 3.27Å; V410-I414 WeakPolarHBondContact O-CG1 3.36Å; V410-I414 PolarHBondContact O-N 3.31Å; H412-I414 VanDerWaalsContact C-N 3.3Å; H412-I414 PolarHBondContact O-N 3.44Å; I414-A417 CarbonylContact O-C 3.57Å; I414-A417 PolarHBondContact O-N 3.47Å; I414-E418 PolarHBondContact O-N 2.9Å; I414-L419 HydrophobicContact CG2-CB 3.88Å; I414-L419 VanDerWaalsContact CG2-O 3.3Å; I414-L419 WeakPolarHBondContact CG2-O 3.33Å; I414-L419 PolarHBondContact O-N 2.99Å; I414-V421 HydrophobicContact CD1-CG2 4.05Å; I414-V421 HydrophobicContact CG2-CG2 3.84Å; I414-L437 HydrophobicContact CD1-CD1 3.65Å; I414-L439 HydrophobicContact CD1-CD1 4.43Å; I414-L439 HydrophobicContact CD1-CD2 3.76Å; I414-L439 HydrophobicContact CG1-CD1 4.33Å; I414-L439 HydrophobicContact CG1-CD2 4.25Å; I414-L439 HydrophobicContact CG2-CD2 4.44Å; I414-M456 HydrophobicContact CG1-CE 3.73Å; I414-M456 HydrophobicContact CG1-SD 4.21Å |
| 415 | R | 86.8 | Confident | 87.6 | Confident | 153 Ų | 153 | 68 Ų | 68 | 58% | 0.577 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 178.3 | -174.7 | -174.7 | -59.7 | 170.3 | 3.5 | 111.7 | F411 H412 A417 E418 | F411-R415 WeakPolarHBondContact O-CB 3.38Å; F411-R415 PolarHBondContact O-N 3.44Å; H412-R415 WeakPolarHBondContact O-CB 3.35Å; H412-R415 PolarHBondContact O-N 2.95Å; H412-R415 VanDerWaalsContact O-N 3.08Å; R415-A417 PolarHBondContact O-N 2.73Å; R415-E418 PolarHBondContact O-N 3.15Å |
| 416 | D | 86.1 | Confident | 87.8 | Confident | 124 Ų | 124 | 68.9 Ų | 68.9 | 66% | 0.663 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.9 | -25.6 | -179.6 | -64.8 | -14 | 0 | 0 | 0 | 112.2 | H412 E418 | H412-D416 VanDerWaalsContact O-CG 3.23Å; H412-D416 PolarHBondContact O-N 3.21Å; D416-E418 VanDerWaalsContact C-N 3.33Å |
| 417 | A | 84.9 | Confident | 87.9 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 6.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A413 I414 R415 L419 A455 | A413-A417 VanDerWaalsContact O-CB 3.32Å; A413-A417 WeakPolarHBondContact O-CB 3.31Å; A413-A417 PolarHBondContact O-N 3.41Å; I414-A417 CarbonylContact O-C 3.57Å; I414-A417 PolarHBondContact O-N 3.47Å; R415-A417 PolarHBondContact O-N 2.73Å; A417-L419 HydrophobicContact CB-CD1 4.15Å; A417-L419 HydrophobicContact CB-CG 3.94Å; A417-L419 PolarHBondContact O-N 3.42Å; A417-L419 VanDerWaalsContact O-N 3.17Å; A417-A455 HydrophobicContact CB-CB 3.5Å |
| 418 | E | 85.4 | Confident | 88 | Confident | 149 Ų | 149 | 69.7 Ų | 69.7 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31.3 | -179.5 | -57.1 | -176.3 | 177.5 | 0 | 0 | 113.6 | I414 R415 D416 P442 | I414-E418 PolarHBondContact O-N 2.9Å; R415-E418 PolarHBondContact O-N 3.15Å; D416-E418 VanDerWaalsContact C-N 3.33Å; E418-P442 WeakPolarHBondContact O-CD 3.29Å; E418-P442 WeakPolarHBondContact O-CG 3.35Å |
| 419 | L | 87.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | trans | -88.8 | 145.6 | 179.6 | -60.7 | -178.2 | 0 | 0 | 0 | 111.6 | I414 A417 L439 L447 V452 | I414-L419 HydrophobicContact CG2-CB 3.88Å; I414-L419 VanDerWaalsContact CG2-O 3.3Å; I414-L419 WeakPolarHBondContact CG2-O 3.33Å; I414-L419 PolarHBondContact O-N 2.99Å; A417-L419 HydrophobicContact CB-CD1 4.15Å; A417-L419 HydrophobicContact CB-CG 3.94Å; A417-L419 PolarHBondContact O-N 3.42Å; A417-L419 VanDerWaalsContact O-N 3.17Å; L419-L439 HydrophobicContact CD1-CD1 4.03Å; L419-L447 HydrophobicContact CD2-CD1 3.34Å; L419-V452 HydrophobicContact CD1-CG2 4.32Å | ||
| 420 | I | 87.8 | Confident | 87.7 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.9 | 178 | -59.4 | 172.3 | 0 | 0 | 0 | 109.2 | A422 L439 R440 P442 | I420-A422 PolarHBondContact O-N 3.48Å; I420-L439 CarbonylContact O-C 3.55Å; I420-L439 VanDerWaalsContact O-CA 3.31Å; I420-L439 WeakPolarHBondContact O-CA 3.49Å; I420-R440 PolarHBondContact N-O 3.01Å; I420-R440 PolarHBondContact O-N 2.85Å; I420-P442 HydrophobicContact CD1-CB 4.22Å |
| 421 | V | 89.9 | Confident | 87.8 | Confident | 46 Ų | 46 | 79.3 Ų | 79.3 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.6 | 169.9 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | F411 I414 A423 L437 L439 | F411-V421 HydrophobicContact CD1-CG2 4.42Å; F411-V421 HydrophobicContact CE1-CG2 4.06Å; I414-V421 HydrophobicContact CD1-CG2 4.05Å; I414-V421 HydrophobicContact CG2-CG2 3.84Å; V421-A423 WeakPolarHBondContact CG1-O 3.41Å; V421-L437 HydrophobicContact CG1-CD2 4.02Å; V421-L439 HydrophobicContact CB-CD2 4.45Å; V421-L439 HydrophobicContact CG2-CD2 3.85Å |
| 422 | A | 88.3 | Confident | 87.6 | Confident | 47 Ų | 47 | 79.6 Ų | 79.6 | 39% | 0.388 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -32.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | I420 V438 R440 | I420-A422 PolarHBondContact O-N 3.48Å; A422-V438 HydrophobicContact CB-CB 4.47Å; A422-V438 HydrophobicContact CB-CG1 4.26Å; A422-V438 PolarHBondContact N-O 3.34Å; A422-R440 HydrophobicContact CB-CG 4.03Å |
| 423 | A | 87.8 | Confident | 87.6 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 149.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V421 L437 V438 | V421-A423 WeakPolarHBondContact CG1-O 3.41Å; A423-L437 WeakPolarHBondContact O-CA 3.16Å; A423-V438 HydrophobicContact CB-CB 4.09Å; A423-V438 HydrophobicContact CB-CG2 4.04Å; A423-V438 PolarHBondContact O-N 3.26Å |
| 424 | S | 90.6 | Very high | 87.6 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.9 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | T436 L437 | S424-T436 CarbonylContact C-O 3.6Å; S424-T436 WeakPolarHBondContact CA-O 3.06Å; S424-L437 VanDerWaalsContact OG-CD2 3.3Å; S424-L437 WeakPolarHBondContact OG-CD2 3.14Å |
| 425 | D | 88.8 | Confident | 87.7 | Confident | 104 Ų | 104 | 86 Ų | 86 | 56% | 0.556 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.5 | 175.2 | -170.8 | 28.8 | 0 | 0 | 0 | 109.8 | H435 T436 | D425-H435 CarbonylContact O-C 3.48Å; D425-H435 WeakPolarHBondContact O-CA 3.25Å; D425-T436 PolarHBondContact N-O 2.89Å; D425-T436 PolarHBondContact O-N 2.87Å |
| 426 | V | 90.6 | Very high | 87.9 | Confident | 69 Ų | 69 | 82.4 Ų | 82.4 | 42% | 0.418 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.7 | 179.5 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | V433 T434 H435 | V426-V433 HydrophobicContact CG1-CG1 3.49Å; V426-V433 VanDerWaalsContact CG1-CG1 3.49Å; V426-T434 WeakPolarHBondContact CA-O 3.49Å; V426-H435 VanDerWaalsContact CG2-CE1 3.41Å; V426-H435 WeakPolarHBondContact CG2-CE1 3.23Å |
| 427 | A | 87.7 | Confident | 88.1 | Confident | 46 Ų | 46 | 78.5 Ų | 78.5 | 38% | 0.38 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V433 T434 | A427-V433 CarbonylContact O-C 3.53Å; A427-T434 PolarHBondContact N-O 3.18Å; A427-T434 PolarHBondContact O-N 3.42Å |
| 428 | V | 89.5 | Confident | 88.4 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 70% | 0.697 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.7 | 173.4 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | V433 | V428-V433 HydrophobicContact CG2-CG1 4.35Å; V428-V433 HydrophobicContact CG2-CG2 4.23Å |
| 429 | A | 84.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 47% | 0.471 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 134.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E431 A432 | A429-E431 PolarHBondContact O-N 3.42Å; A429-A432 PolarHBondContact N-O 3.47Å; A429-A432 PolarHBondContact O-N 3.42Å; A429-A432 VanDerWaalsContact O-O 3.12Å |
| 430 | D | 83.9 | Confident | 88.6 | Confident | 164 Ų | 164 | 82.2 Ų | 82.2 | 88% | 0.877 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | -100.2 | -176.4 | -56.3 | -32.8 | 0 | 0 | 0 | 112.1 | ||
| 431 | E | 89.7 | Confident | 88.4 | Confident | 195 Ų | 195 | 79.5 Ų | 79.5 | 91% | 0.911 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 20 | -176.5 | -61.1 | -65.1 | 150.8 | 0 | 0 | 111.9 | A429 | A429-E431 PolarHBondContact O-N 3.42Š|
| 432 | A | 85.9 | Confident | 87.8 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A429 | A429-A432 PolarHBondContact N-O 3.47Å; A429-A432 PolarHBondContact O-N 3.42Å; A429-A432 VanDerWaalsContact O-O 3.12Å |
| 433 | V | 87.6 | Confident | 87.2 | Confident | 88 Ų | 88 | 81.1 Ų | 81.1 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.4 | 169.1 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | V426 A427 V428 | V426-V433 HydrophobicContact CG1-CG1 3.49Å; V426-V433 VanDerWaalsContact CG1-CG1 3.49Å; A427-V433 CarbonylContact O-C 3.53Å; V428-V433 HydrophobicContact CG2-CG1 4.35Å; V428-V433 HydrophobicContact CG2-CG2 4.23Å |
| 434 | T | 87.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.8 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | V426 A427 | V426-T434 WeakPolarHBondContact CA-O 3.49Å; A427-T434 PolarHBondContact N-O 3.18Å; A427-T434 PolarHBondContact O-N 3.42Å |
| 435 | H | 89.6 | Confident | 85.4 | Confident | 59 Ų | 59 | 89.6 Ų | 89.6 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.2 | 171.9 | -74.7 | -122.1 | 0 | 0 | 0 | 109.1 | H405 V407 D425 V426 | H405-H435 AromaticContact CE1-CE1 3.51Å; V407-H435 HydrophobicContact CG1-CB 4.31Å; D425-H435 CarbonylContact O-C 3.48Å; D425-H435 WeakPolarHBondContact O-CA 3.25Å; V426-H435 VanDerWaalsContact CG2-CE1 3.41Å; V426-H435 WeakPolarHBondContact CG2-CE1 3.23Å |
| 436 | T | 90.3 | Very high | 84.7 | Confident | 76 Ų | 76 | 93.3 Ų | 93.3 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.4 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | S424 D425 | S424-T436 CarbonylContact C-O 3.6Å; S424-T436 WeakPolarHBondContact CA-O 3.06Å; D425-T436 PolarHBondContact N-O 2.89Å; D425-T436 PolarHBondContact O-N 2.87Å |
| 437 | L | 91 | Very high | 84.2 | Confident | 43 Ų | 43 | 93.1 Ų | 93.1 | 23% | 0.225 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.4 | -179.9 | -58.4 | 177.2 | 0 | 0 | 0 | 110.1 | V410 F411 I414 V421 A423 S424 L439 | V410-L437 HydrophobicContact CG1-CD1 4.05Å; F411-L437 HydrophobicContact CZ-CD2 4.14Å; I414-L437 HydrophobicContact CD1-CD1 3.65Å; V421-L437 HydrophobicContact CG1-CD2 4.02Å; A423-L437 WeakPolarHBondContact O-CA 3.16Å; S424-L437 VanDerWaalsContact OG-CD2 3.3Å; S424-L437 WeakPolarHBondContact OG-CD2 3.14Å; L437-L439 HydrophobicContact CB-CD2 4.12Å |
| 438 | V | 91.1 | Very high | 84 | Confident | 76 Ų | 76 | 94 Ų | 94 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.7 | 170.5 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | A422 A423 | A422-V438 HydrophobicContact CB-CB 4.47Å; A422-V438 HydrophobicContact CB-CG1 4.26Å; A422-V438 PolarHBondContact N-O 3.34Å; A423-V438 HydrophobicContact CB-CB 4.09Å; A423-V438 HydrophobicContact CB-CG2 4.04Å; A423-V438 PolarHBondContact O-N 3.26Å |
| 439 | L | 90.2 | Very high | 83.7 | Confident | 38 Ų | 38 | 92.2 Ų | 92.2 | 20% | 0.199 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.2 | -176.1 | -53.2 | -179.1 | 0 | 0 | 0 | 111.5 | I414 L419 I420 V421 L437 L447 V452 | I414-L439 HydrophobicContact CD1-CD1 4.43Å; I414-L439 HydrophobicContact CD1-CD2 3.76Å; I414-L439 HydrophobicContact CG1-CD1 4.33Å; I414-L439 HydrophobicContact CG1-CD2 4.25Å; I414-L439 HydrophobicContact CG2-CD2 4.44Å; L419-L439 HydrophobicContact CD1-CD1 4.03Å; I420-L439 CarbonylContact O-C 3.55Å; I420-L439 VanDerWaalsContact O-CA 3.31Å; I420-L439 WeakPolarHBondContact O-CA 3.49Å; V421-L439 HydrophobicContact CB-CD2 4.45Å; V421-L439 HydrophobicContact CG2-CD2 3.85Å; L437-L439 HydrophobicContact CB-CD2 4.12Å; L439-L447 HydrophobicContact CB-CD2 4.05Å; L439-V452 HydrophobicContact CD1-CG1 3.86Å |
| 440 | R | 87 | Confident | 83.6 | Confident | 165 Ų | 165 | 97 Ų | 97 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.7 | 172.8 | -66.3 | -175.2 | -173.8 | 179 | 3.4 | 110.3 | I420 A422 | I420-R440 PolarHBondContact N-O 3.01Å; I420-R440 PolarHBondContact O-N 2.85Å; A422-R440 HydrophobicContact CB-CG 4.03Å |
| 441 | S | 83.5 | Confident | 83.5 | Confident | 34 Ų | 34 | 92.7 Ų | 92.7 | 24% | 0.238 | 52% | 0.517 | C | S | . | . | trans | -78.8 | 147.7 | 168.1 | 78.4 | 0 | 0 | 0 | 0 | 109.3 | G443 E445 | S441-G443 VanDerWaalsContact C-N 3.27Å; S441-G443 PolarHBondContact OG-O 3.23Å; S441-E445 PolarHBondContact OG-O 2.86Å | ||
| 442 | P | 77.1 | Confident | 83.3 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -75.8 | -17.6 | 175.1 | 28.9 | -33.5 | 0 | 0 | 0 | 112.6 | E418 I420 | E418-P442 WeakPolarHBondContact O-CD 3.29Å; E418-P442 WeakPolarHBondContact O-CG 3.35Å; I420-P442 HydrophobicContact CD1-CB 4.22Å |
| 443 | G | 76.1 | Confident | 83.3 | Confident | 39 Ų | 39 | 88 Ų | 88 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -102.4 | 177.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S441 E445 | S441-G443 VanDerWaalsContact C-N 3.27Å; S441-G443 PolarHBondContact OG-O 3.23Å; G443-E445 PolarHBondContact O-N 3.18Å |
| 444 | P | 71.7 | Confident | 83.1 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 92% | 0.916 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -70.5 | -5.7 | 172.3 | 30.8 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 445 | E | 69.2 | Low | 82.7 | Confident | 156 Ų | 156 | 82.7 Ų | 82.7 | 73% | 0.729 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -68.5 | 130 | -179 | -64.1 | -173.6 | 169.3 | 0 | 0 | 111.4 | S441 G443 L447 | S441-E445 PolarHBondContact OG-O 2.86Å; G443-E445 PolarHBondContact O-N 3.18Å; E445-L447 PolarHBondContact O-N 3.41Å |
| 446 | Q | 73.8 | Confident | 82.3 | Confident | 182 Ų | 182 | 81.3 Ų | 81.3 | 85% | 0.85 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 121.7 | 173.9 | -82.5 | 179.2 | -0.2 | 0 | 0 | 110 | T448 | Q446-T448 PolarHBondContact O-N 3.36Š|
| 447 | L | 80.1 | Confident | 81.9 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 119.1 | 171.5 | -157.2 | 81.7 | 0 | 0 | 0 | 108.7 | L419 L439 E445 V452 | L419-L447 HydrophobicContact CD2-CD1 3.34Å; L439-L447 HydrophobicContact CB-CD2 4.05Å; E445-L447 PolarHBondContact O-N 3.41Å; L447-V452 HydrophobicContact CD1-CG2 4.26Å; L447-V452 HydrophobicContact CD2-CG2 3.52Å; L447-V452 HydrophobicContact CG-CG2 3.73Å |
| 448 | T | 84.1 | Confident | 81.2 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -100.2 | 154.1 | 176 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | Q446 E450 T451 V452 | Q446-T448 PolarHBondContact O-N 3.36Å; T448-E450 PolarHBondContact O-N 3.38Å; T448-T451 PolarHBondContact N-OG1 3.38Å; T448-T451 PolarHBondContact O-N 2.88Å; T448-T451 PolarHBondContact O-OG1 3.34Å; T448-T451 VanDerWaalsContact OG1-CG2 3.29Å; T448-T451 WeakPolarHBondContact OG1-CG2 3.19Å; T448-T451 PolarHBondContact OG1-N 2.89Å; T448-T451 PolarHBondContact OG1-OG1 3.3Å; T448-V452 PolarHBondContact O-N 2.91Å |
| 449 | A | 82.9 | Confident | 80.1 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 64% | 0.636 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.2 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V452 L453 | A449-V452 PolarHBondContact O-N 2.75Å; A449-L453 WeakPolarHBondContact O-CB 3.43Å; A449-L453 VanDerWaalsContact O-CG 3.31Å; A449-L453 WeakPolarHBondContact O-CG 3.24Å; A449-L453 PolarHBondContact O-N 3.44Å |
| 450 | E | 83.5 | Confident | 78.8 | Confident | 158 Ų | 158 | 87.4 Ų | 87.4 | 74% | 0.738 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 179.6 | -64.4 | 179.9 | -178.5 | 0 | 0 | 112.5 | T448 V452 L453 A454 | T448-E450 PolarHBondContact O-N 3.38Å; E450-V452 VanDerWaalsContact C-N 3.33Å; E450-V452 PolarHBondContact O-N 3Å; E450-L453 PolarHBondContact O-N 2.9Å; E450-A454 VanDerWaalsContact O-CB 3.22Å; E450-A454 WeakPolarHBondContact O-CB 3.35Å; E450-A454 PolarHBondContact O-N 3.46Å |
| 451 | T | 81.9 | Confident | 77.6 | Confident | 72 Ų | 72 | 84.9 Ų | 84.9 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -38.2 | 178.2 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | T448 A455 | T448-T451 PolarHBondContact N-OG1 3.38Å; T448-T451 PolarHBondContact O-N 2.88Å; T448-T451 PolarHBondContact O-OG1 3.34Å; T448-T451 VanDerWaalsContact OG1-CG2 3.29Å; T448-T451 WeakPolarHBondContact OG1-CG2 3.19Å; T448-T451 PolarHBondContact OG1-N 2.89Å; T448-T451 PolarHBondContact OG1-OG1 3.3Å; T451-A455 WeakPolarHBondContact O-CB 3.31Å; T451-A455 PolarHBondContact O-N 3.01Å |
| 452 | V | 85.4 | Confident | 76.2 | Confident | 29 Ų | 29 | 86.9 Ų | 86.9 | 18% | 0.176 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 175 | 179 | 0 | 0 | 0 | 0 | 110.7 | L419 L439 L447 T448 A449 E450 A454 A455 M456 | L419-V452 HydrophobicContact CD1-CG2 4.32Å; L439-V452 HydrophobicContact CD1-CG1 3.86Å; L447-V452 HydrophobicContact CD1-CG2 4.26Å; L447-V452 HydrophobicContact CD2-CG2 3.52Å; L447-V452 HydrophobicContact CG-CG2 3.73Å; T448-V452 PolarHBondContact O-N 2.91Å; A449-V452 PolarHBondContact O-N 2.75Å; E450-V452 VanDerWaalsContact C-N 3.33Å; E450-V452 PolarHBondContact O-N 3Å; V452-A454 VanDerWaalsContact C-N 3.32Å; V452-A454 PolarHBondContact O-N 3.13Å; V452-A455 WeakPolarHBondContact O-CB 3.32Å; V452-A455 PolarHBondContact O-N 2.77Å; V452-A455 VanDerWaalsContact O-N 3.16Å; V452-M456 HydrophobicContact CG1-CG 4.32Å; V452-M456 VanDerWaalsContact O-CG 3.32Å; V452-M456 WeakPolarHBondContact O-CG 3.45Å; V452-M456 PolarHBondContact O-N 3.26Å |
| 453 | L | 85.4 | Confident | 74.7 | Confident | 123 Ų | 123 | 86.8 Ų | 86.8 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -39.4 | 178.2 | -74.5 | 169.9 | 0 | 0 | 0 | 112.2 | A449 E450 M456 S457 | A449-L453 WeakPolarHBondContact O-CB 3.43Å; A449-L453 VanDerWaalsContact O-CG 3.31Å; A449-L453 WeakPolarHBondContact O-CG 3.24Å; A449-L453 PolarHBondContact O-N 3.44Å; E450-L453 PolarHBondContact O-N 2.9Å; L453-M456 PolarHBondContact O-N 3.24Å; L453-S457 WeakPolarHBondContact O-CB 3.26Å; L453-S457 PolarHBondContact O-N 3.46Å; L453-S457 PolarHBondContact O-OG 2.98Å; L453-S457 VanDerWaalsContact O-OG 3.13Å |
| 454 | A | 83.1 | Confident | 73.2 | Confident | 45 Ų | 45 | 89.7 Ų | 89.7 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E450 V452 S457 R458 | E450-A454 VanDerWaalsContact O-CB 3.22Å; E450-A454 WeakPolarHBondContact O-CB 3.35Å; E450-A454 PolarHBondContact O-N 3.46Å; V452-A454 VanDerWaalsContact C-N 3.32Å; V452-A454 PolarHBondContact O-N 3.13Å; A454-S457 WeakPolarHBondContact CA-OG 3.45Å; A454-S457 PolarHBondContact O-OG 3.19Å; A454-S457 VanDerWaalsContact O-OG 3.12Å; A454-R458 VanDerWaalsContact O-CG 3.3Å; A454-R458 WeakPolarHBondContact O-CG 3.38Å; A454-R458 PolarHBondContact O-N 3.08Å; A454-R458 PolarHBondContact O-NE 3.4Å |
| 455 | A | 79.7 | Confident | 71.9 | Confident | 5 Ų | 5 | 89.1 Ų | 89.1 | 4% | 0.041 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A417 T451 V452 R458 G459 | A417-A455 HydrophobicContact CB-CB 3.5Å; T451-A455 WeakPolarHBondContact O-CB 3.31Å; T451-A455 PolarHBondContact O-N 3.01Å; V452-A455 WeakPolarHBondContact O-CB 3.32Å; V452-A455 PolarHBondContact O-N 2.77Å; V452-A455 VanDerWaalsContact O-N 3.16Å; A455-R458 PolarHBondContact O-N 2.78Å; A455-G459 PolarHBondContact O-N 3.45Å; A455-G459 VanDerWaalsContact O-N 3.14Å |
| 456 | M | 82 | Confident | 70.2 | Confident | 29 Ų | 29 | 86.4 Ų | 86.4 | 14% | 0.143 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66.4 | -41.3 | -178.5 | -65 | -50.8 | 100.5 | 0 | 0 | 111.7 | V410 A413 I414 V452 L453 R458 G459 M460 | V410-M456 HydrophobicContact CG1-SD 3.89Å; A413-M456 HydrophobicContact CB-CE 3.67Å; A413-M456 HydrophobicContact CB-SD 3.9Å; I414-M456 HydrophobicContact CG1-CE 3.73Å; I414-M456 HydrophobicContact CG1-SD 4.21Å; V452-M456 HydrophobicContact CG1-CG 4.32Å; V452-M456 VanDerWaalsContact O-CG 3.32Å; V452-M456 WeakPolarHBondContact O-CG 3.45Å; V452-M456 PolarHBondContact O-N 3.26Å; L453-M456 PolarHBondContact O-N 3.24Å; M456-R458 VanDerWaalsContact C-N 3.35Å; M456-R458 PolarHBondContact O-N 2.99Å; M456-G459 PolarHBondContact O-N 3.46Å; M456-M460 WeakPolarHBondContact O-CB 3.39Å; M456-M460 WeakPolarHBondContact O-CG 2.97Å; M456-M460 PolarHBondContact O-N 3.24Å |
| 457 | S | 81.3 | Confident | 68.6 | Low | 61 Ų | 61 | 87.3 Ų | 87.3 | 43% | 0.427 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 177.3 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | L453 A454 M460 T461 | L453-S457 WeakPolarHBondContact O-CB 3.26Å; L453-S457 PolarHBondContact O-N 3.46Å; L453-S457 PolarHBondContact O-OG 2.98Å; L453-S457 VanDerWaalsContact O-OG 3.13Å; A454-S457 WeakPolarHBondContact CA-OG 3.45Å; A454-S457 PolarHBondContact O-OG 3.19Å; A454-S457 VanDerWaalsContact O-OG 3.12Å; S457-M460 PolarHBondContact O-N 2.87Å; S457-T461 WeakPolarHBondContact O-CB 3.37Å; S457-T461 VanDerWaalsContact O-CG2 3.22Å; S457-T461 WeakPolarHBondContact O-CG2 3.23Å; S457-T461 PolarHBondContact O-N 3.38Å; S457-T461 PolarHBondContact O-OG1 3.19Å |
| 458 | R | 76.5 | Confident | 68 | Low | 167 Ų | 167 | 88.4 Ų | 88.4 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 172.3 | -76.8 | -175.2 | -68.5 | 177.1 | 3.1 | 112.4 | A454 A455 M456 T461 S462 | A454-R458 VanDerWaalsContact O-CG 3.3Å; A454-R458 WeakPolarHBondContact O-CG 3.38Å; A454-R458 PolarHBondContact O-N 3.08Å; A454-R458 PolarHBondContact O-NE 3.4Å; A455-R458 PolarHBondContact O-N 2.78Å; M456-R458 VanDerWaalsContact C-N 3.35Å; M456-R458 PolarHBondContact O-N 2.99Å; R458-T461 PolarHBondContact O-OG1 3.12Å; R458-S462 PolarHBondContact O-N 3.2Å |
| 459 | G | 66.9 | Low | 67.1 | Low | 7 Ų | 7 | 89.6 Ų | 89.6 | 7% | 0.072 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -75.2 | -24.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A455 M456 S462 | A455-G459 PolarHBondContact O-N 3.45Å; A455-G459 VanDerWaalsContact O-N 3.14Å; M456-G459 PolarHBondContact O-N 3.46Å; G459-S462 PolarHBondContact O-OG 3.47Å; G459-S462 VanDerWaalsContact O-OG 3.1Å |
| 460 | M | 64.3 | Low | 66.3 | Low | 127 Ų | 127 | 90.3 Ų | 90.3 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -81.4 | -26.6 | 175.6 | -69.8 | 174.3 | 77.2 | 0 | 0 | 112.6 | M456 S457 | M456-M460 WeakPolarHBondContact O-CB 3.39Å; M456-M460 WeakPolarHBondContact O-CG 2.97Å; M456-M460 PolarHBondContact O-N 3.24Å; S457-M460 PolarHBondContact O-N 2.87Å |
| 461 | T | 62.2 | Low | 65.3 | Low | 111 Ų | 111 | 86.3 Ų | 86.3 | 68% | 0.681 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -89.6 | -10.5 | 178.6 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | S457 R458 A463 | S457-T461 WeakPolarHBondContact O-CB 3.37Å; S457-T461 VanDerWaalsContact O-CG2 3.22Å; S457-T461 WeakPolarHBondContact O-CG2 3.23Å; S457-T461 PolarHBondContact O-N 3.38Å; S457-T461 PolarHBondContact O-OG1 3.19Å; R458-T461 PolarHBondContact O-OG1 3.12Å; T461-A463 VanDerWaalsContact C-N 3.28Å; T461-A463 PolarHBondContact O-N 3.46Å |
| 462 | S | 53 | Low | 64.2 | Low | 76 Ų | 76 | 87.2 Ų | 87.2 | 53% | 0.531 | 53% | 0.531 | S | S | . | . | trans | -68.6 | 89.8 | 171.4 | 63.4 | 0 | 0 | 0 | 0 | 109.8 | R458 G459 T464 | R458-S462 PolarHBondContact O-N 3.2Å; G459-S462 PolarHBondContact O-OG 3.47Å; G459-S462 VanDerWaalsContact O-OG 3.1Å; S462-T464 PolarHBondContact O-N 3.27Å; S462-T464 VanDerWaalsContact O-N 3.14Å | ||
| 463 | A | 46.1 | Very low | 62.8 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 72% | 0.719 | 56% | 0.555 | S | S | * | * | trans | -61.3 | 111.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T461 | T461-A463 VanDerWaalsContact C-N 3.28Å; T461-A463 PolarHBondContact O-N 3.46Å | ||
| 464 | T | 43.2 | Very low | 61.2 | Low | 100 Ų | 100 | 88.8 Ų | 88.8 | 61% | 0.613 | 55% | 0.549 | S | S | * | . | trans | 43.6 | 108.8 | 150.7 | 48.1 | 0 | 0 | 0 | 0 | 118.2 | S462 | S462-T464 PolarHBondContact O-N 3.27Å; S462-T464 VanDerWaalsContact O-N 3.14Å | ||
| 465 | P | 44.8 | Very low | 59.5 | Low | 128 Ų | 128 | 92.2 Ų | 92.2 | 83% | 0.831 | 56% | 0.562 | S | S | * | * | trans | -77.1 | 109.1 | 134.3 | 23.4 | -10.1 | 0 | 0 | 0 | 107.8 | ||||
| 466 | S | 33.5 | Very low | 57.8 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | trans | -54.9 | 150.8 | 159 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 467 | P | 40.1 | Very low | 55.6 | Low | 201 Ų | 201 | 105.8 Ų | 105.8 | 100% | 1.305 | 65% | 0.648 | S | S | * | * | trans | -60.1 | 0 | -167.7 | 25.4 | -36.3 | 0 | 0 | 0 | 115.2 |
Retrieved 467 of 467 residues in 287.4 ms
(Link to these results)