| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 63.6 | Low | 125 Ų | 125 | 74.3 Ų | 74.3 | 62% | 0.616 | 38% | 0.38 | S | S | * | . | 0 | 143.1 | 0 | -160.8 | -176.7 | 90.6 | 0 | 0 | 108.8 | L3 D292 L298 | M1-L3 HydrophobicContact CE-CD2 4.36Å; M1-L3 PolarHBondContact O-N 3.15Å; M1-D292 HydrophobicContact SD-CB 3.29Å; M1-D292 WeakPolarHBondContact SD-CB 3.27Å; M1-L298 HydrophobicContact CE-CD1 3.75Å; M1-L298 HydrophobicContact CE-CD2 3.23Å; M1-L298 HydrophobicContact CE-CG 4.15Å; M1-L298 HydrophobicContact SD-CD2 3.31Å; M1-L298 WeakPolarHBondContact SD-CD2 3.25Å | |||
| 2 | K | 43.4 | Very low | 64.4 | Low | 181 Ų | 181 | 71.1 Ų | 71.1 | 79% | 0.787 | 37% | 0.368 | S | S | * | . | trans | -81.1 | 107 | 168.7 | -80.2 | -178.9 | 176.3 | 179 | 0 | 107.4 | ||||
| 3 | L | 50 | Low | 65.7 | Low | 30 Ų | 30 | 68.6 Ų | 68.6 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | trans | -60.6 | 143.8 | 162 | -76 | 159.5 | 0 | 0 | 0 | 108.2 | M1 L41 V44 Q45 L298 | M1-L3 HydrophobicContact CE-CD2 4.36Å; M1-L3 PolarHBondContact O-N 3.15Å; L3-L41 HydrophobicContact CB-CD1 4.11Å; L3-L41 WeakPolarHBondContact O-CD1 3.32Å; L3-V44 HydrophobicContact CB-CG2 4.43Å; L3-V44 HydrophobicContact CD1-CB 3.92Å; L3-V44 HydrophobicContact CD1-CG2 3.54Å; L3-Q45 HydrophobicContact CB-CG 4.25Å; L3-Q45 PolarHBondContact O-NE2 3.07Å; L3-L298 HydrophobicContact CD2-CD1 3.78Å | ||
| 4 | D | 65.4 | Low | 67.2 | Low | 82 Ų | 82 | 68.1 Ų | 68.1 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | trans | -97.4 | 140.9 | 170.9 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | D6 E7 L8 | D4-D6 VanDerWaalsContact C-N 3.25Å; D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 2.92Å; D4-E7 PolarHBondContact O-N 3.38Å; D4-L8 WeakPolarHBondContact O-CB 3.42Å; D4-L8 PolarHBondContact O-N 3.31Å; D4-L8 VanDerWaalsContact O-N 3.12Å | ||
| 5 | I | 71 | Confident | 68.3 | Low | 24 Ų | 24 | 77.5 Ų | 77.5 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.4 | -30.2 | -177.4 | -166.3 | 66.2 | 0 | 0 | 0 | 111.8 | L8 L9 V10 K37 C40 L41 | I5-L8 HydrophobicContact CD1-CD2 4.22Å; I5-L8 PolarHBondContact O-N 3.49Å; I5-L9 HydrophobicContact CD1-CB 3.98Å; I5-L9 HydrophobicContact CD1-CD2 4.14Å; I5-L9 HydrophobicContact CG1-CB 4.31Å; I5-L9 HydrophobicContact CG1-CD2 4.36Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 PolarHBondContact O-N 2.83Å; I5-V10 PolarHBondContact O-N 3.35Å; I5-K37 HydrophobicContact CD1-CB 4.23Å; I5-K37 HydrophobicContact CD1-CG 4.47Å; I5-K37 WeakPolarHBondContact CD1-O 3.41Å; I5-K37 HydrophobicContact CG1-CB 3.82Å; I5-K37 HydrophobicContact CG1-CD 4.44Å; I5-K37 HydrophobicContact CG1-CG 3.89Å; I5-C40 HydrophobicContact CD1-CB 3.89Å; I5-L41 HydrophobicContact CB-CD1 4.18Å; I5-L41 HydrophobicContact CD1-CB 4.49Å; I5-L41 HydrophobicContact CD1-CD1 4.37Å |
| 6 | D | 69.9 | Low | 69.5 | Low | 85 Ų | 85 | 75.8 Ų | 75.8 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -69.1 | -37.4 | -179.1 | -81.4 | -17.1 | 0 | 0 | 0 | 112 | D4 V10 S11 | D4-D6 VanDerWaalsContact C-N 3.25Å; D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 2.92Å; D6-V10 PolarHBondContact O-N 3.23Å; D6-V10 WeakPolarHBondContact OD1-CG2 3.39Å; D6-S11 VanDerWaalsContact O-CB 3.25Å; D6-S11 WeakPolarHBondContact O-CB 3.21Å; D6-S11 PolarHBondContact O-N 3.39Å; D6-S11 PolarHBondContact O-OG 3.47Å; D6-S11 VanDerWaalsContact O-OG 3.06Å |
| 7 | E | 68 | Low | 70.6 | Confident | 110 Ų | 110 | 75.4 Ų | 75.4 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -74.6 | -39.1 | 174.2 | -68.9 | -171.8 | 160.7 | 0 | 0 | 112.4 | D4 P12 | D4-E7 PolarHBondContact O-N 3.38Å; E7-P12 VanDerWaalsContact O-CD 3.32Å; E7-P12 WeakPolarHBondContact O-CD 3.34Å; E7-P12 WeakPolarHBondContact O-CG 3.49Å |
| 8 | L | 65 | Low | 71.9 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | I | π-helix | trans | -71 | -44.8 | -176.2 | -179.7 | 74.7 | 0 | 0 | 0 | 112.8 | D4 I5 L41 V44 | D4-L8 WeakPolarHBondContact O-CB 3.42Å; D4-L8 PolarHBondContact O-N 3.31Å; D4-L8 VanDerWaalsContact O-N 3.12Å; I5-L8 HydrophobicContact CD1-CD2 4.22Å; I5-L8 PolarHBondContact O-N 3.49Å; L8-L41 HydrophobicContact CD2-CD1 4.44Å; L8-V44 HydrophobicContact CD1-CB 4.43Å; L8-V44 HydrophobicContact CD1-CG1 4.18Å; L8-V44 HydrophobicContact CD1-CG2 4Å; L8-V44 HydrophobicContact CD2-CB 4.35Å; L8-V44 HydrophobicContact CD2-CG1 4.11Å; L8-V44 HydrophobicContact CD2-CG2 3.37Å; L8-V44 HydrophobicContact CG-CG2 4.3Å |
| 9 | L | 73 | Confident | 72.9 | Confident | 40 Ų | 40 | 81.4 Ų | 81.4 | 21% | 0.209 | 42% | 0.415 | C | S | . | . | I | π-helix | trans | -122.8 | -52.9 | -163.4 | -174.6 | 84.3 | 0 | 0 | 0 | 111.6 | I5 A13 L32 L35 | I5-L9 HydrophobicContact CD1-CB 3.98Å; I5-L9 HydrophobicContact CD1-CD2 4.14Å; I5-L9 HydrophobicContact CG1-CB 4.31Å; I5-L9 HydrophobicContact CG1-CD2 4.36Å; I5-L9 WeakPolarHBondContact O-CB 3.47Å; I5-L9 PolarHBondContact O-N 2.83Å; L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 2.87Å; L9-A13 VanDerWaalsContact O-N 3.13Å; L9-L32 HydrophobicContact CD2-CD2 4.22Å; L9-L32 HydrophobicContact CG-CD2 4.19Å; L9-L35 HydrophobicContact CD1-CD1 4.07Å; L9-L35 HydrophobicContact CD2-CD1 3.78Å; L9-L35 HydrophobicContact CG-CD1 4.39Å |
| 10 | V | 75.6 | Confident | 73.8 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 12% | 0.121 | 41% | 0.406 | C | S | . | . | I | π-helix | trans | -72.8 | -50.6 | -167.2 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | I5 D6 A13 K14 | I5-V10 PolarHBondContact O-N 3.35Å; D6-V10 PolarHBondContact O-N 3.23Å; D6-V10 WeakPolarHBondContact OD1-CG2 3.39Å; V10-A13 PolarHBondContact O-N 2.82Å; V10-K14 HydrophobicContact CG1-CD 4.06Å; V10-K14 HydrophobicContact CG1-CG 4.47Å; V10-K14 WeakPolarHBondContact O-CB 3.23Å; V10-K14 WeakPolarHBondContact O-CG 3.46Å; V10-K14 PolarHBondContact O-N 3.08Å |
| 11 | S | 75.8 | Confident | 74.8 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 52% | 0.524 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | -179.4 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | D6 A13 K14 R15 | D6-S11 VanDerWaalsContact O-CB 3.25Å; D6-S11 WeakPolarHBondContact O-CB 3.21Å; D6-S11 PolarHBondContact O-N 3.39Å; D6-S11 PolarHBondContact O-OG 3.47Å; D6-S11 VanDerWaalsContact O-OG 3.06Å; S11-A13 PolarHBondContact O-N 2.99Å; S11-K14 PolarHBondContact O-N 2.69Å; S11-R15 PolarHBondContact O-N 3.25Å |
| 12 | P | 73.5 | Confident | 77.3 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 23% | 0.234 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.8 | -24.7 | 35.3 | 0 | 0 | 0 | 113.4 | E7 K14 R15 | E7-P12 VanDerWaalsContact O-CD 3.32Å; E7-P12 WeakPolarHBondContact O-CD 3.34Å; E7-P12 WeakPolarHBondContact O-CG 3.49Å; P12-K14 VanDerWaalsContact C-N 3.29Å; P12-K14 PolarHBondContact O-N 2.77Å; P12-R15 WeakPolarHBondContact O-CG 3.49Å; P12-R15 PolarHBondContact O-N 3.23Å |
| 13 | A | 80.8 | Confident | 79.7 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -33.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 V10 S11 L32 | L9-A13 WeakPolarHBondContact O-CB 3.46Å; L9-A13 PolarHBondContact O-N 2.87Å; L9-A13 VanDerWaalsContact O-N 3.13Å; V10-A13 PolarHBondContact O-N 2.82Å; S11-A13 PolarHBondContact O-N 2.99Å; A13-L32 HydrophobicContact CB-CD1 4.15Å; A13-L32 HydrophobicContact CB-CD2 3.74Å; A13-L32 HydrophobicContact CB-CG 4.41Å |
| 14 | K | 86.7 | Confident | 81.9 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 12 | -178.9 | -66.3 | -167.2 | 174.1 | -172.1 | 0 | 114.5 | V10 S11 P12 C16 W17 Q29 L32 | V10-K14 HydrophobicContact CG1-CD 4.06Å; V10-K14 HydrophobicContact CG1-CG 4.47Å; V10-K14 WeakPolarHBondContact O-CB 3.23Å; V10-K14 WeakPolarHBondContact O-CG 3.46Å; V10-K14 PolarHBondContact O-N 3.08Å; S11-K14 PolarHBondContact O-N 2.69Å; P12-K14 VanDerWaalsContact C-N 3.29Å; P12-K14 PolarHBondContact O-N 2.77Å; K14-C16 PolarHBondContact O-N 3.42Å; K14-C16 VanDerWaalsContact O-N 3.11Å; K14-W17 HydrophobicContact CB-CB 4.18Å; K14-W17 HydrophobicContact CB-CE3 4.18Å; K14-W17 HydrophobicContact CD-CD2 4.18Å; K14-W17 HydrophobicContact CD-CE3 3.77Å; K14-W17 HydrophobicContact CD-CZ3 4.06Å; K14-W17 HydrophobicContact CG-CD2 4.35Å; K14-W17 HydrophobicContact CG-CE3 3.63Å; K14-W17 HydrophobicContact CG-CZ3 4.1Å; K14-W17 WeakPolarHBondContact O-CB 3.45Å; K14-W17 PolarHBondContact O-N 2.98Å; K14-Q29 VanDerWaalsContact CE-OE1 3.24Å; K14-L32 HydrophobicContact CG-CD1 4.08Å |
| 15 | R | 84.4 | Confident | 83.3 | Confident | 209 Ų | 209 | 78 Ų | 78 | 79% | 0.789 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.7 | -177.3 | 74.5 | -178.1 | -173.9 | -169.6 | -1.9 | 114.8 | S11 P12 | S11-R15 PolarHBondContact O-N 3.25Å; P12-R15 WeakPolarHBondContact O-CG 3.49Å; P12-R15 PolarHBondContact O-N 3.23Å |
| 16 | C | 86.2 | Confident | 84.4 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 33% | 0.331 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 15.7 | 178.6 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | K14 S18 E19 | K14-C16 PolarHBondContact O-N 3.42Å; K14-C16 VanDerWaalsContact O-N 3.11Å; C16-S18 VanDerWaalsContact C-N 3.26Å; C16-S18 PolarHBondContact O-N 3.37Å; C16-S18 VanDerWaalsContact O-N 3.14Å; C16-E19 WeakPolarHBondContact O-CB 3.36Å; C16-E19 PolarHBondContact O-N 2.9Å |
| 17 | W | 89.8 | Confident | 85.6 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 27% | 0.265 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -54.5 | -39.5 | -168.7 | -173.3 | -91.1 | 0 | 0 | 0 | 113.7 | K14 E19 L20 Q25 L28 Q29 | K14-W17 HydrophobicContact CB-CB 4.18Å; K14-W17 HydrophobicContact CB-CE3 4.18Å; K14-W17 HydrophobicContact CD-CD2 4.18Å; K14-W17 HydrophobicContact CD-CE3 3.77Å; K14-W17 HydrophobicContact CD-CZ3 4.06Å; K14-W17 HydrophobicContact CG-CD2 4.35Å; K14-W17 HydrophobicContact CG-CE3 3.63Å; K14-W17 HydrophobicContact CG-CZ3 4.1Å; K14-W17 WeakPolarHBondContact O-CB 3.45Å; K14-W17 PolarHBondContact O-N 2.98Å; W17-E19 VanDerWaalsContact C-N 3.25Å; W17-E19 PolarHBondContact O-N 3.4Å; W17-L20 PolarHBondContact O-N 3.25Å; W17-Q25 HydrophobicContact CD2-CG 4.12Å; W17-Q25 HydrophobicContact CE3-CG 4.47Å; W17-Q25 HydrophobicContact CH2-CB 3.81Å; W17-Q25 HydrophobicContact CH2-CG 4.29Å; W17-Q25 VanDerWaalsContact CH2-O 3.32Å; W17-Q25 WeakPolarHBondContact CH2-O 3.44Å; W17-Q25 HydrophobicContact CZ2-CB 3.69Å; W17-Q25 HydrophobicContact CZ2-CG 3.92Å; W17-Q25 HydrophobicContact CZ3-CB 4.34Å; W17-Q25 PolarHBondContact O-NE2 3.03Å; W17-L28 HydrophobicContact CE3-CD2 3.85Å; W17-L28 HydrophobicContact CZ3-CB 4.23Å; W17-L28 HydrophobicContact CZ3-CD2 3.88Å; W17-L28 HydrophobicContact CZ3-CG 4.12Å; W17-Q29 HydrophobicContact CH2-CB 4.11Å |
| 18 | S | 92.5 | Very high | 86.7 | Confident | 109 Ų | 109 | 81.7 Ų | 81.7 | 76% | 0.762 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -69.2 | -17.8 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | C16 | C16-S18 VanDerWaalsContact C-N 3.26Å; C16-S18 PolarHBondContact O-N 3.37Å; C16-S18 VanDerWaalsContact O-N 3.14Å |
| 19 | E | 92.5 | Very high | 88.1 | Confident | 155 Ų | 155 | 82.1 Ų | 82.1 | 72% | 0.724 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -93.1 | -12.5 | -179.9 | -62.5 | 172 | -159.8 | 0 | 0 | 112.4 | C16 W17 | C16-E19 WeakPolarHBondContact O-CB 3.36Å; C16-E19 PolarHBondContact O-N 2.9Å; W17-E19 VanDerWaalsContact C-N 3.25Å; W17-E19 PolarHBondContact O-N 3.4Å |
| 20 | L | 90.4 | Very high | 89 | Confident | 47 Ų | 47 | 86.6 Ų | 86.6 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -81.1 | 140.7 | -178.8 | -62.3 | -177.3 | 0 | 0 | 0 | 111.2 | W17 E24 Q25 L28 | W17-L20 PolarHBondContact O-N 3.25Å; L20-E24 HydrophobicContact CB-CB 3.85Å; L20-E24 HydrophobicContact CD1-CB 4.45Å; L20-E24 HydrophobicContact CD2-CB 4.1Å; L20-E24 HydrophobicContact CG-CB 4.34Å; L20-Q25 HydrophobicContact CB-CG 3.65Å; L20-Q25 HydrophobicContact CD1-CG 4.4Å; L20-Q25 PolarHBondContact O-NE2 2.92Å; L20-L28 HydrophobicContact CD1-CD2 3.76Å |
| 21 | T | 95.3 | Very high | 89.8 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | trans | -63.3 | 160.8 | 165.5 | 61.6 | 0 | 0 | 0 | 0 | 111 | E23 E24 Q25 | T21-E23 PolarHBondContact O-N 3.48Å; T21-E24 WeakPolarHBondContact CB-OE2 3.41Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.37Å; T21-E24 PolarHBondContact N-OE2 2.89Å; T21-E24 WeakPolarHBondContact O-CB 3.29Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact OG1-CD 3.23Å; T21-E24 VanDerWaalsContact OG1-CG 3.24Å; T21-E24 WeakPolarHBondContact OG1-CG 3.27Å; T21-E24 PolarHBondContact OG1-N 2.85Å; T21-E24 PolarHBondContact OG1-OE2 3Å; T21-Q25 PolarHBondContact O-N 3.34Å | ||
| 22 | N | 94.7 | Very high | 90.4 | Very high | 131 Ų | 131 | 88.2 Ų | 88.2 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -56.1 | -38.1 | 179.3 | -69.4 | -19.7 | 0 | 0 | 0 | 112.9 | Q26 | N22-Q26 PolarHBondContact O-N 3.04Å |
| 23 | E | 93.9 | Very high | 91.1 | Very high | 137 Ų | 137 | 90.8 Ų | 90.8 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.4 | -37.8 | 176.3 | -72 | -174.6 | 170.2 | 0 | 0 | 112.4 | T21 R27 | T21-E23 PolarHBondContact O-N 3.48Å; E23-R27 WeakPolarHBondContact O-CB 3.37Å; E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.29Å; E23-R27 PolarHBondContact O-N 3.03Å; E23-R27 PolarHBondContact O-NE 3.47Å |
| 24 | E | 95.2 | Very high | 91.5 | Very high | 73 Ų | 73 | 93.5 Ų | 93.5 | 34% | 0.341 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 174.9 | -71.7 | 166.5 | 144.8 | 0 | 0 | 112 | L20 T21 Q26 R27 L28 | L20-E24 HydrophobicContact CB-CB 3.85Å; L20-E24 HydrophobicContact CD1-CB 4.45Å; L20-E24 HydrophobicContact CD2-CB 4.1Å; L20-E24 HydrophobicContact CG-CB 4.34Å; T21-E24 WeakPolarHBondContact CB-OE2 3.41Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.37Å; T21-E24 PolarHBondContact N-OE2 2.89Å; T21-E24 WeakPolarHBondContact O-CB 3.29Å; T21-E24 PolarHBondContact O-N 3.05Å; T21-E24 VanDerWaalsContact OG1-CD 3.23Å; T21-E24 VanDerWaalsContact OG1-CG 3.24Å; T21-E24 WeakPolarHBondContact OG1-CG 3.27Å; T21-E24 PolarHBondContact OG1-N 2.85Å; T21-E24 PolarHBondContact OG1-OE2 3Å; E24-Q26 PolarHBondContact O-N 3.34Å; E24-R27 PolarHBondContact O-N 3.23Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 PolarHBondContact O-N 3.19Å |
| 25 | Q | 95.6 | Very high | 91.3 | Very high | 43 Ų | 43 | 94 Ų | 94 | 20% | 0.201 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 174.4 | -71.9 | -176.6 | 1.1 | 0 | 0 | 111.4 | W17 L20 T21 L28 Q29 | W17-Q25 HydrophobicContact CD2-CG 4.12Å; W17-Q25 HydrophobicContact CE3-CG 4.47Å; W17-Q25 HydrophobicContact CH2-CB 3.81Å; W17-Q25 HydrophobicContact CH2-CG 4.29Å; W17-Q25 VanDerWaalsContact CH2-O 3.32Å; W17-Q25 WeakPolarHBondContact CH2-O 3.44Å; W17-Q25 HydrophobicContact CZ2-CB 3.69Å; W17-Q25 HydrophobicContact CZ2-CG 3.92Å; W17-Q25 HydrophobicContact CZ3-CB 4.34Å; W17-Q25 PolarHBondContact O-NE2 3.03Å; L20-Q25 HydrophobicContact CB-CG 3.65Å; L20-Q25 HydrophobicContact CD1-CG 4.4Å; L20-Q25 PolarHBondContact O-NE2 2.92Å; T21-Q25 PolarHBondContact O-N 3.34Å; Q25-L28 PolarHBondContact O-N 2.87Å; Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 PolarHBondContact O-N 2.94Å |
| 26 | Q | 93.7 | Very high | 91.3 | Very high | 133 Ų | 133 | 88 Ų | 88 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 176.1 | -80.8 | -174.5 | -4.1 | 0 | 0 | 112.1 | N22 E24 L28 Q29 Q30 | N22-Q26 PolarHBondContact O-N 3.04Å; E24-Q26 PolarHBondContact O-N 3.34Å; Q26-L28 PolarHBondContact O-N 3.35Å; Q26-Q29 PolarHBondContact O-N 2.65Å; Q26-Q30 WeakPolarHBondContact O-CB 3.47Å; Q26-Q30 WeakPolarHBondContact O-CG 3.31Å; Q26-Q30 PolarHBondContact O-N 3.39Å |
| 27 | R | 95.6 | Very high | 90.8 | Very high | 130 Ų | 130 | 89.1 Ų | 89.1 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 177.1 | -75.7 | -179 | -67.8 | -167.6 | 1.7 | 112.3 | E23 E24 Q31 | E23-R27 WeakPolarHBondContact O-CB 3.37Å; E23-R27 VanDerWaalsContact O-CG 3.31Å; E23-R27 WeakPolarHBondContact O-CG 3.29Å; E23-R27 PolarHBondContact O-N 3.03Å; E23-R27 PolarHBondContact O-NE 3.47Å; E24-R27 PolarHBondContact O-N 3.23Å; R27-Q31 WeakPolarHBondContact O-CG 3.14Å; R27-Q31 PolarHBondContact O-N 2.9Å; R27-Q31 VanDerWaalsContact O-N 3.11Å; R27-Q31 PolarHBondContact O-NE2 2.88Å |
| 28 | L | 91.5 | Very high | 89.9 | Confident | 34 Ų | 34 | 88.2 Ų | 88.2 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 176.8 | 179.4 | 58.9 | 0 | 0 | 0 | 111.4 | W17 L20 E24 Q25 Q26 Q31 L32 | W17-L28 HydrophobicContact CE3-CD2 3.85Å; W17-L28 HydrophobicContact CZ3-CB 4.23Å; W17-L28 HydrophobicContact CZ3-CD2 3.88Å; W17-L28 HydrophobicContact CZ3-CG 4.12Å; L20-L28 HydrophobicContact CD1-CD2 3.76Å; E24-L28 WeakPolarHBondContact O-CB 3.4Å; E24-L28 PolarHBondContact O-N 3.19Å; Q25-L28 PolarHBondContact O-N 2.87Å; Q26-L28 PolarHBondContact O-N 3.35Å; L28-Q31 WeakPolarHBondContact O-CB 3.48Å; L28-Q31 PolarHBondContact O-N 3.33Å; L28-L32 HydrophobicContact CD1-CG 4.47Å; L28-L32 HydrophobicContact CG-CD1 4.35Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.35Å |
| 29 | Q | 93 | Very high | 88.7 | Confident | 54 Ų | 54 | 91.3 Ų | 91.3 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.7 | -168.2 | 54.9 | 56.8 | 0 | 0 | 111.6 | K14 W17 Q25 Q26 Q31 L32 D33 | K14-Q29 VanDerWaalsContact CE-OE1 3.24Å; W17-Q29 HydrophobicContact CH2-CB 4.11Å; Q25-Q29 WeakPolarHBondContact O-CB 3.42Å; Q25-Q29 PolarHBondContact O-N 2.94Å; Q26-Q29 PolarHBondContact O-N 2.65Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 2.89Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-L32 VanDerWaalsContact O-N 3.15Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.23Å; Q29-D33 PolarHBondContact NE2-OD1 3.09Å; Q29-D33 PolarHBondContact NE2-OD2 3.25Å; Q29-D33 WeakPolarHBondContact O-CB 3.36Å; Q29-D33 PolarHBondContact O-N 3.48Å |
| 30 | Q | 92.5 | Very high | 87.4 | Confident | 135 Ų | 135 | 85.6 Ų | 85.6 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.8 | -41.1 | 175.5 | -77.7 | 178.5 | -5.3 | 0 | 0 | 112 | Q26 D33 S34 | Q26-Q30 WeakPolarHBondContact O-CB 3.47Å; Q26-Q30 WeakPolarHBondContact O-CG 3.31Å; Q26-Q30 PolarHBondContact O-N 3.39Å; Q30-D33 PolarHBondContact O-N 3.38Å; Q30-S34 VanDerWaalsContact O-CB 3.3Å; Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.49Å |
| 31 | Q | 92.7 | Very high | 86 | Confident | 121 Ų | 121 | 85 Ų | 85 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62 | -48.7 | 173.9 | -73.8 | 173.5 | 63 | 0 | 0 | 111.2 | R27 L28 Q29 D33 S34 L35 | R27-Q31 WeakPolarHBondContact O-CG 3.14Å; R27-Q31 PolarHBondContact O-N 2.9Å; R27-Q31 VanDerWaalsContact O-N 3.11Å; R27-Q31 PolarHBondContact O-NE2 2.88Å; L28-Q31 WeakPolarHBondContact O-CB 3.48Å; L28-Q31 PolarHBondContact O-N 3.33Å; Q29-Q31 VanDerWaalsContact C-N 3.3Å; Q29-Q31 PolarHBondContact O-N 2.89Å; Q31-D33 VanDerWaalsContact C-N 3.3Å; Q31-D33 PolarHBondContact O-N 3.3Å; Q31-S34 PolarHBondContact O-N 3.35Å; Q31-S34 PolarHBondContact O-OG 2.99Å; Q31-L35 WeakPolarHBondContact O-CG 3.28Å; Q31-L35 PolarHBondContact O-N 3.38Å |
| 32 | L | 87.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 88.3 Ų | 88.3 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 179.3 | -72.3 | 174.5 | 0 | 0 | 0 | 113.3 | L9 A13 K14 L28 Q29 L35 K37 | L9-L32 HydrophobicContact CD2-CD2 4.22Å; L9-L32 HydrophobicContact CG-CD2 4.19Å; A13-L32 HydrophobicContact CB-CD1 4.15Å; A13-L32 HydrophobicContact CB-CD2 3.74Å; A13-L32 HydrophobicContact CB-CG 4.41Å; K14-L32 HydrophobicContact CG-CD1 4.08Å; L28-L32 HydrophobicContact CD1-CG 4.47Å; L28-L32 HydrophobicContact CG-CD1 4.35Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.35Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-L32 VanDerWaalsContact O-N 3.15Å; L32-L35 HydrophobicContact CD2-CD1 4.42Å; L32-K37 WeakPolarHBondContact O-CE 3.41Å |
| 33 | D | 88.7 | Confident | 82.3 | Confident | 90 Ų | 90 | 82.9 Ų | 82.9 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -81.2 | -22.5 | 178.6 | -66.9 | -27.8 | 0 | 0 | 0 | 113.1 | Q29 Q30 Q31 L35 K37 | Q29-D33 WeakPolarHBondContact CG-OD2 3.23Å; Q29-D33 PolarHBondContact NE2-OD1 3.09Å; Q29-D33 PolarHBondContact NE2-OD2 3.25Å; Q29-D33 WeakPolarHBondContact O-CB 3.36Å; Q29-D33 PolarHBondContact O-N 3.48Å; Q30-D33 PolarHBondContact O-N 3.38Å; Q31-D33 VanDerWaalsContact C-N 3.3Å; Q31-D33 PolarHBondContact O-N 3.3Å; D33-L35 PolarHBondContact O-N 3.19Å; D33-K37 IonicContact OD1-NZ 3.78Å; D33-K37 PolarHBondContact OD1-NZ 3.35Å |
| 34 | S | 89 | Confident | 80.3 | Confident | 95 Ų | 95 | 78.8 Ų | 78.8 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -71.9 | -17.3 | 172.1 | 77.6 | 0 | 0 | 0 | 0 | 113.3 | Q30 Q31 | Q30-S34 VanDerWaalsContact O-CB 3.3Å; Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.49Å; Q31-S34 PolarHBondContact O-N 3.35Å; Q31-S34 PolarHBondContact O-OG 2.99Å |
| 35 | L | 83.3 | Confident | 78.1 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.7 | 131.9 | 179.3 | -66.7 | 170.4 | 0 | 0 | 0 | 111 | L9 Q31 L32 D33 K37 | L9-L35 HydrophobicContact CD1-CD1 4.07Å; L9-L35 HydrophobicContact CD2-CD1 3.78Å; L9-L35 HydrophobicContact CG-CD1 4.39Å; Q31-L35 WeakPolarHBondContact O-CG 3.28Å; Q31-L35 PolarHBondContact O-N 3.38Å; L32-L35 HydrophobicContact CD2-CD1 4.42Å; D33-L35 PolarHBondContact O-N 3.19Å; L35-K37 VanDerWaalsContact C-N 3.26Å; L35-K37 PolarHBondContact O-N 3.17Å |
| 36 | D | 83.1 | Confident | 75.8 | Confident | 83 Ų | 83 | 79 Ų | 79 | 44% | 0.444 | 39% | 0.389 | S | S | . | . | trans | -70.2 | 87.1 | 165.5 | -179.8 | -8.1 | 0 | 0 | 0 | 109.3 | S38 R39 C40 | D36-S38 PolarHBondContact O-N 2.93Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 3.11Å; D36-S38 VanDerWaalsContact OD1-N 3.1Å; D36-S38 PolarHBondContact OD1-OG 2.56Å; D36-R39 HydrophobicContact CB-CB 3.87Å; D36-R39 WeakPolarHBondContact O-CA 3.45Å; D36-R39 WeakPolarHBondContact O-CB 3.16Å; D36-R39 PolarHBondContact O-N 3.46Å; D36-R39 PolarHBondContact OD1-N 2.92Å; D36-R39 VanDerWaalsContact OD2-CB 3.27Å; D36-R39 WeakPolarHBondContact OD2-CB 3.34Å; D36-C40 PolarHBondContact O-N 2.81Å; D36-C40 PolarHBondContact O-SG 3.27Å | ||
| 37 | K | 77.3 | Confident | 73.6 | Confident | 72 Ų | 72 | 76.2 Ų | 76.2 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -51.6 | -36.5 | 178.5 | -74.4 | 174.4 | -166.4 | 168.7 | 0 | 112.1 | I5 L32 D33 L35 L41 | I5-K37 HydrophobicContact CD1-CB 4.23Å; I5-K37 HydrophobicContact CD1-CG 4.47Å; I5-K37 WeakPolarHBondContact CD1-O 3.41Å; I5-K37 HydrophobicContact CG1-CB 3.82Å; I5-K37 HydrophobicContact CG1-CD 4.44Å; I5-K37 HydrophobicContact CG1-CG 3.89Å; L32-K37 WeakPolarHBondContact O-CE 3.41Å; D33-K37 IonicContact OD1-NZ 3.78Å; D33-K37 PolarHBondContact OD1-NZ 3.35Å; L35-K37 VanDerWaalsContact C-N 3.26Å; L35-K37 PolarHBondContact O-N 3.17Å; K37-L41 WeakPolarHBondContact O-CB 3.29Å; K37-L41 PolarHBondContact O-N 3.18Å |
| 38 | S | 69.5 | Low | 71.3 | Confident | 52 Ų | 52 | 78.5 Ų | 78.5 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 177.3 | 84.6 | 0 | 0 | 0 | 0 | 112 | D36 L41 R42 | D36-S38 PolarHBondContact O-N 2.93Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 3.11Å; D36-S38 VanDerWaalsContact OD1-N 3.1Å; D36-S38 PolarHBondContact OD1-OG 2.56Å; S38-L41 PolarHBondContact O-N 3.1Å; S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 WeakPolarHBondContact O-CG 3.3Å; S38-R42 PolarHBondContact O-N 3.31Å; S38-R42 PolarHBondContact OG-NH2 3.4Å |
| 39 | R | 67.7 | Low | 69.4 | Low | 173 Ų | 173 | 77.8 Ų | 77.8 | 65% | 0.653 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -69.9 | -42.2 | 176.2 | -179.4 | 179 | 176.9 | -174 | -1.6 | 111.3 | D36 L41 R42 A43 | D36-R39 HydrophobicContact CB-CB 3.87Å; D36-R39 WeakPolarHBondContact O-CA 3.45Å; D36-R39 WeakPolarHBondContact O-CB 3.16Å; D36-R39 PolarHBondContact O-N 3.46Å; D36-R39 PolarHBondContact OD1-N 2.92Å; D36-R39 VanDerWaalsContact OD2-CB 3.27Å; D36-R39 WeakPolarHBondContact OD2-CB 3.34Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.02Å; R39-R42 PolarHBondContact O-N 3.01Å; R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.1Å; R39-A43 PolarHBondContact O-N 3.26Å |
| 40 | C | 65 | Low | 68 | Low | 36 Ų | 36 | 79.9 Ų | 79.9 | 24% | 0.243 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57 | -46.1 | 172.6 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | I5 D36 A43 V44 | I5-C40 HydrophobicContact CD1-CB 3.89Å; D36-C40 PolarHBondContact O-N 2.81Å; D36-C40 PolarHBondContact O-SG 3.27Å; C40-A43 PolarHBondContact O-N 3.04Å; C40-V44 PolarHBondContact O-N 2.93Å |
| 41 | L | 61.7 | Low | 66.6 | Low | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.183 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 178.9 | -156.6 | 67.3 | 0 | 0 | 0 | 112.1 | L3 I5 L8 K37 S38 R39 A43 V44 Q45 | L3-L41 HydrophobicContact CB-CD1 4.11Å; L3-L41 WeakPolarHBondContact O-CD1 3.32Å; I5-L41 HydrophobicContact CB-CD1 4.18Å; I5-L41 HydrophobicContact CD1-CB 4.49Å; I5-L41 HydrophobicContact CD1-CD1 4.37Å; L8-L41 HydrophobicContact CD2-CD1 4.44Å; K37-L41 WeakPolarHBondContact O-CB 3.29Å; K37-L41 PolarHBondContact O-N 3.18Å; S38-L41 PolarHBondContact O-N 3.1Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.02Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 2.85Å; L41-V44 VanDerWaalsContact O-CG2 3.27Å; L41-V44 WeakPolarHBondContact O-CG2 3.37Å; L41-V44 PolarHBondContact O-N 3.38Å; L41-Q45 VanDerWaalsContact CD2-NE2 3.29Å; L41-Q45 HydrophobicContact CG-CG 4.11Å; L41-Q45 VanDerWaalsContact O-CB 3.26Å; L41-Q45 WeakPolarHBondContact O-CB 3.3Å; L41-Q45 VanDerWaalsContact O-CG 3.24Å; L41-Q45 WeakPolarHBondContact O-CG 3.42Å; L41-Q45 PolarHBondContact O-N 3.43Å |
| 42 | R | 58.5 | Low | 65.6 | Low | 146 Ų | 146 | 71.7 Ų | 71.7 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.9 | -31.2 | 175.8 | -76.4 | -172.5 | -62.5 | -108.5 | -7.1 | 112.9 | S38 R39 V44 | S38-R42 WeakPolarHBondContact O-CB 3.41Å; S38-R42 WeakPolarHBondContact O-CG 3.3Å; S38-R42 PolarHBondContact O-N 3.31Å; S38-R42 PolarHBondContact OG-NH2 3.4Å; R39-R42 PolarHBondContact O-N 3.01Å; R42-V44 VanDerWaalsContact C-N 3.26Å; R42-V44 PolarHBondContact O-N 2.9Å |
| 43 | A | 54.3 | Low | 65.1 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.3 | -24.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R39 C40 L41 D272 | R39-A43 VanDerWaalsContact O-CB 3.28Å; R39-A43 WeakPolarHBondContact O-CB 3.1Å; R39-A43 PolarHBondContact O-N 3.26Å; C40-A43 PolarHBondContact O-N 3.04Å; L41-A43 VanDerWaalsContact C-N 3.25Å; L41-A43 PolarHBondContact O-N 2.85Å; A43-D272 PolarHBondContact O-N 3.26Å; A43-D272 VanDerWaalsContact O-N 3.16Å |
| 44 | V | 50.4 | Low | 64.6 | Low | 51 Ų | 51 | 69.9 Ų | 69.9 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -108 | -23.5 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 114.1 | L3 L8 C40 L41 R42 V46 | L3-V44 HydrophobicContact CB-CG2 4.43Å; L3-V44 HydrophobicContact CD1-CB 3.92Å; L3-V44 HydrophobicContact CD1-CG2 3.54Å; L8-V44 HydrophobicContact CD1-CB 4.43Å; L8-V44 HydrophobicContact CD1-CG1 4.18Å; L8-V44 HydrophobicContact CD1-CG2 4Å; L8-V44 HydrophobicContact CD2-CB 4.35Å; L8-V44 HydrophobicContact CD2-CG1 4.11Å; L8-V44 HydrophobicContact CD2-CG2 3.37Å; L8-V44 HydrophobicContact CG-CG2 4.3Å; C40-V44 PolarHBondContact O-N 2.93Å; L41-V44 VanDerWaalsContact O-CG2 3.27Å; L41-V44 WeakPolarHBondContact O-CG2 3.37Å; L41-V44 PolarHBondContact O-N 3.38Å; R42-V44 VanDerWaalsContact C-N 3.26Å; R42-V44 PolarHBondContact O-N 2.9Å; V44-V46 PolarHBondContact O-N 3.32Å |
| 45 | Q | 49.1 | Very low | 63.8 | Low | 45 Ų | 45 | 71.2 Ų | 71.2 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -67.9 | 130 | 174.5 | -80.5 | -179.1 | -8.4 | 0 | 0 | 108.3 | L3 L41 P47 | L3-Q45 HydrophobicContact CB-CG 4.25Å; L3-Q45 PolarHBondContact O-NE2 3.07Å; L41-Q45 VanDerWaalsContact CD2-NE2 3.29Å; L41-Q45 HydrophobicContact CG-CG 4.11Å; L41-Q45 VanDerWaalsContact O-CB 3.26Å; L41-Q45 WeakPolarHBondContact O-CB 3.3Å; L41-Q45 VanDerWaalsContact O-CG 3.24Å; L41-Q45 WeakPolarHBondContact O-CG 3.42Å; L41-Q45 PolarHBondContact O-N 3.43Å; Q45-P47 WeakPolarHBondContact O-CD 3.49Å |
| 46 | V | 48.6 | Very low | 63.2 | Low | 74 Ų | 74 | 74.3 Ų | 74.3 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | trans | -78.7 | 97.5 | 173 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | V44 L48 Q270 | V44-V46 PolarHBondContact O-N 3.32Å; V46-L48 PolarHBondContact O-N 3.33Å; V46-Q270 HydrophobicContact CB-CG 4.46Å; V46-Q270 HydrophobicContact CG1-CG 4.22Å; V46-Q270 HydrophobicContact CG2-CG 4.45Å | ||
| 47 | P | 46.9 | Very low | 62.5 | Low | 75 Ų | 75 | 73.2 Ų | 73.2 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | trans | -51.2 | 138.2 | 155.9 | 19 | -30.4 | 0 | 0 | 0 | 106.9 | Q45 C49 Q270 | Q45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-C49 PolarHBondContact O-N 3.36Å; P47-Q270 VanDerWaalsContact CD-CD 3.41Å; P47-Q270 PolarHBondContact O-NE2 3.18Å | ||
| 48 | L | 47.4 | Very low | 61.9 | Low | 178 Ų | 178 | 77.2 Ų | 77.2 | 93% | 0.932 | 38% | 0.383 | S | S | * | . | trans | -49.7 | 91.5 | -177.8 | -77 | 124.6 | 0 | 0 | 0 | 109.7 | V46 | V46-L48 PolarHBondContact O-N 3.33Š| ||
| 49 | C | 52.5 | Low | 61.5 | Low | 19 Ų | 19 | 81.1 Ų | 81.1 | 13% | 0.128 | 40% | 0.395 | C | S | . | . | trans | -54 | 148.6 | 151.7 | 173.8 | 0 | 0 | 0 | 0 | 105.1 | P47 C51 F367 | P47-C49 PolarHBondContact O-N 3.36Å; C49-C51 PolarHBondContact O-N 2.87Å; C49-F367 PolarHBondContact SG-O 3.49Å | ||
| 50 | K | 62.4 | Low | 61 | Low | 99 Ų | 99 | 76.6 Ų | 76.6 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 82.1 | 169.7 | -73.6 | -179.5 | 179.8 | -171.3 | 0 | 107.7 | M247 A368 V369 | K50-M247 HydrophobicContact CB-CE 3.66Å; K50-M247 HydrophobicContact CB-CG 4.46Å; K50-M247 HydrophobicContact CD-CB 3.84Å; K50-M247 HydrophobicContact CD-CE 3.76Å; K50-M247 HydrophobicContact CD-CG 4.07Å; K50-M247 HydrophobicContact CD-SD 3.88Å; K50-M247 HydrophobicContact CG-CE 3.79Å; K50-M247 PolarHBondContact NZ-O 2.99Å; K50-A368 HydrophobicContact CB-CB 4.26Å; K50-V369 PolarHBondContact O-N 3.25Å |
| 51 | C | 63.4 | Low | 61.6 | Low | 74 Ų | 74 | 77 Ų | 77 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.6 | 176.6 | -66.5 | 0 | 0 | 0 | 0 | 107.9 | C49 V369 | C49-C51 PolarHBondContact O-N 2.87Å; C51-V369 VanDerWaalsContact CA-O 3.31Å; C51-V369 WeakPolarHBondContact CA-O 3.44Å |
| 52 | C | 72.4 | Confident | 62.5 | Low | 9 Ų | 9 | 77.5 Ų | 77.5 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.2 | 175.9 | 174.5 | 0 | 0 | 0 | 0 | 107.9 | E57 F243 V369 L370 E371 | C52-E57 VanDerWaalsContact SG-CD 3.55Å; C52-E57 WeakPolarHBondContact SG-CG 3.37Å; C52-E57 PolarHBondContact SG-OE1 3.33Å; C52-F243 HydrophobicContact CB-CD2 4.08Å; C52-F243 HydrophobicContact CB-CE2 3.35Å; C52-F243 HydrophobicContact CB-CZ 3.9Å; C52-V369 PolarHBondContact N-O 3.47Å; C52-L370 HydrophobicContact CB-CD1 4.18Å; C52-E371 PolarHBondContact O-N 3.35Å |
| 53 | N | 76 | Confident | 63.8 | Low | 22 Ų | 22 | 76.2 Ų | 76.2 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 115.2 | 168.7 | 171.3 | -36.5 | 0 | 0 | 0 | 107 | E55 K56 E57 E371 | N53-E55 PolarHBondContact O-N 2.99Å; N53-E55 WeakPolarHBondContact OD1-CB 3.28Å; N53-E55 PolarHBondContact OD1-N 3.3Å; N53-K56 HydrophobicContact CB-CB 4.31Å; N53-K56 HydrophobicContact CB-CD 4.25Å; N53-K56 HydrophobicContact CB-CG 4.34Å; N53-K56 PolarHBondContact O-N 3.3Å; N53-K56 VanDerWaalsContact O-N 3.07Å; N53-K56 PolarHBondContact OD1-N 2.82Å; N53-E57 PolarHBondContact O-N 2.97Å; N53-E371 HydrophobicContact CB-CB 4.3Å; N53-E371 PolarHBondContact ND2-OE1 2.84Å |
| 54 | R | 78.1 | Confident | 65.6 | Low | 38 Ų | 38 | 78.7 Ų | 78.7 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -53.6 | -38.1 | -175 | -176 | 175.8 | -178 | 153 | 13.6 | 113.4 | R234 D237 W239 L370 E371 E377 | R54-R234 VanDerWaalsContact CZ-NH1 3.3Å; R54-R234 VanDerWaalsContact NH2-NH1 3.14Å; R54-D237 IonicContact NH1-OD1 2.9Å; R54-D237 IonicContact NH1-OD2 2.94Å; R54-D237 PolarHBondContact NH1-OD2 2.86Å; R54-D237 VanDerWaalsContact NH1-OD2 3.1Å; R54-W239 HydrophobicContact CB-CH2 4.12Å; R54-W239 HydrophobicContact CB-CZ2 4.3Å; R54-W239 HydrophobicContact CG-CD2 4.27Å; R54-W239 HydrophobicContact CG-CE3 4.46Å; R54-W239 HydrophobicContact CG-CH2 4.01Å; R54-W239 HydrophobicContact CG-CZ2 3.75Å; R54-W239 HydrophobicContact CG-CZ3 4.38Å; R54-W239 VanDerWaalsContact NH2-CB 3.28Å; R54-L370 HydrophobicContact CB-CD1 4.22Å; R54-E371 PolarHBondContact N-O 3.45Å; R54-E377 IonicContact CZ-OE1 3.09Å; R54-E377 IonicContact NH1-OE1 2.56Å; R54-E377 PolarHBondContact NH1-OE1 3.05Å |
| 55 | E | 72.6 | Confident | 67.7 | Low | 124 Ų | 124 | 76.7 Ų | 76.7 | 58% | 0.579 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -74 | -28.2 | -177.7 | -60.3 | -171.7 | 141.8 | 0 | 0 | 113.3 | N53 N373 | N53-E55 PolarHBondContact O-N 2.99Å; N53-E55 WeakPolarHBondContact OD1-CB 3.28Å; N53-E55 PolarHBondContact OD1-N 3.3Å; E55-N373 HydrophobicContact CG-CB 4.43Å; E55-N373 WeakPolarHBondContact OE1-CB 3.22Å; E55-N373 PolarHBondContact OE1-ND2 2.89Å |
| 56 | K | 69.5 | Low | 69.8 | Low | 138 Ų | 138 | 76.7 Ų | 76.7 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -88.2 | -6.8 | -176.9 | -64.8 | -178.4 | -177.6 | 176.5 | 0 | 113 | N53 | N53-K56 HydrophobicContact CB-CB 4.31Å; N53-K56 HydrophobicContact CB-CD 4.25Å; N53-K56 HydrophobicContact CB-CG 4.34Å; N53-K56 PolarHBondContact O-N 3.3Å; N53-K56 VanDerWaalsContact O-N 3.07Å; N53-K56 PolarHBondContact OD1-N 2.82Å |
| 57 | E | 68.6 | Low | 72 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -75.4 | 146.8 | 179.8 | -69.7 | -55.9 | 156.4 | 0 | 0 | 112.6 | C52 N53 L61 W239 | C52-E57 VanDerWaalsContact SG-CD 3.55Å; C52-E57 WeakPolarHBondContact SG-CG 3.37Å; C52-E57 PolarHBondContact SG-OE1 3.33Å; N53-E57 PolarHBondContact O-N 2.97Å; E57-L61 WeakPolarHBondContact OE2-CD1 3.46Å; E57-W239 HydrophobicContact CG-CH2 4.45Å; E57-W239 HydrophobicContact CG-CZ2 4.49Å |
| 58 | K | 64.7 | Low | 74.4 | Confident | 156 Ų | 156 | 73.4 Ų | 73.4 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | trans | -64.3 | 146.4 | 177.2 | -65.2 | -179.9 | -179.6 | 179.3 | 0 | 110.5 | S60 L61 N62 | K58-S60 PolarHBondContact O-N 3.31Å; K58-S60 VanDerWaalsContact O-N 3.11Å; K58-L61 WeakPolarHBondContact O-CB 3.36Å; K58-L61 PolarHBondContact O-N 3.27Å; K58-N62 PolarHBondContact O-N 2.8Å | ||
| 59 | H | 61.1 | Low | 76.8 | Confident | 134 Ų | 134 | 65 Ų | 65 | 62% | 0.62 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -50.2 | -40.4 | 178.4 | -168.2 | -82 | 0 | 0 | 0 | 113.6 | L61 N62 E63 | H59-L61 VanDerWaalsContact C-N 3.31Å; H59-L61 PolarHBondContact O-N 3.43Å; H59-N62 WeakPolarHBondContact O-CB 3.43Å; H59-N62 PolarHBondContact O-N 2.88Å; H59-N62 VanDerWaalsContact O-N 3.1Å; H59-E63 IonicContact CE1-OE1 3.24Å; H59-E63 PolarHBondContact CE1-OE1 2.87Å; H59-E63 IonicContact ND1-OE1 3.39Å; H59-E63 PolarHBondContact O-N 3.19Å; H59-E63 VanDerWaalsContact O-N 3.17Å |
| 60 | S | 58.3 | Low | 79 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -33.4 | 178.6 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | K58 E64 | K58-S60 PolarHBondContact O-N 3.31Å; K58-S60 VanDerWaalsContact O-N 3.11Å; S60-E64 PolarHBondContact O-N 3.4Å |
| 61 | L | 77.4 | Confident | 80.6 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.3 | -32.2 | 174.6 | -69.5 | 168.8 | 0 | 0 | 0 | 111.3 | E57 K58 H59 E64 F65 | E57-L61 WeakPolarHBondContact OE2-CD1 3.46Å; K58-L61 WeakPolarHBondContact O-CB 3.36Å; K58-L61 PolarHBondContact O-N 3.27Å; H59-L61 VanDerWaalsContact C-N 3.31Å; H59-L61 PolarHBondContact O-N 3.43Å; L61-E64 PolarHBondContact O-N 2.89Å; L61-F65 HydrophobicContact CB-CE2 4.48Å; L61-F65 HydrophobicContact CB-CZ 4.38Å; L61-F65 HydrophobicContact CD2-CE1 4.41Å; L61-F65 HydrophobicContact CD2-CZ 4.28Å; L61-F65 WeakPolarHBondContact O-CG 3.01Å; L61-F65 PolarHBondContact O-N 3Å |
| 62 | N | 79.7 | Confident | 82.3 | Confident | 46 Ų | 46 | 59 Ų | 59 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.7 | -75.8 | -31.8 | 0 | 0 | 0 | 112.5 | K58 H59 S66 W239 | K58-N62 PolarHBondContact O-N 2.8Å; H59-N62 WeakPolarHBondContact O-CB 3.43Å; H59-N62 PolarHBondContact O-N 2.88Å; H59-N62 VanDerWaalsContact O-N 3.1Å; N62-S66 WeakPolarHBondContact O-CB 3.2Å; N62-S66 PolarHBondContact O-N 3.42Å; N62-S66 PolarHBondContact O-OG 2.92Å; N62-W239 VanDerWaalsContact OD1-CZ2 3.3Å; N62-W239 WeakPolarHBondContact OD1-CZ2 3.35Å; N62-W239 PolarHBondContact OD1-NE1 3.39Å |
| 63 | E | 86.6 | Confident | 83.5 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.6 | -42 | 175.4 | -69.4 | 179.8 | 165.3 | 0 | 0 | 111.9 | H59 F65 S66 S67 | H59-E63 IonicContact CE1-OE1 3.24Å; H59-E63 PolarHBondContact CE1-OE1 2.87Å; H59-E63 IonicContact ND1-OE1 3.39Å; H59-E63 PolarHBondContact O-N 3.19Å; H59-E63 VanDerWaalsContact O-N 3.17Å; E63-F65 PolarHBondContact O-N 3.26Å; E63-S66 PolarHBondContact O-N 3.21Å; E63-S67 WeakPolarHBondContact O-CB 3.47Å; E63-S67 PolarHBondContact O-N 3.24Å |
| 64 | E | 92.1 | Very high | 84.5 | Confident | 69 Ų | 69 | 59 Ų | 59 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 177.3 | -175.1 | -174.4 | 161.1 | 0 | 0 | 111.3 | S60 L61 S67 L68 R246 | S60-E64 PolarHBondContact O-N 3.4Å; L61-E64 PolarHBondContact O-N 2.89Å; E64-S67 WeakPolarHBondContact O-CB 3.3Å; E64-S67 PolarHBondContact O-N 3.27Å; E64-L68 HydrophobicContact CG-CD1 4.06Å; E64-L68 WeakPolarHBondContact O-CB 3.46Å; E64-L68 VanDerWaalsContact O-CG 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 3.49Å; E64-R246 VanDerWaalsContact OE1-CD 3.23Å; E64-R246 WeakPolarHBondContact OE1-CD 3.38Å; E64-R246 IonicContact OE1-NE 2.69Å; E64-R246 PolarHBondContact OE1-NE 3.46Å |
| 65 | F | 93.7 | Very high | 85.4 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.8 | -44.1 | -178 | -62 | -13.5 | 0 | 0 | 0 | 111.8 | L61 E63 S67 L68 G69 W239 G242 F243 R246 | L61-F65 HydrophobicContact CB-CE2 4.48Å; L61-F65 HydrophobicContact CB-CZ 4.38Å; L61-F65 HydrophobicContact CD2-CE1 4.41Å; L61-F65 HydrophobicContact CD2-CZ 4.28Å; L61-F65 WeakPolarHBondContact O-CG 3.01Å; L61-F65 PolarHBondContact O-N 3Å; E63-F65 PolarHBondContact O-N 3.26Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 2.99Å; F65-L68 PolarHBondContact O-N 2.91Å; F65-G69 PolarHBondContact O-N 2.86Å; F65-W239 HydrophobicContact CB-CD2 4.09Å; F65-W239 HydrophobicContact CB-CG 4.21Å; F65-W239 HydrophobicContact CD2-CD2 4.06Å; F65-W239 AromaticContact CD2-CE2 3.7Å; F65-W239 HydrophobicContact CD2-CE3 4.09Å; F65-W239 AromaticContact CD2-CH2 3.48Å; F65-W239 HydrophobicContact CD2-CH2 3.48Å; F65-W239 VanDerWaalsContact CD2-CH2 3.48Å; F65-W239 AromaticContact CD2-CZ2 3.45Å; F65-W239 HydrophobicContact CD2-CZ2 3.45Å; F65-W239 VanDerWaalsContact CD2-CZ2 3.45Å; F65-W239 AromaticContact CD2-CZ3 3.77Å; F65-W239 HydrophobicContact CD2-CZ3 3.77Å; F65-W239 AromaticContact CE2-CH2 3.76Å; F65-W239 HydrophobicContact CE2-CH2 3.76Å; F65-W239 AromaticContact CE2-CZ2 3.97Å; F65-W239 HydrophobicContact CE2-CZ2 3.97Å; F65-W239 HydrophobicContact CE2-CZ3 4.27Å; F65-G242 VanDerWaalsContact O-CA 3.3Å; F65-G242 WeakPolarHBondContact O-CA 3.22Å; F65-F243 HydrophobicContact CD2-CB 4.1Å; F65-F243 HydrophobicContact CE2-CB 4.44Å; F65-F243 HydrophobicContact CE2-CD2 4.11Å; F65-F243 HydrophobicContact CG-CB 4.4Å; F65-R246 HydrophobicContact CD1-CB 4.16Å; F65-R246 HydrophobicContact CE1-CB 3.72Å; F65-R246 HydrophobicContact CE1-CG 3.7Å; F65-R246 HydrophobicContact CZ-CG 4.39Å |
| 66 | S | 93.5 | Very high | 86.6 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | N62 E63 G69 M70 | N62-S66 WeakPolarHBondContact O-CB 3.2Å; N62-S66 PolarHBondContact O-N 3.42Å; N62-S66 PolarHBondContact O-OG 2.92Å; E63-S66 PolarHBondContact O-N 3.21Å; S66-G69 PolarHBondContact O-N 3.46Å; S66-M70 WeakPolarHBondContact O-CB 3.43Å; S66-M70 VanDerWaalsContact O-CG 3.29Å; S66-M70 WeakPolarHBondContact O-CG 3.23Å; S66-M70 PolarHBondContact O-N 3.19Å |
| 67 | S | 95.9 | Very high | 88 | Confident | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | E63 E64 F65 G69 M70 D71 R128 | E63-S67 WeakPolarHBondContact O-CB 3.47Å; E63-S67 PolarHBondContact O-N 3.24Å; E64-S67 WeakPolarHBondContact O-CB 3.3Å; E64-S67 PolarHBondContact O-N 3.27Å; F65-S67 VanDerWaalsContact C-N 3.28Å; F65-S67 PolarHBondContact O-N 2.99Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.03Å; S67-M70 PolarHBondContact O-N 3.33Å; S67-D71 WeakPolarHBondContact O-CB 3.32Å; S67-D71 PolarHBondContact O-N 2.76Å; S67-R128 PolarHBondContact O-NH1 3.32Å; S67-R128 PolarHBondContact OG-NH2 3.23Å |
| 68 | L | 97 | Very high | 89.4 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 177.5 | -72 | 173.6 | 0 | 0 | 0 | 112 | E64 F65 A72 R245 R246 | E64-L68 HydrophobicContact CG-CD1 4.06Å; E64-L68 WeakPolarHBondContact O-CB 3.46Å; E64-L68 VanDerWaalsContact O-CG 3.31Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 3.49Å; F65-L68 PolarHBondContact O-N 2.91Å; L68-A72 PolarHBondContact O-N 3.16Å; L68-R245 PolarHBondContact O-NH1 3Å; L68-R246 HydrophobicContact CD1-CB 4.45Å |
| 69 | G | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.4 | -52.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F65 S66 S67 D71 A72 I73 P238 | F65-G69 PolarHBondContact O-N 2.86Å; S66-G69 PolarHBondContact O-N 3.46Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-G69 PolarHBondContact O-N 3.03Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.09Å; G69-A72 WeakPolarHBondContact O-CB 3.28Å; G69-A72 PolarHBondContact O-N 3.16Å; G69-I73 PolarHBondContact O-N 3.14Å; G69-P238 WeakPolarHBondContact CA-O 3.46Å |
| 70 | M | 97.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -36.5 | -179.8 | -74 | -58.3 | -66.5 | 0 | 0 | 111.8 | S66 S67 A72 I73 A74 L121 M124 A125 R128 P238 | S66-M70 WeakPolarHBondContact O-CB 3.43Å; S66-M70 VanDerWaalsContact O-CG 3.29Å; S66-M70 WeakPolarHBondContact O-CG 3.23Å; S66-M70 PolarHBondContact O-N 3.19Å; S67-M70 PolarHBondContact O-N 3.33Å; M70-A72 VanDerWaalsContact C-N 3.33Å; M70-A72 PolarHBondContact O-N 3.09Å; M70-I73 PolarHBondContact O-N 3.24Å; M70-I73 HydrophobicContact SD-CD1 4.2Å; M70-A74 WeakPolarHBondContact O-CB 3.29Å; M70-A74 PolarHBondContact O-N 3.34Å; M70-L121 HydrophobicContact SD-CD2 4.33Å; M70-M124 HydrophobicContact CE-CB 3.87Å; M70-A125 HydrophobicContact CE-CB 3.76Å; M70-R128 VanDerWaalsContact CB-NH1 3.27Å; M70-P238 HydrophobicContact CG-CB 3.88Å; M70-P238 HydrophobicContact CG-CG 4.16Å; M70-P238 HydrophobicContact SD-CB 3.9Å; M70-P238 HydrophobicContact SD-CG 3.51Å; M70-P238 VanDerWaalsContact SD-CG 3.51Å |
| 71 | D | 97.2 | Very high | 94.7 | Very high | 50 Ų | 50 | 32.8 Ų | 32.8 | 27% | 0.267 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 172.6 | -84.9 | 22.4 | 0 | 0 | 0 | 112.6 | S67 G69 K75 R128 | S67-D71 WeakPolarHBondContact O-CB 3.32Å; S67-D71 PolarHBondContact O-N 2.76Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.09Å; D71-K75 WeakPolarHBondContact O-CB 3.5Å; D71-K75 WeakPolarHBondContact O-CD 3.25Å; D71-K75 VanDerWaalsContact O-CG 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 2.99Å; D71-R128 IonicContact OD1-CZ 3.44Å; D71-R128 IonicContact OD1-NH1 2.86Å; D71-R128 PolarHBondContact OD1-NH1 2.94Å; D71-R128 IonicContact OD1-NH2 3.25Å |
| 72 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.4 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L68 G69 M70 K75 G76 Q77 V78 Y222 I241 | L68-A72 PolarHBondContact O-N 3.16Å; G69-A72 WeakPolarHBondContact O-CB 3.28Å; G69-A72 PolarHBondContact O-N 3.16Å; M70-A72 VanDerWaalsContact C-N 3.33Å; M70-A72 PolarHBondContact O-N 3.09Å; A72-K75 PolarHBondContact O-N 3.45Å; A72-G76 PolarHBondContact O-N 2.83Å; A72-Q77 WeakPolarHBondContact O-CB 3.46Å; A72-Q77 PolarHBondContact O-N 2.84Å; A72-V78 HydrophobicContact CB-CG2 3.84Å; A72-Y222 HydrophobicContact CB-CD2 4.04Å; A72-Y222 HydrophobicContact CB-CE2 4.11Å; A72-I241 HydrophobicContact CB-CG2 3.98Å |
| 73 | I | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -50.3 | 173.5 | -64.9 | 172.2 | 0 | 0 | 0 | 110.1 | G69 M70 K75 G76 V78 L121 A125 I136 P238 I241 | G69-I73 PolarHBondContact O-N 3.14Å; M70-I73 PolarHBondContact O-N 3.24Å; M70-I73 HydrophobicContact SD-CD1 4.2Å; I73-K75 PolarHBondContact O-N 3.01Å; I73-G76 PolarHBondContact O-N 3.04Å; I73-V78 HydrophobicContact CG1-CB 4.12Å; I73-V78 HydrophobicContact CG1-CG1 4.39Å; I73-V78 HydrophobicContact CG1-CG2 3.83Å; I73-L121 HydrophobicContact CD1-CD1 4.4Å; I73-L121 HydrophobicContact CD1-CD2 4.46Å; I73-A125 HydrophobicContact CB-CB 4.47Å; I73-A125 HydrophobicContact CG2-CB 3.74Å; I73-I136 HydrophobicContact CG2-CD1 3.94Å; I73-I136 HydrophobicContact CG2-CG1 4.11Å; I73-P238 HydrophobicContact CD1-CB 4.37Å; I73-P238 HydrophobicContact CD1-CG 3.82Å; I73-I241 HydrophobicContact CD1-CD1 4.5Å; I73-I241 HydrophobicContact CG1-CD1 4.46Å |
| 74 | A | 97.5 | Very high | 97 | Very high | 30 Ų | 30 | 23.5 Ų | 23.5 | 25% | 0.248 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -32.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | M70 G76 A125 V133 | M70-A74 WeakPolarHBondContact O-CB 3.29Å; M70-A74 PolarHBondContact O-N 3.34Å; A74-G76 PolarHBondContact O-N 2.89Å; A74-A125 HydrophobicContact CB-CB 4.38Å; A74-V133 HydrophobicContact CB-CG1 3.97Å |
| 75 | K | 97 | Very high | 96.6 | Very high | 129 Ų | 129 | 20.6 Ų | 20.6 | 56% | 0.561 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 3.3 | 174.3 | -70.5 | 170.5 | -176.3 | 169.3 | 0 | 113.9 | D71 A72 I73 Q77 | D71-K75 WeakPolarHBondContact O-CB 3.5Å; D71-K75 WeakPolarHBondContact O-CD 3.25Å; D71-K75 VanDerWaalsContact O-CG 3.23Å; D71-K75 WeakPolarHBondContact O-CG 3.47Å; D71-K75 PolarHBondContact O-N 2.99Å; A72-K75 PolarHBondContact O-N 3.45Å; I73-K75 PolarHBondContact O-N 3.01Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 HydrophobicContact CB-CG 3.87Å; K75-Q77 PolarHBondContact O-N 2.79Å |
| 76 | G | 97.5 | Very high | 96 | Very high | 15 Ų | 15 | 22.3 Ų | 22.3 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 28.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A72 I73 A74 I220 | A72-G76 PolarHBondContact O-N 2.83Å; I73-G76 PolarHBondContact O-N 3.04Å; A74-G76 PolarHBondContact O-N 2.89Å; G76-I220 WeakPolarHBondContact O-CD1 3.13Å |
| 77 | Q | 98.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 23.6 Ų | 23.6 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | trans | -97.4 | 4.4 | -173.7 | -62.1 | -178.2 | -24.2 | 0 | 0 | 113.7 | A72 K75 R221 Y222 | A72-Q77 WeakPolarHBondContact O-CB 3.46Å; A72-Q77 PolarHBondContact O-N 2.84Å; K75-Q77 VanDerWaalsContact C-N 3.3Å; K75-Q77 HydrophobicContact CB-CG 3.87Å; K75-Q77 PolarHBondContact O-N 2.79Å; Q77-R221 HydrophobicContact CB-CB 4.24Å; Q77-R221 HydrophobicContact CB-CG 4.27Å; Q77-R221 HydrophobicContact CG-CG 4.38Å; Q77-R221 PolarHBondContact O-N 2.74Å; Q77-Y222 HydrophobicContact CB-CD2 4.48Å; Q77-Y222 PolarHBondContact O-N 3.36Å | ||
| 78 | V | 98.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.3 | -171.3 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | A72 I73 Y222 A236 I241 | A72-V78 HydrophobicContact CB-CG2 3.84Å; I73-V78 HydrophobicContact CG1-CB 4.12Å; I73-V78 HydrophobicContact CG1-CG1 4.39Å; I73-V78 HydrophobicContact CG1-CG2 3.83Å; V78-Y222 WeakPolarHBondContact CA-O 3.4Å; V78-A236 HydrophobicContact CG1-CB 4.27Å; V78-I241 HydrophobicContact CB-CD1 4.47Å; V78-I241 HydrophobicContact CG1-CD1 3.67Å; V78-I241 HydrophobicContact CG2-CD1 3.94Å; V78-I241 HydrophobicContact CG2-CG2 4.37Å |
| 79 | A | 98.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 162.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T137 L215 I220 Y222 V223 H224 | A79-T137 CarbonylContact C-O 3.56Å; A79-T137 VanDerWaalsContact CA-O 3.29Å; A79-T137 WeakPolarHBondContact CA-O 3.37Å; A79-T137 WeakPolarHBondContact CB-O 3.42Å; A79-L215 HydrophobicContact CB-CD2 3.68Å; A79-I220 HydrophobicContact CB-CD1 4.04Å; A79-I220 HydrophobicContact CB-CG1 4.14Å; A79-I220 HydrophobicContact CB-CG2 3.72Å; A79-Y222 PolarHBondContact N-O 3.46Å; A79-V223 WeakPolarHBondContact O-CA 3.46Å; A79-H224 PolarHBondContact O-N 3.36Å |
| 80 | V | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144 | 172.8 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | L118 I136 T137 W138 C139 H224 Y226 V235 A236 | V80-L118 HydrophobicContact CG1-CD2 4.4Å; V80-L118 HydrophobicContact CG2-CD1 4.14Å; V80-L118 HydrophobicContact CG2-CD2 4.13Å; V80-I136 HydrophobicContact CG1-CG2 4.32Å; V80-I136 HydrophobicContact CG2-CG2 4.48Å; V80-T137 PolarHBondContact N-O 2.55Å; V80-W138 HydrophobicContact CG2-CB 4.03Å; V80-W138 VanDerWaalsContact CG2-CD1 3.48Å; V80-W138 HydrophobicContact CG2-CG 3.8Å; V80-C139 PolarHBondContact O-N 2.83Å; V80-H224 CarbonylContact C-O 3.5Å; V80-H224 WeakPolarHBondContact CA-O 3.41Å; V80-H224 HydrophobicContact CG1-CB 4.22Å; V80-Y226 HydrophobicContact CB-CE1 4.12Å; V80-V235 HydrophobicContact CB-CG1 4.3Å; V80-V235 HydrophobicContact CG1-CG1 3.94Å; V80-V235 HydrophobicContact CG2-CG1 4.14Å; V80-A236 HydrophobicContact CG1-CB 3.6Å |
| 81 | I | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 122.2 | 171.1 | -60.2 | 169.9 | 0 | 0 | 0 | 108.8 | L83 C139 F170 L202 L206 V223 H224 V225 Y226 L314 | I81-L83 HydrophobicContact CG2-CD2 4.28Å; I81-C139 CarbonylContact C-O 3.52Å; I81-C139 VanDerWaalsContact CA-O 3.26Å; I81-C139 WeakPolarHBondContact CA-O 3.35Å; I81-C139 HydrophobicContact CG1-CB 3.93Å; I81-F170 HydrophobicContact CG2-CE1 4.22Å; I81-F170 HydrophobicContact CG2-CZ 3.94Å; I81-L202 HydrophobicContact CD1-CD1 4.3Å; I81-L202 HydrophobicContact CG2-CD1 3.81Å; I81-L206 HydrophobicContact CD1-CD1 3.96Å; I81-L206 HydrophobicContact CD1-CD2 3.85Å; I81-L206 HydrophobicContact CD1-CG 4.47Å; I81-V223 HydrophobicContact CD1-CG1 3.38Å; I81-V223 HydrophobicContact CG1-CG1 3.58Å; I81-H224 PolarHBondContact N-O 3.26Å; I81-V225 HydrophobicContact CB-CB 4.35Å; I81-V225 HydrophobicContact CB-CG1 4Å; I81-V225 HydrophobicContact CB-CG2 4Å; I81-V225 HydrophobicContact CD1-CG2 4.01Å; I81-V225 HydrophobicContact CG1-CG2 4.37Å; I81-V225 HydrophobicContact CG2-CG1 4.11Å; I81-V225 WeakPolarHBondContact O-CA 3.48Å; I81-Y226 WeakPolarHBondContact O-CD1 3.48Å; I81-Y226 PolarHBondContact O-N 2.83Å; I81-L314 HydrophobicContact CD1-CD1 4.48Å |
| 82 | L | 98.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.7 | 174 | 176.1 | 55.8 | 0 | 0 | 0 | 110.9 | S84 F111 W138 C139 I140 M141 Y226 V228 | L82-S84 PolarHBondContact O-N 3.29Å; L82-F111 HydrophobicContact CD2-CD1 3.78Å; L82-F111 HydrophobicContact CD2-CE1 3.5Å; L82-W138 HydrophobicContact CD2-CZ2 3.73Å; L82-C139 PolarHBondContact N-O 2.8Å; L82-I140 HydrophobicContact CB-CG1 4.33Å; L82-I140 HydrophobicContact CD2-CD1 4.47Å; L82-I140 HydrophobicContact CD2-CG1 4.44Å; L82-I140 HydrophobicContact CD2-CG2 4.44Å; L82-M141 PolarHBondContact O-N 3.31Å; L82-Y226 HydrophobicContact CB-CE1 4.34Å; L82-Y226 HydrophobicContact CD1-CD2 4.04Å; L82-Y226 HydrophobicContact CD1-CE1 4.48Å; L82-Y226 HydrophobicContact CD1-CE2 3.53Å; L82-V228 VanDerWaalsContact CD1-CA 3.45Å; L82-V228 HydrophobicContact CD1-CB 3.57Å; L82-V228 HydrophobicContact CD1-CG2 4.09Å; L82-V228 HydrophobicContact CD2-CG2 4.27Å; L82-V228 HydrophobicContact CG-CB 4.32Å |
| 83 | L | 97.6 | Very high | 90.6 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 99.8 | 173.4 | -49.1 | 173.1 | 0 | 0 | 0 | 109 | I81 M141 N199 L202 V225 Y226 V228 I357 | I81-L83 HydrophobicContact CG2-CD2 4.28Å; L83-M141 HydrophobicContact CB-CE 4.46Å; L83-M141 HydrophobicContact CD2-CE 3.58Å; L83-M141 HydrophobicContact CD2-SD 4.28Å; L83-N199 HydrophobicContact CD1-CB 4.18Å; L83-L202 HydrophobicContact CD2-CD1 4.22Å; L83-L202 HydrophobicContact CD2-CD2 4.21Å; L83-V225 HydrophobicContact CD1-CG1 4.04Å; L83-V225 HydrophobicContact CD2-CG1 3.8Å; L83-V225 HydrophobicContact CG-CG1 3.94Å; L83-Y226 WeakPolarHBondContact CG-O 3.31Å; L83-Y226 PolarHBondContact N-O 3.26Å; L83-V228 PolarHBondContact O-N 3.38Å; L83-I357 HydrophobicContact CD1-CD1 3.58Å; L83-I357 HydrophobicContact CD2-CD1 4.37Å |
| 84 | S | 94.5 | Very high | 89.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | trans | -129.1 | 31 | -176 | -171.2 | 0 | 0 | 0 | 0 | 113.1 | L82 G86 F111 M141 T146 | L82-S84 PolarHBondContact O-N 3.29Å; S84-G86 VanDerWaalsContact C-N 3.31Å; S84-G86 PolarHBondContact O-N 2.91Å; S84-F111 WeakPolarHBondContact OG-CZ 3.47Å; S84-M141 CarbonylContact C-O 3.34Å; S84-M141 VanDerWaalsContact CA-O 3.29Å; S84-M141 WeakPolarHBondContact CA-O 3.43Å; S84-M141 PolarHBondContact N-O 2.89Å; S84-T146 PolarHBondContact O-OG1 3.46Å | ||
| 85 | G | 83.8 | Confident | 89.6 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | trans | -73 | -19.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | M141 S143 | G85-M141 PolarHBondContact N-O 3.44Å; G85-S143 WeakPolarHBondContact O-CB 3.32Å; G85-S143 PolarHBondContact O-OG 2.88Å | ||
| 86 | G | 81.9 | Confident | 89.3 | Confident | 46 Ų | 46 | 35.7 Ų | 35.7 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -93.4 | 151.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | S84 | S84-G86 VanDerWaalsContact C-N 3.31Å; S84-G86 PolarHBondContact O-N 2.91Å |
| 87 | Q | 81.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 36.3 Ų | 36.3 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | B | Isolated β-bridge | trans | -87 | 158.3 | 170.6 | -67.5 | 172.6 | -59 | 0 | 0 | 111.8 | T89 A94 T146 | Q87-T89 PolarHBondContact O-N 3.32Å; Q87-A94 PolarHBondContact NE2-O 3.01Å; Q87-T146 HydrophobicContact CG-CG2 3.97Å |
| 88 | G | 78.8 | Confident | 89 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -75.2 | 31.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | R90 L91 G92 S93 E95 | G88-R90 VanDerWaalsContact C-N 3.31Å; G88-R90 PolarHBondContact O-N 3.29Å; G88-L91 CarbonylContact O-C 3.11Å; G88-L91 VanDerWaalsContact O-CA 3.32Å; G88-L91 WeakPolarHBondContact O-CA 3.15Å; G88-L91 VanDerWaalsContact O-CB 3.25Å; G88-L91 WeakPolarHBondContact O-CB 3.36Å; G88-L91 PolarHBondContact O-N 3.22Å; G88-G92 PolarHBondContact O-N 3.45Å; G88-S93 CarbonylContact C-O 3.59Å; G88-S93 PolarHBondContact O-N 3.08Å; G88-S93 VanDerWaalsContact O-N 3.13Å; G88-E95 PolarHBondContact N-O 2.8Å | ||
| 89 | T | 78.7 | Confident | 88.8 | Confident | 99 Ų | 99 | 36.6 Ų | 36.6 | 61% | 0.607 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -59.3 | -38.8 | -167.7 | -43 | 0 | 0 | 0 | 0 | 113.1 | Q87 L91 G92 S93 | Q87-T89 PolarHBondContact O-N 3.32Å; T89-L91 PolarHBondContact O-N 3.11Å; T89-G92 PolarHBondContact O-N 2.93Å; T89-S93 VanDerWaalsContact CA-O 3.3Å; T89-S93 WeakPolarHBondContact CA-O 3.47Å; T89-S93 PolarHBondContact N-O 3.11Å; T89-S93 VanDerWaalsContact N-O 3.13Å |
| 90 | R | 78.7 | Confident | 88.6 | Confident | 169 Ų | 169 | 39.2 Ų | 39.2 | 64% | 0.638 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -68.1 | -19.3 | 175.2 | -68.7 | -174 | -176.8 | -179.6 | 2.8 | 113.7 | G88 G92 K382 A384 | G88-R90 VanDerWaalsContact C-N 3.31Å; G88-R90 PolarHBondContact O-N 3.29Å; R90-G92 VanDerWaalsContact C-N 3.28Å; R90-K382 WeakPolarHBondContact CB-O 3.4Å; R90-A384 PolarHBondContact O-N 3.13Å |
| 91 | L | 81 | Confident | 88.4 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -89.1 | 3.1 | 174.1 | -52.5 | 172.3 | 0 | 0 | 0 | 111.7 | G88 T89 K97 Y100 L381 N383 | G88-L91 CarbonylContact O-C 3.11Å; G88-L91 VanDerWaalsContact O-CA 3.32Å; G88-L91 WeakPolarHBondContact O-CA 3.15Å; G88-L91 VanDerWaalsContact O-CB 3.25Å; G88-L91 WeakPolarHBondContact O-CB 3.36Å; G88-L91 PolarHBondContact O-N 3.22Å; T89-L91 PolarHBondContact O-N 3.11Å; L91-K97 HydrophobicContact CD1-CD 4.31Å; L91-K97 HydrophobicContact CD1-CG 3.89Å; L91-Y100 HydrophobicContact CB-CD2 4.16Å; L91-Y100 HydrophobicContact CB-CE2 3.61Å; L91-Y100 HydrophobicContact CD1-CD2 3.57Å; L91-Y100 HydrophobicContact CD1-CE2 3.78Å; L91-Y100 HydrophobicContact CD1-CG 4Å; L91-Y100 HydrophobicContact CG-CD2 4.47Å; L91-Y100 HydrophobicContact CG-CE2 4.23Å; L91-L381 HydrophobicContact CD1-CD2 3.77Å; L91-L381 HydrophobicContact CD1-CG 3.88Å; L91-L381 HydrophobicContact CD2-CD1 3.94Å; L91-L381 HydrophobicContact CD2-CG 3.98Å; L91-N383 VanDerWaalsContact CD2-C 3.46Å; L91-N383 WeakPolarHBondContact CD2-O 3.44Å |
| 92 | G | 80.3 | Confident | 88.2 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 78% | 0.784 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 18.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G88 T89 R90 | G88-G92 PolarHBondContact O-N 3.45Å; T89-G92 PolarHBondContact O-N 2.93Å; R90-G92 VanDerWaalsContact C-N 3.28Å |
| 93 | S | 83.1 | Confident | 88.1 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | trans | -119.2 | 137.6 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | G88 T89 E95 | G88-S93 CarbonylContact C-O 3.59Å; G88-S93 PolarHBondContact O-N 3.08Å; G88-S93 VanDerWaalsContact O-N 3.13Å; T89-S93 VanDerWaalsContact CA-O 3.3Å; T89-S93 WeakPolarHBondContact CA-O 3.47Å; T89-S93 PolarHBondContact N-O 3.11Å; T89-S93 VanDerWaalsContact N-O 3.13Å; S93-E95 VanDerWaalsContact C-N 3.28Å; S93-E95 WeakPolarHBondContact OG-CB 3.29Å; S93-E95 PolarHBondContact OG-N 2.68Å | ||
| 94 | A | 83.6 | Confident | 88.1 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 60% | 0.603 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -81.1 | -11.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q87 | Q87-A94 PolarHBondContact NE2-O 3.01Š|
| 95 | E | 90.9 | Very high | 88.2 | Confident | 90 Ų | 90 | 47.5 Ų | 47.5 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -76 | 157.9 | -177.9 | -65 | -60.4 | 132.9 | 0 | 0 | 112.2 | G88 S93 K97 F99 | G88-E95 PolarHBondContact N-O 2.8Å; S93-E95 VanDerWaalsContact C-N 3.28Å; S93-E95 WeakPolarHBondContact OG-CB 3.29Å; S93-E95 PolarHBondContact OG-N 2.68Å; E95-K97 PolarHBondContact O-N 3.34Å; E95-F99 HydrophobicContact CB-CD2 3.9Å; E95-F99 HydrophobicContact CB-CE2 4.49Å; E95-F99 HydrophobicContact CG-CD2 4.22Å; E95-F99 WeakPolarHBondContact OE2-CD2 3.35Å; E95-F99 WeakPolarHBondContact OE2-CE2 3.11Å |
| 96 | P | 92.3 | Very high | 88.8 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -53 | 135.9 | 167.9 | -22.7 | 32.8 | 0 | 0 | 0 | 110.9 | G98 F99 T146 S149 V150 | P96-G98 PolarHBondContact O-N 3.33Å; P96-G98 VanDerWaalsContact O-N 3.1Å; P96-F99 HydrophobicContact CB-CD1 4.23Å; P96-F99 HydrophobicContact CB-CE1 4.08Å; P96-F99 HydrophobicContact CB-CZ 4.37Å; P96-F99 HydrophobicContact CG-CE1 4.01Å; P96-F99 HydrophobicContact CG-CE2 4.19Å; P96-F99 HydrophobicContact CG-CZ 3.81Å; P96-F99 WeakPolarHBondContact O-CB 3.29Å; P96-F99 PolarHBondContact O-N 3.26Å; P96-T146 HydrophobicContact CB-CG2 4.28Å; P96-T146 HydrophobicContact CG-CG2 4.06Å; P96-S149 WeakPolarHBondContact CG-OG 3.49Å; P96-V150 HydrophobicContact CB-CG2 3.65Å; P96-V150 HydrophobicContact CG-CG2 3.63Å |
| 97 | K | 93.2 | Very high | 89.5 | Confident | 29 Ų | 29 | 48.3 Ų | 48.3 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.5 | -28.3 | -174.9 | -168.5 | -174.2 | -76.8 | -168.8 | 0 | 113.2 | L91 E95 F99 Y100 V228 D229 L381 | L91-K97 HydrophobicContact CD1-CD 4.31Å; L91-K97 HydrophobicContact CD1-CG 3.89Å; E95-K97 PolarHBondContact O-N 3.34Å; K97-F99 PolarHBondContact O-N 2.86Å; K97-F99 VanDerWaalsContact O-N 3.16Å; K97-Y100 WeakPolarHBondContact O-CB 3.2Å; K97-Y100 PolarHBondContact O-N 3.04Å; K97-V228 HydrophobicContact CB-CG1 4.18Å; K97-V228 HydrophobicContact CD-CG1 4.4Å; K97-D229 HydrophobicContact CD-CB 3.48Å; K97-D229 VanDerWaalsContact CD-CB 3.48Å; K97-D229 IonicContact NZ-OD2 3.26Å; K97-D229 PolarHBondContact NZ-OD2 2.98Å; K97-L381 PolarHBondContact NZ-O 3.14Å |
| 98 | G | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63 | -17.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | P96 Y100 L110 F111 | P96-G98 PolarHBondContact O-N 3.33Å; P96-G98 VanDerWaalsContact O-N 3.1Å; G98-Y100 PolarHBondContact O-N 3.19Å; G98-L110 PolarHBondContact O-N 2.92Å; G98-F111 VanDerWaalsContact CA-CE2 3.49Å; G98-F111 WeakPolarHBondContact O-CD2 3.27Å; G98-F111 PolarHBondContact O-N 2.86Å |
| 99 | F | 94 | Very high | 91.2 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -74.3 | -18 | 174.7 | -66.9 | 9.9 | 0 | 0 | 0 | 112 | E95 P96 K97 N101 F111 S149 V150 F153 | E95-F99 HydrophobicContact CB-CD2 3.9Å; E95-F99 HydrophobicContact CB-CE2 4.49Å; E95-F99 HydrophobicContact CG-CD2 4.22Å; E95-F99 WeakPolarHBondContact OE2-CD2 3.35Å; E95-F99 WeakPolarHBondContact OE2-CE2 3.11Å; P96-F99 HydrophobicContact CB-CD1 4.23Å; P96-F99 HydrophobicContact CB-CE1 4.08Å; P96-F99 HydrophobicContact CB-CZ 4.37Å; P96-F99 HydrophobicContact CG-CE1 4.01Å; P96-F99 HydrophobicContact CG-CE2 4.19Å; P96-F99 HydrophobicContact CG-CZ 3.81Å; P96-F99 WeakPolarHBondContact O-CB 3.29Å; P96-F99 PolarHBondContact O-N 3.26Å; K97-F99 PolarHBondContact O-N 2.86Å; K97-F99 VanDerWaalsContact O-N 3.16Å; F99-N101 PolarHBondContact O-N 3.05Å; F99-F111 AromaticContact CD1-CD2 3.77Å; F99-F111 HydrophobicContact CD1-CD2 3.77Å; F99-F111 AromaticContact CD1-CE2 3.54Å; F99-F111 HydrophobicContact CD1-CE2 3.54Å; F99-F111 HydrophobicContact CE1-CD2 4.13Å; F99-F111 AromaticContact CE1-CE2 3.66Å; F99-F111 HydrophobicContact CE1-CE2 3.66Å; F99-S149 WeakPolarHBondContact CZ-O 3.28Å; F99-V150 HydrophobicContact CE1-CG2 4.26Å; F99-F153 HydrophobicContact CB-CE2 4.43Å; F99-F153 HydrophobicContact CB-CZ 4.44Å; F99-F153 HydrophobicContact CD1-CB 4.13Å; F99-F153 AromaticContact CD1-CD1 3.62Å; F99-F153 HydrophobicContact CD1-CD1 3.62Å; F99-F153 AromaticContact CD1-CD2 3.87Å; F99-F153 HydrophobicContact CD1-CD2 3.87Å; F99-F153 AromaticContact CD1-CE1 3.87Å; F99-F153 HydrophobicContact CD1-CE1 3.87Å; F99-F153 HydrophobicContact CD1-CE2 4.14Å; F99-F153 AromaticContact CD1-CG 3.61Å; F99-F153 HydrophobicContact CD1-CG 3.61Å; F99-F153 HydrophobicContact CD1-CZ 4.14Å; F99-F153 HydrophobicContact CD2-CD2 4.01Å; F99-F153 HydrophobicContact CD2-CE2 4.3Å; F99-F153 HydrophobicContact CD2-CG 4.45Å; F99-F153 HydrophobicContact CE1-CB 3.3Å; F99-F153 AromaticContact CE1-CD1 3.59Å; F99-F153 HydrophobicContact CE1-CD1 3.59Å; F99-F153 AromaticContact CE1-CD2 3.86Å; F99-F153 HydrophobicContact CE1-CD2 3.86Å; F99-F153 HydrophobicContact CE1-CE1 4.31Å; F99-F153 AromaticContact CE1-CG 3.31Å; F99-F153 HydrophobicContact CE1-CG 3.31Å; F99-F153 HydrophobicContact CE2-CB 4.11Å; F99-F153 AromaticContact CE2-CD2 3.95Å; F99-F153 HydrophobicContact CE2-CD2 3.95Å; F99-F153 HydrophobicContact CE2-CG 4.17Å; F99-F153 HydrophobicContact CG-CD1 4.46Å; F99-F153 AromaticContact CG-CD2 4Å; F99-F153 HydrophobicContact CG-CD2 4Å; F99-F153 HydrophobicContact CG-CE1 4.47Å; F99-F153 HydrophobicContact CG-CE2 4.04Å; F99-F153 HydrophobicContact CG-CG 4.22Å; F99-F153 HydrophobicContact CG-CZ 4.29Å; F99-F153 HydrophobicContact CZ-CB 3.31Å; F99-F153 HydrophobicContact CZ-CD1 4.38Å; F99-F153 AromaticContact CZ-CD2 3.91Å; F99-F153 HydrophobicContact CZ-CD2 3.91Å; F99-F153 AromaticContact CZ-CG 3.64Å; F99-F153 HydrophobicContact CZ-CG 3.64Å |
| 100 | Y | 94.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | trans | -63.3 | 126.8 | -168 | -154.8 | -83.3 | 0 | 0 | 0 | 110.9 | L91 K97 G98 V102 L110 L381 P392 | L91-Y100 HydrophobicContact CB-CD2 4.16Å; L91-Y100 HydrophobicContact CB-CE2 3.61Å; L91-Y100 HydrophobicContact CD1-CD2 3.57Å; L91-Y100 HydrophobicContact CD1-CE2 3.78Å; L91-Y100 HydrophobicContact CD1-CG 4Å; L91-Y100 HydrophobicContact CG-CD2 4.47Å; L91-Y100 HydrophobicContact CG-CE2 4.23Å; K97-Y100 WeakPolarHBondContact O-CB 3.2Å; K97-Y100 PolarHBondContact O-N 3.04Å; G98-Y100 PolarHBondContact O-N 3.19Å; Y100-V102 HydrophobicContact CD1-CG1 3.96Å; Y100-V102 HydrophobicContact CE1-CG1 4.33Å; Y100-L110 PolarHBondContact O-N 3.43Å; Y100-L381 HydrophobicContact CD1-CD2 3.6Å; Y100-L381 HydrophobicContact CE1-CD2 4.22Å; Y100-L381 HydrophobicContact CG-CD2 3.87Å; Y100-P392 HydrophobicContact CE1-CB 4.12Å; Y100-P392 HydrophobicContact CE1-CG 3.61Å; Y100-P392 VanDerWaalsContact OH-CG 3.28Å; Y100-P392 WeakPolarHBondContact OH-CG 3.38Å | ||
| 101 | N | 94.8 | Very high | 93 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -99 | 117.7 | 169.7 | 172.1 | -0.7 | 0 | 0 | 0 | 107.5 | F99 G103 G107 | F99-N101 PolarHBondContact O-N 3.05Å; N101-G103 PolarHBondContact O-N 3.36Å; N101-G103 WeakPolarHBondContact OD1-CA 3.41Å; N101-G103 PolarHBondContact OD1-N 2.79Å; N101-G107 VanDerWaalsContact CG-O 3.3Å; N101-G107 VanDerWaalsContact ND2-CA 3.32Å; N101-G107 WeakPolarHBondContact ND2-CA 3.37Å; N101-G107 PolarHBondContact ND2-O 3.42Å |
| 102 | V | 95.6 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | trans | -81.4 | 10.2 | -179.3 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | Y100 L104 I231 L381 P392 C395 R396 | Y100-V102 HydrophobicContact CD1-CG1 3.96Å; Y100-V102 HydrophobicContact CE1-CG1 4.33Å; V102-L104 HydrophobicContact CG2-CD1 4.38Å; V102-L104 HydrophobicContact CG2-CD2 3.93Å; V102-L104 HydrophobicContact CG2-CG 3.77Å; V102-I231 HydrophobicContact CG1-CD1 4.36Å; V102-I231 HydrophobicContact CG2-CD1 3.5Å; V102-I231 VanDerWaalsContact CG2-CD1 3.5Å; V102-L381 HydrophobicContact CG1-CD1 4.36Å; V102-L381 HydrophobicContact CG1-CD2 3.96Å; V102-P392 HydrophobicContact CB-CB 4.33Å; V102-C395 HydrophobicContact CG1-CB 4.37Å; V102-R396 HydrophobicContact CG2-CB 4.44Å; V102-R396 PolarHBondContact O-NH1 2.78Å | ||
| 103 | G | 96.3 | Very high | 94.7 | Very high | 41 Ų | 41 | 31 Ų | 31 | 42% | 0.423 | 19% | 0.191 | S | C | . | . | trans | 80 | 36.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N101 R396 | N101-G103 PolarHBondContact O-N 3.36Å; N101-G103 WeakPolarHBondContact OD1-CA 3.41Å; N101-G103 PolarHBondContact OD1-N 2.79Å; G103-R396 WeakPolarHBondContact O-CD 3.28Å | ||
| 104 | L | 97.5 | Very high | 95.5 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | trans | -69.2 | 154.1 | 169.6 | -58.7 | 179.6 | 0 | 0 | 0 | 110.4 | V102 S106 G107 L113 R396 L399 Y400 | V102-L104 HydrophobicContact CG2-CD1 4.38Å; V102-L104 HydrophobicContact CG2-CD2 3.93Å; V102-L104 HydrophobicContact CG2-CG 3.77Å; L104-S106 PolarHBondContact O-N 2.7Å; L104-G107 PolarHBondContact O-N 2.98Å; L104-L113 HydrophobicContact CD1-CD1 3.93Å; L104-L113 HydrophobicContact CD1-CD2 4.17Å; L104-R396 HydrophobicContact CD2-CB 4.47Å; L104-R396 HydrophobicContact CD2-CG 4Å; L104-L399 HydrophobicContact CD1-CD2 3.55Å; L104-L399 HydrophobicContact CD2-CD2 3.64Å; L104-L399 HydrophobicContact CG-CD2 4.26Å; L104-Y400 HydrophobicContact CD2-CE1 3.84Å | ||
| 105 | P | 97 | Very high | 96.2 | Very high | 62 Ų | 62 | 25.9 Ų | 25.9 | 40% | 0.403 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.1 | 175.5 | -27.3 | 34.3 | 0 | 0 | 0 | 113.4 | G107 Y400 V423 E425 V450 | P105-G107 VanDerWaalsContact C-N 3.3Å; P105-G107 PolarHBondContact O-N 2.87Å; P105-Y400 WeakPolarHBondContact CD-OH 3.33Å; P105-V423 HydrophobicContact CG-CG1 3.75Å; P105-E425 WeakPolarHBondContact CB-OE2 3.32Å; P105-E425 WeakPolarHBondContact CD-OE2 3.44Å; P105-E425 HydrophobicContact CG-CB 4.46Å; P105-V450 HydrophobicContact CB-CG2 3.68Å; P105-V450 HydrophobicContact CG-CG2 3.99Å |
| 106 | S | 96.2 | Very high | 96.5 | Very high | 38 Ų | 38 | 22 Ų | 22 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -19.9 | 174.5 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | L104 K108 E425 | L104-S106 PolarHBondContact O-N 2.7Å; S106-K108 PolarHBondContact O-N 3.28Å; S106-K108 WeakPolarHBondContact OG-CD 3.45Å; S106-K108 WeakPolarHBondContact OG-CG 3.43Å; S106-K108 PolarHBondContact OG-N 3Å; S106-E425 WeakPolarHBondContact CB-OE1 3.32Å; S106-E425 WeakPolarHBondContact CB-OE2 3.22Å; S106-E425 PolarHBondContact N-OE2 2.82Å; S106-E425 VanDerWaalsContact OG-CD 3.32Å; S106-E425 PolarHBondContact OG-OE1 2.95Å; S106-E425 PolarHBondContact OG-OE2 3.47Å |
| 107 | G | 96.7 | Very high | 96.8 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 34% | 0.34 | 13% | 0.134 | S | C | . | . | trans | 67.4 | 12.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N101 L104 P105 | N101-G107 VanDerWaalsContact CG-O 3.3Å; N101-G107 VanDerWaalsContact ND2-CA 3.32Å; N101-G107 WeakPolarHBondContact ND2-CA 3.37Å; N101-G107 PolarHBondContact ND2-O 3.42Å; L104-G107 PolarHBondContact O-N 2.98Å; P105-G107 VanDerWaalsContact C-N 3.3Å; P105-G107 PolarHBondContact O-N 2.87Å | ||
| 108 | K | 97.7 | Very high | 97.1 | Very high | 8 Ų | 8 | 21 Ų | 21 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | trans | -63.1 | 139.1 | -175.8 | -69.2 | 175.5 | 180 | 177.3 | 0 | 112.5 | S106 Q112 L113 E116 S427 E456 | S106-K108 PolarHBondContact O-N 3.28Å; S106-K108 WeakPolarHBondContact OG-CD 3.45Å; S106-K108 WeakPolarHBondContact OG-CG 3.43Å; S106-K108 PolarHBondContact OG-N 3Å; K108-Q112 HydrophobicContact CB-CB 4.37Å; K108-Q112 HydrophobicContact CB-CG 4.33Å; K108-Q112 HydrophobicContact CD-CG 4.37Å; K108-Q112 HydrophobicContact CG-CG 4.1Å; K108-L113 HydrophobicContact CB-CD2 3.89Å; K108-L113 HydrophobicContact CB-CG 4.01Å; K108-L113 HydrophobicContact CD-CD2 3.92Å; K108-E116 WeakPolarHBondContact CE-OE1 3.48Å; K108-E116 WeakPolarHBondContact CE-OE2 3.36Å; K108-E116 IonicContact NZ-OE1 2.73Å; K108-E116 PolarHBondContact NZ-OE1 3.08Å; K108-E116 IonicContact NZ-OE2 3.9Å; K108-E116 PolarHBondContact NZ-OE2 3.4Å; K108-S427 PolarHBondContact NZ-OG 3.37Å; K108-S427 VanDerWaalsContact NZ-OG 3.08Å; K108-E456 WeakPolarHBondContact CE-OE1 3.45Å; K108-E456 IonicContact NZ-OE1 2.76Å; K108-E456 PolarHBondContact NZ-OE1 2.46Å | ||
| 109 | S | 97.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 23 Ų | 23 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 162.8 | 170.2 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | F111 Q112 L113 | S109-F111 VanDerWaalsContact C-N 3.27Å; S109-F111 PolarHBondContact O-N 3.33Å; S109-Q112 PolarHBondContact O-N 2.98Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; S109-Q112 WeakPolarHBondContact OG-CB 3.2Å; S109-Q112 PolarHBondContact OG-N 3.4Å; S109-Q112 VanDerWaalsContact OG-N 3.14Å; S109-L113 WeakPolarHBondContact O-CG 3.47Å; S109-L113 PolarHBondContact O-N 2.98Å |
| 110 | L | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 172.9 | -65.5 | 178.5 | 0 | 0 | 0 | 112.4 | G98 Y100 L113 Q114 I231 L381 | G98-L110 PolarHBondContact O-N 2.92Å; Y100-L110 PolarHBondContact O-N 3.43Å; L110-L113 HydrophobicContact CD2-CD1 4.5Å; L110-Q114 VanDerWaalsContact O-CG 3.24Å; L110-Q114 WeakPolarHBondContact O-CG 3.44Å; L110-Q114 PolarHBondContact O-N 3.06Å; L110-I231 HydrophobicContact CD2-CB 4.24Å; L110-I231 HydrophobicContact CD2-CD1 4.46Å; L110-I231 HydrophobicContact CD2-CG1 4.09Å; L110-L381 HydrophobicContact CD1-CD2 3.93Å |
| 111 | F | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 174.8 | -74 | -43.5 | 0 | 0 | 0 | 112.1 | L82 S84 G98 F99 S109 Q114 A115 V150 F153 F154 F160 V228 | L82-F111 HydrophobicContact CD2-CD1 3.78Å; L82-F111 HydrophobicContact CD2-CE1 3.5Å; S84-F111 WeakPolarHBondContact OG-CZ 3.47Å; G98-F111 VanDerWaalsContact CA-CE2 3.49Å; G98-F111 WeakPolarHBondContact O-CD2 3.27Å; G98-F111 PolarHBondContact O-N 2.86Å; F99-F111 AromaticContact CD1-CD2 3.77Å; F99-F111 HydrophobicContact CD1-CD2 3.77Å; F99-F111 AromaticContact CD1-CE2 3.54Å; F99-F111 HydrophobicContact CD1-CE2 3.54Å; F99-F111 HydrophobicContact CE1-CD2 4.13Å; F99-F111 AromaticContact CE1-CE2 3.66Å; F99-F111 HydrophobicContact CE1-CE2 3.66Å; S109-F111 VanDerWaalsContact C-N 3.27Å; S109-F111 PolarHBondContact O-N 3.33Å; F111-Q114 PolarHBondContact O-N 3.3Å; F111-A115 WeakPolarHBondContact O-CB 3.25Å; F111-A115 PolarHBondContact O-N 2.65Å; F111-V150 HydrophobicContact CE2-CG1 4.31Å; F111-V150 HydrophobicContact CE2-CG2 4.18Å; F111-V150 HydrophobicContact CZ-CG1 4.1Å; F111-V150 HydrophobicContact CZ-CG2 4.08Å; F111-F153 HydrophobicContact CB-CE1 4.36Å; F111-F153 AromaticContact CD2-CD1 3.88Å; F111-F153 HydrophobicContact CD2-CD1 3.88Å; F111-F153 AromaticContact CD2-CE1 3.92Å; F111-F153 HydrophobicContact CD2-CE1 3.92Å; F111-F154 HydrophobicContact CB-CE1 4.38Å; F111-F154 HydrophobicContact CB-CE2 4.43Å; F111-F154 HydrophobicContact CB-CZ 3.84Å; F111-F154 HydrophobicContact CD1-CE2 4.04Å; F111-F154 AromaticContact CD1-CZ 3.83Å; F111-F154 HydrophobicContact CD1-CZ 3.83Å; F111-F154 HydrophobicContact CD2-CE2 4.06Å; F111-F154 HydrophobicContact CD2-CZ 4.3Å; F111-F154 HydrophobicContact CE1-CE2 4.25Å; F111-F154 HydrophobicContact CE1-CZ 4.44Å; F111-F154 HydrophobicContact CE2-CE2 4.27Å; F111-F154 AromaticContact CG-CE2 3.95Å; F111-F154 HydrophobicContact CG-CE2 3.95Å; F111-F154 AromaticContact CG-CZ 3.76Å; F111-F154 HydrophobicContact CG-CZ 3.76Å; F111-F154 HydrophobicContact CZ-CE2 4.36Å; F111-F160 HydrophobicContact CB-CE2 4.13Å; F111-V228 HydrophobicContact CD1-CG2 4.23Å; F111-V228 HydrophobicContact CE1-CG2 3.9Å |
| 112 | Q | 98.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 17.2 Ų | 17.2 | 22% | 0.22 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 179.2 | -177.5 | 172.3 | 3.1 | 0 | 0 | 111.7 | K108 S109 Q114 A115 E116 F160 | K108-Q112 HydrophobicContact CB-CB 4.37Å; K108-Q112 HydrophobicContact CB-CG 4.33Å; K108-Q112 HydrophobicContact CD-CG 4.37Å; K108-Q112 HydrophobicContact CG-CG 4.1Å; S109-Q112 PolarHBondContact O-N 2.98Å; S109-Q112 VanDerWaalsContact O-N 3.16Å; S109-Q112 WeakPolarHBondContact OG-CB 3.2Å; S109-Q112 PolarHBondContact OG-N 3.4Å; S109-Q112 VanDerWaalsContact OG-N 3.14Å; Q112-Q114 PolarHBondContact O-N 3.39Å; Q112-A115 PolarHBondContact O-N 3.32Å; Q112-E116 HydrophobicContact CG-CG 4.27Å; Q112-E116 VanDerWaalsContact CG-OE1 3.24Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.32Å; Q112-E116 PolarHBondContact NE2-OE1 2.88Å; Q112-E116 WeakPolarHBondContact O-CB 3.29Å; Q112-E116 WeakPolarHBondContact O-CG 3.47Å; Q112-E116 PolarHBondContact O-N 3.31Å; Q112-F160 HydrophobicContact CB-CD1 3.7Å; Q112-F160 HydrophobicContact CB-CE1 3.77Å; Q112-F160 HydrophobicContact CB-CG 4.13Å; Q112-F160 HydrophobicContact CB-CZ 4.27Å; Q112-F160 HydrophobicContact CG-CB 4.5Å; Q112-F160 HydrophobicContact CG-CD1 3.62Å; Q112-F160 HydrophobicContact CG-CE1 4.09Å; Q112-F160 HydrophobicContact CG-CG 4.16Å |
| 113 | L | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -55.7 | -41.5 | 177 | -68.5 | 171.5 | 0 | 0 | 0 | 111.7 | L104 K108 S109 L110 R117 I231 P428 | L104-L113 HydrophobicContact CD1-CD1 3.93Å; L104-L113 HydrophobicContact CD1-CD2 4.17Å; K108-L113 HydrophobicContact CB-CD2 3.89Å; K108-L113 HydrophobicContact CB-CG 4.01Å; K108-L113 HydrophobicContact CD-CD2 3.92Å; S109-L113 WeakPolarHBondContact O-CG 3.47Å; S109-L113 PolarHBondContact O-N 2.98Å; L110-L113 HydrophobicContact CD2-CD1 4.5Å; L113-R117 VanDerWaalsContact O-CG 3.28Å; L113-R117 WeakPolarHBondContact O-CG 3.25Å; L113-R117 PolarHBondContact O-N 3.45Å; L113-I231 HydrophobicContact CD1-CD1 4.28Å; L113-I231 HydrophobicContact CD1-CG1 4.01Å; L113-P428 HydrophobicContact CD2-CG 3.79Å |
| 114 | Q | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.5 | -38 | 179.4 | -67.7 | 171.3 | 25.5 | 0 | 0 | 112.6 | L110 F111 Q112 R117 L118 W138 Y226 V228 V233 V235 | L110-Q114 VanDerWaalsContact O-CG 3.24Å; L110-Q114 WeakPolarHBondContact O-CG 3.44Å; L110-Q114 PolarHBondContact O-N 3.06Å; F111-Q114 PolarHBondContact O-N 3.3Å; Q112-Q114 PolarHBondContact O-N 3.39Å; Q114-R117 PolarHBondContact O-N 3.3Å; Q114-L118 PolarHBondContact O-N 2.83Å; Q114-W138 HydrophobicContact CB-CH2 3.8Å; Q114-W138 HydrophobicContact CB-CZ2 3.85Å; Q114-Y226 HydrophobicContact CG-CE2 4.38Å; Q114-Y226 VanDerWaalsContact OE1-CE2 3.22Å; Q114-Y226 PolarHBondContact OE1-OH 3.11Å; Q114-V228 PolarHBondContact NE2-O 3.32Å; Q114-V233 HydrophobicContact CG-CG1 4.09Å; Q114-V235 HydrophobicContact CB-CG2 3.99Å; Q114-V235 HydrophobicContact CG-CG2 3.89Å |
| 115 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F111 Q112 R117 L118 L119 W138 F160 L162 | F111-A115 WeakPolarHBondContact O-CB 3.25Å; F111-A115 PolarHBondContact O-N 2.65Å; Q112-A115 PolarHBondContact O-N 3.32Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 3.49Å; A115-L118 WeakPolarHBondContact O-CB 3.4Å; A115-L118 PolarHBondContact O-N 2.92Å; A115-L118 VanDerWaalsContact O-N 3.13Å; A115-L119 PolarHBondContact O-N 3.21Å; A115-W138 HydrophobicContact CB-CH2 4.01Å; A115-W138 HydrophobicContact CB-CZ3 3.6Å; A115-F160 HydrophobicContact CB-CB 3.73Å; A115-F160 HydrophobicContact CB-CD2 4.22Å; A115-F160 HydrophobicContact CB-CG 4.3Å; A115-L162 HydrophobicContact CB-CD1 3.69Å; A115-L162 HydrophobicContact CB-CG 4.24Å |
| 116 | E | 98.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.2 | -34.8 | -180 | -71.5 | 179.6 | -169.8 | 0 | 0 | 112 | K108 Q112 L118 L119 R120 P428 L429 | K108-E116 WeakPolarHBondContact CE-OE1 3.48Å; K108-E116 WeakPolarHBondContact CE-OE2 3.36Å; K108-E116 IonicContact NZ-OE1 2.73Å; K108-E116 PolarHBondContact NZ-OE1 3.08Å; K108-E116 IonicContact NZ-OE2 3.9Å; K108-E116 PolarHBondContact NZ-OE2 3.4Å; Q112-E116 HydrophobicContact CG-CG 4.27Å; Q112-E116 VanDerWaalsContact CG-OE1 3.24Å; Q112-E116 WeakPolarHBondContact CG-OE1 3.32Å; Q112-E116 PolarHBondContact NE2-OE1 2.88Å; Q112-E116 WeakPolarHBondContact O-CB 3.29Å; Q112-E116 WeakPolarHBondContact O-CG 3.47Å; Q112-E116 PolarHBondContact O-N 3.31Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.01Å; E116-L119 PolarHBondContact O-N 2.69Å; E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 PolarHBondContact O-N 3.1Å; E116-P428 HydrophobicContact CB-CB 3.79Å; E116-P428 HydrophobicContact CB-CG 4.26Å; E116-P428 WeakPolarHBondContact OE2-CD 3.09Å; E116-L429 HydrophobicContact CB-CD2 3.84Å; E116-L429 HydrophobicContact CB-CG 3.81Å; E116-L429 HydrophobicContact CG-CD1 4.1Å; E116-L429 HydrophobicContact CG-CD2 3.87Å; E116-L429 HydrophobicContact CG-CG 3.68Å |
| 117 | R | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 20.6 Ų | 20.6 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 171 | -74.6 | 174.8 | -177.4 | 151.6 | 8.4 | 112.3 | L113 Q114 A115 R120 L121 I231 V233 P428 Y432 | L113-R117 VanDerWaalsContact O-CG 3.28Å; L113-R117 WeakPolarHBondContact O-CG 3.25Å; L113-R117 PolarHBondContact O-N 3.45Å; Q114-R117 PolarHBondContact O-N 3.3Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 3.49Å; R117-R120 PolarHBondContact O-N 2.78Å; R117-L121 PolarHBondContact O-N 3.18Å; R117-I231 PolarHBondContact NH1-O 3.04Å; R117-I231 PolarHBondContact NH2-O 3.05Å; R117-V233 WeakPolarHBondContact CD-O 3.49Å; R117-V233 PolarHBondContact NH1-O 3.1Å; R117-P428 HydrophobicContact CG-CB 3.73Å; R117-Y432 HydrophobicContact CB-CD2 4.02Å; R117-Y432 HydrophobicContact CB-CE2 4.06Å; R117-Y432 HydrophobicContact CG-CD2 4.28Å; R117-Y432 HydrophobicContact CG-CE2 4.48Å |
| 118 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 176 | -71.7 | 171.9 | 0 | 0 | 0 | 111.5 | V80 Q114 A115 E116 R120 L121 Q122 I136 W138 L162 V235 A236 | V80-L118 HydrophobicContact CG1-CD2 4.4Å; V80-L118 HydrophobicContact CG2-CD1 4.14Å; V80-L118 HydrophobicContact CG2-CD2 4.13Å; Q114-L118 PolarHBondContact O-N 2.83Å; A115-L118 WeakPolarHBondContact O-CB 3.4Å; A115-L118 PolarHBondContact O-N 2.92Å; A115-L118 VanDerWaalsContact O-N 3.13Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.01Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.85Å; L118-L121 PolarHBondContact O-N 3.48Å; L118-Q122 VanDerWaalsContact O-CG 3.28Å; L118-Q122 WeakPolarHBondContact O-CG 3.36Å; L118-Q122 PolarHBondContact O-N 2.89Å; L118-I136 HydrophobicContact CD2-CB 4.09Å; L118-I136 HydrophobicContact CD2-CD1 4Å; L118-I136 HydrophobicContact CD2-CG2 3.75Å; L118-W138 HydrophobicContact CD1-CB 4.09Å; L118-W138 HydrophobicContact CD1-CD2 3.52Å; L118-W138 HydrophobicContact CD1-CE3 3.44Å; L118-W138 VanDerWaalsContact CD1-CE3 3.44Å; L118-W138 HydrophobicContact CD1-CG 3.89Å; L118-W138 HydrophobicContact CD1-CH2 4.5Å; L118-W138 HydrophobicContact CD1-CZ3 3.99Å; L118-L162 HydrophobicContact CB-CD2 4.34Å; L118-V235 HydrophobicContact CD1-CG1 4.36Å; L118-V235 HydrophobicContact CD2-CG1 3.66Å; L118-V235 HydrophobicContact CG-CG1 3.92Å; L118-A236 HydrophobicContact CD2-CB 4.09Å |
| 119 | L | 98.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 26.5 Ų | 26.5 | 22% | 0.215 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | 175 | -73.3 | 172.7 | 0 | 0 | 0 | 111.3 | A115 E116 Q122 S123 F160 L162 L429 | A115-L119 PolarHBondContact O-N 3.21Å; E116-L119 PolarHBondContact O-N 2.69Å; L119-Q122 PolarHBondContact O-N 2.81Å; L119-S123 PolarHBondContact O-N 2.91Å; L119-F160 VanDerWaalsContact CD1-O 3.29Å; L119-F160 WeakPolarHBondContact CD1-O 3.41Å; L119-L162 HydrophobicContact CD1-CD2 4.49Å; L119-L162 HydrophobicContact CD2-CD2 3.71Å; L119-L162 HydrophobicContact CD2-CG 4.47Å; L119-L162 HydrophobicContact CG-CD2 3.69Å; L119-L162 HydrophobicContact CG-CG 4.38Å; L119-L429 HydrophobicContact CB-CD2 3.86Å; L119-L429 HydrophobicContact CD1-CD2 3.86Å |
| 120 | R | 97.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 11% | 0.109 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 178.8 | -179.3 | 51.8 | 178.1 | 173.3 | -20.5 | 112.4 | E116 R117 L118 Q122 S123 M124 P428 L430 E435 N436 | E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 PolarHBondContact O-N 3.1Å; R117-R120 PolarHBondContact O-N 2.78Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.85Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; R120-Q122 PolarHBondContact O-N 3.12Å; R120-S123 WeakPolarHBondContact O-CB 3.38Å; R120-S123 PolarHBondContact O-N 3.19Å; R120-M124 HydrophobicContact CG-CG 4.4Å; R120-M124 HydrophobicContact CG-SD 3.84Å; R120-M124 VanDerWaalsContact O-CG 3.29Å; R120-M124 WeakPolarHBondContact O-CG 3.48Å; R120-M124 PolarHBondContact O-N 3.11Å; R120-P428 WeakPolarHBondContact CB-O 3.47Å; R120-P428 WeakPolarHBondContact CG-O 3.04Å; R120-L430 PolarHBondContact NE-O 2.88Å; R120-L430 PolarHBondContact NH2-O 3.24Å; R120-E435 IonicContact CZ-OE1 3.6Å; R120-E435 IonicContact NE-OE1 3.76Å; R120-E435 PolarHBondContact NE-OE1 2.95Å; R120-E435 IonicContact NH2-OE1 3.55Å; R120-N436 PolarHBondContact NH2-ND2 3.04Å |
| 121 | L | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 175.7 | -80.2 | 178 | 0 | 0 | 0 | 113 | M70 I73 R117 L118 S123 M124 A125 I136 V235 A236 P238 Y432 | M70-L121 HydrophobicContact SD-CD2 4.33Å; I73-L121 HydrophobicContact CD1-CD1 4.4Å; I73-L121 HydrophobicContact CD1-CD2 4.46Å; R117-L121 PolarHBondContact O-N 3.18Å; L118-L121 PolarHBondContact O-N 3.48Å; L121-S123 VanDerWaalsContact C-N 3.35Å; L121-M124 HydrophobicContact CD2-SD 4.45Å; L121-M124 PolarHBondContact O-N 3.43Å; L121-A125 VanDerWaalsContact O-CB 3.29Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.25Å; L121-I136 HydrophobicContact CB-CD1 3.96Å; L121-I136 HydrophobicContact CD1-CD1 4.32Å; L121-V235 WeakPolarHBondContact CD1-O 3.17Å; L121-A236 HydrophobicContact CD1-CB 3.69Å; L121-P238 HydrophobicContact CD2-CG 3.73Å; L121-Y432 HydrophobicContact CD1-CD2 4.03Å; L121-Y432 HydrophobicContact CD1-CE2 3.4Å; L121-Y432 HydrophobicContact CD2-CD1 3.95Å; L121-Y432 HydrophobicContact CD2-CD2 3.92Å; L121-Y432 HydrophobicContact CD2-CE1 3.98Å; L121-Y432 HydrophobicContact CD2-CE2 3.93Å; L121-Y432 HydrophobicContact CD2-CG 3.92Å; L121-Y432 HydrophobicContact CG-CD1 4.5Å; L121-Y432 HydrophobicContact CG-CD2 3.57Å; L121-Y432 HydrophobicContact CG-CE1 4.47Å; L121-Y432 HydrophobicContact CG-CE2 3.5Å; L121-Y432 VanDerWaalsContact CG-CE2 3.5Å; L121-Y432 HydrophobicContact CG-CG 4.08Å |
| 122 | Q | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 176.6 | -68.6 | 169.9 | 164.1 | 0 | 0 | 111.8 | L118 L119 R120 S126 V133 I136 | L118-Q122 VanDerWaalsContact O-CG 3.28Å; L118-Q122 WeakPolarHBondContact O-CG 3.36Å; L118-Q122 PolarHBondContact O-N 2.89Å; L119-Q122 PolarHBondContact O-N 2.81Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; R120-Q122 PolarHBondContact O-N 3.12Å; Q122-S126 WeakPolarHBondContact O-CB 3.31Å; Q122-S126 PolarHBondContact O-N 2.55Å; Q122-S126 PolarHBondContact O-OG 3.06Å; Q122-V133 HydrophobicContact CB-CG2 4.48Å; Q122-V133 WeakPolarHBondContact O-CG2 3.24Å; Q122-I136 HydrophobicContact CG-CD1 4.13Å; Q122-I136 HydrophobicContact CG-CG1 3.99Å |
| 123 | S | 96.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 34% | 0.343 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -53.5 | 173.4 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | L119 R120 L121 A125 S126 D127 | L119-S123 PolarHBondContact O-N 2.91Å; R120-S123 WeakPolarHBondContact O-CB 3.38Å; R120-S123 PolarHBondContact O-N 3.19Å; L121-S123 VanDerWaalsContact C-N 3.35Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 2.87Å; S123-S126 WeakPolarHBondContact O-CA 3.5Å; S123-S126 WeakPolarHBondContact O-CB 3.32Å; S123-S126 PolarHBondContact O-N 3.04Å; S123-D127 VanDerWaalsContact O-CG 3.22Å; S123-D127 PolarHBondContact O-N 3.06Å |
| 124 | M | 97.1 | Very high | 96.8 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 20% | 0.197 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -39.2 | -179.4 | -67.7 | 166.7 | 66 | 0 | 0 | 112.4 | M70 R120 L121 R128 E435 | M70-M124 HydrophobicContact CE-CB 3.87Å; R120-M124 HydrophobicContact CG-CG 4.4Å; R120-M124 HydrophobicContact CG-SD 3.84Å; R120-M124 VanDerWaalsContact O-CG 3.29Å; R120-M124 WeakPolarHBondContact O-CG 3.48Å; R120-M124 PolarHBondContact O-N 3.11Å; L121-M124 HydrophobicContact CD2-SD 4.45Å; L121-M124 PolarHBondContact O-N 3.43Å; M124-R128 VanDerWaalsContact O-CB 3.27Å; M124-R128 WeakPolarHBondContact O-CB 3.49Å; M124-R128 PolarHBondContact O-N 3.07Å; M124-E435 HydrophobicContact CE-CG 3.85Å; M124-E435 HydrophobicContact SD-CG 4.27Å |
| 125 | A | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M70 I73 A74 L121 S123 S129 V133 | M70-A125 HydrophobicContact CE-CB 3.76Å; I73-A125 HydrophobicContact CB-CB 4.47Å; I73-A125 HydrophobicContact CG2-CB 3.74Å; A74-A125 HydrophobicContact CB-CB 4.38Å; L121-A125 VanDerWaalsContact O-CB 3.29Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 3.25Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 2.87Å; A125-S129 WeakPolarHBondContact O-CB 3.42Å; A125-S129 PolarHBondContact O-N 2.68Å; A125-S129 VanDerWaalsContact O-N 3.08Å; A125-S129 PolarHBondContact O-OG 3.11Å; A125-V133 HydrophobicContact CB-CG1 4.05Å; A125-V133 HydrophobicContact CB-CG2 4.01Å |
| 126 | S | 97.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 49 Ų | 49 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 173.2 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | Q122 S123 R128 S129 G130 Q131 V133 | Q122-S126 WeakPolarHBondContact O-CB 3.31Å; Q122-S126 PolarHBondContact O-N 2.55Å; Q122-S126 PolarHBondContact O-OG 3.06Å; S123-S126 WeakPolarHBondContact O-CA 3.5Å; S123-S126 WeakPolarHBondContact O-CB 3.32Å; S123-S126 PolarHBondContact O-N 3.04Å; S126-R128 VanDerWaalsContact C-N 3.32Å; S126-R128 PolarHBondContact O-N 3.3Å; S126-S129 PolarHBondContact O-N 3.11Å; S126-S129 PolarHBondContact O-OG 3.12Å; S126-G130 PolarHBondContact O-N 3.22Å; S126-Q131 WeakPolarHBondContact CA-O 3.35Å; S126-Q131 WeakPolarHBondContact CB-O 3.47Å; S126-Q131 PolarHBondContact O-N 2.77Å; S126-V133 PolarHBondContact OG-N 3.18Å |
| 127 | D | 95.9 | Very high | 96.7 | Very high | 111 Ų | 111 | 48.9 Ų | 48.9 | 59% | 0.594 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.3 | -45 | 178.6 | -60.5 | -26.5 | 0 | 0 | 0 | 110.8 | S123 S129 G130 | S123-D127 VanDerWaalsContact O-CG 3.22Å; S123-D127 PolarHBondContact O-N 3.06Å; D127-S129 PolarHBondContact O-N 3.42Å; D127-G130 PolarHBondContact O-N 3.07Å |
| 128 | R | 94.3 | Very high | 96.8 | Very high | 121 Ų | 121 | 48.3 Ų | 48.3 | 46% | 0.457 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 179.3 | -174.5 | 173.7 | -174.2 | -114 | -1.5 | 113.6 | S67 M70 D71 M124 S126 | S67-R128 PolarHBondContact O-NH1 3.32Å; S67-R128 PolarHBondContact OG-NH2 3.23Å; M70-R128 VanDerWaalsContact CB-NH1 3.27Å; D71-R128 IonicContact OD1-CZ 3.44Å; D71-R128 IonicContact OD1-NH1 2.86Å; D71-R128 PolarHBondContact OD1-NH1 2.94Å; D71-R128 IonicContact OD1-NH2 3.25Å; M124-R128 VanDerWaalsContact O-CB 3.27Å; M124-R128 WeakPolarHBondContact O-CB 3.49Å; M124-R128 PolarHBondContact O-N 3.07Å; S126-R128 VanDerWaalsContact C-N 3.32Å; S126-R128 PolarHBondContact O-N 3.3Å |
| 129 | S | 93.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -91.2 | -9.2 | -177.6 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | A125 S126 D127 Q131 V133 | A125-S129 WeakPolarHBondContact O-CB 3.42Å; A125-S129 PolarHBondContact O-N 2.68Å; A125-S129 VanDerWaalsContact O-N 3.08Å; A125-S129 PolarHBondContact O-OG 3.11Å; S126-S129 PolarHBondContact O-N 3.11Å; S126-S129 PolarHBondContact O-OG 3.12Å; D127-S129 PolarHBondContact O-N 3.42Å; S129-Q131 PolarHBondContact O-N 3.05Å; S129-Q131 PolarHBondContact OG-O 2.82Å; S129-V133 WeakPolarHBondContact OG-CG1 3.49Å |
| 130 | G | 94.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 46.3 Ų | 46.3 | 76% | 0.763 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 10.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S126 D127 | S126-G130 PolarHBondContact O-N 3.22Å; D127-G130 PolarHBondContact O-N 3.07Å |
| 131 | Q | 94.7 | Very high | 96.8 | Very high | 140 Ų | 140 | 45 Ų | 45 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -146.4 | 155.3 | -178.9 | 63.8 | -174.2 | -36.7 | 0 | 0 | 110.7 | S126 S129 V133 | S126-Q131 WeakPolarHBondContact CA-O 3.35Å; S126-Q131 WeakPolarHBondContact CB-O 3.47Å; S126-Q131 PolarHBondContact O-N 2.77Å; S129-Q131 PolarHBondContact O-N 3.05Å; S129-Q131 PolarHBondContact OG-O 2.82Å; Q131-V133 PolarHBondContact O-N 3.49Å |
| 132 | K | 94.5 | Very high | 96.8 | Very high | 188 Ų | 188 | 45 Ų | 45 | 82% | 0.817 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 120.2 | 175.7 | -174.9 | 174.4 | -176.7 | 174.6 | 0 | 110.2 | ||
| 133 | V | 96.4 | Very high | 96.5 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 162.3 | 177.7 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A74 Q122 A125 S126 S129 Q131 | A74-V133 HydrophobicContact CB-CG1 3.97Å; Q122-V133 HydrophobicContact CB-CG2 4.48Å; Q122-V133 WeakPolarHBondContact O-CG2 3.24Å; A125-V133 HydrophobicContact CB-CG1 4.05Å; A125-V133 HydrophobicContact CB-CG2 4.01Å; S126-V133 PolarHBondContact OG-N 3.18Å; S129-V133 WeakPolarHBondContact OG-CG1 3.49Å; Q131-V133 PolarHBondContact O-N 3.49Å |
| 134 | A | 95.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 146.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 135 | N | 97.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 140.1 | 175 | -64.3 | -27.5 | 0 | 0 | 0 | 110.8 | T137 S163 Q166 | N135-T137 PolarHBondContact O-N 2.69Å; N135-S163 WeakPolarHBondContact ND2-CB 3.38Å; N135-Q166 HydrophobicContact CB-CB 3.72Å; N135-Q166 HydrophobicContact CB-CG 4.4Å |
| 136 | I | 98.6 | Very high | 95.4 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 120.9 | 172.1 | -60.9 | 172 | 0 | 0 | 0 | 107.2 | I73 V80 L118 L121 Q122 W138 Q166 A236 | I73-I136 HydrophobicContact CG2-CD1 3.94Å; I73-I136 HydrophobicContact CG2-CG1 4.11Å; V80-I136 HydrophobicContact CG1-CG2 4.32Å; V80-I136 HydrophobicContact CG2-CG2 4.48Å; L118-I136 HydrophobicContact CD2-CB 4.09Å; L118-I136 HydrophobicContact CD2-CD1 4Å; L118-I136 HydrophobicContact CD2-CG2 3.75Å; L121-I136 HydrophobicContact CB-CD1 3.96Å; L121-I136 HydrophobicContact CD1-CD1 4.32Å; Q122-I136 HydrophobicContact CG-CD1 4.13Å; Q122-I136 HydrophobicContact CG-CG1 3.99Å; I136-W138 PolarHBondContact O-N 3.08Å; I136-Q166 PolarHBondContact O-OE1 3.32Å; I136-A236 HydrophobicContact CD1-CB 4.15Å; I136-A236 HydrophobicContact CG2-CB 4.44Å |
| 137 | T | 98.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 126.3 | 179.7 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | A79 V80 N135 Q166 I168 L215 K218 | A79-T137 CarbonylContact C-O 3.56Å; A79-T137 VanDerWaalsContact CA-O 3.29Å; A79-T137 WeakPolarHBondContact CA-O 3.37Å; A79-T137 WeakPolarHBondContact CB-O 3.42Å; V80-T137 PolarHBondContact N-O 2.55Å; N135-T137 PolarHBondContact O-N 2.69Å; T137-Q166 WeakPolarHBondContact CA-O 3.38Å; T137-I168 HydrophobicContact CG2-CD1 3.62Å; T137-I168 HydrophobicContact CG2-CG1 4.26Å; T137-L215 HydrophobicContact CG2-CD2 3.98Å; T137-K218 HydrophobicContact CG2-CD 4.27Å; T137-K218 WeakPolarHBondContact OG1-CD 3.36Å |
| 138 | W | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 104.9 | 179.1 | -167.2 | 1.9 | 0 | 0 | 0 | 110.6 | V80 L82 Q114 A115 L118 I136 I140 F154 L162 Q166 M167 I168 Y226 | V80-W138 HydrophobicContact CG2-CB 4.03Å; V80-W138 VanDerWaalsContact CG2-CD1 3.48Å; V80-W138 HydrophobicContact CG2-CG 3.8Å; L82-W138 HydrophobicContact CD2-CZ2 3.73Å; Q114-W138 HydrophobicContact CB-CH2 3.8Å; Q114-W138 HydrophobicContact CB-CZ2 3.85Å; A115-W138 HydrophobicContact CB-CH2 4.01Å; A115-W138 HydrophobicContact CB-CZ3 3.6Å; L118-W138 HydrophobicContact CD1-CB 4.09Å; L118-W138 HydrophobicContact CD1-CD2 3.52Å; L118-W138 HydrophobicContact CD1-CE3 3.44Å; L118-W138 VanDerWaalsContact CD1-CE3 3.44Å; L118-W138 HydrophobicContact CD1-CG 3.89Å; L118-W138 HydrophobicContact CD1-CH2 4.5Å; L118-W138 HydrophobicContact CD1-CZ3 3.99Å; I136-W138 PolarHBondContact O-N 3.08Å; W138-I140 HydrophobicContact CD2-CD1 4.25Å; W138-I140 HydrophobicContact CD2-CG1 4.39Å; W138-I140 HydrophobicContact CG-CG1 4.26Å; W138-F154 HydrophobicContact CH2-CE1 4.39Å; W138-F154 HydrophobicContact CH2-CZ 4.22Å; W138-F154 HydrophobicContact CZ3-CE1 4.06Å; W138-F154 HydrophobicContact CZ3-CZ 4.25Å; W138-L162 HydrophobicContact CE3-CD1 3.41Å; W138-L162 VanDerWaalsContact CE3-CD1 3.41Å; W138-L162 HydrophobicContact CZ3-CD1 3.43Å; W138-L162 VanDerWaalsContact CZ3-CD1 3.43Å; W138-Q166 PolarHBondContact N-O 3.34Å; W138-M167 HydrophobicContact CE3-CE 4.03Å; W138-M167 HydrophobicContact CZ3-CE 4.44Å; W138-M167 WeakPolarHBondContact O-CA 3.48Å; W138-I168 PolarHBondContact O-N 2.84Å; W138-Y226 WeakPolarHBondContact CZ2-OH 3.23Å; W138-Y226 PolarHBondContact NE1-OH 2.71Å |
| 139 | C | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127 | 174 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | V80 I81 L82 I168 F170 V211 | V80-C139 PolarHBondContact O-N 2.83Å; I81-C139 CarbonylContact C-O 3.52Å; I81-C139 VanDerWaalsContact CA-O 3.26Å; I81-C139 WeakPolarHBondContact CA-O 3.35Å; I81-C139 HydrophobicContact CG1-CB 3.93Å; L82-C139 PolarHBondContact N-O 2.8Å; C139-I168 CarbonylContact C-O 3.43Å; C139-I168 WeakPolarHBondContact CA-O 3.14Å; C139-I168 HydrophobicContact CB-CB 4.46Å; C139-F170 HydrophobicContact CB-CD1 4.22Å; C139-F170 HydrophobicContact CB-CE1 3.73Å; C139-V211 HydrophobicContact CB-CG1 4.43Å |
| 140 | I | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.6 | 179.7 | -57 | -174.8 | 0 | 0 | 0 | 108.3 | L82 W138 T142 V150 F154 M167 I168 F169 F170 | L82-I140 HydrophobicContact CB-CG1 4.33Å; L82-I140 HydrophobicContact CD2-CD1 4.47Å; L82-I140 HydrophobicContact CD2-CG1 4.44Å; L82-I140 HydrophobicContact CD2-CG2 4.44Å; W138-I140 HydrophobicContact CD2-CD1 4.25Å; W138-I140 HydrophobicContact CD2-CG1 4.39Å; W138-I140 HydrophobicContact CG-CG1 4.26Å; I140-T142 HydrophobicContact CG2-CG2 4.14Å; I140-V150 HydrophobicContact CG2-CG1 4.29Å; I140-F154 HydrophobicContact CD1-CD2 4.34Å; I140-F154 HydrophobicContact CD1-CE1 4.48Å; I140-F154 HydrophobicContact CD1-CE2 3.46Å; I140-F154 VanDerWaalsContact CD1-CE2 3.46Å; I140-F154 HydrophobicContact CD1-CZ 3.54Å; I140-M167 HydrophobicContact CD1-CE 3.36Å; I140-M167 HydrophobicContact CG1-CE 4.36Å; I140-I168 PolarHBondContact N-O 2.9Å; I140-F169 HydrophobicContact CB-CD1 3.98Å; I140-F169 HydrophobicContact CB-CE1 4.22Å; I140-F169 HydrophobicContact CD1-CD1 4.47Å; I140-F169 HydrophobicContact CD1-CE1 3.84Å; I140-F169 HydrophobicContact CD1-CZ 4.44Å; I140-F169 HydrophobicContact CG1-CE1 4.44Å; I140-F169 HydrophobicContact CG2-CD1 4.38Å; I140-F170 WeakPolarHBondContact O-CD1 3.34Å; I140-F170 PolarHBondContact O-N 3.06Å; I140-F170 VanDerWaalsContact O-N 3.08Å |
| 141 | M | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115 | 174.4 | -166.5 | 173.8 | 76.6 | 0 | 0 | 109.5 | L82 L83 S84 G85 F170 Q172 L202 | L82-M141 PolarHBondContact O-N 3.31Å; L83-M141 HydrophobicContact CB-CE 4.46Å; L83-M141 HydrophobicContact CD2-CE 3.58Å; L83-M141 HydrophobicContact CD2-SD 4.28Å; S84-M141 CarbonylContact C-O 3.34Å; S84-M141 VanDerWaalsContact CA-O 3.29Å; S84-M141 WeakPolarHBondContact CA-O 3.43Å; S84-M141 PolarHBondContact N-O 2.89Å; G85-M141 PolarHBondContact N-O 3.44Å; M141-F170 CarbonylContact C-O 3.56Å; M141-F170 WeakPolarHBondContact CA-O 3.15Å; M141-F170 HydrophobicContact CB-CE1 3.85Å; M141-F170 HydrophobicContact CB-CE2 3.81Å; M141-F170 HydrophobicContact CB-CZ 3.44Å; M141-F170 VanDerWaalsContact CB-CZ 3.44Å; M141-F170 HydrophobicContact CG-CD2 4.18Å; M141-F170 HydrophobicContact CG-CE2 3.59Å; M141-F170 HydrophobicContact CG-CZ 3.79Å; M141-F170 HydrophobicContact SD-CE2 3.95Å; M141-F170 HydrophobicContact SD-CZ 4.25Å; M141-Q172 HydrophobicContact CE-CB 4.48Å; M141-Q172 HydrophobicContact CG-CB 4.15Å; M141-Q172 HydrophobicContact SD-CB 4.07Å; M141-L202 HydrophobicContact CE-CB 4.41Å; M141-L202 VanDerWaalsContact SD-CA 3.54Å; M141-L202 HydrophobicContact SD-CB 3.87Å; M141-L202 HydrophobicContact SD-CD1 3.72Å; M141-L202 HydrophobicContact SD-CG 4.44Å |
| 142 | T | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 174.7 | 175.5 | 51 | 0 | 0 | 0 | 0 | 111.2 | I140 E147 V150 F170 T171 Q172 | I140-T142 HydrophobicContact CG2-CG2 4.14Å; T142-E147 WeakPolarHBondContact OG1-CB 3.35Å; T142-V150 HydrophobicContact CG2-CB 4Å; T142-V150 HydrophobicContact CG2-CG1 4.02Å; T142-V150 HydrophobicContact CG2-CG2 4.12Å; T142-F170 PolarHBondContact N-O 2.83Å; T142-F170 PolarHBondContact OG1-O 3.41Å; T142-T171 WeakPolarHBondContact O-CA 3.48Å; T142-T171 PolarHBondContact OG1-OG1 3.23Å; T142-T171 VanDerWaalsContact OG1-OG1 3.1Å; T142-Q172 WeakPolarHBondContact O-CG 3.04Å; T142-Q172 PolarHBondContact O-N 3.42Å |
| 143 | S | 93.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | trans | -112.2 | 169 | 163.9 | 66.7 | 0 | 0 | 0 | 0 | 109.3 | G85 L145 T146 E147 | G85-S143 WeakPolarHBondContact O-CB 3.32Å; G85-S143 PolarHBondContact O-OG 2.88Å; S143-L145 PolarHBondContact O-N 3.18Å; S143-L145 PolarHBondContact OG-N 3.16Å; S143-T146 PolarHBondContact N-OG1 2.93Å; S143-T146 PolarHBondContact O-N 3.17Å; S143-T146 PolarHBondContact OG-OG1 3.32Å; S143-E147 WeakPolarHBondContact O-CB 3.45Å; S143-E147 PolarHBondContact O-N 3.43Å | ||
| 144 | Q | 90.3 | Very high | 95.9 | Very high | 135 Ų | 135 | 36.3 Ų | 36.3 | 63% | 0.631 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -26.4 | 173.5 | -65.2 | -172.4 | 12.4 | 0 | 0 | 112.7 | T171 L174 | Q144-T171 HydrophobicContact CG-CG2 4.1Å; Q144-L174 HydrophobicContact CB-CD1 4.29Å; Q144-L174 HydrophobicContact CG-CD1 4Å; Q144-L174 HydrophobicContact CG-CG 4.4Å |
| 145 | L | 86.2 | Confident | 96.1 | Very high | 104 Ų | 104 | 40.5 Ų | 40.5 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -23.7 | 177.9 | -59.1 | 175.2 | 0 | 0 | 0 | 113.5 | S143 | S143-L145 PolarHBondContact O-N 3.18Å; S143-L145 PolarHBondContact OG-N 3.16Å |
| 146 | T | 91.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -16.8 | -173 | 62.9 | 0 | 0 | 0 | 0 | 114 | S84 Q87 P96 S143 H148 S149 V150 | S84-T146 PolarHBondContact O-OG1 3.46Å; Q87-T146 HydrophobicContact CG-CG2 3.97Å; P96-T146 HydrophobicContact CB-CG2 4.28Å; P96-T146 HydrophobicContact CG-CG2 4.06Å; S143-T146 PolarHBondContact N-OG1 2.93Å; S143-T146 PolarHBondContact O-N 3.17Å; S143-T146 PolarHBondContact OG-OG1 3.32Å; T146-H148 PolarHBondContact O-N 3.14Å; T146-S149 PolarHBondContact O-N 3.11Å; T146-S149 PolarHBondContact O-OG 2.77Å; T146-S149 VanDerWaalsContact O-OG 3.08Å; T146-V150 VanDerWaalsContact O-CB 3.32Å; T146-V150 WeakPolarHBondContact O-CB 3.36Å; T146-V150 WeakPolarHBondContact O-CG2 3.36Å; T146-V150 PolarHBondContact O-N 2.82Å |
| 147 | E | 94.5 | Very high | 96 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57 | -52.8 | -172.3 | -177.7 | -177.5 | 165.9 | 0 | 0 | 113 | T142 S143 V150 K151 T171 | T142-E147 WeakPolarHBondContact OG1-CB 3.35Å; S143-E147 WeakPolarHBondContact O-CB 3.45Å; S143-E147 PolarHBondContact O-N 3.43Å; E147-V150 PolarHBondContact O-N 2.82Å; E147-K151 HydrophobicContact CG-CD 4.06Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 WeakPolarHBondContact O-CG 3.21Å; E147-K151 PolarHBondContact O-N 3.37Å; E147-K151 WeakPolarHBondContact OE1-CE 3.26Å; E147-K151 IonicContact OE1-NZ 2.69Å; E147-K151 PolarHBondContact OE1-NZ 2.87Å; E147-T171 PolarHBondContact OE2-OG1 3.28Å |
| 148 | H | 95.4 | Very high | 96 | Very high | 157 Ų | 157 | 52.7 Ų | 52.7 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -63 | -48.4 | -176.3 | 179.1 | -87.9 | 0 | 0 | 0 | 111.6 | T146 K151 A152 | T146-H148 PolarHBondContact O-N 3.14Å; H148-K151 PolarHBondContact O-N 2.98Å; H148-A152 WeakPolarHBondContact O-CB 3.47Å; H148-A152 PolarHBondContact O-N 3.5Å |
| 149 | S | 95.5 | Very high | 95.9 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | P96 F99 T146 K151 A152 F153 | P96-S149 WeakPolarHBondContact CG-OG 3.49Å; F99-S149 WeakPolarHBondContact CZ-O 3.28Å; T146-S149 PolarHBondContact O-N 3.11Å; T146-S149 PolarHBondContact O-OG 2.77Å; T146-S149 VanDerWaalsContact O-OG 3.08Å; S149-K151 PolarHBondContact O-N 3.2Å; S149-A152 PolarHBondContact O-N 3.34Å; S149-F153 WeakPolarHBondContact O-CB 3.5Å; S149-F153 PolarHBondContact O-N 3.39Å |
| 150 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | P96 F99 F111 I140 T142 T146 E147 A152 F153 F154 F169 | P96-V150 HydrophobicContact CB-CG2 3.65Å; P96-V150 HydrophobicContact CG-CG2 3.63Å; F99-V150 HydrophobicContact CE1-CG2 4.26Å; F111-V150 HydrophobicContact CE2-CG1 4.31Å; F111-V150 HydrophobicContact CE2-CG2 4.18Å; F111-V150 HydrophobicContact CZ-CG1 4.1Å; F111-V150 HydrophobicContact CZ-CG2 4.08Å; I140-V150 HydrophobicContact CG2-CG1 4.29Å; T142-V150 HydrophobicContact CG2-CB 4Å; T142-V150 HydrophobicContact CG2-CG1 4.02Å; T142-V150 HydrophobicContact CG2-CG2 4.12Å; T146-V150 VanDerWaalsContact O-CB 3.32Å; T146-V150 WeakPolarHBondContact O-CB 3.36Å; T146-V150 WeakPolarHBondContact O-CG2 3.36Å; T146-V150 PolarHBondContact O-N 2.82Å; E147-V150 PolarHBondContact O-N 2.82Å; V150-A152 PolarHBondContact O-N 2.87Å; V150-F153 PolarHBondContact O-N 3.45Å; V150-F154 HydrophobicContact CG1-CD2 3.97Å; V150-F154 HydrophobicContact CG1-CE2 3.94Å; V150-F154 WeakPolarHBondContact O-CD2 3.42Å; V150-F154 PolarHBondContact O-N 3.36Å; V150-F154 VanDerWaalsContact O-N 3.11Å; V150-F169 HydrophobicContact CG1-CD1 4.2Å; V150-F169 HydrophobicContact CG1-CE1 3.82Å |
| 151 | K | 97.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 34% | 0.339 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.3 | -75.6 | 176.8 | 174.5 | 176.2 | 0 | 112 | E147 H148 S149 F153 K155 F169 | E147-K151 HydrophobicContact CG-CD 4.06Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 WeakPolarHBondContact O-CG 3.21Å; E147-K151 PolarHBondContact O-N 3.37Å; E147-K151 WeakPolarHBondContact OE1-CE 3.26Å; E147-K151 IonicContact OE1-NZ 2.69Å; E147-K151 PolarHBondContact OE1-NZ 2.87Å; H148-K151 PolarHBondContact O-N 2.98Å; S149-K151 PolarHBondContact O-N 3.2Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.27Å; K151-K155 PolarHBondContact O-N 3.06Å; K151-K155 VanDerWaalsContact O-N 3.1Å; K151-F169 HydrophobicContact CD-CB 4.42Å; K151-F169 HydrophobicContact CD-CG 4.45Å; K151-F169 HydrophobicContact CG-CB 4.25Å; K151-F169 HydrophobicContact CG-CD1 3.95Å; K151-F169 HydrophobicContact CG-CD2 4.05Å; K151-F169 HydrophobicContact CG-CE1 4.32Å; K151-F169 HydrophobicContact CG-CE2 4.41Å; K151-F169 HydrophobicContact CG-CG 3.81Å |
| 152 | A | 97.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H148 S149 V150 K155 T156 | H148-A152 WeakPolarHBondContact O-CB 3.47Å; H148-A152 PolarHBondContact O-N 3.5Å; S149-A152 PolarHBondContact O-N 3.34Å; V150-A152 PolarHBondContact O-N 2.87Å; A152-K155 PolarHBondContact O-N 3.18Å; A152-T156 WeakPolarHBondContact O-CB 3.23Å; A152-T156 PolarHBondContact O-N 3.38Å; A152-T156 PolarHBondContact O-OG1 2.96Å |
| 153 | F | 97.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | -180 | -173.8 | -102.5 | 0 | 0 | 0 | 112.4 | F99 F111 S149 V150 K151 K155 T156 H157 F160 | F99-F153 HydrophobicContact CB-CE2 4.43Å; F99-F153 HydrophobicContact CB-CZ 4.44Å; F99-F153 HydrophobicContact CD1-CB 4.13Å; F99-F153 AromaticContact CD1-CD1 3.62Å; F99-F153 HydrophobicContact CD1-CD1 3.62Å; F99-F153 AromaticContact CD1-CD2 3.87Å; F99-F153 HydrophobicContact CD1-CD2 3.87Å; F99-F153 AromaticContact CD1-CE1 3.87Å; F99-F153 HydrophobicContact CD1-CE1 3.87Å; F99-F153 HydrophobicContact CD1-CE2 4.14Å; F99-F153 AromaticContact CD1-CG 3.61Å; F99-F153 HydrophobicContact CD1-CG 3.61Å; F99-F153 HydrophobicContact CD1-CZ 4.14Å; F99-F153 HydrophobicContact CD2-CD2 4.01Å; F99-F153 HydrophobicContact CD2-CE2 4.3Å; F99-F153 HydrophobicContact CD2-CG 4.45Å; F99-F153 HydrophobicContact CE1-CB 3.3Å; F99-F153 AromaticContact CE1-CD1 3.59Å; F99-F153 HydrophobicContact CE1-CD1 3.59Å; F99-F153 AromaticContact CE1-CD2 3.86Å; F99-F153 HydrophobicContact CE1-CD2 3.86Å; F99-F153 HydrophobicContact CE1-CE1 4.31Å; F99-F153 AromaticContact CE1-CG 3.31Å; F99-F153 HydrophobicContact CE1-CG 3.31Å; F99-F153 HydrophobicContact CE2-CB 4.11Å; F99-F153 AromaticContact CE2-CD2 3.95Å; F99-F153 HydrophobicContact CE2-CD2 3.95Å; F99-F153 HydrophobicContact CE2-CG 4.17Å; F99-F153 HydrophobicContact CG-CD1 4.46Å; F99-F153 AromaticContact CG-CD2 4Å; F99-F153 HydrophobicContact CG-CD2 4Å; F99-F153 HydrophobicContact CG-CE1 4.47Å; F99-F153 HydrophobicContact CG-CE2 4.04Å; F99-F153 HydrophobicContact CG-CG 4.22Å; F99-F153 HydrophobicContact CG-CZ 4.29Å; F99-F153 HydrophobicContact CZ-CB 3.31Å; F99-F153 HydrophobicContact CZ-CD1 4.38Å; F99-F153 AromaticContact CZ-CD2 3.91Å; F99-F153 HydrophobicContact CZ-CD2 3.91Å; F99-F153 AromaticContact CZ-CG 3.64Å; F99-F153 HydrophobicContact CZ-CG 3.64Å; F111-F153 HydrophobicContact CB-CE1 4.36Å; F111-F153 AromaticContact CD2-CD1 3.88Å; F111-F153 HydrophobicContact CD2-CD1 3.88Å; F111-F153 AromaticContact CD2-CE1 3.92Å; F111-F153 HydrophobicContact CD2-CE1 3.92Å; S149-F153 WeakPolarHBondContact O-CB 3.5Å; S149-F153 PolarHBondContact O-N 3.39Å; V150-F153 PolarHBondContact O-N 3.45Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.27Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.09Å; F153-T156 PolarHBondContact O-N 2.68Å; F153-H157 AromaticContact CD2-CE1 3.5Å; F153-H157 AromaticContact CD2-ND1 3.82Å; F153-H157 AromaticContact CE2-CE1 3.25Å; F153-H157 WeakPolarHBondContact CE2-CE1 3.5Å; F153-H157 AromaticContact CE2-ND1 3.85Å; F153-H157 AromaticContact CE2-NE2 3.98Å; F153-H157 AromaticContact CZ-CE1 3.74Å; F153-H157 PolarHBondContact O-N 3.23Å; F153-H157 PolarHBondContact O-ND1 3.34Å; F153-F160 HydrophobicContact CD1-CE2 4.21Å; F153-F160 AromaticContact CD1-CZ 3.97Å; F153-F160 HydrophobicContact CD1-CZ 3.97Å; F153-F160 AromaticContact CE1-CE2 3.97Å; F153-F160 HydrophobicContact CE1-CE2 3.97Å; F153-F160 AromaticContact CE1-CZ 3.44Å; F153-F160 HydrophobicContact CE1-CZ 3.44Å; F153-F160 VanDerWaalsContact CE1-CZ 3.44Å; F153-F160 HydrophobicContact CZ-CZ 4.09Å |
| 154 | F | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 174.5 | -84 | -79.3 | 0 | 0 | 0 | 111.8 | F111 W138 I140 V150 H157 D158 Y159 F160 M167 F169 | F111-F154 HydrophobicContact CB-CE1 4.38Å; F111-F154 HydrophobicContact CB-CE2 4.43Å; F111-F154 HydrophobicContact CB-CZ 3.84Å; F111-F154 HydrophobicContact CD1-CE2 4.04Å; F111-F154 AromaticContact CD1-CZ 3.83Å; F111-F154 HydrophobicContact CD1-CZ 3.83Å; F111-F154 HydrophobicContact CD2-CE2 4.06Å; F111-F154 HydrophobicContact CD2-CZ 4.3Å; F111-F154 HydrophobicContact CE1-CE2 4.25Å; F111-F154 HydrophobicContact CE1-CZ 4.44Å; F111-F154 HydrophobicContact CE2-CE2 4.27Å; F111-F154 AromaticContact CG-CE2 3.95Å; F111-F154 HydrophobicContact CG-CE2 3.95Å; F111-F154 AromaticContact CG-CZ 3.76Å; F111-F154 HydrophobicContact CG-CZ 3.76Å; F111-F154 HydrophobicContact CZ-CE2 4.36Å; W138-F154 HydrophobicContact CH2-CE1 4.39Å; W138-F154 HydrophobicContact CH2-CZ 4.22Å; W138-F154 HydrophobicContact CZ3-CE1 4.06Å; W138-F154 HydrophobicContact CZ3-CZ 4.25Å; I140-F154 HydrophobicContact CD1-CD2 4.34Å; I140-F154 HydrophobicContact CD1-CE1 4.48Å; I140-F154 HydrophobicContact CD1-CE2 3.46Å; I140-F154 VanDerWaalsContact CD1-CE2 3.46Å; I140-F154 HydrophobicContact CD1-CZ 3.54Å; V150-F154 HydrophobicContact CG1-CD2 3.97Å; V150-F154 HydrophobicContact CG1-CE2 3.94Å; V150-F154 WeakPolarHBondContact O-CD2 3.42Å; V150-F154 PolarHBondContact O-N 3.36Å; V150-F154 VanDerWaalsContact O-N 3.11Å; F154-H157 CarbonylContact O-C 3.6Å; F154-H157 PolarHBondContact O-N 2.85Å; F154-D158 PolarHBondContact O-N 3.19Å; F154-Y159 HydrophobicContact CB-CD1 3.86Å; F154-Y159 HydrophobicContact CB-CE1 4.18Å; F154-Y159 WeakPolarHBondContact O-CA 3.3Å; F154-Y159 PolarHBondContact O-N 3.33Å; F154-F160 AromaticContact CD1-CD2 3.69Å; F154-F160 HydrophobicContact CD1-CD2 3.69Å; F154-F160 AromaticContact CD1-CE2 3.71Å; F154-F160 HydrophobicContact CD1-CE2 3.71Å; F154-F160 AromaticContact CE1-CD2 3.64Å; F154-F160 HydrophobicContact CE1-CD2 3.64Å; F154-F160 AromaticContact CE1-CE2 3.74Å; F154-F160 HydrophobicContact CE1-CE2 3.74Å; F154-F160 HydrophobicContact CG-CE2 4.44Å; F154-F160 HydrophobicContact CZ-CE2 4.47Å; F154-M167 HydrophobicContact CD1-CE 3.51Å; F154-M167 HydrophobicContact CD1-SD 3.87Å; F154-M167 HydrophobicContact CD2-CE 4.04Å; F154-M167 HydrophobicContact CE1-CE 3.39Å; F154-M167 HydrophobicContact CE1-SD 4.16Å; F154-M167 HydrophobicContact CE2-CE 3.96Å; F154-M167 HydrophobicContact CG-CE 3.84Å; F154-M167 HydrophobicContact CG-SD 4.37Å; F154-M167 HydrophobicContact CZ-CE 3.63Å; F154-F169 HydrophobicContact CB-CZ 4.21Å; F154-F169 AromaticContact CD2-CE1 3.79Å; F154-F169 HydrophobicContact CD2-CE1 3.79Å; F154-F169 AromaticContact CD2-CZ 3.82Å; F154-F169 HydrophobicContact CD2-CZ 3.82Å; F154-F169 HydrophobicContact CE2-CE1 4.18Å; F154-F169 HydrophobicContact CE2-CZ 4.48Å; F154-F169 HydrophobicContact CG-CZ 4.11Å |
| 155 | K | 97.8 | Very high | 96.3 | Very high | 145 Ų | 145 | 62.4 Ų | 62.4 | 63% | 0.63 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.4 | -43.9 | 178.6 | -173.2 | 178.3 | 178.9 | -177.8 | 0 | 112.6 | K151 A152 F153 H157 D158 | K151-K155 PolarHBondContact O-N 3.06Å; K151-K155 VanDerWaalsContact O-N 3.1Å; A152-K155 PolarHBondContact O-N 3.18Å; F153-K155 VanDerWaalsContact C-N 3.33Å; F153-K155 PolarHBondContact O-N 3.09Å; K155-H157 PolarHBondContact O-N 3.17Å; K155-D158 PolarHBondContact O-N 2.97Å |
| 156 | T | 97.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.4 | -24.1 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | A152 F153 | A152-T156 WeakPolarHBondContact O-CB 3.23Å; A152-T156 PolarHBondContact O-N 3.38Å; A152-T156 PolarHBondContact O-OG1 2.96Å; F153-T156 PolarHBondContact O-N 2.68Å |
| 157 | H | 97.6 | Very high | 97.2 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 38% | 0.384 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 24 | 178.1 | -60.6 | 83.2 | 0 | 0 | 0 | 112.5 | F153 F154 K155 Y159 F160 | F153-H157 AromaticContact CD2-CE1 3.5Å; F153-H157 AromaticContact CD2-ND1 3.82Å; F153-H157 AromaticContact CE2-CE1 3.25Å; F153-H157 WeakPolarHBondContact CE2-CE1 3.5Å; F153-H157 AromaticContact CE2-ND1 3.85Å; F153-H157 AromaticContact CE2-NE2 3.98Å; F153-H157 AromaticContact CZ-CE1 3.74Å; F153-H157 PolarHBondContact O-N 3.23Å; F153-H157 PolarHBondContact O-ND1 3.34Å; F154-H157 CarbonylContact O-C 3.6Å; F154-H157 PolarHBondContact O-N 2.85Å; K155-H157 PolarHBondContact O-N 3.17Å; H157-Y159 PolarHBondContact O-N 2.84Å; H157-F160 HydrophobicContact CB-CD1 3.83Å; H157-F160 HydrophobicContact CB-CE1 3.3Å; H157-F160 HydrophobicContact CB-CE2 4.29Å; H157-F160 HydrophobicContact CB-CG 4.49Å; H157-F160 HydrophobicContact CB-CZ 3.55Å; H157-F160 AromaticContact CD2-CE1 3.83Å; H157-F160 AromaticContact CG-CE1 3.58Å; H157-F160 AromaticContact CG-CZ 3.71Å; H157-F160 PolarHBondContact O-N 3.49Å |
| 158 | D | 97.6 | Very high | 97.4 | Very high | 132 Ų | 132 | 57 Ų | 57 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | 48.1 | 41.1 | 179.9 | -63.9 | -45.7 | 0 | 0 | 0 | 113.3 | F154 K155 F160 G161 | F154-D158 PolarHBondContact O-N 3.19Å; K155-D158 PolarHBondContact O-N 2.97Å; D158-F160 PolarHBondContact O-N 2.79Å; D158-G161 PolarHBondContact O-N 2.82Å; D158-G161 VanDerWaalsContact O-N 3.11Å |
| 159 | Y | 97.9 | Very high | 97.5 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 55 | 23.9 | -179.2 | -56.9 | -92.5 | 0 | 0 | 0 | 113.8 | F154 H157 G161 L162 P164 M167 | F154-Y159 HydrophobicContact CB-CD1 3.86Å; F154-Y159 HydrophobicContact CB-CE1 4.18Å; F154-Y159 WeakPolarHBondContact O-CA 3.3Å; F154-Y159 PolarHBondContact O-N 3.33Å; H157-Y159 PolarHBondContact O-N 2.84Å; Y159-G161 PolarHBondContact O-N 3.43Å; Y159-L162 WeakPolarHBondContact CB-O 3.23Å; Y159-L162 VanDerWaalsContact O-CB 3.28Å; Y159-L162 WeakPolarHBondContact O-CB 3.31Å; Y159-L162 WeakPolarHBondContact O-CG 3.39Å; Y159-L162 PolarHBondContact O-N 2.94Å; Y159-P164 HydrophobicContact CD2-CB 4.28Å; Y159-P164 HydrophobicContact CD2-CG 3.67Å; Y159-P164 HydrophobicContact CE1-CB 4.27Å; Y159-P164 HydrophobicContact CE2-CB 4Å; Y159-P164 HydrophobicContact CE2-CG 3.63Å; Y159-P164 HydrophobicContact CG-CG 4.23Å; Y159-M167 HydrophobicContact CD1-SD 3.59Å; Y159-M167 VanDerWaalsContact CD1-SD 3.59Å; Y159-M167 HydrophobicContact CE1-SD 4.45Å; Y159-M167 HydrophobicContact CG-SD 4.39Å |
| 160 | F | 97.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | 52.6 | 35.4 | -175.1 | -53 | -71.3 | 0 | 0 | 0 | 112.7 | F111 Q112 A115 L119 F153 F154 H157 D158 L162 | F111-F160 HydrophobicContact CB-CE2 4.13Å; Q112-F160 HydrophobicContact CB-CD1 3.7Å; Q112-F160 HydrophobicContact CB-CE1 3.77Å; Q112-F160 HydrophobicContact CB-CG 4.13Å; Q112-F160 HydrophobicContact CB-CZ 4.27Å; Q112-F160 HydrophobicContact CG-CB 4.5Å; Q112-F160 HydrophobicContact CG-CD1 3.62Å; Q112-F160 HydrophobicContact CG-CE1 4.09Å; Q112-F160 HydrophobicContact CG-CG 4.16Å; A115-F160 HydrophobicContact CB-CB 3.73Å; A115-F160 HydrophobicContact CB-CD2 4.22Å; A115-F160 HydrophobicContact CB-CG 4.3Å; L119-F160 VanDerWaalsContact CD1-O 3.29Å; L119-F160 WeakPolarHBondContact CD1-O 3.41Å; F153-F160 HydrophobicContact CD1-CE2 4.21Å; F153-F160 AromaticContact CD1-CZ 3.97Å; F153-F160 HydrophobicContact CD1-CZ 3.97Å; F153-F160 AromaticContact CE1-CE2 3.97Å; F153-F160 HydrophobicContact CE1-CE2 3.97Å; F153-F160 AromaticContact CE1-CZ 3.44Å; F153-F160 HydrophobicContact CE1-CZ 3.44Å; F153-F160 VanDerWaalsContact CE1-CZ 3.44Å; F153-F160 HydrophobicContact CZ-CZ 4.09Å; F154-F160 AromaticContact CD1-CD2 3.69Å; F154-F160 HydrophobicContact CD1-CD2 3.69Å; F154-F160 AromaticContact CD1-CE2 3.71Å; F154-F160 HydrophobicContact CD1-CE2 3.71Å; F154-F160 AromaticContact CE1-CD2 3.64Å; F154-F160 HydrophobicContact CE1-CD2 3.64Å; F154-F160 AromaticContact CE1-CE2 3.74Å; F154-F160 HydrophobicContact CE1-CE2 3.74Å; F154-F160 HydrophobicContact CG-CE2 4.44Å; F154-F160 HydrophobicContact CZ-CE2 4.47Å; H157-F160 HydrophobicContact CB-CD1 3.83Å; H157-F160 HydrophobicContact CB-CE1 3.3Å; H157-F160 HydrophobicContact CB-CE2 4.29Å; H157-F160 HydrophobicContact CB-CG 4.49Å; H157-F160 HydrophobicContact CB-CZ 3.55Å; H157-F160 AromaticContact CD2-CE1 3.83Å; H157-F160 AromaticContact CG-CE1 3.58Å; H157-F160 AromaticContact CG-CZ 3.71Å; H157-F160 PolarHBondContact O-N 3.49Å; D158-F160 PolarHBondContact O-N 2.79Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.63Å |
| 161 | G | 96.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | 83.7 | -3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | D158 Y159 | D158-G161 PolarHBondContact O-N 2.82Å; D158-G161 VanDerWaalsContact O-N 3.11Å; Y159-G161 PolarHBondContact O-N 3.43Å |
| 162 | L | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | trans | -73.7 | 141.2 | 173 | -62.7 | 169.1 | 0 | 0 | 0 | 110.8 | A115 L118 L119 W138 Y159 F160 P164 Q166 M167 | A115-L162 HydrophobicContact CB-CD1 3.69Å; A115-L162 HydrophobicContact CB-CG 4.24Å; L118-L162 HydrophobicContact CB-CD2 4.34Å; L119-L162 HydrophobicContact CD1-CD2 4.49Å; L119-L162 HydrophobicContact CD2-CD2 3.71Å; L119-L162 HydrophobicContact CD2-CG 4.47Å; L119-L162 HydrophobicContact CG-CD2 3.69Å; L119-L162 HydrophobicContact CG-CG 4.38Å; W138-L162 HydrophobicContact CE3-CD1 3.41Å; W138-L162 VanDerWaalsContact CE3-CD1 3.41Å; W138-L162 HydrophobicContact CZ3-CD1 3.43Å; W138-L162 VanDerWaalsContact CZ3-CD1 3.43Å; Y159-L162 WeakPolarHBondContact CB-O 3.23Å; Y159-L162 VanDerWaalsContact O-CB 3.28Å; Y159-L162 WeakPolarHBondContact O-CB 3.31Å; Y159-L162 WeakPolarHBondContact O-CG 3.39Å; Y159-L162 PolarHBondContact O-N 2.94Å; F160-L162 VanDerWaalsContact C-N 3.31Å; F160-L162 PolarHBondContact O-N 2.63Å; L162-P164 WeakPolarHBondContact O-CD 3.47Å; L162-Q166 HydrophobicContact CB-CG 4.41Å; L162-M167 HydrophobicContact CD1-SD 4.2Å | ||
| 163 | S | 97.7 | Very high | 97.3 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 30% | 0.301 | 26% | 0.264 | S | S | . | . | trans | -56.4 | 125.4 | 164.3 | -179 | 0 | 0 | 0 | 0 | 111 | N135 S165 Q166 | N135-S163 WeakPolarHBondContact ND2-CB 3.38Å; S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.09Å; S163-S165 PolarHBondContact OG-OG 3.37Å; S163-Q166 VanDerWaalsContact O-CG 3.23Å; S163-Q166 WeakPolarHBondContact O-CG 3.2Å; S163-Q166 PolarHBondContact O-N 2.74Å; S163-Q166 PolarHBondContact O-NE2 2.87Å | ||
| 164 | P | 97.7 | Very high | 97.1 | Very high | 71 Ų | 71 | 47 Ų | 47 | 46% | 0.461 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -55 | -32.5 | 178 | -25.7 | 32.7 | 0 | 0 | 0 | 113.3 | Y159 L162 Q166 M167 | Y159-P164 HydrophobicContact CD2-CB 4.28Å; Y159-P164 HydrophobicContact CD2-CG 3.67Å; Y159-P164 HydrophobicContact CE1-CB 4.27Å; Y159-P164 HydrophobicContact CE2-CB 4Å; Y159-P164 HydrophobicContact CE2-CG 3.63Å; Y159-P164 HydrophobicContact CG-CG 4.23Å; L162-P164 WeakPolarHBondContact O-CD 3.47Å; P164-Q166 PolarHBondContact O-N 2.94Å; P164-M167 PolarHBondContact O-N 3.25Å; P164-M167 VanDerWaalsContact O-N 3.14Å |
| 165 | S | 96.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 59% | 0.594 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -69.5 | -11.6 | 179.6 | 64.3 | 0 | 0 | 0 | 0 | 115.1 | S163 | S163-S165 PolarHBondContact O-N 3.1Å; S163-S165 VanDerWaalsContact O-N 3.09Å; S163-S165 PolarHBondContact OG-OG 3.37Å |
| 166 | Q | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -89 | -11.5 | 174.1 | 90.8 | -167.3 | -97 | 0 | 0 | 112.4 | N135 I136 T137 W138 L162 S163 P164 | N135-Q166 HydrophobicContact CB-CB 3.72Å; N135-Q166 HydrophobicContact CB-CG 4.4Å; I136-Q166 PolarHBondContact O-OE1 3.32Å; T137-Q166 WeakPolarHBondContact CA-O 3.38Å; W138-Q166 PolarHBondContact N-O 3.34Å; L162-Q166 HydrophobicContact CB-CG 4.41Å; S163-Q166 VanDerWaalsContact O-CG 3.23Å; S163-Q166 WeakPolarHBondContact O-CG 3.2Å; S163-Q166 PolarHBondContact O-N 2.74Å; S163-Q166 PolarHBondContact O-NE2 2.87Å; P164-Q166 PolarHBondContact O-N 2.94Å |
| 167 | M | 98.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131 | -177 | -63.2 | -166 | 73.4 | 0 | 0 | 111.4 | W138 I140 F154 Y159 L162 P164 F169 | W138-M167 HydrophobicContact CE3-CE 4.03Å; W138-M167 HydrophobicContact CZ3-CE 4.44Å; W138-M167 WeakPolarHBondContact O-CA 3.48Å; I140-M167 HydrophobicContact CD1-CE 3.36Å; I140-M167 HydrophobicContact CG1-CE 4.36Å; F154-M167 HydrophobicContact CD1-CE 3.51Å; F154-M167 HydrophobicContact CD1-SD 3.87Å; F154-M167 HydrophobicContact CD2-CE 4.04Å; F154-M167 HydrophobicContact CE1-CE 3.39Å; F154-M167 HydrophobicContact CE1-SD 4.16Å; F154-M167 HydrophobicContact CE2-CE 3.96Å; F154-M167 HydrophobicContact CG-CE 3.84Å; F154-M167 HydrophobicContact CG-SD 4.37Å; F154-M167 HydrophobicContact CZ-CE 3.63Å; Y159-M167 HydrophobicContact CD1-SD 3.59Å; Y159-M167 VanDerWaalsContact CD1-SD 3.59Å; Y159-M167 HydrophobicContact CE1-SD 4.45Å; Y159-M167 HydrophobicContact CG-SD 4.39Å; L162-M167 HydrophobicContact CD1-SD 4.2Å; P164-M167 PolarHBondContact O-N 3.25Å; P164-M167 VanDerWaalsContact O-N 3.14Å; M167-F169 HydrophobicContact CB-CE2 4.09Å; M167-F169 HydrophobicContact CB-CZ 4.48Å; M167-F169 HydrophobicContact CE-CE1 4.19Å; M167-F169 HydrophobicContact CE-CE2 4.36Å; M167-F169 HydrophobicContact CE-CZ 3.63Å; M167-F169 HydrophobicContact SD-CZ 4.38Å |
| 168 | I | 98.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 37 Ų | 37 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 112.1 | 177.6 | -58.8 | 173.2 | 0 | 0 | 0 | 107.9 | T137 W138 C139 I140 V211 V214 | T137-I168 HydrophobicContact CG2-CD1 3.62Å; T137-I168 HydrophobicContact CG2-CG1 4.26Å; W138-I168 PolarHBondContact O-N 2.84Å; C139-I168 CarbonylContact C-O 3.43Å; C139-I168 WeakPolarHBondContact CA-O 3.14Å; C139-I168 HydrophobicContact CB-CB 4.46Å; I140-I168 PolarHBondContact N-O 2.9Å; I168-V211 HydrophobicContact CG2-CG2 4.23Å; I168-V214 HydrophobicContact CD1-CB 4.29Å; I168-V214 HydrophobicContact CD1-CG1 3.51Å |
| 169 | F | 98.1 | Very high | 96 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 18% | 0.18 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.4 | 173.7 | -60.1 | -87.3 | 0 | 0 | 0 | 109.1 | I140 V150 K151 F154 M167 | I140-F169 HydrophobicContact CB-CD1 3.98Å; I140-F169 HydrophobicContact CB-CE1 4.22Å; I140-F169 HydrophobicContact CD1-CD1 4.47Å; I140-F169 HydrophobicContact CD1-CE1 3.84Å; I140-F169 HydrophobicContact CD1-CZ 4.44Å; I140-F169 HydrophobicContact CG1-CE1 4.44Å; I140-F169 HydrophobicContact CG2-CD1 4.38Å; V150-F169 HydrophobicContact CG1-CD1 4.2Å; V150-F169 HydrophobicContact CG1-CE1 3.82Å; K151-F169 HydrophobicContact CD-CB 4.42Å; K151-F169 HydrophobicContact CD-CG 4.45Å; K151-F169 HydrophobicContact CG-CB 4.25Å; K151-F169 HydrophobicContact CG-CD1 3.95Å; K151-F169 HydrophobicContact CG-CD2 4.05Å; K151-F169 HydrophobicContact CG-CE1 4.32Å; K151-F169 HydrophobicContact CG-CE2 4.41Å; K151-F169 HydrophobicContact CG-CG 3.81Å; F154-F169 HydrophobicContact CB-CZ 4.21Å; F154-F169 AromaticContact CD2-CE1 3.79Å; F154-F169 HydrophobicContact CD2-CE1 3.79Å; F154-F169 AromaticContact CD2-CZ 3.82Å; F154-F169 HydrophobicContact CD2-CZ 3.82Å; F154-F169 HydrophobicContact CE2-CE1 4.18Å; F154-F169 HydrophobicContact CE2-CZ 4.48Å; F154-F169 HydrophobicContact CG-CZ 4.11Å; M167-F169 HydrophobicContact CB-CE2 4.09Å; M167-F169 HydrophobicContact CB-CZ 4.48Å; M167-F169 HydrophobicContact CE-CE1 4.19Å; M167-F169 HydrophobicContact CE-CE2 4.36Å; M167-F169 HydrophobicContact CE-CZ 3.63Å; M167-F169 HydrophobicContact SD-CZ 4.38Å |
| 170 | F | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152 | 178 | 70.7 | -77.5 | 0 | 0 | 0 | 109.8 | I81 C139 I140 M141 T142 L202 A205 L206 E209 V211 | I81-F170 HydrophobicContact CG2-CE1 4.22Å; I81-F170 HydrophobicContact CG2-CZ 3.94Å; C139-F170 HydrophobicContact CB-CD1 4.22Å; C139-F170 HydrophobicContact CB-CE1 3.73Å; I140-F170 WeakPolarHBondContact O-CD1 3.34Å; I140-F170 PolarHBondContact O-N 3.06Å; I140-F170 VanDerWaalsContact O-N 3.08Å; M141-F170 CarbonylContact C-O 3.56Å; M141-F170 WeakPolarHBondContact CA-O 3.15Å; M141-F170 HydrophobicContact CB-CE1 3.85Å; M141-F170 HydrophobicContact CB-CE2 3.81Å; M141-F170 HydrophobicContact CB-CZ 3.44Å; M141-F170 VanDerWaalsContact CB-CZ 3.44Å; M141-F170 HydrophobicContact CG-CD2 4.18Å; M141-F170 HydrophobicContact CG-CE2 3.59Å; M141-F170 HydrophobicContact CG-CZ 3.79Å; M141-F170 HydrophobicContact SD-CE2 3.95Å; M141-F170 HydrophobicContact SD-CZ 4.25Å; T142-F170 PolarHBondContact N-O 2.83Å; T142-F170 PolarHBondContact OG1-O 3.41Å; F170-L202 HydrophobicContact CE2-CD1 3.98Å; F170-L202 HydrophobicContact CZ-CD1 3.75Å; F170-A205 HydrophobicContact CD2-CB 3.91Å; F170-A205 HydrophobicContact CE2-CB 3.95Å; F170-L206 HydrophobicContact CE2-CD2 3.98Å; F170-L206 HydrophobicContact CE2-CG 4.28Å; F170-L206 HydrophobicContact CZ-CD2 3.87Å; F170-L206 HydrophobicContact CZ-CG 4.48Å; F170-E209 HydrophobicContact CB-CB 3.91Å; F170-E209 HydrophobicContact CB-CG 4.06Å; F170-V211 HydrophobicContact CB-CG2 3.76Å; F170-V211 HydrophobicContact CD1-CG2 4.06Å; F170-V211 HydrophobicContact CD2-CG2 4.17Å; F170-V211 HydrophobicContact CG-CG2 3.74Å |
| 171 | T | 96.8 | Very high | 95.5 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.5 | -168.5 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | T142 Q144 E147 | T142-T171 WeakPolarHBondContact O-CA 3.48Å; T142-T171 PolarHBondContact OG1-OG1 3.23Å; T142-T171 VanDerWaalsContact OG1-OG1 3.1Å; Q144-T171 HydrophobicContact CG-CG2 4.1Å; E147-T171 PolarHBondContact OE2-OG1 3.28Å |
| 172 | Q | 95.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | trans | -73.4 | 157.4 | 174.8 | 72 | 177.5 | 107.3 | 0 | 0 | 112.3 | M141 T142 P196 D197 G198 | M141-Q172 HydrophobicContact CE-CB 4.48Å; M141-Q172 HydrophobicContact CG-CB 4.15Å; M141-Q172 HydrophobicContact SD-CB 4.07Å; T142-Q172 WeakPolarHBondContact O-CG 3.04Å; T142-Q172 PolarHBondContact O-N 3.42Å; Q172-P196 HydrophobicContact CG-CB 4.33Å; Q172-D197 PolarHBondContact NE2-OD1 2.52Å; Q172-G198 PolarHBondContact NE2-O 2.87Å | ||
| 173 | S | 93.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | trans | -68.4 | 161 | 177.1 | -73 | 0 | 0 | 0 | 0 | 111.8 | D197 E204 | S173-D197 PolarHBondContact O-N 3.49Å; S173-E204 PolarHBondContact OG-OE1 3.03Å | ||
| 174 | L | 92.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 46.5 Ų | 46.5 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.8 | 172.6 | -63.1 | 178.9 | 0 | 0 | 0 | 109.5 | Q144 V194 A195 P196 | Q144-L174 HydrophobicContact CB-CD1 4.29Å; Q144-L174 HydrophobicContact CG-CD1 4Å; Q144-L174 HydrophobicContact CG-CG 4.4Å; L174-V194 HydrophobicContact CB-CB 4.24Å; L174-V194 HydrophobicContact CD1-CB 4.3Å; L174-V194 HydrophobicContact CD1-CG2 3.78Å; L174-A195 CarbonylContact C-O 3.46Å; L174-A195 WeakPolarHBondContact CA-O 3.31Å; L174-P196 HydrophobicContact CD2-CG 4.33Å |
| 175 | M | 92.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 43.6 Ų | 43.6 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.6 | 171.5 | -74.6 | -62.1 | -65.6 | 0 | 0 | 110.8 | V194 A195 D197 Y326 L353 | M175-V194 CarbonylContact O-C 3.43Å; M175-V194 WeakPolarHBondContact O-CA 3.38Å; M175-A195 PolarHBondContact N-O 2.67Å; M175-A195 PolarHBondContact O-N 2.95Å; M175-D197 HydrophobicContact CB-CB 4.49Å; M175-D197 HydrophobicContact CG-CB 3.62Å; M175-Y326 HydrophobicContact CE-CE1 3.9Å; M175-Y326 HydrophobicContact CG-CE1 3.99Å; M175-Y326 HydrophobicContact SD-CE1 4.01Å; M175-L353 HydrophobicContact CE-CD1 3.95Å |
| 176 | P | 93.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 43.4 Ų | 43.4 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 144.6 | 168.9 | -22.5 | 33.3 | 0 | 0 | 0 | 111.6 | F178 V184 I192 | P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.93Å; P176-F178 HydrophobicContact CG-CZ 4.44Å; P176-F178 WeakPolarHBondContact O-CD2 3.2Å; P176-F178 WeakPolarHBondContact O-CE2 3.4Å; P176-V184 HydrophobicContact CB-CG1 4.25Å; P176-V184 HydrophobicContact CB-CG2 4.26Å; P176-I192 HydrophobicContact CB-CD1 4.32Å; P176-I192 HydrophobicContact CG-CD1 4.2Å |
| 177 | C | 93.3 | Very high | 94 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -86.3 | 142.2 | 166.9 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | V184 I185 A193 I333 | C177-V184 WeakPolarHBondContact O-CA 3.3Å; C177-I185 HydrophobicContact CB-CD1 4.42Å; C177-I185 PolarHBondContact O-N 2.98Å; C177-A193 HydrophobicContact CB-CB 4.02Å; C177-A193 WeakPolarHBondContact CB-O 3.44Å; C177-A193 PolarHBondContact N-O 3.23Å; C177-I333 HydrophobicContact CB-CD1 4.05Å; C177-I333 HydrophobicContact CB-CG2 3.91Å | ||
| 178 | F | 95 | Very high | 93.7 | Very high | 51 Ų | 51 | 46 Ų | 46 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144 | -177.3 | -60.2 | -88.5 | 0 | 0 | 0 | 111.4 | P176 K183 V184 G350 F351 L353 | P176-F178 HydrophobicContact CB-CE2 4.09Å; P176-F178 HydrophobicContact CB-CZ 3.93Å; P176-F178 HydrophobicContact CG-CZ 4.44Å; P176-F178 WeakPolarHBondContact O-CD2 3.2Å; P176-F178 WeakPolarHBondContact O-CE2 3.4Å; F178-K183 CarbonylContact C-O 3.47Å; F178-K183 VanDerWaalsContact CA-O 3.23Å; F178-K183 WeakPolarHBondContact CA-O 3.49Å; F178-V184 HydrophobicContact CD1-CG2 4.14Å; F178-V184 HydrophobicContact CE1-CG2 3.74Å; F178-G350 CarbonylContact O-C 3.38Å; F178-G350 WeakPolarHBondContact O-CA 3.44Å; F178-F351 PolarHBondContact N-O 2.92Å; F178-F351 PolarHBondContact O-N 3.18Å; F178-L353 HydrophobicContact CD2-CD1 4.16Å; F178-L353 HydrophobicContact CD2-CG 4.34Å; F178-L353 HydrophobicContact CE2-CD1 3.69Å; F178-L353 HydrophobicContact CE2-CG 4.27Å |
| 179 | D | 92.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 23% | 0.225 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -179.5 | 171.7 | 77.4 | -1.9 | 0 | 0 | 0 | 111.8 | N181 G182 K183 I185 | D179-N181 PolarHBondContact O-N 3.06Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 VanDerWaalsContact OD1-C 3.3Å; D179-N181 VanDerWaalsContact OD1-CA 3.29Å; D179-N181 WeakPolarHBondContact OD1-CA 3.18Å; D179-N181 WeakPolarHBondContact OD1-CB 3.4Å; D179-N181 PolarHBondContact OD1-N 2.83Å; D179-G182 PolarHBondContact O-N 2.67Å; D179-G182 VanDerWaalsContact O-N 3.09Å; D179-G182 PolarHBondContact OD1-N 2.88Å; D179-K183 PolarHBondContact N-O 3.41Å; D179-K183 PolarHBondContact OD1-N 2.62Å; D179-I185 HydrophobicContact CB-CD1 4.32Å; D179-I185 HydrophobicContact CB-CG1 4Å |
| 180 | N | 91.3 | Very high | 93 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.4 | 178.4 | -70.4 | -36.9 | 0 | 0 | 0 | 114.7 | N349 | N180-N349 PolarHBondContact N-O 3.3Š|
| 181 | N | 92.2 | Very high | 92.6 | Very high | 129 Ų | 129 | 63.3 Ų | 63.3 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 6.8 | 177.7 | -55.2 | -55.2 | 0 | 0 | 0 | 112.5 | D179 K183 | D179-N181 PolarHBondContact O-N 3.06Å; D179-N181 VanDerWaalsContact O-N 3.11Å; D179-N181 VanDerWaalsContact OD1-C 3.3Å; D179-N181 VanDerWaalsContact OD1-CA 3.29Å; D179-N181 WeakPolarHBondContact OD1-CA 3.18Å; D179-N181 WeakPolarHBondContact OD1-CB 3.4Å; D179-N181 PolarHBondContact OD1-N 2.83Å; N181-K183 VanDerWaalsContact C-N 3.3Å; N181-K183 HydrophobicContact CB-CG 4.22Å; N181-K183 PolarHBondContact O-N 3.39Å |
| 182 | G | 89.5 | Confident | 92.5 | Very high | 51 Ų | 51 | 66 Ų | 66 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 72.1 | 20.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D179 | D179-G182 PolarHBondContact O-N 2.67Å; D179-G182 VanDerWaalsContact O-N 3.09Å; D179-G182 PolarHBondContact OD1-N 2.88Å |
| 183 | K | 92.7 | Very high | 92.3 | Very high | 137 Ų | 137 | 65.7 Ų | 65.7 | 60% | 0.596 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -95.6 | 145.5 | 175.6 | -53.3 | -55.1 | 179.6 | -174.2 | 0 | 110.2 | F178 D179 N181 I185 | F178-K183 CarbonylContact C-O 3.47Å; F178-K183 VanDerWaalsContact CA-O 3.23Å; F178-K183 WeakPolarHBondContact CA-O 3.49Å; D179-K183 PolarHBondContact N-O 3.41Å; D179-K183 PolarHBondContact OD1-N 2.62Å; N181-K183 VanDerWaalsContact C-N 3.3Å; N181-K183 HydrophobicContact CB-CG 4.22Å; N181-K183 PolarHBondContact O-N 3.39Å; K183-I185 PolarHBondContact O-N 2.85Å |
| 184 | V | 94.5 | Very high | 92.2 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 136.2 | 178.1 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | P176 C177 F178 I192 | P176-V184 HydrophobicContact CB-CG1 4.25Å; P176-V184 HydrophobicContact CB-CG2 4.26Å; C177-V184 WeakPolarHBondContact O-CA 3.3Å; F178-V184 HydrophobicContact CD1-CG2 4.14Å; F178-V184 HydrophobicContact CE1-CG2 3.74Å; V184-I192 HydrophobicContact CG1-CB 3.73Å; V184-I192 HydrophobicContact CG1-CD1 4.34Å; V184-I192 HydrophobicContact CG1-CG2 3.55Å |
| 185 | I | 91.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 132.7 | 175.2 | -64.8 | 171.8 | 0 | 0 | 0 | 109 | C177 D179 K183 I192 A193 I333 F335 | C177-I185 HydrophobicContact CB-CD1 4.42Å; C177-I185 PolarHBondContact O-N 2.98Å; D179-I185 HydrophobicContact CB-CD1 4.32Å; D179-I185 HydrophobicContact CB-CG1 4Å; K183-I185 PolarHBondContact O-N 2.85Å; I185-I192 WeakPolarHBondContact O-CA 3.44Å; I185-A193 HydrophobicContact CB-CB 4.06Å; I185-A193 HydrophobicContact CG2-CB 3.87Å; I185-A193 PolarHBondContact O-N 2.78Å; I185-I333 HydrophobicContact CD1-CB 4.03Å; I185-I333 HydrophobicContact CD1-CD1 4.09Å; I185-I333 HydrophobicContact CD1-CG2 3.84Å; I185-I333 HydrophobicContact CG2-CG2 4.21Å; I185-F335 HydrophobicContact CG2-CB 3.48Å; I185-F335 VanDerWaalsContact CG2-CB 3.48Å |
| 186 | L | 94.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.4 | 164.9 | -69.5 | 172.4 | 0 | 0 | 0 | 109.3 | H191 I192 F335 L336 | L186-H191 WeakPolarHBondContact CA-O 3.19Å; L186-H191 WeakPolarHBondContact CD2-O 3.23Å; L186-I192 HydrophobicContact CD2-CG2 3.73Å; L186-F335 CarbonylContact O-C 3.39Å; L186-F335 WeakPolarHBondContact O-CA 3.44Å; L186-L336 HydrophobicContact CB-CB 4.11Å; L186-L336 PolarHBondContact O-N 3.42Å |
| 187 | D | 90.7 | Very high | 92 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 24% | 0.235 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -11 | 168.3 | 61.4 | -4 | 0 | 0 | 0 | 112.3 | H191 A193 L342 | D187-H191 VanDerWaalsContact CG-ND1 3.3Å; D187-H191 PolarHBondContact N-O 3.45Å; D187-H191 VanDerWaalsContact N-O 3.15Å; D187-H191 WeakPolarHBondContact OD1-CB 3.45Å; D187-H191 IonicContact OD1-CE1 2.94Å; D187-H191 IonicContact OD1-CG 2.74Å; D187-H191 IonicContact OD1-ND1 3.6Å; D187-H191 PolarHBondContact OD1-ND1 3.1Å; D187-H191 IonicContact OD2-CE1 2.74Å; D187-H191 IonicContact OD2-ND1 2.64Å; D187-H191 PolarHBondContact OD2-ND1 3.33Å; D187-A193 HydrophobicContact CB-CB 4.12Å; D187-L342 HydrophobicContact CB-CD1 4.16Å; D187-L342 WeakPolarHBondContact O-CD1 3.44Å |
| 188 | A | 90.7 | Very high | 92 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 172.5 | 163 | 0 | 0 | 0 | 0 | 0 | 110.5 | D190 H191 | A188-D190 PolarHBondContact O-N 3.23Å; A188-H191 HydrophobicContact CB-CB 3.78Å; A188-H191 PolarHBondContact N-O 3.21Å; A188-H191 PolarHBondContact O-N 3.31Å; A188-H191 VanDerWaalsContact O-O 3.12Å |
| 189 | R | 89.9 | Confident | 91.9 | Very high | 200 Ų | 200 | 63.6 Ų | 63.6 | 76% | 0.755 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.4 | 180 | -68.9 | -178.9 | 179.2 | -168.5 | -2.5 | 112.9 | L336 | R189-L336 HydrophobicContact CG-CD2 3.96Š|
| 190 | D | 92.1 | Very high | 92 | Very high | 148 Ų | 148 | 61.7 Ų | 61.7 | 79% | 0.791 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 9.3 | -175 | 61 | -25.7 | 0 | 0 | 0 | 112.7 | A188 | A188-D190 PolarHBondContact O-N 3.23Š|
| 191 | H | 90.9 | Very high | 92.1 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.5 | -175.8 | -168.9 | -100.1 | 0 | 0 | 0 | 111.5 | L186 D187 A188 | L186-H191 WeakPolarHBondContact CA-O 3.19Å; L186-H191 WeakPolarHBondContact CD2-O 3.23Å; D187-H191 VanDerWaalsContact CG-ND1 3.3Å; D187-H191 PolarHBondContact N-O 3.45Å; D187-H191 VanDerWaalsContact N-O 3.15Å; D187-H191 WeakPolarHBondContact OD1-CB 3.45Å; D187-H191 IonicContact OD1-CE1 2.94Å; D187-H191 IonicContact OD1-CG 2.74Å; D187-H191 IonicContact OD1-ND1 3.6Å; D187-H191 PolarHBondContact OD1-ND1 3.1Å; D187-H191 IonicContact OD2-CE1 2.74Å; D187-H191 IonicContact OD2-ND1 2.64Å; D187-H191 PolarHBondContact OD2-ND1 3.33Å; A188-H191 HydrophobicContact CB-CB 3.78Å; A188-H191 PolarHBondContact N-O 3.21Å; A188-H191 PolarHBondContact O-N 3.31Å; A188-H191 VanDerWaalsContact O-O 3.12Å |
| 192 | I | 93.8 | Very high | 92.3 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 36% | 0.359 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.6 | 171.1 | 54.8 | 161.6 | 0 | 0 | 0 | 109.3 | P176 V184 I185 L186 V194 | P176-I192 HydrophobicContact CB-CD1 4.32Å; P176-I192 HydrophobicContact CG-CD1 4.2Å; V184-I192 HydrophobicContact CG1-CB 3.73Å; V184-I192 HydrophobicContact CG1-CD1 4.34Å; V184-I192 HydrophobicContact CG1-CG2 3.55Å; I185-I192 WeakPolarHBondContact O-CA 3.44Å; L186-I192 HydrophobicContact CD2-CG2 3.73Å; I192-V194 HydrophobicContact CD1-CG1 3.93Å; I192-V194 HydrophobicContact CG1-CG1 3.94Å; I192-V194 PolarHBondContact O-N 3.33Å |
| 193 | A | 90.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | trans | -64.4 | 121.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | C177 I185 D187 I333 | C177-A193 HydrophobicContact CB-CB 4.02Å; C177-A193 WeakPolarHBondContact CB-O 3.44Å; C177-A193 PolarHBondContact N-O 3.23Å; I185-A193 HydrophobicContact CB-CB 4.06Å; I185-A193 HydrophobicContact CG2-CB 3.87Å; I185-A193 PolarHBondContact O-N 2.78Å; D187-A193 HydrophobicContact CB-CB 4.12Å; A193-I333 HydrophobicContact CB-CG2 3.98Å | ||
| 194 | V | 92.5 | Very high | 92.7 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 29% | 0.291 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156 | -179.9 | -68.8 | 0 | 0 | 0 | 0 | 111 | L174 M175 I192 | L174-V194 HydrophobicContact CB-CB 4.24Å; L174-V194 HydrophobicContact CD1-CB 4.3Å; L174-V194 HydrophobicContact CD1-CG2 3.78Å; M175-V194 CarbonylContact O-C 3.43Å; M175-V194 WeakPolarHBondContact O-CA 3.38Å; I192-V194 HydrophobicContact CD1-CG1 3.93Å; I192-V194 HydrophobicContact CG1-CG1 3.94Å; I192-V194 PolarHBondContact O-N 3.33Å |
| 195 | A | 89.9 | Confident | 92.8 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L174 M175 D197 K352 | L174-A195 CarbonylContact C-O 3.46Å; L174-A195 WeakPolarHBondContact CA-O 3.31Å; M175-A195 PolarHBondContact N-O 2.67Å; M175-A195 PolarHBondContact O-N 2.95Å; A195-D197 PolarHBondContact O-N 3.11Å; A195-K352 HydrophobicContact CB-CD 3.61Å; A195-K352 HydrophobicContact CB-CG 4.17Å |
| 196 | P | 92.1 | Very high | 93 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 20% | 0.195 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 139.4 | 171.1 | -24 | 34.1 | 0 | 0 | 0 | 111.4 | Q172 L174 G198 | Q172-P196 HydrophobicContact CG-CB 4.33Å; L174-P196 HydrophobicContact CD2-CG 4.33Å; P196-G198 PolarHBondContact O-N 2.89Å |
| 197 | D | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | trans | -77.2 | 23.7 | -175.7 | 72.5 | -29.4 | 0 | 0 | 0 | 114.5 | Q172 S173 M175 A195 G201 K355 | Q172-D197 PolarHBondContact NE2-OD1 2.52Å; S173-D197 PolarHBondContact O-N 3.49Å; M175-D197 HydrophobicContact CB-CB 4.49Å; M175-D197 HydrophobicContact CG-CB 3.62Å; A195-D197 PolarHBondContact O-N 3.11Å; D197-G201 WeakPolarHBondContact OD1-CA 3.26Å; D197-G201 WeakPolarHBondContact OD2-CA 3.47Å; D197-K355 PolarHBondContact O-N 3.28Å | ||
| 198 | G | 92.1 | Very high | 93.2 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | trans | 82.4 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q172 P196 G200 G201 K355 | Q172-G198 PolarHBondContact NE2-O 2.87Å; P196-G198 PolarHBondContact O-N 2.89Å; G198-G200 PolarHBondContact O-N 2.89Å; G198-G201 PolarHBondContact O-N 2.64Å; G198-K355 CarbonylContact C-O 3.58Å | ||
| 199 | N | 94.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -72.6 | -17.4 | -178.9 | 62.5 | 16.5 | 0 | 0 | 0 | 113.2 | L83 G201 L202 K355 F356 I357 | L83-N199 HydrophobicContact CD1-CB 4.18Å; N199-G201 VanDerWaalsContact C-N 3.29Å; N199-L202 VanDerWaalsContact O-CB 3.31Å; N199-L202 WeakPolarHBondContact O-CB 3.31Å; N199-L202 PolarHBondContact O-N 3.31Å; N199-K355 PolarHBondContact N-O 2.8Å; N199-K355 PolarHBondContact OD1-O 2.79Å; N199-F356 VanDerWaalsContact OD1-CA 3.31Å; N199-F356 WeakPolarHBondContact OD1-CA 3.35Å; N199-I357 PolarHBondContact OD1-N 3.37Å |
| 200 | G | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -76.1 | -10.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G198 L202 Y203 K355 | G198-G200 PolarHBondContact O-N 2.89Å; G200-L202 PolarHBondContact O-N 3.25Å; G200-L202 VanDerWaalsContact O-N 3.11Å; G200-Y203 WeakPolarHBondContact O-CD2 3.43Å; G200-K355 WeakPolarHBondContact CA-O 3.38Å; G200-K355 PolarHBondContact N-O 3.44Å |
| 201 | G | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.9 | -12.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D197 G198 N199 Y203 E204 A205 | D197-G201 WeakPolarHBondContact OD1-CA 3.26Å; D197-G201 WeakPolarHBondContact OD2-CA 3.47Å; G198-G201 PolarHBondContact O-N 2.64Å; N199-G201 VanDerWaalsContact C-N 3.29Å; G201-Y203 VanDerWaalsContact C-N 3.33Å; G201-Y203 PolarHBondContact O-N 3.17Å; G201-E204 PolarHBondContact O-N 2.99Å; G201-A205 WeakPolarHBondContact O-CB 3.3Å; G201-A205 PolarHBondContact O-N 2.85Å |
| 202 | L | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -45 | -51 | 175.2 | 174.1 | 65.2 | 0 | 0 | 0 | 113.6 | I81 L83 M141 F170 N199 G200 E204 A205 L206 V225 I357 | I81-L202 HydrophobicContact CD1-CD1 4.3Å; I81-L202 HydrophobicContact CG2-CD1 3.81Å; L83-L202 HydrophobicContact CD2-CD1 4.22Å; L83-L202 HydrophobicContact CD2-CD2 4.21Å; M141-L202 HydrophobicContact CE-CB 4.41Å; M141-L202 VanDerWaalsContact SD-CA 3.54Å; M141-L202 HydrophobicContact SD-CB 3.87Å; M141-L202 HydrophobicContact SD-CD1 3.72Å; M141-L202 HydrophobicContact SD-CG 4.44Å; F170-L202 HydrophobicContact CE2-CD1 3.98Å; F170-L202 HydrophobicContact CZ-CD1 3.75Å; N199-L202 VanDerWaalsContact O-CB 3.31Å; N199-L202 WeakPolarHBondContact O-CB 3.31Å; N199-L202 PolarHBondContact O-N 3.31Å; G200-L202 PolarHBondContact O-N 3.25Å; G200-L202 VanDerWaalsContact O-N 3.11Å; L202-E204 PolarHBondContact O-N 3.16Å; L202-A205 PolarHBondContact O-N 3.34Å; L202-L206 HydrophobicContact CD1-CD1 3.79Å; L202-L206 HydrophobicContact CD1-CD2 4.24Å; L202-L206 HydrophobicContact CD1-CG 3.75Å; L202-L206 HydrophobicContact CD2-CD1 4.44Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.17Å; L202-L206 WeakPolarHBondContact O-CB 2.83Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.36Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-V225 HydrophobicContact CD2-CG1 3.87Å; L202-V225 HydrophobicContact CD2-CG2 4.49Å; L202-I357 HydrophobicContact CD2-CD1 3.78Å; L202-I357 HydrophobicContact CD2-CG1 4.26Å |
| 203 | Y | 96.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | -169.7 | -53.2 | -73.9 | 0 | 0 | 0 | 112.1 | G200 G201 K207 F309 L314 V317 A318 L324 I357 V360 | G200-Y203 WeakPolarHBondContact O-CD2 3.43Å; G201-Y203 VanDerWaalsContact C-N 3.33Å; G201-Y203 PolarHBondContact O-N 3.17Å; Y203-K207 PolarHBondContact O-N 2.87Å; Y203-F309 VanDerWaalsContact OH-CZ 3.3Å; Y203-F309 WeakPolarHBondContact OH-CZ 3.41Å; Y203-L314 HydrophobicContact CD1-CD2 4.02Å; Y203-L314 HydrophobicContact CE1-CD2 3.74Å; Y203-V317 HydrophobicContact CD1-CG2 3.55Å; Y203-V317 HydrophobicContact CE1-CG2 3.98Å; Y203-V317 HydrophobicContact CG-CG2 4.2Å; Y203-A318 WeakPolarHBondContact O-CB 3.32Å; Y203-L324 HydrophobicContact CD2-CD1 3.53Å; Y203-L324 HydrophobicContact CE2-CD1 3.76Å; Y203-I357 HydrophobicContact CE2-CG1 4.46Å; Y203-I357 WeakPolarHBondContact OH-CG1 3.41Å; Y203-I357 PolarHBondContact OH-O 2.77Å; Y203-V360 HydrophobicContact CD1-CG1 4.21Å; Y203-V360 HydrophobicContact CD2-CG1 3.69Å; Y203-V360 HydrophobicContact CE1-CG1 3.81Å; Y203-V360 HydrophobicContact CE1-CG2 4.23Å; Y203-V360 HydrophobicContact CE2-CB 4.33Å; Y203-V360 HydrophobicContact CE2-CG1 3.22Å; Y203-V360 HydrophobicContact CE2-CG2 4.28Å; Y203-V360 HydrophobicContact CG-CG1 4.16Å; Y203-V360 WeakPolarHBondContact OH-CG2 3.35Å |
| 204 | E | 94.1 | Very high | 94.9 | Very high | 79 Ų | 79 | 34.6 Ų | 34.6 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.9 | -47 | 173.6 | -173.7 | -174.2 | 136.5 | 0 | 0 | 110.6 | S173 G201 L202 L206 K207 K208 K355 | S173-E204 PolarHBondContact OG-OE1 3.03Å; G201-E204 PolarHBondContact O-N 2.99Å; L202-E204 PolarHBondContact O-N 3.16Å; E204-L206 PolarHBondContact O-N 3.48Å; E204-K207 PolarHBondContact O-N 3.08Å; E204-K208 VanDerWaalsContact O-CB 3.31Å; E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 PolarHBondContact O-N 2.76Å; E204-K355 IonicContact OE2-NZ 3.21Å; E204-K355 PolarHBondContact OE2-NZ 3.02Å |
| 205 | A | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F170 G201 L202 K207 K208 E209 | F170-A205 HydrophobicContact CD2-CB 3.91Å; F170-A205 HydrophobicContact CE2-CB 3.95Å; G201-A205 WeakPolarHBondContact O-CB 3.3Å; G201-A205 PolarHBondContact O-N 2.85Å; L202-A205 PolarHBondContact O-N 3.34Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 PolarHBondContact O-N 2.86Å; A205-K208 PolarHBondContact O-N 2.9Å; A205-E209 VanDerWaalsContact O-CB 3.23Å; A205-E209 WeakPolarHBondContact O-CB 3.4Å; A205-E209 VanDerWaalsContact O-CG 3.31Å; A205-E209 WeakPolarHBondContact O-CG 3.46Å; A205-E209 PolarHBondContact O-N 2.84Å |
| 206 | L | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 177.4 | -77.4 | 176.6 | 0 | 0 | 0 | 113 | I81 F170 L202 E204 V211 L212 L314 | I81-L206 HydrophobicContact CD1-CD1 3.96Å; I81-L206 HydrophobicContact CD1-CD2 3.85Å; I81-L206 HydrophobicContact CD1-CG 4.47Å; F170-L206 HydrophobicContact CE2-CD2 3.98Å; F170-L206 HydrophobicContact CE2-CG 4.28Å; F170-L206 HydrophobicContact CZ-CD2 3.87Å; F170-L206 HydrophobicContact CZ-CG 4.48Å; L202-L206 HydrophobicContact CD1-CD1 3.79Å; L202-L206 HydrophobicContact CD1-CD2 4.24Å; L202-L206 HydrophobicContact CD1-CG 3.75Å; L202-L206 HydrophobicContact CD2-CD1 4.44Å; L202-L206 HydrophobicContact CG-CD1 3.81Å; L202-L206 HydrophobicContact CG-CG 4.17Å; L202-L206 WeakPolarHBondContact O-CB 2.83Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.36Å; L202-L206 PolarHBondContact O-N 2.85Å; E204-L206 PolarHBondContact O-N 3.48Å; L206-V211 HydrophobicContact CD2-CB 3.7Å; L206-V211 HydrophobicContact CD2-CG1 3.54Å; L206-V211 HydrophobicContact CD2-CG2 4.34Å; L206-V211 PolarHBondContact O-N 3.5Å; L206-V211 VanDerWaalsContact O-N 3.11Å; L206-L212 HydrophobicContact CB-CD1 4.32Å; L206-L212 HydrophobicContact CB-CD2 4.08Å; L206-L212 HydrophobicContact CB-CG 3.92Å; L206-L212 HydrophobicContact CD1-CD2 4.18Å; L206-L212 PolarHBondContact O-N 3.33Å; L206-L314 HydrophobicContact CD1-CD1 4.31Å; L206-L314 HydrophobicContact CD1-CD2 4.35Å |
| 207 | K | 94.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 37.9 Ų | 37.9 | 37% | 0.365 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -75.3 | -51.2 | 175.9 | 171.6 | 174.1 | 170.1 | -176.6 | 0 | 111 | Y203 E204 A205 E209 G210 A318 D321 | Y203-K207 PolarHBondContact O-N 2.87Å; E204-K207 PolarHBondContact O-N 3.08Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 PolarHBondContact O-N 2.86Å; K207-E209 PolarHBondContact O-N 3.32Å; K207-G210 PolarHBondContact O-N 3.27Å; K207-A318 HydrophobicContact CB-CB 4.17Å; K207-A318 WeakPolarHBondContact CD-O 3.48Å; K207-D321 IonicContact NZ-OD1 3.77Å; K207-D321 PolarHBondContact NZ-OD1 2.87Å; K207-D321 IonicContact NZ-OD2 2.92Å; K207-D321 PolarHBondContact NZ-OD2 3.18Å |
| 208 | K | 94.4 | Very high | 96.2 | Very high | 138 Ų | 138 | 42.4 Ų | 42.4 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.6 | -42.4 | -175.5 | -179.1 | -175.9 | 171.8 | -172.1 | 0 | 112.6 | E204 A205 G210 | E204-K208 VanDerWaalsContact O-CB 3.31Å; E204-K208 WeakPolarHBondContact O-CB 3.48Å; E204-K208 PolarHBondContact O-N 2.76Å; A205-K208 PolarHBondContact O-N 2.9Å; K208-G210 VanDerWaalsContact C-N 3.28Å; K208-G210 PolarHBondContact O-N 2.94Å |
| 209 | E | 96.1 | Very high | 96.5 | Very high | 90 Ų | 90 | 44 Ų | 44 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.2 | -176.1 | -57.7 | -70.6 | 118.6 | 0 | 0 | 112.4 | F170 A205 K207 V211 | F170-E209 HydrophobicContact CB-CB 3.91Å; F170-E209 HydrophobicContact CB-CG 4.06Å; A205-E209 VanDerWaalsContact O-CB 3.23Å; A205-E209 WeakPolarHBondContact O-CB 3.4Å; A205-E209 VanDerWaalsContact O-CG 3.31Å; A205-E209 WeakPolarHBondContact O-CG 3.46Å; A205-E209 PolarHBondContact O-N 2.84Å; K207-E209 PolarHBondContact O-N 3.32Å; E209-V211 HydrophobicContact CB-CG2 4.09Å; E209-V211 PolarHBondContact O-N 3.44Å; E209-V211 VanDerWaalsContact O-N 3.14Å |
| 210 | G | 96.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 10.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K207 K208 L212 D213 V214 | K207-G210 PolarHBondContact O-N 3.27Å; K208-G210 VanDerWaalsContact C-N 3.28Å; K208-G210 PolarHBondContact O-N 2.94Å; G210-L212 VanDerWaalsContact C-N 3.3Å; G210-L212 PolarHBondContact O-N 2.8Å; G210-D213 PolarHBondContact O-N 3.45Å; G210-D213 VanDerWaalsContact O-N 3.14Å; G210-V214 PolarHBondContact O-N 3.42Å |
| 211 | V | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | -175.7 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | C139 I168 F170 L206 E209 D213 V214 L215 | C139-V211 HydrophobicContact CB-CG1 4.43Å; I168-V211 HydrophobicContact CG2-CG2 4.23Å; F170-V211 HydrophobicContact CB-CG2 3.76Å; F170-V211 HydrophobicContact CD1-CG2 4.06Å; F170-V211 HydrophobicContact CD2-CG2 4.17Å; F170-V211 HydrophobicContact CG-CG2 3.74Å; L206-V211 HydrophobicContact CD2-CB 3.7Å; L206-V211 HydrophobicContact CD2-CG1 3.54Å; L206-V211 HydrophobicContact CD2-CG2 4.34Å; L206-V211 PolarHBondContact O-N 3.5Å; L206-V211 VanDerWaalsContact O-N 3.11Å; E209-V211 HydrophobicContact CB-CG2 4.09Å; E209-V211 PolarHBondContact O-N 3.44Å; E209-V211 VanDerWaalsContact O-N 3.14Å; V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 3.17Å; V211-V214 PolarHBondContact O-N 3.43Å; V211-L215 HydrophobicContact CG1-CD1 4.15Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 VanDerWaalsContact O-CG 3.32Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 3.05Å |
| 212 | L | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -35.4 | 178.1 | -64.1 | 176.3 | 0 | 0 | 0 | 112.8 | L206 G210 S216 L311 L314 Q315 A318 | L206-L212 HydrophobicContact CB-CD1 4.32Å; L206-L212 HydrophobicContact CB-CD2 4.08Å; L206-L212 HydrophobicContact CB-CG 3.92Å; L206-L212 HydrophobicContact CD1-CD2 4.18Å; L206-L212 PolarHBondContact O-N 3.33Å; G210-L212 VanDerWaalsContact C-N 3.3Å; G210-L212 PolarHBondContact O-N 2.8Å; L212-S216 WeakPolarHBondContact O-CB 3.49Å; L212-S216 PolarHBondContact O-N 3.27Å; L212-L311 HydrophobicContact CD2-CD1 4.02Å; L212-L314 HydrophobicContact CD2-CB 3.88Å; L212-Q315 HydrophobicContact CB-CG 4.45Å; L212-Q315 HydrophobicContact CD1-CG 4.37Å; L212-A318 HydrophobicContact CD1-CB 3.69Å |
| 213 | D | 97.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.5 | -38.3 | 179.8 | -63 | -30.5 | 0 | 0 | 0 | 110.5 | G210 V211 S216 A217 K319 | G210-D213 PolarHBondContact O-N 3.45Å; G210-D213 VanDerWaalsContact O-N 3.14Å; V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 3.17Å; D213-S216 PolarHBondContact O-N 2.9Å; D213-A217 WeakPolarHBondContact O-CB 3.21Å; D213-A217 PolarHBondContact O-N 2.9Å; D213-K319 IonicContact OD1-NZ 3.84Å |
| 214 | V | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 172.6 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | I168 G210 V211 S216 A217 K218 | I168-V214 HydrophobicContact CD1-CB 4.29Å; I168-V214 HydrophobicContact CD1-CG1 3.51Å; G210-V214 PolarHBondContact O-N 3.42Å; V211-V214 PolarHBondContact O-N 3.43Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.84Å; V214-A217 PolarHBondContact O-N 3Å; V214-K218 HydrophobicContact CG1-CD 4.18Å; V214-K218 WeakPolarHBondContact O-CG 3.48Å; V214-K218 PolarHBondContact O-N 3.26Å; V214-K218 VanDerWaalsContact O-N 3.07Å |
| 215 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.1 | -67.1 | 179.2 | 0 | 0 | 0 | 111.5 | A79 T137 V211 K218 G219 I220 V223 L311 | A79-L215 HydrophobicContact CB-CD2 3.68Å; T137-L215 HydrophobicContact CG2-CD2 3.98Å; V211-L215 HydrophobicContact CG1-CD1 4.15Å; V211-L215 HydrophobicContact CG1-CG 4.22Å; V211-L215 VanDerWaalsContact O-CG 3.32Å; V211-L215 WeakPolarHBondContact O-CG 3.36Å; V211-L215 PolarHBondContact O-N 3.05Å; L215-K218 PolarHBondContact O-N 2.72Å; L215-G219 PolarHBondContact O-N 3.12Å; L215-I220 HydrophobicContact CB-CB 4.12Å; L215-I220 HydrophobicContact CB-CG1 4.24Å; L215-I220 HydrophobicContact CD2-CB 4.45Å; L215-I220 HydrophobicContact CD2-CG1 3.93Å; L215-I220 HydrophobicContact CD2-CG2 4.46Å; L215-I220 VanDerWaalsContact O-CB 3.32Å; L215-I220 WeakPolarHBondContact O-CB 3.18Å; L215-I220 WeakPolarHBondContact O-CG1 3.46Å; L215-I220 PolarHBondContact O-N 3Å; L215-V223 HydrophobicContact CD1-CG2 4.21Å; L215-L311 HydrophobicContact CB-CD1 3.96Å; L215-L311 HydrophobicContact CB-CD2 4.28Å; L215-L311 HydrophobicContact CD1-CD1 4.24Å |
| 216 | S | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 46.2 Ų | 46.2 | 42% | 0.42 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.1 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | L212 D213 V214 K218 G219 | L212-S216 WeakPolarHBondContact O-CB 3.49Å; L212-S216 PolarHBondContact O-N 3.27Å; D213-S216 PolarHBondContact O-N 2.9Å; V214-S216 VanDerWaalsContact C-N 3.32Å; V214-S216 PolarHBondContact O-N 2.84Å; S216-K218 PolarHBondContact O-N 3.32Å; S216-G219 PolarHBondContact O-N 3.11Å |
| 217 | A | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 77% | 0.769 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.5 | -29.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D213 V214 G219 | D213-A217 WeakPolarHBondContact O-CB 3.21Å; D213-A217 PolarHBondContact O-N 2.9Å; V214-A217 PolarHBondContact O-N 3Å; A217-G219 VanDerWaalsContact C-N 3.29Å |
| 218 | K | 97.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 43.7 Ų | 43.7 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.3 | 174.5 | -72.7 | 175.8 | 177.3 | -74.8 | 0 | 114 | T137 V214 L215 S216 I220 | T137-K218 HydrophobicContact CG2-CD 4.27Å; T137-K218 WeakPolarHBondContact OG1-CD 3.36Å; V214-K218 HydrophobicContact CG1-CD 4.18Å; V214-K218 WeakPolarHBondContact O-CG 3.48Å; V214-K218 PolarHBondContact O-N 3.26Å; V214-K218 VanDerWaalsContact O-N 3.07Å; L215-K218 PolarHBondContact O-N 2.72Å; S216-K218 PolarHBondContact O-N 3.32Å; K218-I220 VanDerWaalsContact C-N 3.33Å; K218-I220 HydrophobicContact CB-CD1 4.46Å; K218-I220 HydrophobicContact CB-CG1 4.01Å |
| 219 | G | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 42% | 0.423 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 19.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | L215 S216 A217 | L215-G219 PolarHBondContact O-N 3.12Å; S216-G219 PolarHBondContact O-N 3.11Å; A217-G219 VanDerWaalsContact C-N 3.29Å |
| 220 | I | 98.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | trans | -65 | 139.1 | 179.4 | -58.6 | -60 | 0 | 0 | 0 | 110.3 | G76 A79 L215 K218 V223 L311 | G76-I220 WeakPolarHBondContact O-CD1 3.13Å; A79-I220 HydrophobicContact CB-CD1 4.04Å; A79-I220 HydrophobicContact CB-CG1 4.14Å; A79-I220 HydrophobicContact CB-CG2 3.72Å; L215-I220 HydrophobicContact CB-CB 4.12Å; L215-I220 HydrophobicContact CB-CG1 4.24Å; L215-I220 HydrophobicContact CD2-CB 4.45Å; L215-I220 HydrophobicContact CD2-CG1 3.93Å; L215-I220 HydrophobicContact CD2-CG2 4.46Å; L215-I220 VanDerWaalsContact O-CB 3.32Å; L215-I220 WeakPolarHBondContact O-CB 3.18Å; L215-I220 WeakPolarHBondContact O-CG1 3.46Å; L215-I220 PolarHBondContact O-N 3Å; K218-I220 VanDerWaalsContact C-N 3.33Å; K218-I220 HydrophobicContact CB-CD1 4.46Å; K218-I220 HydrophobicContact CB-CG1 4.01Å; I220-V223 HydrophobicContact CG2-CG2 3.87Å; I220-L311 WeakPolarHBondContact O-CD2 3.29Å | ||
| 221 | R | 98.5 | Very high | 97.9 | Very high | 142 Ų | 142 | 32.9 Ų | 32.9 | 54% | 0.536 | 19% | 0.189 | S | C | . | . | trans | -120.5 | -36.5 | 176.5 | -62.8 | -171 | 175.7 | -162 | -2.3 | 113 | Q77 T310 L311 | Q77-R221 HydrophobicContact CB-CB 4.24Å; Q77-R221 HydrophobicContact CB-CG 4.27Å; Q77-R221 HydrophobicContact CG-CG 4.38Å; Q77-R221 PolarHBondContact O-N 2.74Å; R221-T310 CarbonylContact O-C 3.55Å; R221-T310 VanDerWaalsContact O-CA 3.3Å; R221-T310 WeakPolarHBondContact O-CA 3.2Å; R221-L311 PolarHBondContact O-N 2.78Å | ||
| 222 | Y | 98.8 | Very high | 97.9 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.8 | -175.4 | -51 | -72.7 | 0 | 0 | 0 | 109.8 | A72 Q77 V78 A79 I241 R245 L308 T310 | A72-Y222 HydrophobicContact CB-CD2 4.04Å; A72-Y222 HydrophobicContact CB-CE2 4.11Å; Q77-Y222 HydrophobicContact CB-CD2 4.48Å; Q77-Y222 PolarHBondContact O-N 3.36Å; V78-Y222 WeakPolarHBondContact CA-O 3.4Å; A79-Y222 PolarHBondContact N-O 3.46Å; Y222-I241 HydrophobicContact CD2-CG2 4.17Å; Y222-I241 HydrophobicContact CG-CG2 4.23Å; Y222-R245 HydrophobicContact CE1-CG 3.77Å; Y222-R245 HydrophobicContact CE2-CG 3.89Å; Y222-R245 VanDerWaalsContact CZ-CG 3.42Å; Y222-R245 WeakPolarHBondContact OH-CG 3.29Å; Y222-L308 HydrophobicContact CD1-CD2 4.2Å; Y222-T310 HydrophobicContact CD1-CG2 4.45Å; Y222-T310 HydrophobicContact CE1-CG2 4.45Å |
| 223 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 108.8 | -177.2 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | A79 I81 L215 I220 V225 L308 F309 L314 | A79-V223 WeakPolarHBondContact O-CA 3.46Å; I81-V223 HydrophobicContact CD1-CG1 3.38Å; I81-V223 HydrophobicContact CG1-CG1 3.58Å; L215-V223 HydrophobicContact CD1-CG2 4.21Å; I220-V223 HydrophobicContact CG2-CG2 3.87Å; V223-V225 HydrophobicContact CG1-CG2 4.11Å; V223-L308 WeakPolarHBondContact O-CA 3.47Å; V223-F309 PolarHBondContact N-O 2.86Å; V223-F309 PolarHBondContact O-N 2.87Å; V223-L314 HydrophobicContact CB-CD1 3.8Å; V223-L314 HydrophobicContact CG1-CD1 3.93Å; V223-L314 HydrophobicContact CG2-CD1 3.85Å |
| 224 | H | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.8 | 176.4 | 171.2 | -169 | 0 | 0 | 0 | 109.5 | A79 V80 I81 R234 A236 N306 H307 | A79-H224 PolarHBondContact O-N 3.36Å; V80-H224 CarbonylContact C-O 3.5Å; V80-H224 WeakPolarHBondContact CA-O 3.41Å; V80-H224 HydrophobicContact CG1-CB 4.22Å; I81-H224 PolarHBondContact N-O 3.26Å; H224-R234 PolarHBondContact CE1-O 3.11Å; H224-A236 WeakPolarHBondContact ND1-CA 3.4Å; H224-A236 PolarHBondContact ND1-N 3.04Å; H224-N306 PolarHBondContact CD2-OD1 3.41Å; H224-N306 PolarHBondContact NE2-ND2 3.45Å; H224-N306 PolarHBondContact NE2-OD1 2.76Å; H224-H307 CarbonylContact C-O 3.59Å; H224-H307 VanDerWaalsContact CA-O 3.31Å; H224-H307 WeakPolarHBondContact CA-O 3.24Å; H224-H307 PolarHBondContact CD2-O 2.85Å |
| 225 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.7 | -177.5 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | I81 L83 L202 V223 H307 F309 I357 | I81-V225 HydrophobicContact CB-CB 4.35Å; I81-V225 HydrophobicContact CB-CG1 4Å; I81-V225 HydrophobicContact CB-CG2 4Å; I81-V225 HydrophobicContact CD1-CG2 4.01Å; I81-V225 HydrophobicContact CG1-CG2 4.37Å; I81-V225 HydrophobicContact CG2-CG1 4.11Å; I81-V225 WeakPolarHBondContact O-CA 3.48Å; L83-V225 HydrophobicContact CD1-CG1 4.04Å; L83-V225 HydrophobicContact CD2-CG1 3.8Å; L83-V225 HydrophobicContact CG-CG1 3.94Å; L202-V225 HydrophobicContact CD2-CG1 3.87Å; L202-V225 HydrophobicContact CD2-CG2 4.49Å; V223-V225 HydrophobicContact CG1-CG2 4.11Å; V225-H307 HydrophobicContact CB-CB 4.49Å; V225-H307 PolarHBondContact N-O 3.28Å; V225-H307 PolarHBondContact O-N 2.87Å; V225-F309 HydrophobicContact CB-CD2 4.36Å; V225-F309 HydrophobicContact CB-CE2 4.09Å; V225-F309 HydrophobicContact CG2-CD2 3.52Å; V225-F309 HydrophobicContact CG2-CE2 3.69Å; V225-I357 HydrophobicContact CB-CD1 4.22Å; V225-I357 HydrophobicContact CG1-CD1 3.48Å; V225-I357 VanDerWaalsContact CG1-CD1 3.48Å |
| 226 | Y | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.9 | -174.9 | 70.1 | -77.8 | 0 | 0 | 0 | 113 | V80 I81 L82 L83 Q114 W138 V233 V235 | V80-Y226 HydrophobicContact CB-CE1 4.12Å; I81-Y226 WeakPolarHBondContact O-CD1 3.48Å; I81-Y226 PolarHBondContact O-N 2.83Å; L82-Y226 HydrophobicContact CB-CE1 4.34Å; L82-Y226 HydrophobicContact CD1-CD2 4.04Å; L82-Y226 HydrophobicContact CD1-CE1 4.48Å; L82-Y226 HydrophobicContact CD1-CE2 3.53Å; L83-Y226 WeakPolarHBondContact CG-O 3.31Å; L83-Y226 PolarHBondContact N-O 3.26Å; Q114-Y226 HydrophobicContact CG-CE2 4.38Å; Q114-Y226 VanDerWaalsContact OE1-CE2 3.22Å; Q114-Y226 PolarHBondContact OE1-OH 3.11Å; W138-Y226 WeakPolarHBondContact CZ2-OH 3.23Å; W138-Y226 PolarHBondContact NE1-OH 2.71Å; Y226-V233 HydrophobicContact CD2-CB 4.33Å; Y226-V233 HydrophobicContact CD2-CG1 4.07Å; Y226-V233 HydrophobicContact CD2-CG2 3.61Å; Y226-V233 HydrophobicContact CE2-CG1 3.99Å; Y226-V233 HydrophobicContact CE2-CG2 4.22Å; Y226-V233 HydrophobicContact CG-CG2 4Å; Y226-V235 HydrophobicContact CE1-CG1 3.81Å; Y226-V235 HydrophobicContact CE1-CG2 4.38Å; Y226-V235 HydrophobicContact CE2-CG2 3.94Å |
| 227 | C | 96.1 | Very high | 97.9 | Very high | 23 Ų | 23 | 23.7 Ų | 23.7 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.1 | 176.4 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | D229 | C227-D229 WeakPolarHBondContact CB-OD1 3.38Å; C227-D229 PolarHBondContact O-N 3.19Å; C227-D229 VanDerWaalsContact O-N 3.13Å |
| 228 | V | 95.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.048 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.9 | -179.7 | 69.9 | 0 | 0 | 0 | 0 | 114.1 | L82 L83 K97 F111 Q114 N230 | L82-V228 VanDerWaalsContact CD1-CA 3.45Å; L82-V228 HydrophobicContact CD1-CB 3.57Å; L82-V228 HydrophobicContact CD1-CG2 4.09Å; L82-V228 HydrophobicContact CD2-CG2 4.27Å; L82-V228 HydrophobicContact CG-CB 4.32Å; L83-V228 PolarHBondContact O-N 3.38Å; K97-V228 HydrophobicContact CB-CG1 4.18Å; K97-V228 HydrophobicContact CD-CG1 4.4Å; F111-V228 HydrophobicContact CD1-CG2 4.23Å; F111-V228 HydrophobicContact CE1-CG2 3.9Å; Q114-V228 PolarHBondContact NE2-O 3.32Å; V228-N230 PolarHBondContact O-N 3.14Å |
| 229 | D | 95.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 9% | 0.091 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 8.9 | -167.3 | 57.6 | 12.3 | 0 | 0 | 0 | 116.2 | K97 C227 P380 L381 K382 | K97-D229 HydrophobicContact CD-CB 3.48Å; K97-D229 VanDerWaalsContact CD-CB 3.48Å; K97-D229 IonicContact NZ-OD2 3.26Å; K97-D229 PolarHBondContact NZ-OD2 2.98Å; C227-D229 WeakPolarHBondContact CB-OD1 3.38Å; C227-D229 PolarHBondContact O-N 3.19Å; C227-D229 VanDerWaalsContact O-N 3.13Å; D229-P380 CarbonylContact O-C 3.54Å; D229-P380 VanDerWaalsContact O-CA 3.29Å; D229-P380 WeakPolarHBondContact O-CA 3.36Å; D229-L381 HydrophobicContact CB-CB 4.46Å; D229-L381 WeakPolarHBondContact CB-O 3.42Å; D229-L381 PolarHBondContact O-N 3.45Å; D229-K382 IonicContact OD1-NZ 3.74Å; D229-K382 PolarHBondContact OD1-NZ 3.48Å; D229-K382 WeakPolarHBondContact OD2-CD 3.17Å; D229-K382 WeakPolarHBondContact OD2-CE 3.35Å; D229-K382 IonicContact OD2-NZ 2.77Å; D229-K382 PolarHBondContact OD2-NZ 2.74Å |
| 230 | N | 97.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 109.3 | 174.5 | 178.2 | 11.7 | 0 | 0 | 0 | 110.4 | V228 L232 V233 E377 S379 | V228-N230 PolarHBondContact O-N 3.14Å; N230-L232 PolarHBondContact O-N 3.11Å; N230-L232 PolarHBondContact OD1-N 3.33Å; N230-L232 VanDerWaalsContact OD1-N 3.12Å; N230-V233 HydrophobicContact CB-CB 4.15Å; N230-V233 WeakPolarHBondContact O-CB 3.31Å; N230-V233 WeakPolarHBondContact O-CG1 3.23Å; N230-V233 PolarHBondContact O-N 2.99Å; N230-E377 PolarHBondContact ND2-O 3.14Å; N230-S379 PolarHBondContact OD1-N 2.66Å; N230-S379 PolarHBondContact OD1-O 3.49Å |
| 231 | I | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.9 | -178 | -164.2 | 168.8 | 0 | 0 | 0 | 112.4 | V102 L110 L113 R117 V233 S379 C395 L399 | V102-I231 HydrophobicContact CG1-CD1 4.36Å; V102-I231 HydrophobicContact CG2-CD1 3.5Å; V102-I231 VanDerWaalsContact CG2-CD1 3.5Å; L110-I231 HydrophobicContact CD2-CB 4.24Å; L110-I231 HydrophobicContact CD2-CD1 4.46Å; L110-I231 HydrophobicContact CD2-CG1 4.09Å; L113-I231 HydrophobicContact CD1-CD1 4.28Å; L113-I231 HydrophobicContact CD1-CG1 4.01Å; R117-I231 PolarHBondContact NH1-O 3.04Å; R117-I231 PolarHBondContact NH2-O 3.05Å; I231-V233 VanDerWaalsContact C-N 3.33Å; I231-S379 PolarHBondContact N-O 3.01Å; I231-S379 VanDerWaalsContact N-O 3.15Å; I231-C395 HydrophobicContact CB-CB 4.44Å; I231-C395 HydrophobicContact CD1-CB 4.28Å; I231-C395 HydrophobicContact CG2-CB 3.88Å; I231-L399 HydrophobicContact CD1-CB 4.42Å; I231-L399 HydrophobicContact CD1-CD2 4.05Å; I231-L399 HydrophobicContact CG1-CD1 4.49Å; I231-L399 HydrophobicContact CG1-CD2 4.41Å |
| 232 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 6.1 Ų | 6.1 | 2% | 0.016 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 7 | -179.6 | -56.2 | -174.3 | 0 | 0 | 0 | 113.2 | N230 R234 D398 L399 L402 | N230-L232 PolarHBondContact O-N 3.11Å; N230-L232 PolarHBondContact OD1-N 3.33Å; N230-L232 VanDerWaalsContact OD1-N 3.12Å; L232-R234 PolarHBondContact O-N 3.34Å; L232-D398 HydrophobicContact CD1-CB 4.3Å; L232-L399 HydrophobicContact CD2-CB 4.2Å; L232-L399 HydrophobicContact CD2-CD1 3.68Å; L232-L402 HydrophobicContact CD2-CD2 3.89Å |
| 233 | V | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | trans | -60.1 | 122.6 | -175.7 | 65.4 | 0 | 0 | 0 | 0 | 112.7 | Q114 R117 Y226 N230 I231 V235 | Q114-V233 HydrophobicContact CG-CG1 4.09Å; R117-V233 WeakPolarHBondContact CD-O 3.49Å; R117-V233 PolarHBondContact NH1-O 3.1Å; Y226-V233 HydrophobicContact CD2-CB 4.33Å; Y226-V233 HydrophobicContact CD2-CG1 4.07Å; Y226-V233 HydrophobicContact CD2-CG2 3.61Å; Y226-V233 HydrophobicContact CE2-CG1 3.99Å; Y226-V233 HydrophobicContact CE2-CG2 4.22Å; Y226-V233 HydrophobicContact CG-CG2 4Å; N230-V233 HydrophobicContact CB-CB 4.15Å; N230-V233 WeakPolarHBondContact O-CB 3.31Å; N230-V233 WeakPolarHBondContact O-CG1 3.23Å; N230-V233 PolarHBondContact O-N 2.99Å; I231-V233 VanDerWaalsContact C-N 3.33Å; V233-V235 VanDerWaalsContact C-N 3.33Å; V233-V235 HydrophobicContact CG1-CG2 3.79Å; V233-V235 HydrophobicContact CG2-CG2 4.37Å; V233-V235 PolarHBondContact O-N 2.97Å | ||
| 234 | R | 97.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 4.7 Ų | 4.7 | 7% | 0.072 | 3% | 0.025 | C | C | . | . | trans | -79.4 | 79.2 | 168.9 | -66.3 | -169.5 | -175.8 | -171.2 | 4.9 | 110.2 | R54 H224 L232 A236 D237 E376 E377 Y432 | R54-R234 VanDerWaalsContact CZ-NH1 3.3Å; R54-R234 VanDerWaalsContact NH2-NH1 3.14Å; H224-R234 PolarHBondContact CE1-O 3.11Å; L232-R234 PolarHBondContact O-N 3.34Å; R234-A236 PolarHBondContact O-N 2.63Å; R234-D237 HydrophobicContact CB-CB 3.87Å; R234-D237 WeakPolarHBondContact O-CB 3.34Å; R234-D237 PolarHBondContact O-N 3.22Å; R234-D237 VanDerWaalsContact O-N 3.08Å; R234-E376 IonicContact CZ-OE2 4Å; R234-E376 IonicContact NH2-OE2 3.53Å; R234-E376 PolarHBondContact NH2-OE2 3.38Å; R234-E377 HydrophobicContact CG-CG 4.31Å; R234-Y432 WeakPolarHBondContact CB-OH 3.4Å; R234-Y432 PolarHBondContact O-OH 3.04Å | ||
| 235 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.3 | -179.2 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | V80 Q114 L118 L121 Y226 V233 D237 Y432 | V80-V235 HydrophobicContact CB-CG1 4.3Å; V80-V235 HydrophobicContact CG1-CG1 3.94Å; V80-V235 HydrophobicContact CG2-CG1 4.14Å; Q114-V235 HydrophobicContact CB-CG2 3.99Å; Q114-V235 HydrophobicContact CG-CG2 3.89Å; L118-V235 HydrophobicContact CD1-CG1 4.36Å; L118-V235 HydrophobicContact CD2-CG1 3.66Å; L118-V235 HydrophobicContact CG-CG1 3.92Å; L121-V235 WeakPolarHBondContact CD1-O 3.17Å; Y226-V235 HydrophobicContact CE1-CG1 3.81Å; Y226-V235 HydrophobicContact CE1-CG2 4.38Å; Y226-V235 HydrophobicContact CE2-CG2 3.94Å; V233-V235 VanDerWaalsContact C-N 3.33Å; V233-V235 HydrophobicContact CG1-CG2 3.79Å; V233-V235 HydrophobicContact CG2-CG2 4.37Å; V233-V235 PolarHBondContact O-N 2.97Å; V235-D237 VanDerWaalsContact C-N 3.28Å; V235-D237 PolarHBondContact O-N 2.71Å; V235-Y432 WeakPolarHBondContact O-CE2 3.29Å; V235-Y432 PolarHBondContact O-OH 3.09Å |
| 236 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 36 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | V78 V80 L118 L121 I136 H224 R234 P238 I241 | V78-A236 HydrophobicContact CG1-CB 4.27Å; V80-A236 HydrophobicContact CG1-CB 3.6Å; L118-A236 HydrophobicContact CD2-CB 4.09Å; L121-A236 HydrophobicContact CD1-CB 3.69Å; I136-A236 HydrophobicContact CD1-CB 4.15Å; I136-A236 HydrophobicContact CG2-CB 4.44Å; H224-A236 WeakPolarHBondContact ND1-CA 3.4Å; H224-A236 PolarHBondContact ND1-N 3.04Å; R234-A236 PolarHBondContact O-N 2.63Å; A236-P238 WeakPolarHBondContact O-CD 3.18Å; A236-I241 WeakPolarHBondContact O-CD1 3.46Å |
| 237 | D | 98 | Very high | 96.4 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.016 | 7% | 0.072 | C | C | . | . | trans | -47.1 | 110.1 | -177.6 | -174.4 | -3.9 | 0 | 0 | 0 | 114 | R54 R234 V235 W239 F240 I241 K254 Y432 | R54-D237 IonicContact NH1-OD1 2.9Å; R54-D237 IonicContact NH1-OD2 2.94Å; R54-D237 PolarHBondContact NH1-OD2 2.86Å; R54-D237 VanDerWaalsContact NH1-OD2 3.1Å; R234-D237 HydrophobicContact CB-CB 3.87Å; R234-D237 WeakPolarHBondContact O-CB 3.34Å; R234-D237 PolarHBondContact O-N 3.22Å; R234-D237 VanDerWaalsContact O-N 3.08Å; V235-D237 VanDerWaalsContact C-N 3.28Å; V235-D237 PolarHBondContact O-N 2.71Å; D237-W239 VanDerWaalsContact C-N 3.27Å; D237-W239 PolarHBondContact O-N 3.42Å; D237-W239 WeakPolarHBondContact OD1-CB 3.44Å; D237-W239 PolarHBondContact OD1-N 3.25Å; D237-F240 HydrophobicContact CB-CB 3.9Å; D237-F240 PolarHBondContact O-N 3.32Å; D237-I241 WeakPolarHBondContact O-CD1 3.47Å; D237-I241 VanDerWaalsContact O-CG1 3.32Å; D237-I241 WeakPolarHBondContact O-CG1 3.31Å; D237-I241 PolarHBondContact O-N 3.05Å; D237-K254 IonicContact OD2-NZ 3.24Å; D237-K254 PolarHBondContact OD2-NZ 2.91Å; D237-Y432 VanDerWaalsContact CA-OH 3.27Å; D237-Y432 WeakPolarHBondContact CA-OH 3.49Å; D237-Y432 PolarHBondContact N-OH 2.82Å | ||
| 238 | P | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 7% | 0.065 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.3 | -39.9 | 178 | -22.9 | 32.3 | 0 | 0 | 0 | 112.4 | G69 M70 I73 L121 A236 F240 I241 G242 | G69-P238 WeakPolarHBondContact CA-O 3.46Å; M70-P238 HydrophobicContact CG-CB 3.88Å; M70-P238 HydrophobicContact CG-CG 4.16Å; M70-P238 HydrophobicContact SD-CB 3.9Å; M70-P238 HydrophobicContact SD-CG 3.51Å; M70-P238 VanDerWaalsContact SD-CG 3.51Å; I73-P238 HydrophobicContact CD1-CB 4.37Å; I73-P238 HydrophobicContact CD1-CG 3.82Å; L121-P238 HydrophobicContact CD2-CG 3.73Å; A236-P238 WeakPolarHBondContact O-CD 3.18Å; P238-F240 VanDerWaalsContact C-N 3.34Å; P238-F240 PolarHBondContact O-N 3.48Å; P238-I241 PolarHBondContact O-N 2.97Å; P238-G242 PolarHBondContact O-N 2.9Å |
| 239 | W | 95.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | -178.8 | -160.8 | 106.8 | 0 | 0 | 0 | 110.4 | R54 E57 N62 F65 D237 I241 G242 F243 L370 | R54-W239 HydrophobicContact CB-CH2 4.12Å; R54-W239 HydrophobicContact CB-CZ2 4.3Å; R54-W239 HydrophobicContact CG-CD2 4.27Å; R54-W239 HydrophobicContact CG-CE3 4.46Å; R54-W239 HydrophobicContact CG-CH2 4.01Å; R54-W239 HydrophobicContact CG-CZ2 3.75Å; R54-W239 HydrophobicContact CG-CZ3 4.38Å; R54-W239 VanDerWaalsContact NH2-CB 3.28Å; E57-W239 HydrophobicContact CG-CH2 4.45Å; E57-W239 HydrophobicContact CG-CZ2 4.49Å; N62-W239 VanDerWaalsContact OD1-CZ2 3.3Å; N62-W239 WeakPolarHBondContact OD1-CZ2 3.35Å; N62-W239 PolarHBondContact OD1-NE1 3.39Å; F65-W239 HydrophobicContact CB-CD2 4.09Å; F65-W239 HydrophobicContact CB-CG 4.21Å; F65-W239 HydrophobicContact CD2-CD2 4.06Å; F65-W239 AromaticContact CD2-CE2 3.7Å; F65-W239 HydrophobicContact CD2-CE3 4.09Å; F65-W239 AromaticContact CD2-CH2 3.48Å; F65-W239 HydrophobicContact CD2-CH2 3.48Å; F65-W239 VanDerWaalsContact CD2-CH2 3.48Å; F65-W239 AromaticContact CD2-CZ2 3.45Å; F65-W239 HydrophobicContact CD2-CZ2 3.45Å; F65-W239 VanDerWaalsContact CD2-CZ2 3.45Å; F65-W239 AromaticContact CD2-CZ3 3.77Å; F65-W239 HydrophobicContact CD2-CZ3 3.77Å; F65-W239 AromaticContact CE2-CH2 3.76Å; F65-W239 HydrophobicContact CE2-CH2 3.76Å; F65-W239 AromaticContact CE2-CZ2 3.97Å; F65-W239 HydrophobicContact CE2-CZ2 3.97Å; F65-W239 HydrophobicContact CE2-CZ3 4.27Å; D237-W239 VanDerWaalsContact C-N 3.27Å; D237-W239 PolarHBondContact O-N 3.42Å; D237-W239 WeakPolarHBondContact OD1-CB 3.44Å; D237-W239 PolarHBondContact OD1-N 3.25Å; W239-I241 PolarHBondContact O-N 3.25Å; W239-G242 PolarHBondContact O-N 3.31Å; W239-F243 HydrophobicContact CE3-CB 4.01Å; W239-F243 HydrophobicContact CZ3-CB 3.78Å; W239-F243 HydrophobicContact CZ3-CD2 4.31Å; W239-F243 HydrophobicContact CZ3-CG 4.15Å; W239-F243 WeakPolarHBondContact O-CB 3.14Å; W239-F243 PolarHBondContact O-N 2.89Å; W239-L370 HydrophobicContact CE3-CD1 4.29Å; W239-L370 HydrophobicContact CE3-CD2 3.66Å; W239-L370 HydrophobicContact CH2-CD1 3.84Å; W239-L370 HydrophobicContact CZ3-CD1 3.33Å; W239-L370 HydrophobicContact CZ3-CD2 3.52Å; W239-L370 HydrophobicContact CZ3-CG 4.06Å |
| 240 | F | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 177 | -174.8 | -147.4 | 0 | 0 | 0 | 112.3 | D237 P238 F243 C244 A252 K254 L308 L370 | D237-F240 HydrophobicContact CB-CB 3.9Å; D237-F240 PolarHBondContact O-N 3.32Å; P238-F240 VanDerWaalsContact C-N 3.34Å; P238-F240 PolarHBondContact O-N 3.48Å; F240-F243 HydrophobicContact CD2-CD1 4.16Å; F240-F243 HydrophobicContact CE2-CD1 4.38Å; F240-F243 PolarHBondContact O-N 3.36Å; F240-C244 PolarHBondContact O-N 3.42Å; F240-C244 PolarHBondContact O-SG 3.39Å; F240-A252 HydrophobicContact CE2-CB 3.76Å; F240-A252 HydrophobicContact CZ-CB 3.88Å; F240-K254 VanDerWaalsContact CB-CE 3.47Å; F240-K254 HydrophobicContact CD1-CD 4.3Å; F240-K254 VanDerWaalsContact CD1-CE 3.43Å; F240-K254 HydrophobicContact CD1-CG 4.15Å; F240-K254 HydrophobicContact CD2-CG 4.23Å; F240-K254 HydrophobicContact CE1-CG 3.98Å; F240-K254 HydrophobicContact CE2-CG 4.08Å; F240-K254 HydrophobicContact CG-CD 4.46Å; F240-K254 HydrophobicContact CG-CG 4.27Å; F240-K254 HydrophobicContact CZ-CG 3.96Å; F240-L308 HydrophobicContact CD1-CB 4.07Å; F240-L308 HydrophobicContact CD1-CD1 4.46Å; F240-L308 HydrophobicContact CE1-CB 3.49Å; F240-L308 VanDerWaalsContact CE1-CB 3.49Å; F240-L308 HydrophobicContact CE2-CB 4.42Å; F240-L308 HydrophobicContact CZ-CB 3.69Å; F240-L370 HydrophobicContact CB-CD2 4.23Å; F240-L370 HydrophobicContact CD2-CB 4.26Å; F240-L370 HydrophobicContact CD2-CD2 3.61Å; F240-L370 HydrophobicContact CE2-CB 4.21Å; F240-L370 HydrophobicContact CE2-CD2 4.37Å; F240-L370 HydrophobicContact CG-CD2 4.25Å |
| 241 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 175.4 | -64.7 | 158.1 | 0 | 0 | 0 | 110.4 | A72 I73 V78 Y222 A236 D237 P238 W239 C244 R245 L308 | A72-I241 HydrophobicContact CB-CG2 3.98Å; I73-I241 HydrophobicContact CD1-CD1 4.5Å; I73-I241 HydrophobicContact CG1-CD1 4.46Å; V78-I241 HydrophobicContact CB-CD1 4.47Å; V78-I241 HydrophobicContact CG1-CD1 3.67Å; V78-I241 HydrophobicContact CG2-CD1 3.94Å; V78-I241 HydrophobicContact CG2-CG2 4.37Å; Y222-I241 HydrophobicContact CD2-CG2 4.17Å; Y222-I241 HydrophobicContact CG-CG2 4.23Å; A236-I241 WeakPolarHBondContact O-CD1 3.46Å; D237-I241 WeakPolarHBondContact O-CD1 3.47Å; D237-I241 VanDerWaalsContact O-CG1 3.32Å; D237-I241 WeakPolarHBondContact O-CG1 3.31Å; D237-I241 PolarHBondContact O-N 3.05Å; P238-I241 PolarHBondContact O-N 2.97Å; W239-I241 PolarHBondContact O-N 3.25Å; I241-C244 PolarHBondContact O-N 2.8Å; I241-R245 HydrophobicContact CG2-CG 4.45Å; I241-R245 VanDerWaalsContact O-CG 3.28Å; I241-R245 WeakPolarHBondContact O-CG 3.33Å; I241-R245 PolarHBondContact O-N 2.99Å; I241-L308 HydrophobicContact CB-CD1 4.11Å; I241-L308 HydrophobicContact CG1-CD1 3.62Å |
| 242 | G | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F65 P238 W239 C244 R245 R246 | F65-G242 VanDerWaalsContact O-CA 3.3Å; F65-G242 WeakPolarHBondContact O-CA 3.22Å; P238-G242 PolarHBondContact O-N 2.9Å; W239-G242 PolarHBondContact O-N 3.31Å; G242-C244 PolarHBondContact O-N 3.24Å; G242-R245 WeakPolarHBondContact O-CB 3.31Å; G242-R245 PolarHBondContact O-N 2.97Å; G242-R246 WeakPolarHBondContact O-CB 3.33Å; G242-R246 PolarHBondContact O-N 2.96Å |
| 243 | F | 95 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.7 | -50.2 | 171.4 | 166.7 | -103.2 | 0 | 0 | 0 | 111.2 | C52 F65 W239 F240 R245 R246 M247 A368 L370 | C52-F243 HydrophobicContact CB-CD2 4.08Å; C52-F243 HydrophobicContact CB-CE2 3.35Å; C52-F243 HydrophobicContact CB-CZ 3.9Å; F65-F243 HydrophobicContact CD2-CB 4.1Å; F65-F243 HydrophobicContact CE2-CB 4.44Å; F65-F243 HydrophobicContact CE2-CD2 4.11Å; F65-F243 HydrophobicContact CG-CB 4.4Å; W239-F243 HydrophobicContact CE3-CB 4.01Å; W239-F243 HydrophobicContact CZ3-CB 3.78Å; W239-F243 HydrophobicContact CZ3-CD2 4.31Å; W239-F243 HydrophobicContact CZ3-CG 4.15Å; W239-F243 WeakPolarHBondContact O-CB 3.14Å; W239-F243 PolarHBondContact O-N 2.89Å; F240-F243 HydrophobicContact CD2-CD1 4.16Å; F240-F243 HydrophobicContact CE2-CD1 4.38Å; F240-F243 PolarHBondContact O-N 3.36Å; F243-R245 VanDerWaalsContact C-N 3.32Å; F243-R245 PolarHBondContact O-N 3.48Å; F243-R246 PolarHBondContact O-N 3.46Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE2-CE 4.26Å; F243-M247 HydrophobicContact CE2-CG 3.56Å; F243-M247 HydrophobicContact CZ-CG 3.9Å; F243-M247 WeakPolarHBondContact O-CB 3.43Å; F243-M247 WeakPolarHBondContact O-CG 3.39Å; F243-M247 PolarHBondContact O-N 3.44Å; F243-A368 HydrophobicContact CE1-CB 3.75Å; F243-A368 HydrophobicContact CZ-CB 3.93Å; F243-L370 HydrophobicContact CD1-CB 4.16Å; F243-L370 HydrophobicContact CD1-CD2 4.41Å; F243-L370 HydrophobicContact CE1-CB 3.96Å |
| 244 | C | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | F240 I241 G242 M247 D248 A249 A252 L308 | F240-C244 PolarHBondContact O-N 3.42Å; F240-C244 PolarHBondContact O-SG 3.39Å; I241-C244 PolarHBondContact O-N 2.8Å; G242-C244 PolarHBondContact O-N 3.24Å; C244-M247 PolarHBondContact O-N 3.43Å; C244-D248 PolarHBondContact O-N 2.95Å; C244-A249 HydrophobicContact CB-CB 4.26Å; C244-A249 PolarHBondContact O-N 2.92Å; C244-A252 WeakPolarHBondContact SG-CB 3.47Å; C244-L308 HydrophobicContact CB-CD1 4.01Å; C244-L308 HydrophobicContact CB-CD2 3.63Å; C244-L308 HydrophobicContact CB-CG 4.35Å |
| 245 | R | 95 | Very high | 96.4 | Very high | 65 Ų | 65 | 18.3 Ų | 18.3 | 25% | 0.245 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 174 | -72.5 | -175.5 | 71.2 | -154.8 | -8.1 | 111.6 | L68 Y222 I241 G242 F243 M247 D248 | L68-R245 PolarHBondContact O-NH1 3Å; Y222-R245 HydrophobicContact CE1-CG 3.77Å; Y222-R245 HydrophobicContact CE2-CG 3.89Å; Y222-R245 VanDerWaalsContact CZ-CG 3.42Å; Y222-R245 WeakPolarHBondContact OH-CG 3.29Å; I241-R245 HydrophobicContact CG2-CG 4.45Å; I241-R245 VanDerWaalsContact O-CG 3.28Å; I241-R245 WeakPolarHBondContact O-CG 3.33Å; I241-R245 PolarHBondContact O-N 2.99Å; G242-R245 WeakPolarHBondContact O-CB 3.31Å; G242-R245 PolarHBondContact O-N 2.97Å; F243-R245 VanDerWaalsContact C-N 3.32Å; F243-R245 PolarHBondContact O-N 3.48Å; R245-M247 VanDerWaalsContact C-N 3.32Å; R245-M247 PolarHBondContact O-N 3.05Å; R245-D248 PolarHBondContact O-N 2.64Å |
| 246 | R | 92 | Very high | 96.2 | Very high | 136 Ų | 136 | 18.3 Ų | 18.3 | 51% | 0.513 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 179.6 | -175.4 | 65.4 | 162.8 | 78.9 | 3.2 | 112.2 | E64 F65 L68 G242 F243 D248 | E64-R246 VanDerWaalsContact OE1-CD 3.23Å; E64-R246 WeakPolarHBondContact OE1-CD 3.38Å; E64-R246 IonicContact OE1-NE 2.69Å; E64-R246 PolarHBondContact OE1-NE 3.46Å; F65-R246 HydrophobicContact CD1-CB 4.16Å; F65-R246 HydrophobicContact CE1-CB 3.72Å; F65-R246 HydrophobicContact CE1-CG 3.7Å; F65-R246 HydrophobicContact CZ-CG 4.39Å; L68-R246 HydrophobicContact CD1-CB 4.45Å; G242-R246 WeakPolarHBondContact O-CB 3.33Å; G242-R246 PolarHBondContact O-N 2.96Å; F243-R246 PolarHBondContact O-N 3.46Å; R246-D248 PolarHBondContact O-N 3.28Å |
| 247 | M | 90.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 20.6 Ų | 20.6 | 22% | 0.222 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -80.3 | -6 | -179.9 | -65.9 | -42.1 | -126.8 | 0 | 0 | 113.6 | K50 F243 C244 R245 A249 | K50-M247 HydrophobicContact CB-CE 3.66Å; K50-M247 HydrophobicContact CB-CG 4.46Å; K50-M247 HydrophobicContact CD-CB 3.84Å; K50-M247 HydrophobicContact CD-CE 3.76Å; K50-M247 HydrophobicContact CD-CG 4.07Å; K50-M247 HydrophobicContact CD-SD 3.88Å; K50-M247 HydrophobicContact CG-CE 3.79Å; K50-M247 PolarHBondContact NZ-O 2.99Å; F243-M247 HydrophobicContact CD2-CG 3.96Å; F243-M247 HydrophobicContact CE2-CE 4.26Å; F243-M247 HydrophobicContact CE2-CG 3.56Å; F243-M247 HydrophobicContact CZ-CG 3.9Å; F243-M247 WeakPolarHBondContact O-CB 3.43Å; F243-M247 WeakPolarHBondContact O-CG 3.39Å; F243-M247 PolarHBondContact O-N 3.44Å; C244-M247 PolarHBondContact O-N 3.43Å; R245-M247 VanDerWaalsContact C-N 3.32Å; R245-M247 PolarHBondContact O-N 3.05Å; M247-A249 HydrophobicContact CB-CB 4.34Å; M247-A249 PolarHBondContact O-N 3.46Å |
| 248 | D | 94.9 | Very high | 95.6 | Very high | 96 Ų | 96 | 20.8 Ų | 20.8 | 51% | 0.513 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 41.6 | -171.6 | -168.9 | 31.9 | 0 | 0 | 0 | 110.7 | C244 R245 R246 K366 | C244-D248 PolarHBondContact O-N 2.95Å; R245-D248 PolarHBondContact O-N 2.64Å; R246-D248 PolarHBondContact O-N 3.28Å; D248-K366 HydrophobicContact CB-CD 4.39Å; D248-K366 VanDerWaalsContact O-CB 3.3Å; D248-K366 WeakPolarHBondContact O-CB 3.4Å; D248-K366 WeakPolarHBondContact O-CD 3.5Å; D248-K366 IonicContact OD2-NZ 3.19Å; D248-K366 PolarHBondContact OD2-NZ 3.46Å |
| 249 | A | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | trans | -80 | 125.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110 | C244 M247 A252 T310 K366 A368 | C244-A249 HydrophobicContact CB-CB 4.26Å; C244-A249 PolarHBondContact O-N 2.92Å; M247-A249 HydrophobicContact CB-CB 4.34Å; M247-A249 PolarHBondContact O-N 3.46Å; A249-A252 HydrophobicContact CB-CB 4.34Å; A249-T310 WeakPolarHBondContact O-CG2 3.4Å; A249-K366 WeakPolarHBondContact CA-O 3.3Å; A249-K366 WeakPolarHBondContact CB-O 3.45Å; A249-A368 HydrophobicContact CB-CB 3.79Å | ||
| 250 | D | 97.4 | Very high | 94.7 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -83.1 | -26.4 | 175.1 | 62.4 | 0.4 | 0 | 0 | 0 | 112 | T310 F313 S364 K365 K366 | D250-T310 PolarHBondContact O-N 3.36Å; D250-T310 PolarHBondContact O-OG1 2.95Å; D250-F313 HydrophobicContact CB-CB 4.22Å; D250-F313 HydrophobicContact CB-CD2 4.39Å; D250-F313 WeakPolarHBondContact O-CB 3.44Å; D250-S364 WeakPolarHBondContact OD1-CB 3.41Å; D250-S364 PolarHBondContact OD1-OG 3Å; D250-K365 WeakPolarHBondContact OD2-CB 3.45Å; D250-K365 PolarHBondContact OD2-N 3.42Å; D250-K366 PolarHBondContact N-O 3.34Å; D250-K366 PolarHBondContact OD1-N 2.92Å; D250-K366 VanDerWaalsContact OD1-N 3.12Å; D250-K366 PolarHBondContact OD2-N 3.27Å |
| 251 | C | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.9 | 175.4 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | L308 F309 F313 F367 A368 | C251-L308 CarbonylContact C-O 3.52Å; C251-L308 WeakPolarHBondContact CA-O 3.29Å; C251-F309 HydrophobicContact CB-CD1 4.06Å; C251-F309 HydrophobicContact CB-CE1 4.34Å; C251-F309 WeakPolarHBondContact SG-CE1 3.47Å; C251-F313 HydrophobicContact CB-CD1 4.31Å; C251-F313 HydrophobicContact CB-CE1 4.05Å; C251-F313 HydrophobicContact CB-CE2 4.39Å; C251-F313 HydrophobicContact CB-CZ 4.09Å; C251-F367 HydrophobicContact CB-CD2 4.12Å; C251-F367 VanDerWaalsContact O-CA 3.32Å; C251-F367 WeakPolarHBondContact O-CA 3.29Å; C251-A368 PolarHBondContact O-N 2.83Å; C251-A368 VanDerWaalsContact O-N 3.11Å |
| 252 | A | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F240 C244 A249 H307 L308 A368 | F240-A252 HydrophobicContact CE2-CB 3.76Å; F240-A252 HydrophobicContact CZ-CB 3.88Å; C244-A252 WeakPolarHBondContact SG-CB 3.47Å; A249-A252 HydrophobicContact CB-CB 4.34Å; A252-H307 CarbonylContact O-C 3.41Å; A252-H307 WeakPolarHBondContact O-CA 3.29Å; A252-L308 PolarHBondContact N-O 3.09Å; A252-L308 PolarHBondContact O-N 2.79Å; A252-A368 WeakPolarHBondContact CA-O 3.05Å; A252-A368 HydrophobicContact CB-CB 4.08Å |
| 253 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.9 | 178.8 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | I268 N303 N306 F361 F367 A368 V369 L370 | V253-I268 HydrophobicContact CB-CD1 4.46Å; V253-I268 HydrophobicContact CG1-CD1 3.56Å; V253-I268 HydrophobicContact CG1-CG1 4.17Å; V253-I268 HydrophobicContact CG2-CD1 4.02Å; V253-N303 VanDerWaalsContact CG2-OD1 3.32Å; V253-N303 WeakPolarHBondContact CG2-OD1 3.44Å; V253-N306 CarbonylContact C-O 3.49Å; V253-N306 WeakPolarHBondContact CA-O 3.41Å; V253-F361 HydrophobicContact CB-CE2 4.36Å; V253-F361 HydrophobicContact CB-CZ 3.94Å; V253-F361 HydrophobicContact CG1-CE2 4.31Å; V253-F361 HydrophobicContact CG1-CZ 4.37Å; V253-F361 HydrophobicContact CG2-CE2 4.47Å; V253-F361 HydrophobicContact CG2-CZ 4.04Å; V253-F367 HydrophobicContact CB-CZ 4.29Å; V253-F367 HydrophobicContact CG1-CE1 4.13Å; V253-F367 HydrophobicContact CG1-CE2 4.28Å; V253-F367 HydrophobicContact CG1-CZ 3.48Å; V253-F367 VanDerWaalsContact CG1-CZ 3.48Å; V253-A368 PolarHBondContact N-O 3.14Å; V253-V369 HydrophobicContact CG1-CB 4.47Å; V253-V369 HydrophobicContact CG1-CG1 4.43Å; V253-V369 HydrophobicContact CG1-CG2 3.89Å; V253-V369 WeakPolarHBondContact O-CA 3.47Å; V253-L370 PolarHBondContact O-N 3.3Å |
| 254 | K | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138 | 165.7 | -63.6 | -174.2 | 174.4 | -176.6 | 0 | 110.4 | D237 F240 I304 N306 L370 V372 E377 | D237-K254 IonicContact OD2-NZ 3.24Å; D237-K254 PolarHBondContact OD2-NZ 2.91Å; F240-K254 VanDerWaalsContact CB-CE 3.47Å; F240-K254 HydrophobicContact CD1-CD 4.3Å; F240-K254 VanDerWaalsContact CD1-CE 3.43Å; F240-K254 HydrophobicContact CD1-CG 4.15Å; F240-K254 HydrophobicContact CD2-CG 4.23Å; F240-K254 HydrophobicContact CE1-CG 3.98Å; F240-K254 HydrophobicContact CE2-CG 4.08Å; F240-K254 HydrophobicContact CG-CD 4.46Å; F240-K254 HydrophobicContact CG-CG 4.27Å; F240-K254 HydrophobicContact CZ-CG 3.96Å; K254-I304 HydrophobicContact CB-CD1 3.92Å; K254-I304 HydrophobicContact CB-CG1 4.05Å; K254-I304 WeakPolarHBondContact O-CG1 3.19Å; K254-N306 HydrophobicContact CB-CB 4.16Å; K254-N306 HydrophobicContact CD-CB 4.32Å; K254-N306 WeakPolarHBondContact CD-OD1 3.33Å; K254-N306 HydrophobicContact CG-CB 4.43Å; K254-N306 PolarHBondContact N-O 3.47Å; K254-L370 CarbonylContact C-O 3.51Å; K254-L370 VanDerWaalsContact CA-O 3.23Å; K254-L370 WeakPolarHBondContact CA-O 3.41Å; K254-V372 HydrophobicContact CB-CG1 4.44Å; K254-V372 HydrophobicContact CB-CG2 4.37Å; K254-V372 HydrophobicContact CD-CG1 3.97Å; K254-V372 HydrophobicContact CD-CG2 4.47Å; K254-V372 HydrophobicContact CG-CG1 4.23Å; K254-E377 IonicContact NZ-OE1 3.69Å; K254-E377 IonicContact NZ-OE2 3.04Å; K254-E377 PolarHBondContact NZ-OE2 3.01Å |
| 255 | S | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 158.5 | 173.5 | 64 | 0 | 0 | 0 | 0 | 111.3 | Q301 G302 V369 L370 E371 V372 | S255-Q301 VanDerWaalsContact CB-OE1 3.25Å; S255-Q301 PolarHBondContact OG-OE1 3.22Å; S255-G302 WeakPolarHBondContact CA-O 3.32Å; S255-G302 WeakPolarHBondContact CB-O 3.33Å; S255-V369 WeakPolarHBondContact OG-CG1 3.32Å; S255-L370 PolarHBondContact N-O 3.44Å; S255-E371 WeakPolarHBondContact O-CA 3.35Å; S255-E371 VanDerWaalsContact OG-CA 3.3Å; S255-E371 WeakPolarHBondContact OG-CA 3.25Å; S255-V372 WeakPolarHBondContact O-CG2 3.45Å; S255-V372 PolarHBondContact O-N 2.8Å |
| 256 | V | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 150.4 | 166.4 | -64.6 | 0 | 0 | 0 | 0 | 109.2 | R258 I265 G302 I304 V372 R374 F378 | V256-R258 PolarHBondContact O-N 3.19Å; V256-I265 HydrophobicContact CG2-CD1 4.22Å; V256-G302 PolarHBondContact N-O 3.49Å; V256-G302 PolarHBondContact O-N 2.94Å; V256-I304 HydrophobicContact CB-CG2 4.2Å; V256-I304 HydrophobicContact CG1-CD1 4.29Å; V256-I304 HydrophobicContact CG1-CG2 3.78Å; V256-I304 HydrophobicContact CG2-CG2 3.48Å; V256-I304 VanDerWaalsContact CG2-CG2 3.48Å; V256-V372 HydrophobicContact CG1-CG2 4Å; V256-R374 HydrophobicContact CB-CB 4.29Å; V256-R374 HydrophobicContact CG1-CB 4.2Å; V256-F378 HydrophobicContact CG1-CB 3.86Å; V256-F378 HydrophobicContact CG1-CD1 4.43Å; V256-F378 HydrophobicContact CG1-CG 4.37Å; V256-F378 HydrophobicContact CG2-CD1 3.93Å; V256-F378 HydrophobicContact CG2-CE1 4.35Å |
| 257 | E | 92.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 128.4 | 170.7 | -172.3 | 166.2 | -161.7 | 0 | 0 | 109.5 | R296 S300 R374 | E257-R296 IonicContact OE1-CZ 3.84Å; E257-R296 IonicContact OE1-NE 3.49Å; E257-R296 PolarHBondContact OE1-NE 3.47Å; E257-R296 IonicContact OE1-NH2 2.78Å; E257-R296 PolarHBondContact OE1-NH2 3.19Å; E257-R296 IonicContact OE2-CZ 3.06Å; E257-R296 IonicContact OE2-NH2 3.63Å; E257-R296 PolarHBondContact OE2-NH2 2.86Å; E257-S300 WeakPolarHBondContact CA-O 3.37Å; E257-R374 PolarHBondContact O-NE 3.06Å; E257-R374 PolarHBondContact O-NH2 3.42Å |
| 258 | R | 90.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | trans | -76.7 | 122.6 | 171.7 | -68.1 | 174.7 | 66.2 | -146 | 7.4 | 109.2 | V256 N260 P261 E263 I265 L297 L299 S300 | V256-R258 PolarHBondContact O-N 3.19Å; R258-N260 PolarHBondContact NH2-O 2.62Å; R258-P261 PolarHBondContact NH2-O 2.86Å; R258-E263 PolarHBondContact NH2-O 3.35Å; R258-I265 HydrophobicContact CG-CG2 3.71Å; R258-L297 HydrophobicContact CB-CD1 4.35Å; R258-L299 WeakPolarHBondContact CD-O 3.18Å; R258-L299 PolarHBondContact NH1-O 3.28Å; R258-S300 WeakPolarHBondContact CG-O 3.32Å; R258-S300 PolarHBondContact N-O 3.1Å | ||
| 259 | H | 84.9 | Confident | 92.7 | Very high | 136 Ų | 136 | 28.1 Ų | 28.1 | 63% | 0.63 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -87.8 | -20.1 | 175.8 | -57.5 | -66 | 0 | 0 | 0 | 112.2 | R374 | H259-R374 PolarHBondContact CD2-NE 3.04Å; H259-R374 PolarHBondContact NE2-NE 2.87Å |
| 260 | N | 89.5 | Confident | 92.1 | Very high | 80 Ų | 80 | 29 Ų | 29 | 43% | 0.428 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -123.7 | 124.3 | 179.9 | -176.5 | -15.3 | 0 | 0 | 0 | 110.2 | R258 F262 E263 | R258-N260 PolarHBondContact NH2-O 2.62Å; N260-F262 PolarHBondContact O-N 3.1Å; N260-F262 PolarHBondContact OD1-N 3.03Å; N260-E263 HydrophobicContact CB-CB 4.23Å; N260-E263 VanDerWaalsContact O-CB 3.29Å; N260-E263 WeakPolarHBondContact O-CB 3.41Å; N260-E263 PolarHBondContact O-N 3.32Å |
| 261 | P | 88.2 | Confident | 91.1 | Very high | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -26.3 | 171 | -31.9 | 37.7 | 0 | 0 | 0 | 115.2 | R258 A288 Q289 L297 | R258-P261 PolarHBondContact NH2-O 2.86Å; P261-A288 HydrophobicContact CB-CB 4.44Å; P261-A288 WeakPolarHBondContact CB-O 3.26Å; P261-A288 WeakPolarHBondContact O-CB 3.36Å; P261-Q289 HydrophobicContact CB-CG 3.81Å; P261-Q289 HydrophobicContact CG-CG 4.13Å; P261-L297 HydrophobicContact CG-CD1 4.07Å; P261-L297 HydrophobicContact CG-CD2 3.8Å |
| 262 | F | 91.2 | Very high | 90.3 | Very high | 102 Ų | 102 | 39.7 Ų | 39.7 | 45% | 0.447 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 13.5 | -176.9 | -49.9 | -62.8 | 0 | 0 | 0 | 112.8 | N260 Q285 A288 Q289 | N260-F262 PolarHBondContact O-N 3.1Å; N260-F262 PolarHBondContact OD1-N 3.03Å; F262-Q285 HydrophobicContact CE1-CB 4.05Å; F262-Q285 HydrophobicContact CE1-CG 3.95Å; F262-A288 HydrophobicContact CE1-CB 4.48Å; F262-Q289 HydrophobicContact CE1-CG 4.21Å; F262-Q289 HydrophobicContact CE2-CG 4.27Å; F262-Q289 HydrophobicContact CZ-CG 3.65Å |
| 263 | E | 91.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 13% | 0.131 | 22% | 0.223 | C | C | . | . | trans | -56.6 | 128.3 | 169.6 | -171.6 | 178 | 178.1 | 0 | 0 | 109.2 | R258 N260 I265 R374 | R258-E263 PolarHBondContact NH2-O 3.35Å; N260-E263 HydrophobicContact CB-CB 4.23Å; N260-E263 VanDerWaalsContact O-CB 3.29Å; N260-E263 WeakPolarHBondContact O-CB 3.41Å; N260-E263 PolarHBondContact O-N 3.32Å; E263-I265 HydrophobicContact CB-CG2 4.05Å; E263-I265 HydrophobicContact CG-CB 4.29Å; E263-I265 HydrophobicContact CG-CG2 3.78Å; E263-I265 PolarHBondContact O-N 3.16Å; E263-R374 VanDerWaalsContact CD-NH2 3.32Å; E263-R374 IonicContact OE1-CZ 2.71Å; E263-R374 VanDerWaalsContact OE1-CZ 3.24Å; E263-R374 IonicContact OE1-NH1 2.63Å; E263-R374 PolarHBondContact OE1-NH1 2.9Å; E263-R374 IonicContact OE1-NH2 2.68Å; E263-R374 PolarHBondContact OE1-NH2 3.07Å; E263-R374 IonicContact OE2-CZ 2.69Å; E263-R374 IonicContact OE2-NH2 3.38Å; E263-R374 PolarHBondContact OE2-NH2 3.13Å | ||
| 264 | P | 90.6 | Very high | 89 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -78 | 61.5 | -175.3 | 34 | -37.2 | 0 | 0 | 0 | 111.5 | Y280 | P264-Y280 VanDerWaalsContact C-CD1 3.41Å; P264-Y280 HydrophobicContact CB-CD1 4.12Å; P264-Y280 HydrophobicContact CB-CD2 4.11Å; P264-Y280 HydrophobicContact CB-CE1 3.95Å; P264-Y280 HydrophobicContact CB-CE2 3.95Å; P264-Y280 HydrophobicContact CB-CG 4.2Å |
| 265 | I | 91.6 | Very high | 88.7 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | trans | -129.4 | 133.2 | -178.3 | -168.5 | 168 | 0 | 0 | 0 | 109 | V256 R258 E263 N303 I304 F378 | V256-I265 HydrophobicContact CG2-CD1 4.22Å; R258-I265 HydrophobicContact CG-CG2 3.71Å; E263-I265 HydrophobicContact CB-CG2 4.05Å; E263-I265 HydrophobicContact CG-CB 4.29Å; E263-I265 HydrophobicContact CG-CG2 3.78Å; E263-I265 PolarHBondContact O-N 3.16Å; I265-N303 VanDerWaalsContact CG1-O 3.31Å; I265-N303 WeakPolarHBondContact CG1-O 3.41Å; I265-I304 HydrophobicContact CD1-CG2 4Å; I265-F378 HydrophobicContact CD1-CE1 4.02Å; I265-F378 HydrophobicContact CD1-CZ 4.11Å | ||
| 266 | G | 92.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -61.6 | 146.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V278 N303 | G266-V278 CarbonylContact C-O 3.53Å; G266-V278 WeakPolarHBondContact CA-O 3.12Å; G266-N303 WeakPolarHBondContact O-CB 3.31Å; G266-N303 PolarHBondContact O-N 3.05Å | ||
| 267 | V | 91.5 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.9 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 110 | C269 V277 V278 I283 L299 Q301 | V267-C269 PolarHBondContact O-N 3.1Å; V267-V277 VanDerWaalsContact O-CA 3.28Å; V267-V277 WeakPolarHBondContact O-CA 3.35Å; V267-V278 PolarHBondContact N-O 3.44Å; V267-V278 PolarHBondContact O-N 3.32Å; V267-I283 HydrophobicContact CB-CD1 4.11Å; V267-I283 HydrophobicContact CG2-CD1 3.6Å; V267-L299 HydrophobicContact CG1-CB 3.85Å; V267-L299 HydrophobicContact CG1-CD2 4.08Å; V267-L299 HydrophobicContact CG1-CG 4.44Å; V267-L299 HydrophobicContact CG2-CB 4.31Å; V267-Q301 WeakPolarHBondContact CA-O 3.42Å |
| 268 | I | 92 | Very high | 88.2 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 124.1 | 172.3 | -59.7 | 152.3 | 0 | 0 | 0 | 108.4 | V253 V277 Q301 N303 F367 V369 | V253-I268 HydrophobicContact CB-CD1 4.46Å; V253-I268 HydrophobicContact CG1-CD1 3.56Å; V253-I268 HydrophobicContact CG1-CG1 4.17Å; V253-I268 HydrophobicContact CG2-CD1 4.02Å; I268-V277 HydrophobicContact CG1-CG2 4.11Å; I268-Q301 HydrophobicContact CB-CB 4.22Å; I268-Q301 PolarHBondContact N-O 3.33Å; I268-N303 HydrophobicContact CD1-CB 4.25Å; I268-N303 HydrophobicContact CG1-CB 3.94Å; I268-F367 HydrophobicContact CG2-CE1 4.25Å; I268-V369 HydrophobicContact CD1-CG1 4.27Å; I268-V369 HydrophobicContact CG2-CG2 3.87Å |
| 269 | C | 85.9 | Confident | 88.1 | Confident | 22 Ų | 22 | 50 Ų | 50 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | -170 | -179 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | V267 A276 V278 | V267-C269 PolarHBondContact O-N 3.1Å; C269-A276 PolarHBondContact N-O 3.45Å; C269-A276 PolarHBondContact O-N 3.21Å; C269-A276 VanDerWaalsContact O-O 3.13Å; C269-V278 WeakPolarHBondContact SG-CG2 3.36Å |
| 270 | Q | 82.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.6 | 163.7 | -64 | -159 | 15.6 | 0 | 0 | 110.4 | V46 P47 K274 | V46-Q270 HydrophobicContact CB-CG 4.46Å; V46-Q270 HydrophobicContact CG1-CG 4.22Å; V46-Q270 HydrophobicContact CG2-CG 4.45Å; P47-Q270 VanDerWaalsContact CD-CD 3.41Å; P47-Q270 PolarHBondContact O-NE2 3.18Å; Q270-K274 CarbonylContact C-O 3.55Å; Q270-K274 VanDerWaalsContact CA-O 3.26Å; Q270-K274 WeakPolarHBondContact CA-O 3.37Å |
| 271 | K | 77.9 | Confident | 87.8 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 55% | 0.548 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.3 | 175.3 | -175.2 | 177 | -179.9 | 177.6 | 0 | 107.2 | G273 K274 A276 | K271-G273 PolarHBondContact O-N 3.48Å; K271-K274 PolarHBondContact N-O 3.03Å; K271-K274 PolarHBondContact O-N 2.95Å; K271-A276 HydrophobicContact CB-CB 3.87Å |
| 272 | D | 80.1 | Confident | 87.5 | Confident | 120 Ų | 120 | 53.5 Ų | 53.5 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 38.7 | -178.6 | -56.6 | -51.2 | 0 | 0 | 0 | 113.3 | A43 K274 | A43-D272 PolarHBondContact O-N 3.26Å; A43-D272 VanDerWaalsContact O-N 3.16Å; D272-K274 PolarHBondContact O-N 2.89Å |
| 273 | G | 79.4 | Confident | 87 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | K271 | K271-G273 PolarHBondContact O-N 3.48Š|
| 274 | K | 88.3 | Confident | 86.7 | Confident | 115 Ų | 115 | 51.5 Ų | 51.5 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 145.7 | 175.3 | -64.9 | -169.8 | 179.7 | -172.7 | 0 | 110.8 | Q270 K271 D272 A276 P362 | Q270-K274 CarbonylContact C-O 3.55Å; Q270-K274 VanDerWaalsContact CA-O 3.26Å; Q270-K274 WeakPolarHBondContact CA-O 3.37Å; K271-K274 PolarHBondContact N-O 3.03Å; K271-K274 PolarHBondContact O-N 2.95Å; D272-K274 PolarHBondContact O-N 2.89Å; K274-A276 PolarHBondContact O-N 2.91Å; K274-P362 HydrophobicContact CB-CB 4.1Å; K274-P362 HydrophobicContact CD-CB 3.77Å |
| 275 | P | 92 | Very high | 86.6 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 136.3 | 175 | 29.1 | -35.5 | 0 | 0 | 0 | 110.2 | F361 P362 F367 | P275-F361 HydrophobicContact CB-CB 4.19Å; P275-F361 HydrophobicContact CG-CB 4.15Å; P275-F361 WeakPolarHBondContact CG-O 3.09Å; P275-F361 WeakPolarHBondContact O-CB 3.48Å; P275-P362 WeakPolarHBondContact O-CD 3.47Å; P275-P362 WeakPolarHBondContact O-CG 3.24Å; P275-F367 HydrophobicContact CB-CB 4.21Å; P275-F367 HydrophobicContact CB-CD1 3.37Å; P275-F367 HydrophobicContact CB-CD2 4.22Å; P275-F367 HydrophobicContact CB-CE1 3.64Å; P275-F367 HydrophobicContact CB-CE2 4.45Å; P275-F367 HydrophobicContact CB-CG 3.67Å; P275-F367 HydrophobicContact CB-CZ 4.18Å; P275-F367 HydrophobicContact CG-CB 3.83Å; P275-F367 HydrophobicContact CG-CD1 3.97Å; P275-F367 HydrophobicContact CG-CD2 4.19Å; P275-F367 HydrophobicContact CG-CG 3.74Å |
| 276 | A | 91.8 | Very high | 86.3 | Confident | 13 Ų | 13 | 59 Ų | 59 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 169.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C269 K271 K274 | C269-A276 PolarHBondContact N-O 3.45Å; C269-A276 PolarHBondContact O-N 3.21Å; C269-A276 VanDerWaalsContact O-O 3.13Å; K271-A276 HydrophobicContact CB-CB 3.87Å; K274-A276 PolarHBondContact O-N 2.91Å |
| 277 | V | 92 | Very high | 86 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.2 | 164.2 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | V267 I268 N303 F358 F361 | V267-V277 VanDerWaalsContact O-CA 3.28Å; V267-V277 WeakPolarHBondContact O-CA 3.35Å; I268-V277 HydrophobicContact CG1-CG2 4.11Å; V277-N303 HydrophobicContact CG1-CB 4.15Å; V277-N303 HydrophobicContact CG2-CB 4.22Å; V277-F358 HydrophobicContact CB-CB 4.22Å; V277-F358 HydrophobicContact CB-CD1 4.16Å; V277-F358 HydrophobicContact CB-CD2 3.55Å; V277-F358 HydrophobicContact CB-CE1 4.37Å; V277-F358 HydrophobicContact CB-CE2 3.81Å; V277-F358 HydrophobicContact CB-CG 3.72Å; V277-F358 HydrophobicContact CB-CZ 4.2Å; V277-F358 HydrophobicContact CG1-CD1 4.24Å; V277-F358 HydrophobicContact CG1-CD2 4.3Å; V277-F358 HydrophobicContact CG1-CE1 4.11Å; V277-F358 HydrophobicContact CG1-CE2 4.19Å; V277-F358 HydrophobicContact CG1-CG 4.3Å; V277-F358 HydrophobicContact CG1-CZ 4.07Å; V277-F358 HydrophobicContact CG2-CB 3.7Å; V277-F358 HydrophobicContact CG2-CD1 4.25Å; V277-F358 HydrophobicContact CG2-CD2 4.03Å; V277-F358 HydrophobicContact CG2-CG 3.74Å; V277-F361 HydrophobicContact CG2-CD2 3.99Å; V277-F361 HydrophobicContact CG2-CE2 3.53Å |
| 278 | V | 88.1 | Confident | 85.6 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 107.1 | G266 V267 C269 E282 I283 | G266-V278 CarbonylContact C-O 3.53Å; G266-V278 WeakPolarHBondContact CA-O 3.12Å; V267-V278 PolarHBondContact N-O 3.44Å; V267-V278 PolarHBondContact O-N 3.32Å; C269-V278 WeakPolarHBondContact SG-CG2 3.36Å; V278-E282 HydrophobicContact CG1-CB 3.82Å; V278-I283 HydrophobicContact CB-CG1 4.41Å; V278-I283 HydrophobicContact CG1-CD1 4.29Å; V278-I283 HydrophobicContact CG1-CG1 3.6Å |
| 279 | E | 87.8 | Confident | 85.6 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 16% | 0.164 | 34% | 0.344 | C | S | . | . | trans | -67.8 | 147.6 | 179.8 | -80 | -62.1 | 125 | 0 | 0 | 110.7 | S281 E282 F356 F358 | E279-S281 PolarHBondContact O-N 3.43Å; E279-E282 HydrophobicContact CB-CG 4.25Å; E279-E282 WeakPolarHBondContact O-CB 3.38Å; E279-E282 PolarHBondContact O-N 2.95Å; E279-F356 HydrophobicContact CG-CD2 4.5Å; E279-F356 HydrophobicContact CG-CE2 4.03Å; E279-F358 HydrophobicContact CG-CZ 4.05Å; E279-F358 VanDerWaalsContact OE1-CE1 3.31Å; E279-F358 WeakPolarHBondContact OE1-CE1 3.23Å; E279-F358 WeakPolarHBondContact OE1-CZ 3.34Å | ||
| 280 | Y | 85.4 | Confident | 85.6 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.3 | -29.1 | -176.3 | 66.9 | -87.9 | 0 | 0 | 0 | 113.1 | P264 E282 I283 | P264-Y280 VanDerWaalsContact C-CD1 3.41Å; P264-Y280 HydrophobicContact CB-CD1 4.12Å; P264-Y280 HydrophobicContact CB-CD2 4.11Å; P264-Y280 HydrophobicContact CB-CE1 3.95Å; P264-Y280 HydrophobicContact CB-CE2 3.95Å; P264-Y280 HydrophobicContact CB-CG 4.2Å; Y280-E282 PolarHBondContact O-N 3.27Å; Y280-I283 PolarHBondContact O-N 3.41Å |
| 281 | S | 83.4 | Confident | 85.8 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 64% | 0.636 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -71.7 | -15 | 176.6 | 51.2 | 0 | 0 | 0 | 0 | 114 | E279 | E279-S281 PolarHBondContact O-N 3.43Š|
| 282 | E | 81.2 | Confident | 85.9 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 53% | 0.528 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -98.6 | -8.2 | -179.5 | -56.5 | 178.4 | 163.5 | 0 | 0 | 112.2 | V278 E279 Y280 | V278-E282 HydrophobicContact CG1-CB 3.82Å; E279-E282 HydrophobicContact CB-CG 4.25Å; E279-E282 WeakPolarHBondContact O-CB 3.38Å; E279-E282 PolarHBondContact O-N 2.95Å; Y280-E282 PolarHBondContact O-N 3.27Å |
| 283 | I | 81.8 | Confident | 86 | Confident | 22 Ų | 22 | 67.2 Ų | 67.2 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -93.2 | 125.7 | -178.8 | -53 | 173.2 | 0 | 0 | 0 | 108.9 | V267 V278 Y280 L287 A288 L299 | V267-I283 HydrophobicContact CB-CD1 4.11Å; V267-I283 HydrophobicContact CG2-CD1 3.6Å; V278-I283 HydrophobicContact CB-CG1 4.41Å; V278-I283 HydrophobicContact CG1-CD1 4.29Å; V278-I283 HydrophobicContact CG1-CG1 3.6Å; Y280-I283 PolarHBondContact O-N 3.41Å; I283-L287 HydrophobicContact CG2-CB 4.09Å; I283-L287 HydrophobicContact CG2-CD2 4.12Å; I283-L287 HydrophobicContact CG2-CG 4.02Å; I283-A288 HydrophobicContact CG2-CB 3.81Å; I283-L299 HydrophobicContact CD1-CD1 4.08Å; I283-L299 HydrophobicContact CG1-CD1 4.49Å; I283-L299 HydrophobicContact CG2-CD1 3.76Å |
| 284 | S | 85 | Confident | 86.1 | Confident | 66 Ų | 66 | 71.3 Ų | 71.3 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | trans | -65.2 | 149.5 | 174.1 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | Q286 L287 A288 | S284-Q286 PolarHBondContact O-N 3.43Å; S284-L287 PolarHBondContact O-N 3.36Å; S284-L287 VanDerWaalsContact O-N 3.13Å; S284-L287 VanDerWaalsContact OG-CB 3.28Å; S284-L287 WeakPolarHBondContact OG-CB 3.39Å; S284-L287 PolarHBondContact OG-N 3.02Å; S284-A288 WeakPolarHBondContact O-CB 3.24Å; S284-A288 PolarHBondContact O-N 2.78Å | ||
| 285 | Q | 88.2 | Confident | 85.9 | Confident | 145 Ų | 145 | 67.7 Ų | 67.7 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55.5 | -42.4 | 179.2 | -69.2 | -175.7 | -15.4 | 0 | 0 | 112.2 | F262 A288 Q289 | F262-Q285 HydrophobicContact CE1-CB 4.05Å; F262-Q285 HydrophobicContact CE1-CG 3.95Å; Q285-A288 PolarHBondContact O-N 2.82Å; Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.5Å; Q285-Q289 VanDerWaalsContact O-N 3.16Å; Q285-Q289 PolarHBondContact O-OE1 3.47Å |
| 286 | Q | 86.5 | Confident | 85.5 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 177 | -175.1 | -179.7 | 6.4 | 0 | 0 | 111.1 | S284 A288 Q289 Q290 | S284-Q286 PolarHBondContact O-N 3.43Å; Q286-A288 VanDerWaalsContact C-N 3.32Å; Q286-A288 PolarHBondContact O-N 2.79Å; Q286-Q289 PolarHBondContact O-N 2.92Å; Q286-Q290 WeakPolarHBondContact O-CG 3.26Å; Q286-Q290 PolarHBondContact O-N 3.39Å |
| 287 | L | 84.5 | Confident | 85.2 | Confident | 57 Ų | 57 | 71.2 Ų | 71.2 | 30% | 0.298 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | -179.8 | 179.5 | 59 | 0 | 0 | 0 | 111.8 | I283 S284 Q289 Q290 L299 | I283-L287 HydrophobicContact CG2-CB 4.09Å; I283-L287 HydrophobicContact CG2-CD2 4.12Å; I283-L287 HydrophobicContact CG2-CG 4.02Å; S284-L287 PolarHBondContact O-N 3.36Å; S284-L287 VanDerWaalsContact O-N 3.13Å; S284-L287 VanDerWaalsContact OG-CB 3.28Å; S284-L287 WeakPolarHBondContact OG-CB 3.39Å; S284-L287 PolarHBondContact OG-N 3.02Å; L287-Q289 VanDerWaalsContact C-N 3.25Å; L287-Q289 PolarHBondContact O-N 3.28Å; L287-Q290 VanDerWaalsContact CD1-OE1 3.23Å; L287-Q290 PolarHBondContact O-N 3.3Å; L287-L299 HydrophobicContact CD1-CD1 4.22Å; L287-L299 HydrophobicContact CD2-CD1 4.05Å; L287-L299 HydrophobicContact CG-CD1 3.7Å |
| 288 | A | 84.8 | Confident | 84.7 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -31.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | P261 F262 I283 S284 Q285 Q286 | P261-A288 HydrophobicContact CB-CB 4.44Å; P261-A288 WeakPolarHBondContact CB-O 3.26Å; P261-A288 WeakPolarHBondContact O-CB 3.36Å; F262-A288 HydrophobicContact CE1-CB 4.48Å; I283-A288 HydrophobicContact CG2-CB 3.81Å; S284-A288 WeakPolarHBondContact O-CB 3.24Å; S284-A288 PolarHBondContact O-N 2.78Å; Q285-A288 PolarHBondContact O-N 2.82Å; Q286-A288 VanDerWaalsContact C-N 3.32Å; Q286-A288 PolarHBondContact O-N 2.79Å |
| 289 | Q | 90.2 | Very high | 84.6 | Confident | 101 Ų | 101 | 72.5 Ų | 72.5 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -91.6 | -10.1 | -178.8 | -67.5 | 177.1 | -61.8 | 0 | 0 | 114.1 | P261 F262 Q285 Q286 L287 K291 | P261-Q289 HydrophobicContact CB-CG 3.81Å; P261-Q289 HydrophobicContact CG-CG 4.13Å; F262-Q289 HydrophobicContact CE1-CG 4.21Å; F262-Q289 HydrophobicContact CE2-CG 4.27Å; F262-Q289 HydrophobicContact CZ-CG 3.65Å; Q285-Q289 WeakPolarHBondContact O-CG 3.42Å; Q285-Q289 PolarHBondContact O-N 3.5Å; Q285-Q289 VanDerWaalsContact O-N 3.16Å; Q285-Q289 PolarHBondContact O-OE1 3.47Å; Q286-Q289 PolarHBondContact O-N 2.92Å; L287-Q289 VanDerWaalsContact C-N 3.25Å; L287-Q289 PolarHBondContact O-N 3.28Å; Q289-K291 PolarHBondContact O-N 3.24Å |
| 290 | Q | 87.1 | Confident | 84.5 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 17% | 0.168 | 38% | 0.379 | C | S | . | . | trans | -59.3 | 138.8 | -179.7 | -80.3 | 179.8 | -12.8 | 0 | 0 | 111.3 | Q286 L287 L297 L298 | Q286-Q290 WeakPolarHBondContact O-CG 3.26Å; Q286-Q290 PolarHBondContact O-N 3.39Å; L287-Q290 VanDerWaalsContact CD1-OE1 3.23Å; L287-Q290 PolarHBondContact O-N 3.3Å; Q290-L297 WeakPolarHBondContact O-CA 3.44Å; Q290-L298 HydrophobicContact CB-CB 4.5Å; Q290-L298 HydrophobicContact CB-CD1 3.75Å; Q290-L298 HydrophobicContact CB-CG 4.04Å; Q290-L298 PolarHBondContact O-N 2.82Å | ||
| 291 | K | 85.7 | Confident | 84.8 | Confident | 133 Ų | 133 | 68.4 Ų | 68.4 | 58% | 0.578 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -122.8 | 152.3 | -177.9 | -71 | 175.5 | 171.7 | -161.6 | 0 | 111.3 | Q289 G295 R296 L297 | Q289-K291 PolarHBondContact O-N 3.24Å; K291-G295 VanDerWaalsContact CD-O 3.3Å; K291-G295 WeakPolarHBondContact CD-O 3.49Å; K291-R296 CarbonylContact C-O 3.6Å; K291-R296 WeakPolarHBondContact CA-O 3.38Å; K291-R296 WeakPolarHBondContact CB-O 3.32Å; K291-L297 HydrophobicContact CG-CD2 4Å |
| 292 | D | 81.7 | Confident | 85.3 | Confident | 39 Ų | 39 | 64 Ų | 64 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | trans | -77 | 177.7 | 169.1 | 71.1 | 8.6 | 0 | 0 | 0 | 111.7 | M1 N294 G295 R296 L298 | M1-D292 HydrophobicContact SD-CB 3.29Å; M1-D292 WeakPolarHBondContact SD-CB 3.27Å; D292-N294 PolarHBondContact O-N 3.01Å; D292-N294 VanDerWaalsContact O-N 3.09Å; D292-N294 VanDerWaalsContact OD1-C 3.3Å; D292-N294 VanDerWaalsContact OD1-CA 3.29Å; D292-N294 WeakPolarHBondContact OD1-CA 3.36Å; D292-N294 WeakPolarHBondContact OD1-CB 3.43Å; D292-N294 PolarHBondContact OD1-N 3.15Å; D292-G295 PolarHBondContact O-N 3.46Å; D292-G295 PolarHBondContact OD1-N 2.71Å; D292-R296 PolarHBondContact N-O 3.13Å; D292-R296 PolarHBondContact OD1-N 2.62Å; D292-L298 HydrophobicContact CB-CD2 3.65Å; D292-L298 VanDerWaalsContact N-CD2 3.34Å | ||
| 293 | S | 81.4 | Confident | 86.1 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16 | 176.5 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 294 | N | 81 | Confident | 86.7 | Confident | 129 Ų | 129 | 58.8 Ų | 58.8 | 69% | 0.69 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 4.3 | 177.4 | -53 | -53.9 | 0 | 0 | 0 | 112 | D292 R296 | D292-N294 PolarHBondContact O-N 3.01Å; D292-N294 VanDerWaalsContact O-N 3.09Å; D292-N294 VanDerWaalsContact OD1-C 3.3Å; D292-N294 VanDerWaalsContact OD1-CA 3.29Å; D292-N294 WeakPolarHBondContact OD1-CA 3.36Å; D292-N294 WeakPolarHBondContact OD1-CB 3.43Å; D292-N294 PolarHBondContact OD1-N 3.15Å; N294-R296 VanDerWaalsContact C-N 3.3Å; N294-R296 PolarHBondContact O-N 2.89Å |
| 295 | G | 83.9 | Confident | 87.3 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 40% | 0.402 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 78.2 | 8.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K291 D292 | K291-G295 VanDerWaalsContact CD-O 3.3Å; K291-G295 WeakPolarHBondContact CD-O 3.49Å; D292-G295 PolarHBondContact O-N 3.46Å; D292-G295 PolarHBondContact OD1-N 2.71Å |
| 296 | R | 84.4 | Confident | 87.7 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | trans | -84.9 | 147.7 | 175.8 | -66.3 | -176.3 | 134.8 | -153.9 | -15.7 | 110.5 | E257 K291 D292 N294 L298 | E257-R296 IonicContact OE1-CZ 3.84Å; E257-R296 IonicContact OE1-NE 3.49Å; E257-R296 PolarHBondContact OE1-NE 3.47Å; E257-R296 IonicContact OE1-NH2 2.78Å; E257-R296 PolarHBondContact OE1-NH2 3.19Å; E257-R296 IonicContact OE2-CZ 3.06Å; E257-R296 IonicContact OE2-NH2 3.63Å; E257-R296 PolarHBondContact OE2-NH2 2.86Å; K291-R296 CarbonylContact C-O 3.6Å; K291-R296 WeakPolarHBondContact CA-O 3.38Å; K291-R296 WeakPolarHBondContact CB-O 3.32Å; D292-R296 PolarHBondContact N-O 3.13Å; D292-R296 PolarHBondContact OD1-N 2.62Å; N294-R296 VanDerWaalsContact C-N 3.3Å; N294-R296 PolarHBondContact O-N 2.89Å; R296-L298 PolarHBondContact O-N 3.46Å | ||
| 297 | L | 84.4 | Confident | 88.3 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -62.3 | 135.2 | 176.9 | -61.8 | 175.9 | 0 | 0 | 0 | 110.8 | R258 P261 Q290 K291 L299 S300 | R258-L297 HydrophobicContact CB-CD1 4.35Å; P261-L297 HydrophobicContact CG-CD1 4.07Å; P261-L297 HydrophobicContact CG-CD2 3.8Å; Q290-L297 WeakPolarHBondContact O-CA 3.44Å; K291-L297 HydrophobicContact CG-CD2 4Å; L297-L299 VanDerWaalsContact C-N 3.28Å; L297-L299 PolarHBondContact O-N 3.21Å; L297-S300 WeakPolarHBondContact O-CB 3.34Å; L297-S300 PolarHBondContact O-N 3.36Å; L297-S300 PolarHBondContact O-OG 3.2Å |
| 298 | L | 82.9 | Confident | 89 | Confident | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -42.7 | 173.7 | -63 | -169.8 | 0 | 0 | 0 | 110.9 | M1 L3 Q290 D292 R296 S300 | M1-L298 HydrophobicContact CE-CD1 3.75Å; M1-L298 HydrophobicContact CE-CD2 3.23Å; M1-L298 HydrophobicContact CE-CG 4.15Å; M1-L298 HydrophobicContact SD-CD2 3.31Å; M1-L298 WeakPolarHBondContact SD-CD2 3.25Å; L3-L298 HydrophobicContact CD2-CD1 3.78Å; Q290-L298 HydrophobicContact CB-CB 4.5Å; Q290-L298 HydrophobicContact CB-CD1 3.75Å; Q290-L298 HydrophobicContact CB-CG 4.04Å; Q290-L298 PolarHBondContact O-N 2.82Å; D292-L298 HydrophobicContact CB-CD2 3.65Å; D292-L298 VanDerWaalsContact N-CD2 3.34Å; R296-L298 PolarHBondContact O-N 3.46Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 2.8Å |
| 299 | L | 84.7 | Confident | 89.6 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 56.7 | 175.6 | -66.7 | -167.9 | 0 | 0 | 0 | 110.6 | R258 V267 I283 L287 L297 | R258-L299 WeakPolarHBondContact CD-O 3.18Å; R258-L299 PolarHBondContact NH1-O 3.28Å; V267-L299 HydrophobicContact CG1-CB 3.85Å; V267-L299 HydrophobicContact CG1-CD2 4.08Å; V267-L299 HydrophobicContact CG1-CG 4.44Å; V267-L299 HydrophobicContact CG2-CB 4.31Å; I283-L299 HydrophobicContact CD1-CD1 4.08Å; I283-L299 HydrophobicContact CG1-CD1 4.49Å; I283-L299 HydrophobicContact CG2-CD1 3.76Å; L287-L299 HydrophobicContact CD1-CD1 4.22Å; L287-L299 HydrophobicContact CD2-CD1 4.05Å; L287-L299 HydrophobicContact CG-CD1 3.7Å; L297-L299 VanDerWaalsContact C-N 3.28Å; L297-L299 PolarHBondContact O-N 3.21Å |
| 300 | S | 87.4 | Confident | 90 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | trans | -84.9 | -23 | -175.6 | 42.3 | 0 | 0 | 0 | 0 | 114.6 | E257 R258 L297 L298 G302 | E257-S300 WeakPolarHBondContact CA-O 3.37Å; R258-S300 WeakPolarHBondContact CG-O 3.32Å; R258-S300 PolarHBondContact N-O 3.1Å; L297-S300 WeakPolarHBondContact O-CB 3.34Å; L297-S300 PolarHBondContact O-N 3.36Å; L297-S300 PolarHBondContact O-OG 3.2Å; L298-S300 VanDerWaalsContact C-N 3.3Å; L298-S300 PolarHBondContact O-N 2.8Å; S300-G302 PolarHBondContact O-N 2.9Å; S300-G302 VanDerWaalsContact O-N 3.09Å | ||
| 301 | Q | 91.1 | Very high | 90.5 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 87.8 | -171.4 | -62.5 | -65.8 | 0.9 | 0 | 0 | 112.2 | S255 V267 I268 E371 | S255-Q301 VanDerWaalsContact CB-OE1 3.25Å; S255-Q301 PolarHBondContact OG-OE1 3.22Å; V267-Q301 WeakPolarHBondContact CA-O 3.42Å; I268-Q301 HydrophobicContact CB-CB 4.22Å; I268-Q301 PolarHBondContact N-O 3.33Å; Q301-E371 PolarHBondContact NE2-OE2 3.06Å; Q301-E371 PolarHBondContact OE1-OE2 3.41Å |
| 302 | G | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 125.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S255 V256 S300 I304 | S255-G302 WeakPolarHBondContact CA-O 3.32Å; S255-G302 WeakPolarHBondContact CB-O 3.33Å; V256-G302 PolarHBondContact N-O 3.49Å; V256-G302 PolarHBondContact O-N 2.94Å; S300-G302 PolarHBondContact O-N 2.9Å; S300-G302 VanDerWaalsContact O-N 3.09Å; G302-I304 PolarHBondContact O-N 2.88Å |
| 303 | N | 96 | Very high | 91.9 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.07 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 113.4 | 174.3 | 179.6 | 22.2 | 0 | 0 | 0 | 110.9 | V253 I265 G266 I268 V277 A305 F358 | V253-N303 VanDerWaalsContact CG2-OD1 3.32Å; V253-N303 WeakPolarHBondContact CG2-OD1 3.44Å; I265-N303 VanDerWaalsContact CG1-O 3.31Å; I265-N303 WeakPolarHBondContact CG1-O 3.41Å; G266-N303 WeakPolarHBondContact O-CB 3.31Å; G266-N303 PolarHBondContact O-N 3.05Å; I268-N303 HydrophobicContact CD1-CB 4.25Å; I268-N303 HydrophobicContact CG1-CB 3.94Å; V277-N303 HydrophobicContact CG1-CB 4.15Å; V277-N303 HydrophobicContact CG2-CB 4.22Å; N303-A305 VanDerWaalsContact C-N 3.32Å; N303-A305 PolarHBondContact OD1-N 2.73Å; N303-F358 VanDerWaalsContact ND2-CD1 3.32Å; N303-F358 WeakPolarHBondContact ND2-CD1 3.5Å |
| 304 | I | 96.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 26.9 Ų | 26.9 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 13.1 | 177.9 | 63.1 | 164.9 | 0 | 0 | 0 | 113.7 | K254 V256 I265 G302 N306 V372 F378 | K254-I304 HydrophobicContact CB-CD1 3.92Å; K254-I304 HydrophobicContact CB-CG1 4.05Å; K254-I304 WeakPolarHBondContact O-CG1 3.19Å; V256-I304 HydrophobicContact CB-CG2 4.2Å; V256-I304 HydrophobicContact CG1-CD1 4.29Å; V256-I304 HydrophobicContact CG1-CG2 3.78Å; V256-I304 HydrophobicContact CG2-CG2 3.48Å; V256-I304 VanDerWaalsContact CG2-CG2 3.48Å; I265-I304 HydrophobicContact CD1-CG2 4Å; G302-I304 PolarHBondContact O-N 2.88Å; I304-N306 HydrophobicContact CD1-CB 4.18Å; I304-N306 HydrophobicContact CG1-CB 4.02Å; I304-N306 PolarHBondContact O-N 3.48Å; I304-V372 HydrophobicContact CD1-CG2 4.23Å; I304-F378 HydrophobicContact CB-CD2 3.62Å; I304-F378 HydrophobicContact CB-CE2 3.73Å; I304-F378 HydrophobicContact CB-CG 4.16Å; I304-F378 HydrophobicContact CB-CZ 4.34Å; I304-F378 HydrophobicContact CD1-CB 4.36Å; I304-F378 HydrophobicContact CD1-CD2 4.4Å; I304-F378 HydrophobicContact CG2-CB 4.2Å; I304-F378 HydrophobicContact CG2-CD1 3.74Å; I304-F378 HydrophobicContact CG2-CD2 3.48Å; I304-F378 VanDerWaalsContact CG2-CD2 3.48Å; I304-F378 HydrophobicContact CG2-CE1 3.87Å; I304-F378 HydrophobicContact CG2-CE2 3.63Å; I304-F378 HydrophobicContact CG2-CG 3.54Å; I304-F378 HydrophobicContact CG2-CZ 3.82Å |
| 305 | A | 95.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 13% | 0.132 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 38.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N303 H307 | N303-A305 VanDerWaalsContact C-N 3.32Å; N303-A305 PolarHBondContact OD1-N 2.73Å; A305-H307 VanDerWaalsContact C-CE1 3.4Å; A305-H307 WeakPolarHBondContact CA-CE1 3.32Å |
| 306 | N | 97.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 110.1 | 175.6 | -170.4 | -61.4 | 0 | 0 | 0 | 108 | H224 V253 K254 I304 | H224-N306 PolarHBondContact CD2-OD1 3.41Å; H224-N306 PolarHBondContact NE2-ND2 3.45Å; H224-N306 PolarHBondContact NE2-OD1 2.76Å; V253-N306 CarbonylContact C-O 3.49Å; V253-N306 WeakPolarHBondContact CA-O 3.41Å; K254-N306 HydrophobicContact CB-CB 4.16Å; K254-N306 HydrophobicContact CD-CB 4.32Å; K254-N306 WeakPolarHBondContact CD-OD1 3.33Å; K254-N306 HydrophobicContact CG-CB 4.43Å; K254-N306 PolarHBondContact N-O 3.47Å; I304-N306 HydrophobicContact CD1-CB 4.18Å; I304-N306 HydrophobicContact CG1-CB 4.02Å; I304-N306 PolarHBondContact O-N 3.48Å |
| 307 | H | 98.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.5 | -167.3 | -46.7 | 95.6 | 0 | 0 | 0 | 110.7 | H224 V225 A252 A305 F309 I357 F361 | H224-H307 CarbonylContact C-O 3.59Å; H224-H307 VanDerWaalsContact CA-O 3.31Å; H224-H307 WeakPolarHBondContact CA-O 3.24Å; H224-H307 PolarHBondContact CD2-O 2.85Å; V225-H307 HydrophobicContact CB-CB 4.49Å; V225-H307 PolarHBondContact N-O 3.28Å; V225-H307 PolarHBondContact O-N 2.87Å; A252-H307 CarbonylContact O-C 3.41Å; A252-H307 WeakPolarHBondContact O-CA 3.29Å; A305-H307 VanDerWaalsContact C-CE1 3.4Å; A305-H307 WeakPolarHBondContact CA-CE1 3.32Å; H307-F309 HydrophobicContact CB-CD2 4.36Å; H307-F309 HydrophobicContact CB-CE1 4.38Å; H307-F309 HydrophobicContact CB-CE2 3.69Å; H307-F309 HydrophobicContact CB-CZ 3.7Å; H307-I357 VanDerWaalsContact CE1-CG2 3.47Å; H307-I357 WeakPolarHBondContact CE1-CG2 3.4Å; H307-F361 AromaticContact CD2-CE1 3.65Å; H307-F361 AromaticContact CD2-CZ 3.47Å; H307-F361 VanDerWaalsContact CD2-CZ 3.47Å; H307-F361 WeakPolarHBondContact CD2-CZ 3.4Å; H307-F361 AromaticContact NE2-CZ 3.57Å |
| 308 | L | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.1 | 164.3 | -176.3 | 152.1 | 0 | 0 | 0 | 108.5 | Y222 V223 F240 I241 C244 C251 A252 | Y222-L308 HydrophobicContact CD1-CD2 4.2Å; V223-L308 WeakPolarHBondContact O-CA 3.47Å; F240-L308 HydrophobicContact CD1-CB 4.07Å; F240-L308 HydrophobicContact CD1-CD1 4.46Å; F240-L308 HydrophobicContact CE1-CB 3.49Å; F240-L308 VanDerWaalsContact CE1-CB 3.49Å; F240-L308 HydrophobicContact CE2-CB 4.42Å; F240-L308 HydrophobicContact CZ-CB 3.69Å; I241-L308 HydrophobicContact CB-CD1 4.11Å; I241-L308 HydrophobicContact CG1-CD1 3.62Å; C244-L308 HydrophobicContact CB-CD1 4.01Å; C244-L308 HydrophobicContact CB-CD2 3.63Å; C244-L308 HydrophobicContact CB-CG 4.35Å; C251-L308 CarbonylContact C-O 3.52Å; C251-L308 WeakPolarHBondContact CA-O 3.29Å; A252-L308 PolarHBondContact N-O 3.09Å; A252-L308 PolarHBondContact O-N 2.79Å |
| 309 | F | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 142 | 172.1 | -55.1 | -69.2 | 0 | 0 | 0 | 109.6 | Y203 V223 V225 C251 H307 F313 L314 I357 V360 | Y203-F309 VanDerWaalsContact OH-CZ 3.3Å; Y203-F309 WeakPolarHBondContact OH-CZ 3.41Å; V223-F309 PolarHBondContact N-O 2.86Å; V223-F309 PolarHBondContact O-N 2.87Å; V225-F309 HydrophobicContact CB-CD2 4.36Å; V225-F309 HydrophobicContact CB-CE2 4.09Å; V225-F309 HydrophobicContact CG2-CD2 3.52Å; V225-F309 HydrophobicContact CG2-CE2 3.69Å; C251-F309 HydrophobicContact CB-CD1 4.06Å; C251-F309 HydrophobicContact CB-CE1 4.34Å; C251-F309 WeakPolarHBondContact SG-CE1 3.47Å; H307-F309 HydrophobicContact CB-CD2 4.36Å; H307-F309 HydrophobicContact CB-CE1 4.38Å; H307-F309 HydrophobicContact CB-CE2 3.69Å; H307-F309 HydrophobicContact CB-CZ 3.7Å; F309-F313 HydrophobicContact CB-CD1 4.11Å; F309-F313 AromaticContact CD1-CD1 3.49Å; F309-F313 HydrophobicContact CD1-CD1 3.49Å; F309-F313 VanDerWaalsContact CD1-CD1 3.49Å; F309-F313 AromaticContact CD1-CE1 3.47Å; F309-F313 HydrophobicContact CD1-CE1 3.47Å; F309-F313 VanDerWaalsContact CD1-CE1 3.47Å; F309-F313 HydrophobicContact CE1-CD1 4.27Å; F309-F313 AromaticContact CE1-CE1 3.78Å; F309-F313 HydrophobicContact CE1-CE1 3.78Å; F309-F313 HydrophobicContact CG-CD1 4.11Å; F309-F313 HydrophobicContact CG-CE1 4.42Å; F309-L314 HydrophobicContact CB-CD1 4.12Å; F309-L314 HydrophobicContact CB-CD2 3.74Å; F309-L314 HydrophobicContact CB-CG 3.63Å; F309-L314 HydrophobicContact CD2-CD2 3.68Å; F309-L314 HydrophobicContact CD2-CG 4.41Å; F309-L314 HydrophobicContact CE2-CD2 4.42Å; F309-L314 HydrophobicContact CG-CD2 3.75Å; F309-L314 HydrophobicContact CG-CG 4.23Å; F309-I357 HydrophobicContact CE2-CD1 4.41Å; F309-I357 HydrophobicContact CZ-CG1 4.48Å; F309-V360 HydrophobicContact CE1-CG2 3.87Å; F309-V360 HydrophobicContact CZ-CG2 4.16Å |
| 310 | T | 98.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147.2 | 161.5 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | R221 Y222 A249 D250 S312 F313 L314 | R221-T310 CarbonylContact O-C 3.55Å; R221-T310 VanDerWaalsContact O-CA 3.3Å; R221-T310 WeakPolarHBondContact O-CA 3.2Å; Y222-T310 HydrophobicContact CD1-CG2 4.45Å; Y222-T310 HydrophobicContact CE1-CG2 4.45Å; A249-T310 WeakPolarHBondContact O-CG2 3.4Å; D250-T310 PolarHBondContact O-N 3.36Å; D250-T310 PolarHBondContact O-OG1 2.95Å; T310-S312 PolarHBondContact O-N 3.47Å; T310-S312 PolarHBondContact OG1-OG 3.16Å; T310-F313 WeakPolarHBondContact O-CB 3.5Å; T310-F313 PolarHBondContact O-N 2.96Å; T310-F313 VanDerWaalsContact O-N 3.1Å; T310-F313 WeakPolarHBondContact OG1-CB 3.33Å; T310-F313 PolarHBondContact OG1-N 2.94Å; T310-L314 PolarHBondContact O-N 2.9Å |
| 311 | L | 98.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -37.5 | 176.3 | -179.5 | 61.6 | 0 | 0 | 0 | 111.2 | L212 L215 I220 R221 F313 L314 Q315 | L212-L311 HydrophobicContact CD2-CD1 4.02Å; L215-L311 HydrophobicContact CB-CD1 3.96Å; L215-L311 HydrophobicContact CB-CD2 4.28Å; L215-L311 HydrophobicContact CD1-CD1 4.24Å; I220-L311 WeakPolarHBondContact O-CD2 3.29Å; R221-L311 PolarHBondContact O-N 2.78Å; L311-F313 PolarHBondContact O-N 3.39Å; L311-L314 PolarHBondContact O-N 3.32Å; L311-Q315 HydrophobicContact CD1-CG 4.41Å; L311-Q315 HydrophobicContact CG-CG 4.42Å; L311-Q315 WeakPolarHBondContact O-CB 3.35Å; L311-Q315 VanDerWaalsContact O-CG 3.29Å; L311-Q315 WeakPolarHBondContact O-CG 3.31Å; L311-Q315 PolarHBondContact O-N 3.46Å |
| 312 | S | 97.6 | Very high | 93.2 | Very high | 78 Ų | 78 | 29.4 Ų | 29.4 | 55% | 0.545 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | T310 Q315 Q316 | T310-S312 PolarHBondContact O-N 3.47Å; T310-S312 PolarHBondContact OG1-OG 3.16Å; S312-Q315 PolarHBondContact O-N 3.05Å; S312-Q316 WeakPolarHBondContact O-CB 3.47Å; S312-Q316 PolarHBondContact O-N 3.41Å |
| 313 | F | 97.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 173.5 | 178.8 | -98.3 | 0 | 0 | 0 | 111.7 | D250 C251 F309 T310 L311 Q315 Q316 V317 V360 | D250-F313 HydrophobicContact CB-CB 4.22Å; D250-F313 HydrophobicContact CB-CD2 4.39Å; D250-F313 WeakPolarHBondContact O-CB 3.44Å; C251-F313 HydrophobicContact CB-CD1 4.31Å; C251-F313 HydrophobicContact CB-CE1 4.05Å; C251-F313 HydrophobicContact CB-CE2 4.39Å; C251-F313 HydrophobicContact CB-CZ 4.09Å; F309-F313 HydrophobicContact CB-CD1 4.11Å; F309-F313 AromaticContact CD1-CD1 3.49Å; F309-F313 HydrophobicContact CD1-CD1 3.49Å; F309-F313 VanDerWaalsContact CD1-CD1 3.49Å; F309-F313 AromaticContact CD1-CE1 3.47Å; F309-F313 HydrophobicContact CD1-CE1 3.47Å; F309-F313 VanDerWaalsContact CD1-CE1 3.47Å; F309-F313 HydrophobicContact CE1-CD1 4.27Å; F309-F313 AromaticContact CE1-CE1 3.78Å; F309-F313 HydrophobicContact CE1-CE1 3.78Å; F309-F313 HydrophobicContact CG-CD1 4.11Å; F309-F313 HydrophobicContact CG-CE1 4.42Å; T310-F313 WeakPolarHBondContact O-CB 3.5Å; T310-F313 PolarHBondContact O-N 2.96Å; T310-F313 VanDerWaalsContact O-N 3.1Å; T310-F313 WeakPolarHBondContact OG1-CB 3.33Å; T310-F313 PolarHBondContact OG1-N 2.94Å; L311-F313 PolarHBondContact O-N 3.39Å; F313-Q315 VanDerWaalsContact C-N 3.31Å; F313-Q315 PolarHBondContact O-N 2.97Å; F313-Q316 WeakPolarHBondContact O-CB 3.4Å; F313-Q316 PolarHBondContact O-N 3.09Å; F313-Q316 VanDerWaalsContact O-N 3.11Å; F313-V317 HydrophobicContact CD1-CG1 4.46Å; F313-V317 HydrophobicContact CD2-CG1 4.37Å; F313-V317 HydrophobicContact CE1-CG1 3.96Å; F313-V317 HydrophobicContact CE1-CG2 4.42Å; F313-V317 HydrophobicContact CE2-CG1 3.82Å; F313-V317 HydrophobicContact CZ-CG1 3.61Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.44Å; F313-V360 HydrophobicContact CE1-CB 4.3Å; F313-V360 HydrophobicContact CE1-CG2 3.92Å; F313-V360 HydrophobicContact CZ-CB 4.14Å; F313-V360 HydrophobicContact CZ-CG2 4.09Å |
| 314 | L | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 176 | -70.6 | 179.2 | 0 | 0 | 0 | 111.9 | I81 Y203 L206 L212 V223 F309 T310 L311 Q316 V317 A318 | I81-L314 HydrophobicContact CD1-CD1 4.48Å; Y203-L314 HydrophobicContact CD1-CD2 4.02Å; Y203-L314 HydrophobicContact CE1-CD2 3.74Å; L206-L314 HydrophobicContact CD1-CD1 4.31Å; L206-L314 HydrophobicContact CD1-CD2 4.35Å; L212-L314 HydrophobicContact CD2-CB 3.88Å; V223-L314 HydrophobicContact CB-CD1 3.8Å; V223-L314 HydrophobicContact CG1-CD1 3.93Å; V223-L314 HydrophobicContact CG2-CD1 3.85Å; F309-L314 HydrophobicContact CB-CD1 4.12Å; F309-L314 HydrophobicContact CB-CD2 3.74Å; F309-L314 HydrophobicContact CB-CG 3.63Å; F309-L314 HydrophobicContact CD2-CD2 3.68Å; F309-L314 HydrophobicContact CD2-CG 4.41Å; F309-L314 HydrophobicContact CE2-CD2 4.42Å; F309-L314 HydrophobicContact CG-CD2 3.75Å; F309-L314 HydrophobicContact CG-CG 4.23Å; T310-L314 PolarHBondContact O-N 2.9Å; L311-L314 PolarHBondContact O-N 3.32Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-V317 WeakPolarHBondContact O-CG2 3.21Å; L314-V317 PolarHBondContact O-N 2.78Å; L314-A318 WeakPolarHBondContact O-CB 3.31Å; L314-A318 PolarHBondContact O-N 2.88Å |
| 315 | Q | 96.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 40.5 Ų | 40.5 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.7 | -73.2 | 173.8 | -22.8 | 0 | 0 | 111.6 | L212 L311 S312 F313 K319 | L212-Q315 HydrophobicContact CB-CG 4.45Å; L212-Q315 HydrophobicContact CD1-CG 4.37Å; L311-Q315 HydrophobicContact CD1-CG 4.41Å; L311-Q315 HydrophobicContact CG-CG 4.42Å; L311-Q315 WeakPolarHBondContact O-CB 3.35Å; L311-Q315 VanDerWaalsContact O-CG 3.29Å; L311-Q315 WeakPolarHBondContact O-CG 3.31Å; L311-Q315 PolarHBondContact O-N 3.46Å; S312-Q315 PolarHBondContact O-N 3.05Å; F313-Q315 VanDerWaalsContact C-N 3.31Å; F313-Q315 PolarHBondContact O-N 2.97Å; Q315-K319 HydrophobicContact CB-CD 4.45Å; Q315-K319 WeakPolarHBondContact O-CA 3.4Å; Q315-K319 WeakPolarHBondContact O-CB 3.49Å; Q315-K319 VanDerWaalsContact O-CG 3.25Å; Q315-K319 WeakPolarHBondContact O-CG 3.28Å; Q315-K319 PolarHBondContact O-N 2.86Å |
| 316 | Q | 95.1 | Very high | 91.8 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.5 | -52.6 | 176.9 | -175.6 | -169.5 | -54.9 | 0 | 0 | 111.2 | S312 F313 L314 N320 | S312-Q316 WeakPolarHBondContact O-CB 3.47Å; S312-Q316 PolarHBondContact O-N 3.41Å; F313-Q316 WeakPolarHBondContact O-CB 3.4Å; F313-Q316 PolarHBondContact O-N 3.09Å; F313-Q316 VanDerWaalsContact O-N 3.11Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; Q316-N320 WeakPolarHBondContact O-CB 3.18Å; Q316-N320 PolarHBondContact O-N 3.12Å; Q316-N320 VanDerWaalsContact O-N 3.1Å; Q316-N320 PolarHBondContact O-ND2 3.45Å |
| 317 | V | 95 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -33.6 | -174.9 | -59.7 | 0 | 0 | 0 | 0 | 112.7 | Y203 F313 L314 C322 V360 Y363 | Y203-V317 HydrophobicContact CD1-CG2 3.55Å; Y203-V317 HydrophobicContact CE1-CG2 3.98Å; Y203-V317 HydrophobicContact CG-CG2 4.2Å; F313-V317 HydrophobicContact CD1-CG1 4.46Å; F313-V317 HydrophobicContact CD2-CG1 4.37Å; F313-V317 HydrophobicContact CE1-CG1 3.96Å; F313-V317 HydrophobicContact CE1-CG2 4.42Å; F313-V317 HydrophobicContact CE2-CG1 3.82Å; F313-V317 HydrophobicContact CZ-CG1 3.61Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.44Å; L314-V317 WeakPolarHBondContact O-CG2 3.21Å; L314-V317 PolarHBondContact O-N 2.78Å; V317-C322 HydrophobicContact CB-CB 4.46Å; V317-C322 WeakPolarHBondContact O-CB 3.31Å; V317-C322 PolarHBondContact O-N 2.96Å; V317-V360 HydrophobicContact CB-CG1 4.32Å; V317-V360 HydrophobicContact CG1-CB 4.42Å; V317-V360 HydrophobicContact CG1-CG1 4.46Å; V317-V360 HydrophobicContact CG2-CG1 4.27Å; V317-Y363 HydrophobicContact CG1-CG 4.5Å |
| 318 | A | 92.6 | Very high | 91 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 5% | 0.05 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.8 | -40.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y203 K207 L212 L314 | Y203-A318 WeakPolarHBondContact O-CB 3.32Å; K207-A318 HydrophobicContact CB-CB 4.17Å; K207-A318 WeakPolarHBondContact CD-O 3.48Å; L212-A318 HydrophobicContact CD1-CB 3.69Å; L314-A318 WeakPolarHBondContact O-CB 3.31Å; L314-A318 PolarHBondContact O-N 2.88Å |
| 319 | K | 78.8 | Confident | 90.4 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -79 | -32.3 | -176.5 | -65.6 | -176.8 | 175.9 | -175 | 0 | 113 | D213 Q315 D321 | D213-K319 IonicContact OD1-NZ 3.84Å; Q315-K319 HydrophobicContact CB-CD 4.45Å; Q315-K319 WeakPolarHBondContact O-CA 3.4Å; Q315-K319 WeakPolarHBondContact O-CB 3.49Å; Q315-K319 VanDerWaalsContact O-CG 3.25Å; Q315-K319 WeakPolarHBondContact O-CG 3.28Å; Q315-K319 PolarHBondContact O-N 2.86Å; K319-D321 PolarHBondContact O-N 2.91Å |
| 320 | N | 80.8 | Confident | 90.1 | Very high | 112 Ų | 112 | 61.8 Ų | 61.8 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 10.1 | 178.3 | -62.7 | -13 | 0 | 0 | 0 | 113.4 | Q316 C322 | Q316-N320 WeakPolarHBondContact O-CB 3.18Å; Q316-N320 PolarHBondContact O-N 3.12Å; Q316-N320 VanDerWaalsContact O-N 3.1Å; Q316-N320 PolarHBondContact O-ND2 3.45Å; N320-C322 PolarHBondContact O-N 3.46Å; N320-C322 VanDerWaalsContact O-N 3.14Å |
| 321 | D | 71.9 | Confident | 89.7 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 44.4 | -178.7 | -62.7 | -41.9 | 0 | 0 | 0 | 112 | K207 K319 Q323 | K207-D321 IonicContact NZ-OD1 3.77Å; K207-D321 PolarHBondContact NZ-OD1 2.87Å; K207-D321 IonicContact NZ-OD2 2.92Å; K207-D321 PolarHBondContact NZ-OD2 3.18Å; K319-D321 PolarHBondContact O-N 2.91Å; D321-Q323 PolarHBondContact O-N 3.1Å |
| 322 | C | 79.5 | Confident | 89.5 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -55.2 | 113.4 | 177.5 | -72.7 | 0 | 0 | 0 | 0 | 108.9 | V317 N320 L324 Y363 | V317-C322 HydrophobicContact CB-CB 4.46Å; V317-C322 WeakPolarHBondContact O-CB 3.31Å; V317-C322 PolarHBondContact O-N 2.96Å; N320-C322 PolarHBondContact O-N 3.46Å; N320-C322 VanDerWaalsContact O-N 3.14Å; C322-L324 PolarHBondContact O-N 3.41Å; C322-L324 VanDerWaalsContact O-N 3.11Å; C322-Y363 HydrophobicContact CB-CD1 4.36Å; C322-Y363 HydrophobicContact CB-CE1 3.89Å; C322-Y363 HydrophobicContact CB-CE2 4.13Å; C322-Y363 VanDerWaalsContact SG-CE1 3.55Å | ||
| 323 | Q | 80.9 | Confident | 89.3 | Confident | 173 Ų | 173 | 66.6 Ų | 66.6 | 81% | 0.808 | 32% | 0.318 | S | S | * | . | trans | -76.2 | 107.3 | -177.5 | -62.6 | -140.7 | -10.2 | 0 | 0 | 109.4 | D321 Y363 | D321-Q323 PolarHBondContact O-N 3.1Å; Q323-Y363 PolarHBondContact O-OH 2.66Å | ||
| 324 | L | 91.5 | Very high | 89.1 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 139.3 | 170 | -57 | -172.8 | 0 | 0 | 0 | 109.3 | Y203 C322 K355 D359 V360 Y363 | Y203-L324 HydrophobicContact CD2-CD1 3.53Å; Y203-L324 HydrophobicContact CE2-CD1 3.76Å; C322-L324 PolarHBondContact O-N 3.41Å; C322-L324 VanDerWaalsContact O-N 3.11Å; L324-K355 HydrophobicContact CB-CD 4.25Å; L324-K355 HydrophobicContact CB-CG 4.29Å; L324-D359 HydrophobicContact CB-CB 4.33Å; L324-D359 HydrophobicContact CD1-CB 4.43Å; L324-D359 HydrophobicContact CD2-CB 3.95Å; L324-D359 HydrophobicContact CG-CB 4.46Å; L324-V360 HydrophobicContact CD1-CG1 3.92Å; L324-V360 HydrophobicContact CD2-CG1 3.81Å; L324-V360 HydrophobicContact CG-CG1 4.44Å; L324-Y363 HydrophobicContact CD2-CE2 4.04Å |
| 325 | P | 91 | Very high | 89 | Confident | 69 Ų | 69 | 72.2 Ų | 72.2 | 45% | 0.448 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 149.3 | 177.6 | 29.2 | -34.6 | 0 | 0 | 0 | 110.7 | D359 | P325-D359 HydrophobicContact CG-CB 4.33Š|
| 326 | Y | 90 | Very high | 88.9 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 130.3 | 166 | -74 | -78 | 0 | 0 | 0 | 109.7 | M175 L353 K355 | M175-Y326 HydrophobicContact CE-CE1 3.9Å; M175-Y326 HydrophobicContact CG-CE1 3.99Å; M175-Y326 HydrophobicContact SD-CE1 4.01Å; Y326-L353 HydrophobicContact CD1-CB 3.74Å; Y326-L353 HydrophobicContact CE1-CB 4.4Å; Y326-L353 HydrophobicContact CG-CB 4.29Å; Y326-K355 HydrophobicContact CD1-CG 4.06Å; Y326-K355 HydrophobicContact CE1-CD 4.35Å; Y326-K355 HydrophobicContact CE1-CG 4.02Å; Y326-K355 VanDerWaalsContact CZ-CE 3.5Å; Y326-K355 WeakPolarHBondContact OH-CE 3.19Å |
| 327 | H | 89.7 | Confident | 88.7 | Confident | 39 Ų | 39 | 70.3 Ų | 70.3 | 18% | 0.181 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.6 | 172.8 | -59.4 | -89.9 | 0 | 0 | 0 | 109.2 | E354 F356 D359 | H327-E354 WeakPolarHBondContact CB-O 3.14Å; H327-E354 PolarHBondContact CD2-O 2.64Å; H327-E354 PolarHBondContact N-O 3.18Å; H327-E354 PolarHBondContact O-N 2.97Å; H327-F356 HydrophobicContact CB-CD2 4.34Å; H327-F356 HydrophobicContact CB-CE2 3.71Å; H327-F356 HydrophobicContact CB-CZ 3.94Å; H327-F356 AromaticContact CD2-CD2 3.24Å; H327-F356 WeakPolarHBondContact CD2-CD2 3.39Å; H327-F356 AromaticContact CD2-CE2 3.53Å; H327-F356 AromaticContact CD2-CG 3.83Å; H327-F356 AromaticContact CE1-CD2 3.58Å; H327-F356 AromaticContact CE1-CE2 3.83Å; H327-F356 AromaticContact CG-CD2 3.54Å; H327-F356 AromaticContact CG-CE2 3.3Å; H327-F356 AromaticContact ND1-CD2 3.78Å; H327-F356 AromaticContact ND1-CE2 3.55Å; H327-F356 AromaticContact NE2-CD2 3.26Å; H327-F356 VanDerWaalsContact NE2-CD2 3.26Å; H327-F356 WeakPolarHBondContact NE2-CD2 3.44Å; H327-F356 AromaticContact NE2-CE2 3.84Å; H327-D359 IonicContact CD2-OD2 3.9Å; H327-D359 PolarHBondContact CD2-OD2 2.85Å; H327-D359 IonicContact CE1-OD2 3.42Å; H327-D359 IonicContact NE2-OD1 3.35Å; H327-D359 IonicContact NE2-OD2 2.65Å; H327-D359 PolarHBondContact NE2-OD2 3.49Å |
| 328 | M | 89.3 | Confident | 88.4 | Confident | 126 Ų | 126 | 77.6 Ų | 77.6 | 62% | 0.621 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 118.2 | -178 | -76.2 | 170.6 | 44 | 0 | 0 | 111.2 | F351 L353 | M328-F351 HydrophobicContact CB-CD1 4.29Å; M328-F351 HydrophobicContact CE-CD1 3.54Å; M328-F351 HydrophobicContact CE-CD2 4.47Å; M328-F351 HydrophobicContact CE-CE1 3.48Å; M328-F351 VanDerWaalsContact CE-CE1 3.48Å; M328-F351 HydrophobicContact CE-CE2 4.42Å; M328-F351 HydrophobicContact CE-CG 4.05Å; M328-F351 HydrophobicContact CE-CZ 3.96Å; M328-L353 HydrophobicContact CB-CD2 4.5Å; M328-L353 HydrophobicContact CG-CD2 3.53Å |
| 329 | A | 87.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | K331 F351 K352 | A329-K331 PolarHBondContact O-N 3.47Å; A329-F351 WeakPolarHBondContact O-CA 3.43Å; A329-K352 PolarHBondContact N-O 3Å; A329-K352 PolarHBondContact O-N 3.48Å |
| 330 | R | 90.9 | Very high | 88.9 | Confident | 179 Ų | 179 | 77.6 Ų | 77.6 | 68% | 0.675 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 126.5 | 172.5 | -79.7 | -173 | 176.5 | 171.7 | 3.9 | 110.8 | A348 G350 F351 | R330-A348 HydrophobicContact CB-CB 4.37Å; R330-G350 WeakPolarHBondContact CA-O 3.34Å; R330-F351 HydrophobicContact CG-CD1 3.49Å; R330-F351 VanDerWaalsContact CG-CD1 3.49Å; R330-F351 HydrophobicContact CG-CE1 3.23Å; R330-F351 HydrophobicContact CG-CZ 4.12Å; R330-F351 VanDerWaalsContact NE-CE1 3.26Å |
| 331 | K | 91.2 | Very high | 89.5 | Confident | 78 Ų | 78 | 80.3 Ų | 80.3 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.1 | -177.2 | -60.9 | -67.6 | 178.2 | -177.6 | 0 | 111.6 | A329 I333 A348 N349 G350 K352 | A329-K331 PolarHBondContact O-N 3.47Å; K331-I333 HydrophobicContact CB-CD1 4.33Å; K331-I333 HydrophobicContact CB-CG1 4.03Å; K331-A348 VanDerWaalsContact O-CA 3.29Å; K331-A348 WeakPolarHBondContact O-CA 3.27Å; K331-N349 PolarHBondContact O-N 3.08Å; K331-N349 PolarHBondContact O-OD1 3.41Å; K331-G350 PolarHBondContact N-O 2.81Å; K331-G350 PolarHBondContact O-N 3.02Å; K331-K352 HydrophobicContact CB-CG 4.49Å; K331-K352 HydrophobicContact CG-CD 4.08Å; K331-K352 HydrophobicContact CG-CG 4.14Å |
| 332 | K | 93.5 | Very high | 90.6 | Very high | 129 Ų | 129 | 80.4 Ų | 80.4 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | trans | -79.8 | 108.1 | 162.9 | -61.2 | -179.5 | -175.2 | -165.4 | 0 | 106.9 | P345 D346 | K332-P345 HydrophobicContact CB-CG 4.05Å; K332-P345 WeakPolarHBondContact CD-O 3.39Å; K332-D346 WeakPolarHBondContact CE-O 3.28Å; K332-D346 PolarHBondContact NZ-O 3.08Å | ||
| 333 | I | 93.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | trans | -113.7 | 118.2 | -176.7 | -63.6 | 152.7 | 0 | 0 | 0 | 107.1 | C177 I185 A193 K331 F335 P345 N349 K352 | C177-I333 HydrophobicContact CB-CD1 4.05Å; C177-I333 HydrophobicContact CB-CG2 3.91Å; I185-I333 HydrophobicContact CD1-CB 4.03Å; I185-I333 HydrophobicContact CD1-CD1 4.09Å; I185-I333 HydrophobicContact CD1-CG2 3.84Å; I185-I333 HydrophobicContact CG2-CG2 4.21Å; A193-I333 HydrophobicContact CB-CG2 3.98Å; K331-I333 HydrophobicContact CB-CD1 4.33Å; K331-I333 HydrophobicContact CB-CG1 4.03Å; I333-F335 PolarHBondContact O-N 3.04Å; I333-P345 WeakPolarHBondContact O-CG 3.43Å; I333-N349 PolarHBondContact N-OD1 3.47Å; I333-N349 PolarHBondContact O-ND2 3.26Å; I333-N349 PolarHBondContact O-OD1 2.78Å; I333-K352 HydrophobicContact CD1-CG 4.22Å; I333-K352 HydrophobicContact CG1-CG 4.48Å | ||
| 334 | P | 94.7 | Very high | 92 | Very high | 54 Ų | 54 | 78.4 Ų | 78.4 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | trans | -52.6 | 137.5 | 172.9 | -25.6 | 35 | 0 | 0 | 0 | 110.9 | L342 V343 | P334-L342 HydrophobicContact CB-CD1 3.77Å; P334-V343 VanDerWaalsContact CA-O 3.31Å; P334-V343 WeakPolarHBondContact CA-O 3.1Å | ||
| 335 | F | 95.1 | Very high | 92 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 29% | 0.285 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 156.2 | -175.6 | 71.5 | -77.8 | 0 | 0 | 0 | 111.5 | I185 L186 I333 V343 P345 N349 | I185-F335 HydrophobicContact CG2-CB 3.48Å; I185-F335 VanDerWaalsContact CG2-CB 3.48Å; L186-F335 CarbonylContact O-C 3.39Å; L186-F335 WeakPolarHBondContact O-CA 3.44Å; I333-F335 PolarHBondContact O-N 3.04Å; F335-V343 HydrophobicContact CD1-CB 4.28Å; F335-V343 HydrophobicContact CE1-CB 3.82Å; F335-V343 HydrophobicContact CE1-CG1 3.7Å; F335-V343 HydrophobicContact CE2-CB 4.45Å; F335-V343 HydrophobicContact CZ-CB 3.92Å; F335-V343 HydrophobicContact CZ-CG1 3.86Å; F335-V343 PolarHBondContact N-O 3.17Å; F335-V343 PolarHBondContact O-N 3.03Å; F335-P345 HydrophobicContact CD1-CG 4.46Å; F335-P345 HydrophobicContact CE1-CB 4.09Å; F335-P345 HydrophobicContact CE1-CG 4.49Å; F335-N349 WeakPolarHBondContact CD1-ND2 3.49Å |
| 336 | L | 94.3 | Very high | 92.1 | Very high | 39 Ų | 39 | 81.9 Ų | 81.9 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 120.4 | 174.4 | -159.9 | 75.3 | 0 | 0 | 0 | 109.4 | L186 R189 G340 R341 | L186-L336 HydrophobicContact CB-CB 4.11Å; L186-L336 PolarHBondContact O-N 3.42Å; R189-L336 HydrophobicContact CG-CD2 3.96Å; L336-G340 WeakPolarHBondContact CD1-O 3.45Å; L336-R341 WeakPolarHBondContact CA-O 3.29Å |
| 337 | S | 92.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 85.4 Ų | 85.4 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | trans | -68.7 | 167.8 | 172.3 | 52.4 | 0 | 0 | 0 | 0 | 111.8 | D339 G340 R341 | S337-D339 VanDerWaalsContact CB-OD1 3.24Å; S337-D339 WeakPolarHBondContact CB-OD1 3.48Å; S337-D339 PolarHBondContact O-N 2.94Å; S337-D339 PolarHBondContact OG-OD1 3.01Å; S337-G340 WeakPolarHBondContact O-CA 3.14Å; S337-G340 PolarHBondContact O-N 3.27Å; S337-R341 PolarHBondContact N-O 3.45Å; S337-R341 WeakPolarHBondContact OG-CB 3.31Å; S337-R341 PolarHBondContact OG-N 2.7Å; S337-R341 VanDerWaalsContact OG-N 3.16Å; S337-R341 PolarHBondContact OG-O 2.81Å | ||
| 338 | T | 88.4 | Confident | 92.5 | Very high | 157 Ų | 157 | 86 Ų | 86 | 96% | 0.963 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.8 | 179.9 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | G340 | T338-G340 VanDerWaalsContact C-N 3.27Š|
| 339 | D | 91.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 81.5 Ų | 81.5 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.7 | 172.4 | 65.8 | -21.8 | 0 | 0 | 0 | 113.4 | S337 R341 | S337-D339 VanDerWaalsContact CB-OD1 3.24Å; S337-D339 WeakPolarHBondContact CB-OD1 3.48Å; S337-D339 PolarHBondContact O-N 2.94Å; S337-D339 PolarHBondContact OG-OD1 3.01Å; D339-R341 VanDerWaalsContact OD2-CD 3.23Å; D339-R341 WeakPolarHBondContact OD2-CD 3.46Å; D339-R341 IonicContact OD2-CZ 2.78Å; D339-R341 VanDerWaalsContact OD2-CZ 3.26Å; D339-R341 IonicContact OD2-NE 3.83Å; D339-R341 PolarHBondContact OD2-NE 3.43Å; D339-R341 IonicContact OD2-NH1 3.76Å; D339-R341 PolarHBondContact OD2-NH1 2.91Å |
| 340 | G | 90.5 | Very high | 93.1 | Very high | 22 Ų | 22 | 80.4 Ų | 80.4 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 80.4 | 27.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | L336 S337 T338 | L336-G340 WeakPolarHBondContact CD1-O 3.45Å; S337-G340 WeakPolarHBondContact O-CA 3.14Å; S337-G340 PolarHBondContact O-N 3.27Å; T338-G340 VanDerWaalsContact C-N 3.27Å |
| 341 | R | 93.9 | Very high | 93.2 | Very high | 170 Ų | 170 | 73.2 Ų | 73.2 | 64% | 0.642 | 39% | 0.385 | S | S | * | . | trans | -103.8 | 144.3 | 176 | -61.2 | 179.7 | 176.8 | 147.7 | -11.7 | 110.7 | L336 S337 D339 V343 | L336-R341 WeakPolarHBondContact CA-O 3.29Å; S337-R341 PolarHBondContact N-O 3.45Å; S337-R341 WeakPolarHBondContact OG-CB 3.31Å; S337-R341 PolarHBondContact OG-N 2.7Å; S337-R341 VanDerWaalsContact OG-N 3.16Å; S337-R341 PolarHBondContact OG-O 2.81Å; D339-R341 VanDerWaalsContact OD2-CD 3.23Å; D339-R341 WeakPolarHBondContact OD2-CD 3.46Å; D339-R341 IonicContact OD2-CZ 2.78Å; D339-R341 VanDerWaalsContact OD2-CZ 3.26Å; D339-R341 IonicContact OD2-NE 3.83Å; D339-R341 PolarHBondContact OD2-NE 3.43Å; D339-R341 IonicContact OD2-NH1 3.76Å; D339-R341 PolarHBondContact OD2-NH1 2.91Å; R341-V343 PolarHBondContact O-N 2.94Å | ||
| 342 | L | 94.5 | Very high | 93.2 | Very high | 110 Ų | 110 | 72.4 Ų | 72.4 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 124 | 174.2 | -179.9 | 59.3 | 0 | 0 | 0 | 109.7 | D187 P334 | D187-L342 HydrophobicContact CB-CD1 4.16Å; D187-L342 WeakPolarHBondContact O-CD1 3.44Å; P334-L342 HydrophobicContact CB-CD1 3.77Å |
| 343 | V | 95 | Very high | 93.1 | Very high | 52 Ų | 52 | 67.7 Ų | 67.7 | 32% | 0.315 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.3 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | P334 F335 R341 | P334-V343 VanDerWaalsContact CA-O 3.31Å; P334-V343 WeakPolarHBondContact CA-O 3.1Å; F335-V343 HydrophobicContact CD1-CB 4.28Å; F335-V343 HydrophobicContact CE1-CB 3.82Å; F335-V343 HydrophobicContact CE1-CG1 3.7Å; F335-V343 HydrophobicContact CE2-CB 4.45Å; F335-V343 HydrophobicContact CZ-CB 3.92Å; F335-V343 HydrophobicContact CZ-CG1 3.86Å; F335-V343 PolarHBondContact N-O 3.17Å; F335-V343 PolarHBondContact O-N 3.03Å; R341-V343 PolarHBondContact O-N 2.94Å |
| 344 | T | 93.8 | Very high | 93 | Very high | 106 Ų | 106 | 70.1 Ų | 70.1 | 65% | 0.65 | 37% | 0.374 | S | S | * | . | trans | -91.2 | 117.3 | 167.2 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 345 | P | 93.2 | Very high | 93 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | trans | -78.5 | 146.4 | -173.1 | 29.9 | -34.3 | 0 | 0 | 0 | 112.9 | K332 I333 F335 K347 N349 | K332-P345 HydrophobicContact CB-CG 4.05Å; K332-P345 WeakPolarHBondContact CD-O 3.39Å; I333-P345 WeakPolarHBondContact O-CG 3.43Å; F335-P345 HydrophobicContact CD1-CG 4.46Å; F335-P345 HydrophobicContact CE1-CB 4.09Å; F335-P345 HydrophobicContact CE1-CG 4.49Å; P345-K347 VanDerWaalsContact C-N 3.33Å; P345-K347 WeakPolarHBondContact CB-O 3.3Å; P345-N349 HydrophobicContact CB-CB 4.32Å; P345-N349 HydrophobicContact CG-CB 4.36Å; P345-N349 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 346 | D | 93 | Very high | 92.9 | Very high | 144 Ų | 144 | 67.3 Ų | 67.3 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.9 | -22.8 | 176.7 | -63.5 | -39.9 | 0 | 0 | 0 | 113.5 | K332 | K332-D346 WeakPolarHBondContact CE-O 3.28Å; K332-D346 PolarHBondContact NZ-O 3.08Å |
| 347 | K | 93.7 | Very high | 93 | Very high | 173 Ų | 173 | 65.4 Ų | 65.4 | 75% | 0.752 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -128 | 160.3 | -179.7 | -64 | -178.9 | -177 | 176.4 | 0 | 110.2 | P345 N349 | P345-K347 VanDerWaalsContact C-N 3.33Å; P345-K347 WeakPolarHBondContact CB-O 3.3Å; K347-N349 PolarHBondContact O-N 3.01Å |
| 348 | A | 93.7 | Very high | 93.2 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | trans | -60.7 | 124.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R330 K331 | R330-A348 HydrophobicContact CB-CB 4.37Å; K331-A348 VanDerWaalsContact O-CA 3.29Å; K331-A348 WeakPolarHBondContact O-CA 3.27Å | ||
| 349 | N | 95.1 | Very high | 93.5 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | trans | -116.8 | -5.6 | -174 | 65.4 | -42.6 | 0 | 0 | 0 | 113.2 | N180 K331 I333 F335 P345 K347 | N180-N349 PolarHBondContact N-O 3.3Å; K331-N349 PolarHBondContact O-N 3.08Å; K331-N349 PolarHBondContact O-OD1 3.41Å; I333-N349 PolarHBondContact N-OD1 3.47Å; I333-N349 PolarHBondContact O-ND2 3.26Å; I333-N349 PolarHBondContact O-OD1 2.78Å; F335-N349 WeakPolarHBondContact CD1-ND2 3.49Å; P345-N349 HydrophobicContact CB-CB 4.32Å; P345-N349 HydrophobicContact CG-CB 4.36Å; P345-N349 WeakPolarHBondContact CG-OD1 3.29Å; K347-N349 PolarHBondContact O-N 3.01Å | ||
| 350 | G | 93.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | -168.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F178 R330 K331 | F178-G350 CarbonylContact O-C 3.38Å; F178-G350 WeakPolarHBondContact O-CA 3.44Å; R330-G350 WeakPolarHBondContact CA-O 3.34Å; K331-G350 PolarHBondContact N-O 2.81Å; K331-G350 PolarHBondContact O-N 3.02Å |
| 351 | F | 93.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 13% | 0.127 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 140.5 | -173.2 | -53.8 | -88.7 | 0 | 0 | 0 | 111.4 | F178 M328 A329 R330 | F178-F351 PolarHBondContact N-O 2.92Å; F178-F351 PolarHBondContact O-N 3.18Å; M328-F351 HydrophobicContact CB-CD1 4.29Å; M328-F351 HydrophobicContact CE-CD1 3.54Å; M328-F351 HydrophobicContact CE-CD2 4.47Å; M328-F351 HydrophobicContact CE-CE1 3.48Å; M328-F351 VanDerWaalsContact CE-CE1 3.48Å; M328-F351 HydrophobicContact CE-CE2 4.42Å; M328-F351 HydrophobicContact CE-CG 4.05Å; M328-F351 HydrophobicContact CE-CZ 3.96Å; A329-F351 WeakPolarHBondContact O-CA 3.43Å; R330-F351 HydrophobicContact CG-CD1 3.49Å; R330-F351 VanDerWaalsContact CG-CD1 3.49Å; R330-F351 HydrophobicContact CG-CE1 3.23Å; R330-F351 HydrophobicContact CG-CZ 4.12Å; R330-F351 VanDerWaalsContact NE-CE1 3.26Å |
| 352 | K | 91.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 26% | 0.261 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 145.9 | 160.6 | -61.4 | -170.9 | 174.8 | -166.6 | 0 | 108.7 | A195 A329 K331 I333 | A195-K352 HydrophobicContact CB-CD 3.61Å; A195-K352 HydrophobicContact CB-CG 4.17Å; A329-K352 PolarHBondContact N-O 3Å; A329-K352 PolarHBondContact O-N 3.48Å; K331-K352 HydrophobicContact CB-CG 4.49Å; K331-K352 HydrophobicContact CG-CD 4.08Å; K331-K352 HydrophobicContact CG-CG 4.14Å; I333-K352 HydrophobicContact CD1-CG 4.22Å; I333-K352 HydrophobicContact CG1-CG 4.48Å |
| 353 | L | 90.9 | Very high | 93.8 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.3 | 175.3 | -59.1 | -177.4 | 0 | 0 | 0 | 109.1 | M175 F178 Y326 M328 | M175-L353 HydrophobicContact CE-CD1 3.95Å; F178-L353 HydrophobicContact CD2-CD1 4.16Å; F178-L353 HydrophobicContact CD2-CG 4.34Å; F178-L353 HydrophobicContact CE2-CD1 3.69Å; F178-L353 HydrophobicContact CE2-CG 4.27Å; Y326-L353 HydrophobicContact CD1-CB 3.74Å; Y326-L353 HydrophobicContact CE1-CB 4.4Å; Y326-L353 HydrophobicContact CG-CB 4.29Å; M328-L353 HydrophobicContact CB-CD2 4.5Å; M328-L353 HydrophobicContact CG-CD2 3.53Å |
| 354 | E | 91 | Very high | 93.8 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138.3 | -178.5 | -65.9 | 178.7 | -168.1 | 0 | 0 | 109.6 | H327 | H327-E354 WeakPolarHBondContact CB-O 3.14Å; H327-E354 PolarHBondContact CD2-O 2.64Å; H327-E354 PolarHBondContact N-O 3.18Å; H327-E354 PolarHBondContact O-N 2.97Å |
| 355 | K | 93.3 | Very high | 93.8 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 10% | 0.1 | 23% | 0.234 | C | C | . | . | trans | -92.1 | 146.2 | 165.4 | -67.9 | 171 | -178.9 | 164.8 | 0 | 108.6 | D197 G198 N199 G200 E204 L324 Y326 | D197-K355 PolarHBondContact O-N 3.28Å; G198-K355 CarbonylContact C-O 3.58Å; N199-K355 PolarHBondContact N-O 2.8Å; N199-K355 PolarHBondContact OD1-O 2.79Å; G200-K355 WeakPolarHBondContact CA-O 3.38Å; G200-K355 PolarHBondContact N-O 3.44Å; E204-K355 IonicContact OE2-NZ 3.21Å; E204-K355 PolarHBondContact OE2-NZ 3.02Å; L324-K355 HydrophobicContact CB-CD 4.25Å; L324-K355 HydrophobicContact CB-CG 4.29Å; Y326-K355 HydrophobicContact CD1-CG 4.06Å; Y326-K355 HydrophobicContact CE1-CD 4.35Å; Y326-K355 HydrophobicContact CE1-CG 4.02Å; Y326-K355 VanDerWaalsContact CZ-CE 3.5Å; Y326-K355 WeakPolarHBondContact OH-CE 3.19Å | ||
| 356 | F | 94.7 | Very high | 93.8 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | trans | -102.7 | 140.5 | 173.4 | -63.1 | -41.2 | 0 | 0 | 0 | 112.8 | N199 E279 H327 F358 D359 | N199-F356 VanDerWaalsContact OD1-CA 3.31Å; N199-F356 WeakPolarHBondContact OD1-CA 3.35Å; E279-F356 HydrophobicContact CG-CD2 4.5Å; E279-F356 HydrophobicContact CG-CE2 4.03Å; H327-F356 HydrophobicContact CB-CD2 4.34Å; H327-F356 HydrophobicContact CB-CE2 3.71Å; H327-F356 HydrophobicContact CB-CZ 3.94Å; H327-F356 AromaticContact CD2-CD2 3.24Å; H327-F356 WeakPolarHBondContact CD2-CD2 3.39Å; H327-F356 AromaticContact CD2-CE2 3.53Å; H327-F356 AromaticContact CD2-CG 3.83Å; H327-F356 AromaticContact CE1-CD2 3.58Å; H327-F356 AromaticContact CE1-CE2 3.83Å; H327-F356 AromaticContact CG-CD2 3.54Å; H327-F356 AromaticContact CG-CE2 3.3Å; H327-F356 AromaticContact ND1-CD2 3.78Å; H327-F356 AromaticContact ND1-CE2 3.55Å; H327-F356 AromaticContact NE2-CD2 3.26Å; H327-F356 VanDerWaalsContact NE2-CD2 3.26Å; H327-F356 WeakPolarHBondContact NE2-CD2 3.44Å; H327-F356 AromaticContact NE2-CE2 3.84Å; F356-F358 HydrophobicContact CB-CD1 4.09Å; F356-F358 HydrophobicContact CB-CD2 3.97Å; F356-F358 HydrophobicContact CB-CE1 3.69Å; F356-F358 HydrophobicContact CB-CE2 3.55Å; F356-F358 HydrophobicContact CB-CG 4.24Å; F356-F358 HydrophobicContact CB-CZ 3.42Å; F356-F358 VanDerWaalsContact CB-CZ 3.42Å; F356-F358 HydrophobicContact CD2-CE1 4.21Å; F356-F358 AromaticContact CD2-CE2 3.75Å; F356-F358 HydrophobicContact CD2-CE2 3.75Å; F356-F358 AromaticContact CD2-CZ 3.34Å; F356-F358 HydrophobicContact CD2-CZ 3.34Å; F356-F358 HydrophobicContact CE2-CZ 4.23Å; F356-F358 AromaticContact CG-CE1 3.97Å; F356-F358 HydrophobicContact CG-CE1 3.97Å; F356-F358 HydrophobicContact CG-CE2 4.02Å; F356-F358 AromaticContact CG-CZ 3.52Å; F356-F358 HydrophobicContact CG-CZ 3.52Å; F356-F358 PolarHBondContact O-N 3.18Å; F356-D359 PolarHBondContact N-OD2 2.92Å; F356-D359 WeakPolarHBondContact O-CB 3.09Å; F356-D359 PolarHBondContact O-N 2.8Å; F356-D359 VanDerWaalsContact O-N 3.1Å | ||
| 357 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -58.9 | -32.2 | -178.1 | -173.6 | 169.6 | 0 | 0 | 0 | 112.3 | L83 N199 L202 Y203 V225 H307 F309 D359 V360 | L83-I357 HydrophobicContact CD1-CD1 3.58Å; L83-I357 HydrophobicContact CD2-CD1 4.37Å; N199-I357 PolarHBondContact OD1-N 3.37Å; L202-I357 HydrophobicContact CD2-CD1 3.78Å; L202-I357 HydrophobicContact CD2-CG1 4.26Å; Y203-I357 HydrophobicContact CE2-CG1 4.46Å; Y203-I357 WeakPolarHBondContact OH-CG1 3.41Å; Y203-I357 PolarHBondContact OH-O 2.77Å; V225-I357 HydrophobicContact CB-CD1 4.22Å; V225-I357 HydrophobicContact CG1-CD1 3.48Å; V225-I357 VanDerWaalsContact CG1-CD1 3.48Å; H307-I357 VanDerWaalsContact CE1-CG2 3.47Å; H307-I357 WeakPolarHBondContact CE1-CG2 3.4Å; F309-I357 HydrophobicContact CE2-CD1 4.41Å; F309-I357 HydrophobicContact CZ-CG1 4.48Å; I357-D359 VanDerWaalsContact C-N 3.32Å; I357-D359 PolarHBondContact O-N 3.43Å; I357-V360 WeakPolarHBondContact O-CG2 3.19Å |
| 358 | F | 95.7 | Very high | 94 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -80.4 | -9.5 | -178.4 | 52.1 | -110.7 | 0 | 0 | 0 | 113.8 | V277 E279 N303 F356 V360 F361 | V277-F358 HydrophobicContact CB-CB 4.22Å; V277-F358 HydrophobicContact CB-CD1 4.16Å; V277-F358 HydrophobicContact CB-CD2 3.55Å; V277-F358 HydrophobicContact CB-CE1 4.37Å; V277-F358 HydrophobicContact CB-CE2 3.81Å; V277-F358 HydrophobicContact CB-CG 3.72Å; V277-F358 HydrophobicContact CB-CZ 4.2Å; V277-F358 HydrophobicContact CG1-CD1 4.24Å; V277-F358 HydrophobicContact CG1-CD2 4.3Å; V277-F358 HydrophobicContact CG1-CE1 4.11Å; V277-F358 HydrophobicContact CG1-CE2 4.19Å; V277-F358 HydrophobicContact CG1-CG 4.3Å; V277-F358 HydrophobicContact CG1-CZ 4.07Å; V277-F358 HydrophobicContact CG2-CB 3.7Å; V277-F358 HydrophobicContact CG2-CD1 4.25Å; V277-F358 HydrophobicContact CG2-CD2 4.03Å; V277-F358 HydrophobicContact CG2-CG 3.74Å; E279-F358 HydrophobicContact CG-CZ 4.05Å; E279-F358 VanDerWaalsContact OE1-CE1 3.31Å; E279-F358 WeakPolarHBondContact OE1-CE1 3.23Å; E279-F358 WeakPolarHBondContact OE1-CZ 3.34Å; N303-F358 VanDerWaalsContact ND2-CD1 3.32Å; N303-F358 WeakPolarHBondContact ND2-CD1 3.5Å; F356-F358 HydrophobicContact CB-CD1 4.09Å; F356-F358 HydrophobicContact CB-CD2 3.97Å; F356-F358 HydrophobicContact CB-CE1 3.69Å; F356-F358 HydrophobicContact CB-CE2 3.55Å; F356-F358 HydrophobicContact CB-CG 4.24Å; F356-F358 HydrophobicContact CB-CZ 3.42Å; F356-F358 VanDerWaalsContact CB-CZ 3.42Å; F356-F358 HydrophobicContact CD2-CE1 4.21Å; F356-F358 AromaticContact CD2-CE2 3.75Å; F356-F358 HydrophobicContact CD2-CE2 3.75Å; F356-F358 AromaticContact CD2-CZ 3.34Å; F356-F358 HydrophobicContact CD2-CZ 3.34Å; F356-F358 HydrophobicContact CE2-CZ 4.23Å; F356-F358 AromaticContact CG-CE1 3.97Å; F356-F358 HydrophobicContact CG-CE1 3.97Å; F356-F358 HydrophobicContact CG-CE2 4.02Å; F356-F358 AromaticContact CG-CZ 3.52Å; F356-F358 HydrophobicContact CG-CZ 3.52Å; F356-F358 PolarHBondContact O-N 3.18Å; F358-V360 PolarHBondContact O-N 2.81Å; F358-F361 HydrophobicContact CB-CD1 4.35Å; F358-F361 HydrophobicContact CB-CD2 4.05Å; F358-F361 HydrophobicContact CB-CE1 3.91Å; F358-F361 HydrophobicContact CB-CE2 3.6Å; F358-F361 HydrophobicContact CB-CG 4.41Å; F358-F361 HydrophobicContact CB-CZ 3.5Å; F358-F361 WeakPolarHBondContact O-CB 3.16Å; F358-F361 WeakPolarHBondContact O-CD1 3.37Å; F358-F361 WeakPolarHBondContact O-CG 3.15Å; F358-F361 PolarHBondContact O-N 3.06Å |
| 359 | D | 94.9 | Very high | 94 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -66.3 | -9.5 | 179.2 | -69.9 | -34.2 | 0 | 0 | 0 | 112.8 | L324 P325 H327 F356 I357 P362 | L324-D359 HydrophobicContact CB-CB 4.33Å; L324-D359 HydrophobicContact CD1-CB 4.43Å; L324-D359 HydrophobicContact CD2-CB 3.95Å; L324-D359 HydrophobicContact CG-CB 4.46Å; P325-D359 HydrophobicContact CG-CB 4.33Å; H327-D359 IonicContact CD2-OD2 3.9Å; H327-D359 PolarHBondContact CD2-OD2 2.85Å; H327-D359 IonicContact CE1-OD2 3.42Å; H327-D359 IonicContact NE2-OD1 3.35Å; H327-D359 IonicContact NE2-OD2 2.65Å; H327-D359 PolarHBondContact NE2-OD2 3.49Å; F356-D359 PolarHBondContact N-OD2 2.92Å; F356-D359 WeakPolarHBondContact O-CB 3.09Å; F356-D359 PolarHBondContact O-N 2.8Å; F356-D359 VanDerWaalsContact O-N 3.1Å; I357-D359 VanDerWaalsContact C-N 3.32Å; I357-D359 PolarHBondContact O-N 3.43Å; D359-P362 WeakPolarHBondContact O-CD 3.24Å |
| 360 | V | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -79.1 | -14.9 | 171 | -62.8 | 0 | 0 | 0 | 0 | 114 | Y203 F309 F313 V317 L324 I357 F358 P362 Y363 | Y203-V360 HydrophobicContact CD1-CG1 4.21Å; Y203-V360 HydrophobicContact CD2-CG1 3.69Å; Y203-V360 HydrophobicContact CE1-CG1 3.81Å; Y203-V360 HydrophobicContact CE1-CG2 4.23Å; Y203-V360 HydrophobicContact CE2-CB 4.33Å; Y203-V360 HydrophobicContact CE2-CG1 3.22Å; Y203-V360 HydrophobicContact CE2-CG2 4.28Å; Y203-V360 HydrophobicContact CG-CG1 4.16Å; Y203-V360 WeakPolarHBondContact OH-CG2 3.35Å; F309-V360 HydrophobicContact CE1-CG2 3.87Å; F309-V360 HydrophobicContact CZ-CG2 4.16Å; F313-V360 HydrophobicContact CE1-CB 4.3Å; F313-V360 HydrophobicContact CE1-CG2 3.92Å; F313-V360 HydrophobicContact CZ-CB 4.14Å; F313-V360 HydrophobicContact CZ-CG2 4.09Å; V317-V360 HydrophobicContact CB-CG1 4.32Å; V317-V360 HydrophobicContact CG1-CB 4.42Å; V317-V360 HydrophobicContact CG1-CG1 4.46Å; V317-V360 HydrophobicContact CG2-CG1 4.27Å; L324-V360 HydrophobicContact CD1-CG1 3.92Å; L324-V360 HydrophobicContact CD2-CG1 3.81Å; L324-V360 HydrophobicContact CG-CG1 4.44Å; I357-V360 WeakPolarHBondContact O-CG2 3.19Å; F358-V360 PolarHBondContact O-N 2.81Å; V360-P362 VanDerWaalsContact C-N 3.28Å; V360-Y363 WeakPolarHBondContact O-CB 3.26Å; V360-Y363 WeakPolarHBondContact O-CD2 3.36Å; V360-Y363 PolarHBondContact O-N 2.86Å |
| 361 | F | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -52.8 | -41 | -174.9 | -65.3 | -4.4 | 0 | 0 | 0 | 112.9 | V253 P275 V277 H307 F358 Y363 S364 F367 | V253-F361 HydrophobicContact CB-CE2 4.36Å; V253-F361 HydrophobicContact CB-CZ 3.94Å; V253-F361 HydrophobicContact CG1-CE2 4.31Å; V253-F361 HydrophobicContact CG1-CZ 4.37Å; V253-F361 HydrophobicContact CG2-CE2 4.47Å; V253-F361 HydrophobicContact CG2-CZ 4.04Å; P275-F361 HydrophobicContact CB-CB 4.19Å; P275-F361 HydrophobicContact CG-CB 4.15Å; P275-F361 WeakPolarHBondContact CG-O 3.09Å; P275-F361 WeakPolarHBondContact O-CB 3.48Å; V277-F361 HydrophobicContact CG2-CD2 3.99Å; V277-F361 HydrophobicContact CG2-CE2 3.53Å; H307-F361 AromaticContact CD2-CE1 3.65Å; H307-F361 AromaticContact CD2-CZ 3.47Å; H307-F361 VanDerWaalsContact CD2-CZ 3.47Å; H307-F361 WeakPolarHBondContact CD2-CZ 3.4Å; H307-F361 AromaticContact NE2-CZ 3.57Å; F358-F361 HydrophobicContact CB-CD1 4.35Å; F358-F361 HydrophobicContact CB-CD2 4.05Å; F358-F361 HydrophobicContact CB-CE1 3.91Å; F358-F361 HydrophobicContact CB-CE2 3.6Å; F358-F361 HydrophobicContact CB-CG 4.41Å; F358-F361 HydrophobicContact CB-CZ 3.5Å; F358-F361 WeakPolarHBondContact O-CB 3.16Å; F358-F361 WeakPolarHBondContact O-CD1 3.37Å; F358-F361 WeakPolarHBondContact O-CG 3.15Å; F358-F361 PolarHBondContact O-N 3.06Å; F361-Y363 PolarHBondContact O-N 3.3Å; F361-S364 VanDerWaalsContact O-CB 3.26Å; F361-S364 WeakPolarHBondContact O-CB 3.42Å; F361-S364 PolarHBondContact O-N 3.48Å; F361-F367 HydrophobicContact CB-CD2 4.37Å; F361-F367 HydrophobicContact CB-CE2 3.95Å; F361-F367 HydrophobicContact CB-CZ 4.41Å; F361-F367 HydrophobicContact CD1-CD2 4.5Å; F361-F367 AromaticContact CD1-CE2 3.63Å; F361-F367 HydrophobicContact CD1-CE2 3.63Å; F361-F367 HydrophobicContact CD1-CZ 4.32Å; F361-F367 HydrophobicContact CD2-CE1 4.49Å; F361-F367 AromaticContact CD2-CE2 3.62Å; F361-F367 HydrophobicContact CD2-CE2 3.62Å; F361-F367 AromaticContact CD2-CZ 3.46Å; F361-F367 HydrophobicContact CD2-CZ 3.46Å; F361-F367 VanDerWaalsContact CD2-CZ 3.46Å; F361-F367 AromaticContact CE1-CE2 3.98Å; F361-F367 HydrophobicContact CE1-CE2 3.98Å; F361-F367 HydrophobicContact CE1-CZ 4.48Å; F361-F367 AromaticContact CE2-CE2 3.94Å; F361-F367 HydrophobicContact CE2-CE2 3.94Å; F361-F367 AromaticContact CE2-CZ 3.65Å; F361-F367 HydrophobicContact CE2-CZ 3.65Å; F361-F367 HydrophobicContact CG-CD2 4.31Å; F361-F367 AromaticContact CG-CE2 3.45Å; F361-F367 HydrophobicContact CG-CE2 3.45Å; F361-F367 VanDerWaalsContact CG-CE2 3.45Å; F361-F367 AromaticContact CG-CZ 3.83Å; F361-F367 HydrophobicContact CG-CZ 3.83Å; F361-F367 HydrophobicContact CZ-CE2 4.13Å; F361-F367 HydrophobicContact CZ-CZ 4.18Å |
| 362 | P | 92.6 | Very high | 94 | Very high | 44 Ų | 44 | 33.8 Ų | 33.8 | 29% | 0.286 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -59.9 | -13.4 | 176.7 | -26.2 | 36.7 | 0 | 0 | 0 | 116 | K274 P275 D359 V360 | K274-P362 HydrophobicContact CB-CB 4.1Å; K274-P362 HydrophobicContact CD-CB 3.77Å; P275-P362 WeakPolarHBondContact O-CD 3.47Å; P275-P362 WeakPolarHBondContact O-CG 3.24Å; D359-P362 WeakPolarHBondContact O-CD 3.24Å; V360-P362 VanDerWaalsContact C-N 3.28Å |
| 363 | Y | 93.9 | Very high | 94.1 | Very high | 83 Ų | 83 | 32.5 Ų | 32.5 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -92.1 | -10.7 | 176.6 | -60.1 | -87.1 | 0 | 0 | 0 | 113.3 | V317 C322 Q323 L324 V360 F361 | V317-Y363 HydrophobicContact CG1-CG 4.5Å; C322-Y363 HydrophobicContact CB-CD1 4.36Å; C322-Y363 HydrophobicContact CB-CE1 3.89Å; C322-Y363 HydrophobicContact CB-CE2 4.13Å; C322-Y363 VanDerWaalsContact SG-CE1 3.55Å; Q323-Y363 PolarHBondContact O-OH 2.66Å; L324-Y363 HydrophobicContact CD2-CE2 4.04Å; V360-Y363 WeakPolarHBondContact O-CB 3.26Å; V360-Y363 WeakPolarHBondContact O-CD2 3.36Å; V360-Y363 PolarHBondContact O-N 2.86Å; F361-Y363 PolarHBondContact O-N 3.3Å |
| 364 | S | 94.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 12% | 0.119 | 15% | 0.153 | C | C | . | . | trans | -68.3 | 136.9 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | D250 F361 K366 F367 | D250-S364 WeakPolarHBondContact OD1-CB 3.41Å; D250-S364 PolarHBondContact OD1-OG 3Å; F361-S364 VanDerWaalsContact O-CB 3.26Å; F361-S364 WeakPolarHBondContact O-CB 3.42Å; F361-S364 PolarHBondContact O-N 3.48Å; S364-K366 VanDerWaalsContact OG-C 3.3Å; S364-K366 PolarHBondContact OG-N 3.02Å; S364-F367 VanDerWaalsContact OG-CA 3.31Å; S364-F367 WeakPolarHBondContact OG-CA 3.35Å; S364-F367 WeakPolarHBondContact OG-CB 3.38Å; S364-F367 PolarHBondContact OG-N 3.34Å | ||
| 365 | K | 92.6 | Very high | 94.6 | Very high | 164 Ų | 164 | 36.5 Ų | 36.5 | 71% | 0.713 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -91.9 | -25.2 | 172.3 | -63.8 | 176.3 | -177.7 | 170.4 | 0 | 111.2 | D250 | D250-K365 WeakPolarHBondContact OD2-CB 3.45Å; D250-K365 PolarHBondContact OD2-N 3.42Å |
| 366 | K | 94.3 | Very high | 94.7 | Very high | 104 Ų | 104 | 37.6 Ų | 37.6 | 45% | 0.452 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -137.2 | 70.6 | -176.2 | -65.4 | 179.3 | -177.1 | 169.5 | 0 | 109.7 | D248 A249 D250 S364 | D248-K366 HydrophobicContact CB-CD 4.39Å; D248-K366 VanDerWaalsContact O-CB 3.3Å; D248-K366 WeakPolarHBondContact O-CB 3.4Å; D248-K366 WeakPolarHBondContact O-CD 3.5Å; D248-K366 IonicContact OD2-NZ 3.19Å; D248-K366 PolarHBondContact OD2-NZ 3.46Å; A249-K366 WeakPolarHBondContact CA-O 3.3Å; A249-K366 WeakPolarHBondContact CB-O 3.45Å; D250-K366 PolarHBondContact N-O 3.34Å; D250-K366 PolarHBondContact OD1-N 2.92Å; D250-K366 VanDerWaalsContact OD1-N 3.12Å; D250-K366 PolarHBondContact OD2-N 3.27Å; S364-K366 VanDerWaalsContact OG-C 3.3Å; S364-K366 PolarHBondContact OG-N 3.02Å |
| 367 | F | 95.6 | Very high | 94.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.4 | -179.6 | -169.9 | -105.7 | 0 | 0 | 0 | 111.7 | C49 C251 V253 I268 P275 F361 S364 V369 | C49-F367 PolarHBondContact SG-O 3.49Å; C251-F367 HydrophobicContact CB-CD2 4.12Å; C251-F367 VanDerWaalsContact O-CA 3.32Å; C251-F367 WeakPolarHBondContact O-CA 3.29Å; V253-F367 HydrophobicContact CB-CZ 4.29Å; V253-F367 HydrophobicContact CG1-CE1 4.13Å; V253-F367 HydrophobicContact CG1-CE2 4.28Å; V253-F367 HydrophobicContact CG1-CZ 3.48Å; V253-F367 VanDerWaalsContact CG1-CZ 3.48Å; I268-F367 HydrophobicContact CG2-CE1 4.25Å; P275-F367 HydrophobicContact CB-CB 4.21Å; P275-F367 HydrophobicContact CB-CD1 3.37Å; P275-F367 HydrophobicContact CB-CD2 4.22Å; P275-F367 HydrophobicContact CB-CE1 3.64Å; P275-F367 HydrophobicContact CB-CE2 4.45Å; P275-F367 HydrophobicContact CB-CG 3.67Å; P275-F367 HydrophobicContact CB-CZ 4.18Å; P275-F367 HydrophobicContact CG-CB 3.83Å; P275-F367 HydrophobicContact CG-CD1 3.97Å; P275-F367 HydrophobicContact CG-CD2 4.19Å; P275-F367 HydrophobicContact CG-CG 3.74Å; F361-F367 HydrophobicContact CB-CD2 4.37Å; F361-F367 HydrophobicContact CB-CE2 3.95Å; F361-F367 HydrophobicContact CB-CZ 4.41Å; F361-F367 HydrophobicContact CD1-CD2 4.5Å; F361-F367 AromaticContact CD1-CE2 3.63Å; F361-F367 HydrophobicContact CD1-CE2 3.63Å; F361-F367 HydrophobicContact CD1-CZ 4.32Å; F361-F367 HydrophobicContact CD2-CE1 4.49Å; F361-F367 AromaticContact CD2-CE2 3.62Å; F361-F367 HydrophobicContact CD2-CE2 3.62Å; F361-F367 AromaticContact CD2-CZ 3.46Å; F361-F367 HydrophobicContact CD2-CZ 3.46Å; F361-F367 VanDerWaalsContact CD2-CZ 3.46Å; F361-F367 AromaticContact CE1-CE2 3.98Å; F361-F367 HydrophobicContact CE1-CE2 3.98Å; F361-F367 HydrophobicContact CE1-CZ 4.48Å; F361-F367 AromaticContact CE2-CE2 3.94Å; F361-F367 HydrophobicContact CE2-CE2 3.94Å; F361-F367 AromaticContact CE2-CZ 3.65Å; F361-F367 HydrophobicContact CE2-CZ 3.65Å; F361-F367 HydrophobicContact CG-CD2 4.31Å; F361-F367 AromaticContact CG-CE2 3.45Å; F361-F367 HydrophobicContact CG-CE2 3.45Å; F361-F367 VanDerWaalsContact CG-CE2 3.45Å; F361-F367 AromaticContact CG-CZ 3.83Å; F361-F367 HydrophobicContact CG-CZ 3.83Å; F361-F367 HydrophobicContact CZ-CE2 4.13Å; F361-F367 HydrophobicContact CZ-CZ 4.18Å; S364-F367 VanDerWaalsContact OG-CA 3.31Å; S364-F367 WeakPolarHBondContact OG-CA 3.35Å; S364-F367 WeakPolarHBondContact OG-CB 3.38Å; S364-F367 PolarHBondContact OG-N 3.34Å; F367-V369 HydrophobicContact CD1-CG2 4.17Å; F367-V369 HydrophobicContact CE1-CG2 3.5Å; F367-V369 HydrophobicContact CZ-CG2 4.27Å |
| 368 | A | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K50 F243 A249 C251 A252 V253 | K50-A368 HydrophobicContact CB-CB 4.26Å; F243-A368 HydrophobicContact CE1-CB 3.75Å; F243-A368 HydrophobicContact CZ-CB 3.93Å; A249-A368 HydrophobicContact CB-CB 3.79Å; C251-A368 PolarHBondContact O-N 2.83Å; C251-A368 VanDerWaalsContact O-N 3.11Å; A252-A368 WeakPolarHBondContact CA-O 3.05Å; A252-A368 HydrophobicContact CB-CB 4.08Å; V253-A368 PolarHBondContact N-O 3.14Å |
| 369 | V | 94 | Very high | 95 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | K50 C51 C52 V253 S255 I268 F367 | K50-V369 PolarHBondContact O-N 3.25Å; C51-V369 VanDerWaalsContact CA-O 3.31Å; C51-V369 WeakPolarHBondContact CA-O 3.44Å; C52-V369 PolarHBondContact N-O 3.47Å; V253-V369 HydrophobicContact CG1-CB 4.47Å; V253-V369 HydrophobicContact CG1-CG1 4.43Å; V253-V369 HydrophobicContact CG1-CG2 3.89Å; V253-V369 WeakPolarHBondContact O-CA 3.47Å; S255-V369 WeakPolarHBondContact OG-CG1 3.32Å; I268-V369 HydrophobicContact CD1-CG1 4.27Å; I268-V369 HydrophobicContact CG2-CG2 3.87Å; F367-V369 HydrophobicContact CD1-CG2 4.17Å; F367-V369 HydrophobicContact CE1-CG2 3.5Å; F367-V369 HydrophobicContact CZ-CG2 4.27Å |
| 370 | L | 93.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 106.8 | 174.2 | 176.7 | 57.1 | 0 | 0 | 0 | 109.9 | C52 R54 W239 F240 F243 V253 K254 S255 V372 | C52-L370 HydrophobicContact CB-CD1 4.18Å; R54-L370 HydrophobicContact CB-CD1 4.22Å; W239-L370 HydrophobicContact CE3-CD1 4.29Å; W239-L370 HydrophobicContact CE3-CD2 3.66Å; W239-L370 HydrophobicContact CH2-CD1 3.84Å; W239-L370 HydrophobicContact CZ3-CD1 3.33Å; W239-L370 HydrophobicContact CZ3-CD2 3.52Å; W239-L370 HydrophobicContact CZ3-CG 4.06Å; F240-L370 HydrophobicContact CB-CD2 4.23Å; F240-L370 HydrophobicContact CD2-CB 4.26Å; F240-L370 HydrophobicContact CD2-CD2 3.61Å; F240-L370 HydrophobicContact CE2-CB 4.21Å; F240-L370 HydrophobicContact CE2-CD2 4.37Å; F240-L370 HydrophobicContact CG-CD2 4.25Å; F243-L370 HydrophobicContact CD1-CB 4.16Å; F243-L370 HydrophobicContact CD1-CD2 4.41Å; F243-L370 HydrophobicContact CE1-CB 3.96Å; V253-L370 PolarHBondContact O-N 3.3Å; K254-L370 CarbonylContact C-O 3.51Å; K254-L370 VanDerWaalsContact CA-O 3.23Å; K254-L370 WeakPolarHBondContact CA-O 3.41Å; S255-L370 PolarHBondContact N-O 3.44Å; L370-V372 HydrophobicContact CD2-CG1 4.03Å; L370-V372 HydrophobicContact CG-CG1 3.81Å; L370-V372 PolarHBondContact O-N 2.93Å |
| 371 | E | 93.4 | Very high | 95 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.6 | 170.1 | -172.8 | 179.8 | 103.2 | 0 | 0 | 109.1 | C52 N53 R54 S255 Q301 | C52-E371 PolarHBondContact O-N 3.35Å; N53-E371 HydrophobicContact CB-CB 4.3Å; N53-E371 PolarHBondContact ND2-OE1 2.84Å; R54-E371 PolarHBondContact N-O 3.45Å; S255-E371 WeakPolarHBondContact O-CA 3.35Å; S255-E371 VanDerWaalsContact OG-CA 3.3Å; S255-E371 WeakPolarHBondContact OG-CA 3.25Å; Q301-E371 PolarHBondContact NE2-OE2 3.06Å; Q301-E371 PolarHBondContact OE1-OE2 3.41Å |
| 372 | V | 94.6 | Very high | 94.9 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -112.3 | 158.9 | 179.4 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | K254 S255 V256 I304 L370 R374 E377 | K254-V372 HydrophobicContact CB-CG1 4.44Å; K254-V372 HydrophobicContact CB-CG2 4.37Å; K254-V372 HydrophobicContact CD-CG1 3.97Å; K254-V372 HydrophobicContact CD-CG2 4.47Å; K254-V372 HydrophobicContact CG-CG1 4.23Å; S255-V372 WeakPolarHBondContact O-CG2 3.45Å; S255-V372 PolarHBondContact O-N 2.8Å; V256-V372 HydrophobicContact CG1-CG2 4Å; I304-V372 HydrophobicContact CD1-CG2 4.23Å; L370-V372 HydrophobicContact CD2-CG1 4.03Å; L370-V372 HydrophobicContact CG-CG1 3.81Å; L370-V372 PolarHBondContact O-N 2.93Å; V372-R374 PolarHBondContact O-N 3.45Å; V372-E377 HydrophobicContact CB-CB 4.31Å; V372-E377 HydrophobicContact CB-CG 4.24Å; V372-E377 WeakPolarHBondContact CG1-OE1 3.36Å; V372-E377 HydrophobicContact CG2-CB 3.76Å; V372-E377 HydrophobicContact CG2-CG 4.24Å | ||
| 373 | N | 94 | Very high | 94.9 | Very high | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | trans | -68.4 | 123.4 | 173.1 | -177 | -41 | 0 | 0 | 0 | 109.8 | E55 E375 E376 E377 | E55-N373 HydrophobicContact CG-CB 4.43Å; E55-N373 WeakPolarHBondContact OE1-CB 3.22Å; E55-N373 PolarHBondContact OE1-ND2 2.89Å; N373-E375 PolarHBondContact O-N 3.44Å; N373-E375 WeakPolarHBondContact OD1-CA 3.3Å; N373-E375 VanDerWaalsContact OD1-CB 3.3Å; N373-E375 WeakPolarHBondContact OD1-CB 3.46Å; N373-E375 PolarHBondContact OD1-N 3.24Å; N373-E376 HydrophobicContact CB-CB 4.24Å; N373-E376 HydrophobicContact CB-CG 4.16Å; N373-E376 PolarHBondContact O-N 3.43Å; N373-E376 PolarHBondContact OD1-N 2.82Å; N373-E377 PolarHBondContact O-N 3.2Å; N373-E377 VanDerWaalsContact O-N 3.11Å | ||
| 374 | R | 95.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.4 | -47.3 | 177.7 | 175.6 | -178.8 | -68.1 | -97.9 | 6.1 | 112.5 | V256 E257 H259 E263 V372 E376 E377 F378 | V256-R374 HydrophobicContact CB-CB 4.29Å; V256-R374 HydrophobicContact CG1-CB 4.2Å; E257-R374 PolarHBondContact O-NE 3.06Å; E257-R374 PolarHBondContact O-NH2 3.42Å; H259-R374 PolarHBondContact CD2-NE 3.04Å; H259-R374 PolarHBondContact NE2-NE 2.87Å; E263-R374 VanDerWaalsContact CD-NH2 3.32Å; E263-R374 IonicContact OE1-CZ 2.71Å; E263-R374 VanDerWaalsContact OE1-CZ 3.24Å; E263-R374 IonicContact OE1-NH1 2.63Å; E263-R374 PolarHBondContact OE1-NH1 2.9Å; E263-R374 IonicContact OE1-NH2 2.68Å; E263-R374 PolarHBondContact OE1-NH2 3.07Å; E263-R374 IonicContact OE2-CZ 2.69Å; E263-R374 IonicContact OE2-NH2 3.38Å; E263-R374 PolarHBondContact OE2-NH2 3.13Å; V372-R374 PolarHBondContact O-N 3.45Å; R374-E376 PolarHBondContact O-N 2.93Å; R374-E376 VanDerWaalsContact O-N 3.14Å; R374-E377 PolarHBondContact O-N 3.22Å; R374-F378 HydrophobicContact CG-CB 4.37Å; R374-F378 HydrophobicContact CG-CD1 4.39Å; R374-F378 CarbonylContact O-C 3.5Å; R374-F378 WeakPolarHBondContact O-CA 3.33Å; R374-F378 PolarHBondContact O-N 2.65Å; R374-F378 VanDerWaalsContact O-O 3.11Å |
| 375 | E | 96.2 | Very high | 94.7 | Very high | 126 Ų | 126 | 39 Ų | 39 | 59% | 0.589 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.9 | -14.3 | -177.6 | -54.7 | -179.2 | 174.6 | 0 | 0 | 112.9 | N373 R405 | N373-E375 PolarHBondContact O-N 3.44Å; N373-E375 WeakPolarHBondContact OD1-CA 3.3Å; N373-E375 VanDerWaalsContact OD1-CB 3.3Å; N373-E375 WeakPolarHBondContact OD1-CB 3.46Å; N373-E375 PolarHBondContact OD1-N 3.24Å; E375-R405 PolarHBondContact O-NH2 3.03Å |
| 376 | E | 96.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -103 | -24 | 177.1 | -65.6 | -163.7 | 177.6 | 0 | 0 | 114.4 | R234 N373 R374 L402 R405 | R234-E376 IonicContact CZ-OE2 4Å; R234-E376 IonicContact NH2-OE2 3.53Å; R234-E376 PolarHBondContact NH2-OE2 3.38Å; N373-E376 HydrophobicContact CB-CB 4.24Å; N373-E376 HydrophobicContact CB-CG 4.16Å; N373-E376 PolarHBondContact O-N 3.43Å; N373-E376 PolarHBondContact OD1-N 2.82Å; R374-E376 PolarHBondContact O-N 2.93Å; R374-E376 VanDerWaalsContact O-N 3.14Å; E376-L402 HydrophobicContact CB-CD1 4.37Å; E376-L402 HydrophobicContact CG-CD1 4.07Å; E376-R405 IonicContact OE1-NH1 2.97Å; E376-R405 PolarHBondContact OE1-NH1 3.32Å |
| 377 | E | 97.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -136.8 | -6.1 | -165.2 | -62.7 | -151 | -138.7 | 0 | 0 | 114.6 | R54 N230 R234 K254 V372 N373 R374 | R54-E377 IonicContact CZ-OE1 3.09Å; R54-E377 IonicContact NH1-OE1 2.56Å; R54-E377 PolarHBondContact NH1-OE1 3.05Å; N230-E377 PolarHBondContact ND2-O 3.14Å; R234-E377 HydrophobicContact CG-CG 4.31Å; K254-E377 IonicContact NZ-OE1 3.69Å; K254-E377 IonicContact NZ-OE2 3.04Å; K254-E377 PolarHBondContact NZ-OE2 3.01Å; V372-E377 HydrophobicContact CB-CB 4.31Å; V372-E377 HydrophobicContact CB-CG 4.24Å; V372-E377 WeakPolarHBondContact CG1-OE1 3.36Å; V372-E377 HydrophobicContact CG2-CB 3.76Å; V372-E377 HydrophobicContact CG2-CG 4.24Å; N373-E377 PolarHBondContact O-N 3.2Å; N373-E377 VanDerWaalsContact O-N 3.11Å; R374-E377 PolarHBondContact O-N 3.22Å |
| 378 | F | 97.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 10% | 0.101 | 22% | 0.217 | C | C | . | . | trans | -143.9 | 105.5 | -177.3 | -171.7 | -121.6 | 0 | 0 | 0 | 114.1 | V256 I265 I304 R374 P380 | V256-F378 HydrophobicContact CG1-CB 3.86Å; V256-F378 HydrophobicContact CG1-CD1 4.43Å; V256-F378 HydrophobicContact CG1-CG 4.37Å; V256-F378 HydrophobicContact CG2-CD1 3.93Å; V256-F378 HydrophobicContact CG2-CE1 4.35Å; I265-F378 HydrophobicContact CD1-CE1 4.02Å; I265-F378 HydrophobicContact CD1-CZ 4.11Å; I304-F378 HydrophobicContact CB-CD2 3.62Å; I304-F378 HydrophobicContact CB-CE2 3.73Å; I304-F378 HydrophobicContact CB-CG 4.16Å; I304-F378 HydrophobicContact CB-CZ 4.34Å; I304-F378 HydrophobicContact CD1-CB 4.36Å; I304-F378 HydrophobicContact CD1-CD2 4.4Å; I304-F378 HydrophobicContact CG2-CB 4.2Å; I304-F378 HydrophobicContact CG2-CD1 3.74Å; I304-F378 HydrophobicContact CG2-CD2 3.48Å; I304-F378 VanDerWaalsContact CG2-CD2 3.48Å; I304-F378 HydrophobicContact CG2-CE1 3.87Å; I304-F378 HydrophobicContact CG2-CE2 3.63Å; I304-F378 HydrophobicContact CG2-CG 3.54Å; I304-F378 HydrophobicContact CG2-CZ 3.82Å; R374-F378 HydrophobicContact CG-CB 4.37Å; R374-F378 HydrophobicContact CG-CD1 4.39Å; R374-F378 CarbonylContact O-C 3.5Å; R374-F378 WeakPolarHBondContact O-CA 3.33Å; R374-F378 PolarHBondContact O-N 2.65Å; R374-F378 VanDerWaalsContact O-O 3.11Å; F378-P380 HydrophobicContact CE1-CG 4.02Å; F378-P380 HydrophobicContact CE2-CB 3.91Å; F378-P380 HydrophobicContact CE2-CG 3.94Å; F378-P380 HydrophobicContact CZ-CB 4Å; F378-P380 HydrophobicContact CZ-CG 3.57Å | ||
| 379 | S | 97.3 | Very high | 94 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | trans | -141 | 97.2 | 163.9 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | N230 I231 C395 D398 | N230-S379 PolarHBondContact OD1-N 2.66Å; N230-S379 PolarHBondContact OD1-O 3.49Å; I231-S379 PolarHBondContact N-O 3.01Å; I231-S379 VanDerWaalsContact N-O 3.15Å; S379-C395 WeakPolarHBondContact OG-CA 3.28Å; S379-D398 WeakPolarHBondContact CB-OD2 3.3Å; S379-D398 PolarHBondContact OG-OD2 2.86Å | ||
| 380 | P | 96 | Very high | 94 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 143.4 | -172.6 | 33.5 | -35.7 | 0 | 0 | 0 | 112.5 | D229 F378 K382 D390 C395 | D229-P380 CarbonylContact O-C 3.54Å; D229-P380 VanDerWaalsContact O-CA 3.29Å; D229-P380 WeakPolarHBondContact O-CA 3.36Å; F378-P380 HydrophobicContact CE1-CG 4.02Å; F378-P380 HydrophobicContact CE2-CB 3.91Å; F378-P380 HydrophobicContact CE2-CG 3.94Å; F378-P380 HydrophobicContact CZ-CB 4Å; F378-P380 HydrophobicContact CZ-CG 3.57Å; P380-K382 HydrophobicContact CB-CG 4.12Å; P380-D390 HydrophobicContact CG-CB 4.12Å; P380-D390 WeakPolarHBondContact CG-OD1 3.32Å; P380-D390 CarbonylContact O-C 3.52Å; P380-D390 VanDerWaalsContact O-C 3.3Å; P380-D390 WeakPolarHBondContact O-CA 3.32Å; P380-D390 VanDerWaalsContact O-CB 3.24Å; P380-D390 WeakPolarHBondContact O-CB 3.25Å; P380-C395 PolarHBondContact O-SG 3.47Å |
| 381 | L | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -102.5 | 94.6 | 174.7 | -177.1 | 67.2 | 0 | 0 | 0 | 109.7 | L91 K97 Y100 V102 L110 D229 P392 | L91-L381 HydrophobicContact CD1-CD2 3.77Å; L91-L381 HydrophobicContact CD1-CG 3.88Å; L91-L381 HydrophobicContact CD2-CD1 3.94Å; L91-L381 HydrophobicContact CD2-CG 3.98Å; K97-L381 PolarHBondContact NZ-O 3.14Å; Y100-L381 HydrophobicContact CD1-CD2 3.6Å; Y100-L381 HydrophobicContact CE1-CD2 4.22Å; Y100-L381 HydrophobicContact CG-CD2 3.87Å; V102-L381 HydrophobicContact CG1-CD1 4.36Å; V102-L381 HydrophobicContact CG1-CD2 3.96Å; L110-L381 HydrophobicContact CD1-CD2 3.93Å; D229-L381 HydrophobicContact CB-CB 4.46Å; D229-L381 WeakPolarHBondContact CB-O 3.42Å; D229-L381 PolarHBondContact O-N 3.45Å; L381-P392 HydrophobicContact CD1-CB 4.49Å; L381-P392 HydrophobicContact CD1-CG 3.94Å | ||
| 382 | K | 91.7 | Very high | 94.2 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | trans | -116.8 | -33.7 | -174.6 | -58.4 | -65.1 | -176.3 | 175.2 | 0 | 113.1 | R90 D229 P380 D390 | R90-K382 WeakPolarHBondContact CB-O 3.4Å; D229-K382 IonicContact OD1-NZ 3.74Å; D229-K382 PolarHBondContact OD1-NZ 3.48Å; D229-K382 WeakPolarHBondContact OD2-CD 3.17Å; D229-K382 WeakPolarHBondContact OD2-CE 3.35Å; D229-K382 IonicContact OD2-NZ 2.77Å; D229-K382 PolarHBondContact OD2-NZ 2.74Å; P380-K382 HydrophobicContact CB-CG 4.12Å; K382-D390 HydrophobicContact CB-CB 4.11Å; K382-D390 HydrophobicContact CG-CB 4.24Å; K382-D390 PolarHBondContact N-O 2.92Å | ||
| 383 | N | 92.5 | Very high | 94.3 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 25% | 0.246 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -126.8 | 157.3 | -167 | -51.7 | -52.3 | 0 | 0 | 0 | 111.8 | L91 A387 V389 D390 C391 P392 | L91-N383 VanDerWaalsContact CD2-C 3.46Å; L91-N383 WeakPolarHBondContact CD2-O 3.44Å; N383-A387 HydrophobicContact CB-CB 3.49Å; N383-A387 VanDerWaalsContact CB-CB 3.49Å; N383-V389 PolarHBondContact ND2-O 2.85Å; N383-V389 VanDerWaalsContact ND2-O 3.15Å; N383-D390 PolarHBondContact N-O 3.25Å; N383-C391 VanDerWaalsContact O-CA 3.25Å; N383-C391 WeakPolarHBondContact O-CA 3.44Å; N383-C391 WeakPolarHBondContact O-CB 3.04Å; N383-P392 WeakPolarHBondContact O-CD 3.16Å |
| 384 | A | 91.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 47.3 Ų | 47.3 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | trans | -65.7 | 162.8 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | R90 S386 A387 C391 | R90-A384 PolarHBondContact O-N 3.13Å; A384-S386 PolarHBondContact O-N 2.88Å; A384-A387 WeakPolarHBondContact O-CB 3.21Å; A384-A387 PolarHBondContact O-N 2.97Å; A384-C391 WeakPolarHBondContact O-CB 3.25Å | ||
| 385 | D | 93.7 | Very high | 94.5 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -58.2 | -23.3 | -178.3 | -81.8 | -53.8 | 0 | 0 | 0 | 114.4 | A387 K388 C391 T393 | D385-A387 PolarHBondContact O-N 2.88Å; D385-A387 VanDerWaalsContact O-N 3.14Å; D385-K388 PolarHBondContact O-N 3.46Å; D385-C391 PolarHBondContact OD1-SG 2.89Å; D385-T393 VanDerWaalsContact CG-OG1 3.31Å; D385-T393 WeakPolarHBondContact OD1-CB 3.34Å; D385-T393 PolarHBondContact OD1-N 3.28Å; D385-T393 PolarHBondContact OD1-OG1 3.15Å |
| 386 | S | 92.2 | Very high | 94.6 | Very high | 111 Ų | 111 | 42.2 Ų | 42.2 | 78% | 0.776 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -58.1 | -25.1 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | A384 | A384-S386 PolarHBondContact O-N 2.88Š|
| 387 | A | 90 | Very high | 94.6 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 40% | 0.397 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -79.7 | -15.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N383 A384 D385 V389 | N383-A387 HydrophobicContact CB-CB 3.49Å; N383-A387 VanDerWaalsContact CB-CB 3.49Å; A384-A387 WeakPolarHBondContact O-CB 3.21Å; A384-A387 PolarHBondContact O-N 2.97Å; D385-A387 PolarHBondContact O-N 2.88Å; D385-A387 VanDerWaalsContact O-N 3.14Å; A387-V389 PolarHBondContact O-N 3.4Å |
| 388 | K | 90.6 | Very high | 94.6 | Very high | 170 Ų | 170 | 47 Ų | 47 | 74% | 0.739 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 59.8 | -7.6 | -178.1 | -54.7 | -179.4 | 178.6 | -179.4 | 0 | 116.8 | D385 | D385-K388 PolarHBondContact O-N 3.46Š|
| 389 | V | 90.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -133 | 141.4 | -178 | -177 | 0 | 0 | 0 | 0 | 108.7 | N383 A387 C391 | N383-V389 PolarHBondContact ND2-O 2.85Å; N383-V389 VanDerWaalsContact ND2-O 3.15Å; A387-V389 PolarHBondContact O-N 3.4Å; V389-C391 PolarHBondContact O-N 3.44Å |
| 390 | D | 93.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | S | Bend | trans | 51.6 | 43.2 | -177.9 | -53.9 | -24.8 | 0 | 0 | 0 | 112.1 | P380 K382 N383 S394 | P380-D390 HydrophobicContact CG-CB 4.12Å; P380-D390 WeakPolarHBondContact CG-OD1 3.32Å; P380-D390 CarbonylContact O-C 3.52Å; P380-D390 VanDerWaalsContact O-C 3.3Å; P380-D390 WeakPolarHBondContact O-CA 3.32Å; P380-D390 VanDerWaalsContact O-CB 3.24Å; P380-D390 WeakPolarHBondContact O-CB 3.25Å; K382-D390 HydrophobicContact CB-CB 4.11Å; K382-D390 HydrophobicContact CG-CB 4.24Å; K382-D390 PolarHBondContact N-O 2.92Å; N383-D390 PolarHBondContact N-O 3.25Å; D390-S394 PolarHBondContact N-OG 3.16Å |
| 391 | C | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -126 | 170 | -172.5 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | N383 A384 D385 V389 T393 S394 C395 | N383-C391 VanDerWaalsContact O-CA 3.25Å; N383-C391 WeakPolarHBondContact O-CA 3.44Å; N383-C391 WeakPolarHBondContact O-CB 3.04Å; A384-C391 WeakPolarHBondContact O-CB 3.25Å; D385-C391 PolarHBondContact OD1-SG 2.89Å; V389-C391 PolarHBondContact O-N 3.44Å; C391-T393 PolarHBondContact O-N 3.33Å; C391-T393 VanDerWaalsContact O-N 3.17Å; C391-S394 PolarHBondContact N-OG 3.13Å; C391-S394 PolarHBondContact O-N 2.89Å; C391-S394 VanDerWaalsContact O-N 3.08Å; C391-S394 PolarHBondContact O-OG 3.13Å; C391-C395 WeakPolarHBondContact O-CB 3.39Å; C391-C395 PolarHBondContact O-N 3.29Å; C391-C395 PolarHBondContact O-SG 3.25Å |
| 392 | P | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -51.6 | -42.4 | -178.7 | -27 | 33.9 | 0 | 0 | 0 | 113.3 | Y100 V102 L381 N383 R396 | Y100-P392 HydrophobicContact CE1-CB 4.12Å; Y100-P392 HydrophobicContact CE1-CG 3.61Å; Y100-P392 VanDerWaalsContact OH-CG 3.28Å; Y100-P392 WeakPolarHBondContact OH-CG 3.38Å; V102-P392 HydrophobicContact CB-CB 4.33Å; L381-P392 HydrophobicContact CD1-CB 4.49Å; L381-P392 HydrophobicContact CD1-CG 3.94Å; N383-P392 WeakPolarHBondContact O-CD 3.16Å; P392-R396 VanDerWaalsContact O-CB 3.23Å; P392-R396 WeakPolarHBondContact O-CB 3.42Å; P392-R396 PolarHBondContact O-N 3.4Å |
| 393 | T | 96.7 | Very high | 95.2 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 41% | 0.405 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 178 | -61.7 | 0 | 0 | 0 | 0 | 113 | D385 C391 R396 R397 | D385-T393 VanDerWaalsContact CG-OG1 3.31Å; D385-T393 WeakPolarHBondContact OD1-CB 3.34Å; D385-T393 PolarHBondContact OD1-N 3.28Å; D385-T393 PolarHBondContact OD1-OG1 3.15Å; C391-T393 PolarHBondContact O-N 3.33Å; C391-T393 VanDerWaalsContact O-N 3.17Å; T393-R396 PolarHBondContact OG1-NH2 3.36Å; T393-R397 WeakPolarHBondContact O-CB 3.36Å; T393-R397 PolarHBondContact O-N 2.96Å |
| 394 | S | 96.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 177.5 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | D390 C391 R396 R397 D398 | D390-S394 PolarHBondContact N-OG 3.16Å; C391-S394 PolarHBondContact N-OG 3.13Å; C391-S394 PolarHBondContact O-N 2.89Å; C391-S394 VanDerWaalsContact O-N 3.08Å; C391-S394 PolarHBondContact O-OG 3.13Å; S394-R396 PolarHBondContact O-N 2.68Å; S394-R397 PolarHBondContact O-N 3.15Å; S394-D398 WeakPolarHBondContact O-CB 3.46Å; S394-D398 PolarHBondContact O-N 3.29Å |
| 395 | C | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 175.6 | -71 | 0 | 0 | 0 | 0 | 112.4 | V102 I231 S379 P380 C391 D398 L399 | V102-C395 HydrophobicContact CG1-CB 4.37Å; I231-C395 HydrophobicContact CB-CB 4.44Å; I231-C395 HydrophobicContact CD1-CB 4.28Å; I231-C395 HydrophobicContact CG2-CB 3.88Å; S379-C395 WeakPolarHBondContact OG-CA 3.28Å; P380-C395 PolarHBondContact O-SG 3.47Å; C391-C395 WeakPolarHBondContact O-CB 3.39Å; C391-C395 PolarHBondContact O-N 3.29Å; C391-C395 PolarHBondContact O-SG 3.25Å; C395-D398 PolarHBondContact O-N 3.33Å; C395-L399 WeakPolarHBondContact O-CB 3.35Å; C395-L399 PolarHBondContact O-N 3Å |
| 396 | R | 97.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 23% | 0.23 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 178.1 | -179.8 | 167.9 | 69.9 | -106.9 | -4.6 | 111.7 | V102 G103 L104 P392 T393 S394 D398 L399 Y400 | V102-R396 HydrophobicContact CG2-CB 4.44Å; V102-R396 PolarHBondContact O-NH1 2.78Å; G103-R396 WeakPolarHBondContact O-CD 3.28Å; L104-R396 HydrophobicContact CD2-CB 4.47Å; L104-R396 HydrophobicContact CD2-CG 4Å; P392-R396 VanDerWaalsContact O-CB 3.23Å; P392-R396 WeakPolarHBondContact O-CB 3.42Å; P392-R396 PolarHBondContact O-N 3.4Å; T393-R396 PolarHBondContact OG1-NH2 3.36Å; S394-R396 PolarHBondContact O-N 2.68Å; R396-D398 PolarHBondContact O-N 3.23Å; R396-L399 PolarHBondContact O-N 3.11Å; R396-Y400 VanDerWaalsContact CD-OH 3.29Å; R396-Y400 WeakPolarHBondContact CD-OH 3.38Å; R396-Y400 HydrophobicContact CG-CD1 4.47Å; R396-Y400 HydrophobicContact CG-CD2 4.16Å; R396-Y400 HydrophobicContact CG-CE1 3.84Å; R396-Y400 HydrophobicContact CG-CE2 3.48Å; R396-Y400 VanDerWaalsContact CG-CE2 3.48Å; R396-Y400 WeakPolarHBondContact CG-OH 3.44Å; R396-Y400 WeakPolarHBondContact O-CD1 3.39Å; R396-Y400 PolarHBondContact O-N 2.9Å |
| 397 | R | 96.8 | Very high | 96 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.9 | -47 | 175.5 | 178.3 | -159.9 | 65.2 | -157.8 | -3.7 | 111.6 | T393 S394 L399 Y400 N401 | T393-R397 WeakPolarHBondContact O-CB 3.36Å; T393-R397 PolarHBondContact O-N 2.96Å; S394-R397 PolarHBondContact O-N 3.15Å; R397-L399 VanDerWaalsContact C-N 3.35Å; R397-L399 PolarHBondContact O-N 3.38Å; R397-Y400 PolarHBondContact O-N 3.13Å; R397-N401 PolarHBondContact O-N 3.15Å; R397-N401 PolarHBondContact O-ND2 3.2Å |
| 398 | D | 97.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | -176.3 | -59.8 | -15.6 | 0 | 0 | 0 | 111 | L232 S379 S394 C395 R396 N401 L402 | L232-D398 HydrophobicContact CD1-CB 4.3Å; S379-D398 WeakPolarHBondContact CB-OD2 3.3Å; S379-D398 PolarHBondContact OG-OD2 2.86Å; S394-D398 WeakPolarHBondContact O-CB 3.46Å; S394-D398 PolarHBondContact O-N 3.29Å; C395-D398 PolarHBondContact O-N 3.33Å; R396-D398 PolarHBondContact O-N 3.23Å; D398-N401 PolarHBondContact O-N 3.41Å; D398-L402 PolarHBondContact O-N 3.21Å |
| 399 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.9 | -169.9 | 75 | 0 | 0 | 0 | 111.9 | L104 I231 L232 C395 R396 R397 N401 L402 H403 | L104-L399 HydrophobicContact CD1-CD2 3.55Å; L104-L399 HydrophobicContact CD2-CD2 3.64Å; L104-L399 HydrophobicContact CG-CD2 4.26Å; I231-L399 HydrophobicContact CD1-CB 4.42Å; I231-L399 HydrophobicContact CD1-CD2 4.05Å; I231-L399 HydrophobicContact CG1-CD1 4.49Å; I231-L399 HydrophobicContact CG1-CD2 4.41Å; L232-L399 HydrophobicContact CD2-CB 4.2Å; L232-L399 HydrophobicContact CD2-CD1 3.68Å; C395-L399 WeakPolarHBondContact O-CB 3.35Å; C395-L399 PolarHBondContact O-N 3Å; R396-L399 PolarHBondContact O-N 3.11Å; R397-L399 VanDerWaalsContact C-N 3.35Å; R397-L399 PolarHBondContact O-N 3.38Å; L399-N401 VanDerWaalsContact C-N 3.32Å; L399-N401 PolarHBondContact O-N 3.46Å; L399-L402 PolarHBondContact O-N 2.84Å; L399-H403 WeakPolarHBondContact O-CB 3.18Å; L399-H403 PolarHBondContact O-N 2.86Å |
| 400 | Y | 97.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.6 | -65.9 | -13.3 | 0 | 0 | 0 | 112.1 | L104 P105 R396 R397 L402 H403 R404 V423 C424 | L104-Y400 HydrophobicContact CD2-CE1 3.84Å; P105-Y400 WeakPolarHBondContact CD-OH 3.33Å; R396-Y400 VanDerWaalsContact CD-OH 3.29Å; R396-Y400 WeakPolarHBondContact CD-OH 3.38Å; R396-Y400 HydrophobicContact CG-CD1 4.47Å; R396-Y400 HydrophobicContact CG-CD2 4.16Å; R396-Y400 HydrophobicContact CG-CE1 3.84Å; R396-Y400 HydrophobicContact CG-CE2 3.48Å; R396-Y400 VanDerWaalsContact CG-CE2 3.48Å; R396-Y400 WeakPolarHBondContact CG-OH 3.44Å; R396-Y400 WeakPolarHBondContact O-CD1 3.39Å; R396-Y400 PolarHBondContact O-N 2.9Å; R397-Y400 PolarHBondContact O-N 3.13Å; Y400-L402 PolarHBondContact O-N 3.26Å; Y400-H403 PolarHBondContact O-N 3.05Å; Y400-R404 WeakPolarHBondContact O-CB 3.5Å; Y400-R404 PolarHBondContact O-N 3.06Å; Y400-V423 HydrophobicContact CD2-CG2 4.39Å; Y400-V423 HydrophobicContact CE1-CG1 4.26Å; Y400-V423 HydrophobicContact CE2-CB 4.18Å; Y400-V423 HydrophobicContact CE2-CG1 4Å; Y400-V423 HydrophobicContact CE2-CG2 3.86Å; Y400-C424 WeakPolarHBondContact CA-O 3.44Å; Y400-C424 VanDerWaalsContact CD1-O 3.23Å; Y400-C424 WeakPolarHBondContact CD1-O 3.14Å |
| 401 | N | 97 | Very high | 96.7 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 32% | 0.321 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 177 | -74.7 | -22.4 | 0 | 0 | 0 | 112 | R397 D398 L399 R405 | R397-N401 PolarHBondContact O-N 3.15Å; R397-N401 PolarHBondContact O-ND2 3.2Å; D398-N401 PolarHBondContact O-N 3.41Å; L399-N401 VanDerWaalsContact C-N 3.32Å; L399-N401 PolarHBondContact O-N 3.46Å; N401-R405 WeakPolarHBondContact O-CG 3.48Å; N401-R405 PolarHBondContact O-N 3.14Å; N401-R405 VanDerWaalsContact O-N 3.11Å |
| 402 | L | 98.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -52.2 | 174.6 | 177.7 | 61.5 | 0 | 0 | 0 | 111.2 | L232 E376 D398 L399 Y400 R404 R405 W406 | L232-L402 HydrophobicContact CD2-CD2 3.89Å; E376-L402 HydrophobicContact CB-CD1 4.37Å; E376-L402 HydrophobicContact CG-CD1 4.07Å; D398-L402 PolarHBondContact O-N 3.21Å; L399-L402 PolarHBondContact O-N 2.84Å; Y400-L402 PolarHBondContact O-N 3.26Å; L402-R404 VanDerWaalsContact C-N 3.35Å; L402-R404 PolarHBondContact O-N 2.81Å; L402-R405 WeakPolarHBondContact O-CB 3.38Å; L402-R405 PolarHBondContact O-N 2.65Å; L402-W406 HydrophobicContact CD1-CZ2 3.83Å; L402-W406 HydrophobicContact CD2-CH2 4.09Å; L402-W406 HydrophobicContact CD2-CZ2 3.67Å; L402-W406 HydrophobicContact CG-CD2 4.37Å; L402-W406 HydrophobicContact CG-CH2 4.32Å; L402-W406 HydrophobicContact CG-CZ2 3.68Å; L402-W406 PolarHBondContact O-N 3Å; L402-W406 VanDerWaalsContact O-N 3.09Å |
| 403 | H | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | -178.8 | -69.9 | 170.8 | 0 | 0 | 0 | 112.8 | L399 Y400 W406 V407 C424 E425 V426 | L399-H403 WeakPolarHBondContact O-CB 3.18Å; L399-H403 PolarHBondContact O-N 2.86Å; Y400-H403 PolarHBondContact O-N 3.05Å; H403-W406 AromaticContact CD2-CE3 3.59Å; H403-W406 AromaticContact CD2-CZ3 3.5Å; H403-W406 VanDerWaalsContact CD2-CZ3 3.5Å; H403-W406 WeakPolarHBondContact CD2-CZ3 3.32Å; H403-W406 AromaticContact NE2-CZ3 3.76Å; H403-W406 PolarHBondContact O-N 3.4Å; H403-V407 WeakPolarHBondContact O-CG2 3.49Å; H403-V407 PolarHBondContact O-N 2.92Å; H403-C424 HydrophobicContact CB-CB 4.36Å; H403-C424 WeakPolarHBondContact CB-O 3.49Å; H403-E425 WeakPolarHBondContact ND1-CA 3.37Å; H403-V426 HydrophobicContact CB-CB 4.4Å; H403-V426 HydrophobicContact CB-CG2 3.99Å; H403-V426 PolarHBondContact CE1-N 2.79Å; H403-V426 PolarHBondContact CE1-O 3.5Å; H403-V426 PolarHBondContact ND1-N 3.48Å |
| 404 | R | 96.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 25% | 0.249 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -50.6 | 170.7 | -176.4 | -174.9 | 69 | 85.4 | 5.4 | 110.5 | Y400 L402 W406 V407 E408 F415 I422 C424 | Y400-R404 WeakPolarHBondContact O-CB 3.5Å; Y400-R404 PolarHBondContact O-N 3.06Å; L402-R404 VanDerWaalsContact C-N 3.35Å; L402-R404 PolarHBondContact O-N 2.81Å; R404-W406 VanDerWaalsContact C-N 3.29Å; R404-W406 PolarHBondContact O-N 2.8Å; R404-V407 PolarHBondContact O-N 2.75Å; R404-E408 HydrophobicContact CG-CG 4.24Å; R404-E408 IonicContact CZ-OE1 3.1Å; R404-E408 IonicContact CZ-OE2 2.64Å; R404-E408 IonicContact NH1-OE1 4Å; R404-E408 PolarHBondContact NH1-OE1 2.99Å; R404-E408 IonicContact NH1-OE2 3.49Å; R404-E408 PolarHBondContact NH1-OE2 3.38Å; R404-E408 WeakPolarHBondContact O-CB 3.43Å; R404-E408 VanDerWaalsContact O-CG 3.3Å; R404-E408 WeakPolarHBondContact O-CG 3.37Å; R404-E408 PolarHBondContact O-N 3.38Å; R404-F415 HydrophobicContact CB-CE2 4.41Å; R404-F415 HydrophobicContact CG-CD2 3.59Å; R404-F415 HydrophobicContact CG-CE2 3.75Å; R404-F415 HydrophobicContact CG-CG 4.45Å; R404-I422 HydrophobicContact CG-CG2 4.39Å; R404-C424 HydrophobicContact CB-CB 4.23Å |
| 405 | R | 96.2 | Very high | 96 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 23% | 0.23 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -39.9 | 178.5 | -74 | -174.1 | -67.9 | 133.2 | -8.7 | 112.2 | E375 E376 N401 L402 A409 | E375-R405 PolarHBondContact O-NH2 3.03Å; E376-R405 IonicContact OE1-NH1 2.97Å; E376-R405 PolarHBondContact OE1-NH1 3.32Å; N401-R405 WeakPolarHBondContact O-CG 3.48Å; N401-R405 PolarHBondContact O-N 3.14Å; N401-R405 VanDerWaalsContact O-N 3.11Å; L402-R405 WeakPolarHBondContact O-CB 3.38Å; L402-R405 PolarHBondContact O-N 2.65Å; R405-A409 VanDerWaalsContact O-CB 3.25Å; R405-A409 WeakPolarHBondContact O-CB 3.49Å; R405-A409 PolarHBondContact O-N 3.33Å |
| 406 | W | 97.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 50 Ų | 50 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176.4 | -63.3 | -12.7 | 0 | 0 | 0 | 112.5 | L402 H403 R404 A409 A410 V426 G434 I437 | L402-W406 HydrophobicContact CD1-CZ2 3.83Å; L402-W406 HydrophobicContact CD2-CH2 4.09Å; L402-W406 HydrophobicContact CD2-CZ2 3.67Å; L402-W406 HydrophobicContact CG-CD2 4.37Å; L402-W406 HydrophobicContact CG-CH2 4.32Å; L402-W406 HydrophobicContact CG-CZ2 3.68Å; L402-W406 PolarHBondContact O-N 3Å; L402-W406 VanDerWaalsContact O-N 3.09Å; H403-W406 AromaticContact CD2-CE3 3.59Å; H403-W406 AromaticContact CD2-CZ3 3.5Å; H403-W406 VanDerWaalsContact CD2-CZ3 3.5Å; H403-W406 WeakPolarHBondContact CD2-CZ3 3.32Å; H403-W406 AromaticContact NE2-CZ3 3.76Å; H403-W406 PolarHBondContact O-N 3.4Å; R404-W406 VanDerWaalsContact C-N 3.29Å; R404-W406 PolarHBondContact O-N 2.8Å; W406-A409 PolarHBondContact O-N 3.05Å; W406-A410 WeakPolarHBondContact O-CB 3.45Å; W406-A410 PolarHBondContact O-N 2.99Å; W406-V426 HydrophobicContact CE3-CB 4.38Å; W406-V426 HydrophobicContact CE3-CG1 4.5Å; W406-G434 VanDerWaalsContact CD2-CA 3.41Å; W406-I437 HydrophobicContact CB-CD1 3.62Å; W406-I437 HydrophobicContact CE3-CD1 4.48Å |
| 407 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.7 | 163.8 | 0 | 0 | 0 | 0 | 111.7 | H403 R404 A409 A410 A411 F415 V426 I437 L439 L445 M449 L451 | H403-V407 WeakPolarHBondContact O-CG2 3.49Å; H403-V407 PolarHBondContact O-N 2.92Å; R404-V407 PolarHBondContact O-N 2.75Å; V407-A409 PolarHBondContact O-N 3.41Å; V407-A410 PolarHBondContact O-N 3.36Å; V407-A411 WeakPolarHBondContact O-CB 3.23Å; V407-A411 PolarHBondContact O-N 2.97Å; V407-F415 HydrophobicContact CB-CE2 3.99Å; V407-F415 HydrophobicContact CB-CZ 4.34Å; V407-F415 HydrophobicContact CG1-CE2 3.52Å; V407-F415 HydrophobicContact CG1-CZ 3.73Å; V407-V426 HydrophobicContact CG2-CG2 3.98Å; V407-I437 HydrophobicContact CG2-CG2 4.49Å; V407-L439 HydrophobicContact CG1-CD1 3.7Å; V407-L445 HydrophobicContact CG1-CD2 3.76Å; V407-M449 HydrophobicContact CG1-SD 3.83Å; V407-M449 HydrophobicContact CG2-SD 4.43Å; V407-L451 HydrophobicContact CG2-CD1 3.79Å |
| 408 | E | 95.5 | Very high | 93 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.7 | -68.4 | -180 | 162.4 | 0 | 0 | 111.8 | R404 A411 G412 R413 F415 | R404-E408 HydrophobicContact CG-CG 4.24Å; R404-E408 IonicContact CZ-OE1 3.1Å; R404-E408 IonicContact CZ-OE2 2.64Å; R404-E408 IonicContact NH1-OE1 4Å; R404-E408 PolarHBondContact NH1-OE1 2.99Å; R404-E408 IonicContact NH1-OE2 3.49Å; R404-E408 PolarHBondContact NH1-OE2 3.38Å; R404-E408 WeakPolarHBondContact O-CB 3.43Å; R404-E408 VanDerWaalsContact O-CG 3.3Å; R404-E408 WeakPolarHBondContact O-CG 3.37Å; R404-E408 PolarHBondContact O-N 3.38Å; E408-A411 PolarHBondContact O-N 3.03Å; E408-G412 WeakPolarHBondContact O-CA 3.49Å; E408-G412 PolarHBondContact O-N 3.3Å; E408-R413 VanDerWaalsContact CA-O 3.23Å; E408-R413 WeakPolarHBondContact CA-O 3.49Å; E408-R413 VanDerWaalsContact CB-O 3.31Å; E408-R413 WeakPolarHBondContact CB-O 3.49Å; E408-R413 WeakPolarHBondContact CG-O 3.44Å; E408-R413 PolarHBondContact O-N 3.31Å; E408-F415 HydrophobicContact CG-CD2 3.76Å; E408-F415 HydrophobicContact CG-CE2 4.17Å; E408-F415 PolarHBondContact OE1-N 2.89Å; E408-F415 VanDerWaalsContact OE1-N 3.17Å |
| 409 | A | 95.2 | Very high | 91.5 | Very high | 85 Ų | 85 | 56.7 Ų | 56.7 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | R405 W406 V407 | R405-A409 VanDerWaalsContact O-CB 3.25Å; R405-A409 WeakPolarHBondContact O-CB 3.49Å; R405-A409 PolarHBondContact O-N 3.33Å; W406-A409 PolarHBondContact O-N 3.05Å; V407-A409 PolarHBondContact O-N 3.41Å |
| 410 | A | 95.6 | Very high | 90.6 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 35% | 0.347 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | W406 V407 I437 | W406-A410 WeakPolarHBondContact O-CB 3.45Å; W406-A410 PolarHBondContact O-N 2.99Å; V407-A410 PolarHBondContact O-N 3.36Å; A410-I437 HydrophobicContact CB-CB 3.8Å; A410-I437 HydrophobicContact CB-CG2 3.62Å; A410-I437 WeakPolarHBondContact CB-O 3.48Å |
| 411 | A | 94.3 | Very high | 90 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -82.6 | -24 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V407 E408 R413 L439 L445 | V407-A411 WeakPolarHBondContact O-CB 3.23Å; V407-A411 PolarHBondContact O-N 2.97Å; E408-A411 PolarHBondContact O-N 3.03Å; A411-R413 HydrophobicContact CB-CG 4.45Å; A411-R413 WeakPolarHBondContact O-CG 3.38Å; A411-R413 PolarHBondContact O-N 2.88Å; A411-L439 HydrophobicContact CB-CD1 4.25Å; A411-L445 HydrophobicContact CB-CD1 3.83Å; A411-L445 HydrophobicContact CB-CD2 4.31Å |
| 412 | G | 93.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 73% | 0.732 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 17.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E408 | E408-G412 WeakPolarHBondContact O-CA 3.49Å; E408-G412 PolarHBondContact O-N 3.3Å |
| 413 | R | 93.1 | Very high | 89.6 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -140.7 | 159.7 | -177.6 | -32 | -171 | -96.7 | 106.5 | -6.2 | 110.1 | E408 A411 E441 T443 L445 | E408-R413 VanDerWaalsContact CA-O 3.23Å; E408-R413 WeakPolarHBondContact CA-O 3.49Å; E408-R413 VanDerWaalsContact CB-O 3.31Å; E408-R413 WeakPolarHBondContact CB-O 3.49Å; E408-R413 WeakPolarHBondContact CG-O 3.44Å; E408-R413 PolarHBondContact O-N 3.31Å; A411-R413 HydrophobicContact CB-CG 4.45Å; A411-R413 WeakPolarHBondContact O-CG 3.38Å; A411-R413 PolarHBondContact O-N 2.88Å; R413-E441 PolarHBondContact NE-O 2.83Å; R413-E441 PolarHBondContact NH2-O 3.48Å; R413-T443 PolarHBondContact NH2-O 3.36Å; R413-L445 HydrophobicContact CB-CD1 4.14Å |
| 414 | S | 91.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 64 Ų | 64 | 60% | 0.601 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 154.9 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 112 | ||
| 415 | F | 91.7 | Very high | 89.6 | Confident | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 149.4 | 163.5 | -79.6 | -101.9 | 0 | 0 | 0 | 110.1 | R404 V407 E408 A417 I422 C424 L445 M449 | R404-F415 HydrophobicContact CB-CE2 4.41Å; R404-F415 HydrophobicContact CG-CD2 3.59Å; R404-F415 HydrophobicContact CG-CE2 3.75Å; R404-F415 HydrophobicContact CG-CG 4.45Å; V407-F415 HydrophobicContact CB-CE2 3.99Å; V407-F415 HydrophobicContact CB-CZ 4.34Å; V407-F415 HydrophobicContact CG1-CE2 3.52Å; V407-F415 HydrophobicContact CG1-CZ 3.73Å; E408-F415 HydrophobicContact CG-CD2 3.76Å; E408-F415 HydrophobicContact CG-CE2 4.17Å; E408-F415 PolarHBondContact OE1-N 2.89Å; E408-F415 VanDerWaalsContact OE1-N 3.17Å; F415-A417 PolarHBondContact O-N 3.49Å; F415-I422 HydrophobicContact CB-CD1 3.53Å; F415-I422 HydrophobicContact CB-CG1 4.34Å; F415-I422 HydrophobicContact CD1-CG2 3.67Å; F415-I422 HydrophobicContact CD2-CG2 4.41Å; F415-I422 HydrophobicContact CE1-CG2 3.86Å; F415-I422 HydrophobicContact CG-CD1 4.08Å; F415-I422 HydrophobicContact CG-CG2 3.96Å; F415-I422 HydrophobicContact CZ-CG2 4.31Å; F415-C424 HydrophobicContact CZ-CB 4.2Å; F415-L445 HydrophobicContact CD1-CB 4.07Å; F415-L445 WeakPolarHBondContact CD1-O 3.38Å; F415-L445 HydrophobicContact CD2-CB 4.43Å; F415-L445 HydrophobicContact CE1-CB 4.33Å; F415-L445 HydrophobicContact CG-CB 4.13Å; F415-M449 HydrophobicContact CE1-CB 3.95Å; F415-M449 HydrophobicContact CE1-SD 4.21Å; F415-M449 HydrophobicContact CZ-CB 4.12Å; F415-M449 HydrophobicContact CZ-SD 3.84Å |
| 416 | E | 83.1 | Confident | 89.7 | Confident | 154 Ų | 154 | 58 Ų | 58 | 72% | 0.72 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 129.2 | 173.5 | -66.6 | -177 | 179.7 | 0 | 0 | 110.2 | G418 | E416-G418 PolarHBondContact O-N 3.05Š|
| 417 | A | 71.3 | Confident | 89.8 | Confident | 108 Ų | 108 | 57 Ų | 57 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 121.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F415 | F415-A417 PolarHBondContact O-N 3.49Š|
| 418 | G | 72.8 | Confident | 89.8 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | trans | -132.6 | 167.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E416 S420 | E416-G418 PolarHBondContact O-N 3.05Å; G418-S420 PolarHBondContact O-N 3.19Å | ||
| 419 | D | 67.9 | Low | 89.9 | Confident | 189 Ų | 189 | 58 Ų | 58 | 100% | 1.011 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -67.8 | -3 | -176.4 | -67.1 | -26.5 | 0 | 0 | 0 | 114.4 | ||
| 420 | S | 78.4 | Confident | 90 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 62% | 0.622 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -119.1 | 158.1 | -171.8 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | G418 I422 | G418-S420 PolarHBondContact O-N 3.19Å; S420-I422 PolarHBondContact O-N 3.45Å |
| 421 | T | 84.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 54 Ų | 54 | 52% | 0.515 | 34% | 0.342 | S | S | . | . | trans | -63.4 | 123.9 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | V423 | T421-V423 PolarHBondContact O-N 2.91Š| ||
| 422 | I | 92.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | trans | -63.2 | 122.3 | 176 | -67 | 159.7 | 0 | 0 | 0 | 109 | R404 F415 S420 C424 | R404-I422 HydrophobicContact CG-CG2 4.39Å; F415-I422 HydrophobicContact CB-CD1 3.53Å; F415-I422 HydrophobicContact CB-CG1 4.34Å; F415-I422 HydrophobicContact CD1-CG2 3.67Å; F415-I422 HydrophobicContact CD2-CG2 4.41Å; F415-I422 HydrophobicContact CE1-CG2 3.86Å; F415-I422 HydrophobicContact CG-CD1 4.08Å; F415-I422 HydrophobicContact CG-CG2 3.96Å; F415-I422 HydrophobicContact CZ-CG2 4.31Å; S420-I422 PolarHBondContact O-N 3.45Å; I422-C424 HydrophobicContact CG2-CB 4.25Å; I422-C424 PolarHBondContact O-N 3.27Å | ||
| 423 | V | 95.7 | Very high | 90.4 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | trans | -88.3 | 105.8 | 173 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | P105 Y400 T421 S447 P448 M449 | P105-V423 HydrophobicContact CG-CG1 3.75Å; Y400-V423 HydrophobicContact CD2-CG2 4.39Å; Y400-V423 HydrophobicContact CE1-CG1 4.26Å; Y400-V423 HydrophobicContact CE2-CB 4.18Å; Y400-V423 HydrophobicContact CE2-CG1 4Å; Y400-V423 HydrophobicContact CE2-CG2 3.86Å; T421-V423 PolarHBondContact O-N 2.91Å; V423-S447 PolarHBondContact N-OG 2.97Å; V423-P448 HydrophobicContact CB-CB 3.85Å; V423-P448 HydrophobicContact CG1-CB 3.73Å; V423-P448 CarbonylContact O-C 3.3Å; V423-P448 VanDerWaalsContact O-CA 3.31Å; V423-P448 WeakPolarHBondContact O-CA 3.46Å; V423-M449 PolarHBondContact O-N 2.8Å | ||
| 424 | C | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 118.3 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | Y400 H403 R404 F415 I422 M449 | Y400-C424 WeakPolarHBondContact CA-O 3.44Å; Y400-C424 VanDerWaalsContact CD1-O 3.23Å; Y400-C424 WeakPolarHBondContact CD1-O 3.14Å; H403-C424 HydrophobicContact CB-CB 4.36Å; H403-C424 WeakPolarHBondContact CB-O 3.49Å; R404-C424 HydrophobicContact CB-CB 4.23Å; F415-C424 HydrophobicContact CZ-CB 4.2Å; I422-C424 HydrophobicContact CG2-CB 4.25Å; I422-C424 PolarHBondContact O-N 3.27Å; C424-M449 CarbonylContact C-O 3.51Å; C424-M449 VanDerWaalsContact CA-O 3.31Å; C424-M449 WeakPolarHBondContact CA-O 3.45Å |
| 425 | E | 97.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.1 | 176 | -172.8 | -178.6 | -165.3 | 0 | 0 | 110.6 | P105 S106 H403 M449 V450 L451 | P105-E425 WeakPolarHBondContact CB-OE2 3.32Å; P105-E425 WeakPolarHBondContact CD-OE2 3.44Å; P105-E425 HydrophobicContact CG-CB 4.46Å; S106-E425 WeakPolarHBondContact CB-OE1 3.32Å; S106-E425 WeakPolarHBondContact CB-OE2 3.22Å; S106-E425 PolarHBondContact N-OE2 2.82Å; S106-E425 VanDerWaalsContact OG-CD 3.32Å; S106-E425 PolarHBondContact OG-OE1 2.95Å; S106-E425 PolarHBondContact OG-OE2 3.47Å; H403-E425 WeakPolarHBondContact ND1-CA 3.37Å; E425-M449 PolarHBondContact N-O 3.36Å; E425-V450 HydrophobicContact CB-CG1 4.35Å; E425-V450 HydrophobicContact CB-CG2 4.41Å; E425-V450 CarbonylContact O-C 3.56Å; E425-V450 VanDerWaalsContact O-CA 3.29Å; E425-V450 WeakPolarHBondContact O-CA 3.41Å; E425-L451 PolarHBondContact O-N 3.34Å |
| 426 | V | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 108 | H403 W406 V407 L430 I437 L451 | H403-V426 HydrophobicContact CB-CB 4.4Å; H403-V426 HydrophobicContact CB-CG2 3.99Å; H403-V426 PolarHBondContact CE1-N 2.79Å; H403-V426 PolarHBondContact CE1-O 3.5Å; H403-V426 PolarHBondContact ND1-N 3.48Å; W406-V426 HydrophobicContact CE3-CB 4.38Å; W406-V426 HydrophobicContact CE3-CG1 4.5Å; V407-V426 HydrophobicContact CG2-CG2 3.98Å; V426-L430 HydrophobicContact CG1-CD2 4.24Å; V426-I437 HydrophobicContact CG1-CD1 4.1Å; V426-I437 HydrophobicContact CG1-CG1 4.4Å; V426-I437 HydrophobicContact CG2-CD1 4.05Å; V426-L451 HydrophobicContact CG2-CB 4.43Å; V426-L451 HydrophobicContact CG2-CD1 4.21Å; V426-L451 HydrophobicContact CG2-CG 4.5Å |
| 427 | S | 98 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -62.9 | 134 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | K108 L429 L430 S431 L451 E456 | K108-S427 PolarHBondContact NZ-OG 3.37Å; K108-S427 VanDerWaalsContact NZ-OG 3.08Å; S427-L429 PolarHBondContact O-N 3.17Å; S427-L429 PolarHBondContact OG-N 3.49Å; S427-L430 WeakPolarHBondContact O-CB 3.39Å; S427-L430 PolarHBondContact O-N 3.24Å; S427-S431 PolarHBondContact O-N 3.43Å; S427-S431 VanDerWaalsContact O-N 3.11Å; S427-L451 WeakPolarHBondContact CB-O 3.24Å; S427-L451 PolarHBondContact N-O 2.74Å; S427-E456 WeakPolarHBondContact CB-OE2 3.24Å; S427-E456 PolarHBondContact OG-OE1 2.77Å; S427-E456 PolarHBondContact OG-OE2 2.99Å | ||
| 428 | P | 97.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.2 | 174.7 | -16.6 | 26.3 | 0 | 0 | 0 | 114.3 | L113 E116 R117 R120 L430 S431 | L113-P428 HydrophobicContact CD2-CG 3.79Å; E116-P428 HydrophobicContact CB-CB 3.79Å; E116-P428 HydrophobicContact CB-CG 4.26Å; E116-P428 WeakPolarHBondContact OE2-CD 3.09Å; R117-P428 HydrophobicContact CG-CB 3.73Å; R120-P428 WeakPolarHBondContact CB-O 3.47Å; R120-P428 WeakPolarHBondContact CG-O 3.04Å; P428-L430 VanDerWaalsContact C-N 3.3Å; P428-S431 WeakPolarHBondContact CA-O 3.49Å |
| 429 | L | 97 | Very high | 93.3 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25.6 | 171.4 | -70.4 | 176.2 | 0 | 0 | 0 | 112.8 | E116 L119 S427 A453 E456 | E116-L429 HydrophobicContact CB-CD2 3.84Å; E116-L429 HydrophobicContact CB-CG 3.81Å; E116-L429 HydrophobicContact CG-CD1 4.1Å; E116-L429 HydrophobicContact CG-CD2 3.87Å; E116-L429 HydrophobicContact CG-CG 3.68Å; L119-L429 HydrophobicContact CB-CD2 3.86Å; L119-L429 HydrophobicContact CD1-CD2 3.86Å; S427-L429 PolarHBondContact O-N 3.17Å; S427-L429 PolarHBondContact OG-N 3.49Å; L429-A453 HydrophobicContact CB-CB 3.62Å; L429-E456 HydrophobicContact CD1-CG 3.83Å |
| 430 | L | 97.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 37.6 Ų | 37.6 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -47.6 | 178.2 | 176.8 | 62.7 | 0 | 0 | 0 | 110.8 | R120 V426 S427 P428 L451 A453 | R120-L430 PolarHBondContact NE-O 2.88Å; R120-L430 PolarHBondContact NH2-O 3.24Å; V426-L430 HydrophobicContact CG1-CD2 4.24Å; S427-L430 WeakPolarHBondContact O-CB 3.39Å; S427-L430 PolarHBondContact O-N 3.24Å; P428-L430 VanDerWaalsContact C-N 3.3Å; L430-L451 HydrophobicContact CD2-CB 3.65Å; L430-A453 HydrophobicContact CB-CB 4.27Å |
| 431 | S | 98.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | trans | -142.3 | 128.8 | -173.3 | -165.2 | 0 | 0 | 0 | 0 | 111.6 | S427 P428 G434 E435 | S427-S431 PolarHBondContact O-N 3.43Å; S427-S431 VanDerWaalsContact O-N 3.11Å; P428-S431 WeakPolarHBondContact CA-O 3.49Å; S431-G434 WeakPolarHBondContact OG-CA 3.31Å; S431-G434 PolarHBondContact OG-N 3.11Å; S431-E435 WeakPolarHBondContact CA-OE1 3.29Å; S431-E435 VanDerWaalsContact CB-O 3.29Å; S431-E435 WeakPolarHBondContact CB-O 3.5Å; S431-E435 PolarHBondContact OG-N 3.11Å; S431-E435 PolarHBondContact OG-O 2.94Å; S431-E435 PolarHBondContact OG-OE2 3.14Å | ||
| 432 | Y | 97.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -83.6 | -42.5 | 177.1 | 175.4 | -97.2 | 0 | 0 | 0 | 112.2 | R117 L121 R234 V235 D237 E435 | R117-Y432 HydrophobicContact CB-CD2 4.02Å; R117-Y432 HydrophobicContact CB-CE2 4.06Å; R117-Y432 HydrophobicContact CG-CD2 4.28Å; R117-Y432 HydrophobicContact CG-CE2 4.48Å; L121-Y432 HydrophobicContact CD1-CD2 4.03Å; L121-Y432 HydrophobicContact CD1-CE2 3.4Å; L121-Y432 HydrophobicContact CD2-CD1 3.95Å; L121-Y432 HydrophobicContact CD2-CD2 3.92Å; L121-Y432 HydrophobicContact CD2-CE1 3.98Å; L121-Y432 HydrophobicContact CD2-CE2 3.93Å; L121-Y432 HydrophobicContact CD2-CG 3.92Å; L121-Y432 HydrophobicContact CG-CD1 4.5Å; L121-Y432 HydrophobicContact CG-CD2 3.57Å; L121-Y432 HydrophobicContact CG-CE1 4.47Å; L121-Y432 HydrophobicContact CG-CE2 3.5Å; L121-Y432 VanDerWaalsContact CG-CE2 3.5Å; L121-Y432 HydrophobicContact CG-CG 4.08Å; R234-Y432 WeakPolarHBondContact CB-OH 3.4Å; R234-Y432 PolarHBondContact O-OH 3.04Å; V235-Y432 WeakPolarHBondContact O-CE2 3.29Å; V235-Y432 PolarHBondContact O-OH 3.09Å; D237-Y432 VanDerWaalsContact CA-OH 3.27Å; D237-Y432 WeakPolarHBondContact CA-OH 3.49Å; D237-Y432 PolarHBondContact N-OH 2.82Å; Y432-E435 VanDerWaalsContact N-CD 3.28Å; Y432-E435 PolarHBondContact N-OE1 3.47Å; Y432-E435 PolarHBondContact N-OE2 2.81Å |
| 433 | A | 96.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 47.7 Ų | 47.7 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -145.6 | 32.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E435 | A433-E435 PolarHBondContact N-OE2 3.3Š|
| 434 | G | 96.7 | Very high | 94.1 | Very high | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 91.9 | 0.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W406 S431 | W406-G434 VanDerWaalsContact CD2-CA 3.41Å; S431-G434 WeakPolarHBondContact OG-CA 3.31Å; S431-G434 PolarHBondContact OG-N 3.11Å |
| 435 | E | 94.9 | Very high | 94 | Very high | 42 Ų | 42 | 49.9 Ų | 49.9 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 156.6 | 174.7 | 84.7 | -65.3 | 162.1 | 0 | 0 | 112.4 | R120 M124 S431 Y432 A433 I437 | R120-E435 IonicContact CZ-OE1 3.6Å; R120-E435 IonicContact NE-OE1 3.76Å; R120-E435 PolarHBondContact NE-OE1 2.95Å; R120-E435 IonicContact NH2-OE1 3.55Å; M124-E435 HydrophobicContact CE-CG 3.85Å; M124-E435 HydrophobicContact SD-CG 4.27Å; S431-E435 WeakPolarHBondContact CA-OE1 3.29Å; S431-E435 VanDerWaalsContact CB-O 3.29Å; S431-E435 WeakPolarHBondContact CB-O 3.5Å; S431-E435 PolarHBondContact OG-N 3.11Å; S431-E435 PolarHBondContact OG-O 2.94Å; S431-E435 PolarHBondContact OG-OE2 3.14Å; Y432-E435 VanDerWaalsContact N-CD 3.28Å; Y432-E435 PolarHBondContact N-OE1 3.47Å; Y432-E435 PolarHBondContact N-OE2 2.81Å; A433-E435 PolarHBondContact N-OE2 3.3Å; E435-I437 PolarHBondContact O-N 3.4Å; E435-I437 VanDerWaalsContact O-N 3.08Å |
| 436 | N | 92.6 | Very high | 93.7 | Very high | 96 Ų | 96 | 55 Ų | 55 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 20.6 | 171.6 | -63.1 | -37.5 | 0 | 0 | 0 | 115.5 | R120 I438 | R120-N436 PolarHBondContact NH2-ND2 3.04Å; N436-I438 PolarHBondContact O-N 2.9Å |
| 437 | I | 96.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | trans | -79.6 | 113.4 | 164.7 | -60 | 175.6 | 0 | 0 | 0 | 107 | W406 V407 A410 V426 E435 L439 L451 | W406-I437 HydrophobicContact CB-CD1 3.62Å; W406-I437 HydrophobicContact CE3-CD1 4.48Å; V407-I437 HydrophobicContact CG2-CG2 4.49Å; A410-I437 HydrophobicContact CB-CB 3.8Å; A410-I437 HydrophobicContact CB-CG2 3.62Å; A410-I437 WeakPolarHBondContact CB-O 3.48Å; V426-I437 HydrophobicContact CG1-CD1 4.1Å; V426-I437 HydrophobicContact CG1-CG1 4.4Å; V426-I437 HydrophobicContact CG2-CD1 4.05Å; E435-I437 PolarHBondContact O-N 3.4Å; E435-I437 VanDerWaalsContact O-N 3.08Å; I437-L439 HydrophobicContact CG2-CD1 4.11Å; I437-L439 HydrophobicContact CG2-CG 4.09Å; I437-L451 HydrophobicContact CG2-CD1 3.86Å | ||
| 438 | I | 92.8 | Very high | 93.2 | Very high | 152 Ų | 152 | 62.1 Ų | 62.1 | 78% | 0.779 | 35% | 0.351 | S | S | * | . | trans | -119.4 | 117.7 | 179.3 | -56.9 | 173.5 | 0 | 0 | 0 | 107.2 | N436 | N436-I438 PolarHBondContact O-N 2.9Š| ||
| 439 | L | 91 | Very high | 93 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 17% | 0.168 | 35% | 0.354 | C | S | . | . | trans | -123.4 | 131.6 | 178.5 | -61.7 | 170.9 | 0 | 0 | 0 | 107.7 | V407 A411 I437 T443 L445 L451 | V407-L439 HydrophobicContact CG1-CD1 3.7Å; A411-L439 HydrophobicContact CB-CD1 4.25Å; I437-L439 HydrophobicContact CG2-CD1 4.11Å; I437-L439 HydrophobicContact CG2-CG 4.09Å; L439-T443 HydrophobicContact CD2-CG2 4.25Å; L439-L445 HydrophobicContact CD1-CD2 4.06Å; L439-L451 HydrophobicContact CD2-CD1 4.22Å; L439-L451 HydrophobicContact CD2-CD2 4.3Å | ||
| 440 | G | 87 | Confident | 93 | Very high | 46 Ų | 46 | 63 Ų | 63 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | trans | -65.5 | 150.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | E442 T443 | G440-E442 PolarHBondContact O-N 3.21Å; G440-E442 VanDerWaalsContact O-N 3.11Å; G440-T443 WeakPolarHBondContact CA-OG1 3.44Å; G440-T443 PolarHBondContact N-OG1 2.86Å; G440-T443 VanDerWaalsContact O-CB 3.25Å; G440-T443 WeakPolarHBondContact O-CB 3.31Å; G440-T443 PolarHBondContact O-N 3.44Å; G440-T443 PolarHBondContact O-OG1 2.93Å | ||
| 441 | E | 84.2 | Confident | 92.9 | Very high | 181 Ų | 181 | 62.5 Ų | 62.5 | 85% | 0.846 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -39.2 | -177.2 | -68.2 | -175.8 | 170.4 | 0 | 0 | 112.6 | R413 | R413-E441 PolarHBondContact NE-O 2.83Å; R413-E441 PolarHBondContact NH2-O 3.48Å |
| 442 | E | 86 | Confident | 92.8 | Very high | 186 Ų | 186 | 68.3 Ų | 68.3 | 87% | 0.869 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -4.8 | -179.2 | -59.3 | -172 | 166.7 | 0 | 0 | 114.5 | G440 P444 | G440-E442 PolarHBondContact O-N 3.21Å; G440-E442 VanDerWaalsContact O-N 3.11Å; E442-P444 WeakPolarHBondContact O-CD 3.41Å; E442-P444 VanDerWaalsContact O-N 3.12Å |
| 443 | T | 90.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | trans | -63.4 | 114.2 | -176.3 | -50.9 | 0 | 0 | 0 | 0 | 110.1 | R413 L439 G440 L445 M449 | R413-T443 PolarHBondContact NH2-O 3.36Å; L439-T443 HydrophobicContact CD2-CG2 4.25Å; G440-T443 WeakPolarHBondContact CA-OG1 3.44Å; G440-T443 PolarHBondContact N-OG1 2.86Å; G440-T443 VanDerWaalsContact O-CB 3.25Å; G440-T443 WeakPolarHBondContact O-CB 3.31Å; G440-T443 PolarHBondContact O-N 3.44Å; G440-T443 PolarHBondContact O-OG1 2.93Å; T443-L445 PolarHBondContact O-N 2.73Å; T443-M449 HydrophobicContact CG2-CE 4.36Å | ||
| 444 | P | 90 | Very high | 92.3 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | trans | -63.3 | 131 | -177.3 | -23.4 | 35.5 | 0 | 0 | 0 | 111.5 | E442 M446 M449 | E442-P444 WeakPolarHBondContact O-CD 3.41Å; E442-P444 VanDerWaalsContact O-N 3.12Å; P444-M446 HydrophobicContact CB-CE 4.01Å; P444-M446 HydrophobicContact CB-CG 3.97Å; P444-M446 HydrophobicContact CB-SD 4.26Å; P444-M446 PolarHBondContact O-N 3.47Å; P444-M449 WeakPolarHBondContact O-CE 3.37Å | ||
| 445 | L | 92.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | trans | -92.3 | 81.3 | 175.6 | -61 | -172.9 | 0 | 0 | 0 | 109.3 | V407 A411 R413 F415 L439 T443 M449 | V407-L445 HydrophobicContact CG1-CD2 3.76Å; A411-L445 HydrophobicContact CB-CD1 3.83Å; A411-L445 HydrophobicContact CB-CD2 4.31Å; R413-L445 HydrophobicContact CB-CD1 4.14Å; F415-L445 HydrophobicContact CD1-CB 4.07Å; F415-L445 WeakPolarHBondContact CD1-O 3.38Å; F415-L445 HydrophobicContact CD2-CB 4.43Å; F415-L445 HydrophobicContact CE1-CB 4.33Å; F415-L445 HydrophobicContact CG-CB 4.13Å; L439-L445 HydrophobicContact CD1-CD2 4.06Å; T443-L445 PolarHBondContact O-N 2.73Å; L445-M449 HydrophobicContact CD2-CE 4.05Å; L445-M449 HydrophobicContact CD2-SD 4.2Å | ||
| 446 | M | 91.9 | Very high | 91.4 | Very high | 109 Ų | 109 | 74 Ų | 74 | 54% | 0.537 | 42% | 0.422 | S | S | . | . | trans | -117.3 | 150 | -175.5 | -60.6 | -167.9 | -60.7 | 0 | 0 | 112.1 | P444 P448 M449 | P444-M446 HydrophobicContact CB-CE 4.01Å; P444-M446 HydrophobicContact CB-CG 3.97Å; P444-M446 HydrophobicContact CB-SD 4.26Å; P444-M446 PolarHBondContact O-N 3.47Å; M446-P448 CarbonylContact O-C 2.99Å; M446-M449 WeakPolarHBondContact O-CB 3.05Å; M446-M449 PolarHBondContact O-N 2.73Å | ||
| 447 | S | 92.8 | Very high | 90.9 | Very high | 55 Ų | 55 | 75.5 Ų | 75.5 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -91.2 | 134.7 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | V423 | V423-S447 PolarHBondContact N-OG 2.97Š|
| 448 | P | 93.3 | Very high | 89.2 | Confident | 98 Ų | 98 | 81 Ų | 81 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | S | Bend | cis | -78.5 | 139.6 | -5 | 32.4 | -34.1 | 0 | 0 | 0 | 112.6 | V423 M446 | V423-P448 HydrophobicContact CB-CB 3.85Å; V423-P448 HydrophobicContact CG1-CB 3.73Å; V423-P448 CarbonylContact O-C 3.3Å; V423-P448 VanDerWaalsContact O-CA 3.31Å; V423-P448 WeakPolarHBondContact O-CA 3.46Å; M446-P448 CarbonylContact O-C 2.99Å |
| 449 | M | 94.9 | Very high | 89 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 10% | 0.099 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.4 | 169.7 | 179.4 | 165.9 | -99.9 | 0 | 0 | 109.8 | V407 F415 V423 C424 E425 T443 P444 L445 M446 L451 | V407-M449 HydrophobicContact CG1-SD 3.83Å; V407-M449 HydrophobicContact CG2-SD 4.43Å; F415-M449 HydrophobicContact CE1-CB 3.95Å; F415-M449 HydrophobicContact CE1-SD 4.21Å; F415-M449 HydrophobicContact CZ-CB 4.12Å; F415-M449 HydrophobicContact CZ-SD 3.84Å; V423-M449 PolarHBondContact O-N 2.8Å; C424-M449 CarbonylContact C-O 3.51Å; C424-M449 VanDerWaalsContact CA-O 3.31Å; C424-M449 WeakPolarHBondContact CA-O 3.45Å; E425-M449 PolarHBondContact N-O 3.36Å; T443-M449 HydrophobicContact CG2-CE 4.36Å; P444-M449 WeakPolarHBondContact O-CE 3.37Å; L445-M449 HydrophobicContact CD2-CE 4.05Å; L445-M449 HydrophobicContact CD2-SD 4.2Å; M446-M449 WeakPolarHBondContact O-CB 3.05Å; M446-M449 PolarHBondContact O-N 2.73Å; M449-L451 HydrophobicContact CG-CD2 3.96Å; M449-L451 HydrophobicContact CG-CG 4.23Å; M449-L451 HydrophobicContact SD-CD2 4.25Å |
| 450 | V | 96 | Very high | 88.9 | Confident | 50 Ų | 50 | 79.8 Ų | 79.8 | 30% | 0.303 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 108.5 | 177.9 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | P105 E425 R452 | P105-V450 HydrophobicContact CB-CG2 3.68Å; P105-V450 HydrophobicContact CG-CG2 3.99Å; E425-V450 HydrophobicContact CB-CG1 4.35Å; E425-V450 HydrophobicContact CB-CG2 4.41Å; E425-V450 CarbonylContact O-C 3.56Å; E425-V450 VanDerWaalsContact O-CA 3.29Å; E425-V450 WeakPolarHBondContact O-CA 3.41Å; V450-R452 HydrophobicContact CG1-CG 4.17Å |
| 451 | L | 96.5 | Very high | 89 | Confident | 30 Ų | 30 | 81.7 Ų | 81.7 | 16% | 0.157 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 119.5 | 177.4 | -55.7 | -172.3 | 0 | 0 | 0 | 109.6 | V407 E425 V426 S427 L430 I437 L439 M449 | V407-L451 HydrophobicContact CG2-CD1 3.79Å; E425-L451 PolarHBondContact O-N 3.34Å; V426-L451 HydrophobicContact CG2-CB 4.43Å; V426-L451 HydrophobicContact CG2-CD1 4.21Å; V426-L451 HydrophobicContact CG2-CG 4.5Å; S427-L451 WeakPolarHBondContact CB-O 3.24Å; S427-L451 PolarHBondContact N-O 2.74Å; L430-L451 HydrophobicContact CD2-CB 3.65Å; I437-L451 HydrophobicContact CG2-CD1 3.86Å; L439-L451 HydrophobicContact CD2-CD1 4.22Å; L439-L451 HydrophobicContact CD2-CD2 4.3Å; M449-L451 HydrophobicContact CG-CD2 3.96Å; M449-L451 HydrophobicContact CG-CG 4.23Å; M449-L451 HydrophobicContact SD-CD2 4.25Å |
| 452 | R | 95.5 | Very high | 89.3 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 47% | 0.468 | 47% | 0.472 | S | S | . | . | trans | -110.5 | 149.8 | -179.3 | -63.9 | -175.5 | -178.4 | 179.8 | 0.4 | 110.6 | V450 E456 L457 | V450-R452 HydrophobicContact CG1-CG 4.17Å; R452-E456 HydrophobicContact CB-CB 4.17Å; R452-L457 HydrophobicContact CB-CD2 4.09Å | ||
| 453 | A | 93.6 | Very high | 89.5 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 45% | 0.447 | C | S | . | . | trans | -69.2 | 153.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L429 L430 A455 E456 | L429-A453 HydrophobicContact CB-CB 3.62Å; L430-A453 HydrophobicContact CB-CB 4.27Å; A453-A455 PolarHBondContact O-N 2.86Å; A453-A455 VanDerWaalsContact O-N 3.16Å; A453-E456 HydrophobicContact CB-CG 4.45Å; A453-E456 WeakPolarHBondContact CB-OE2 3.23Å; A453-E456 PolarHBondContact N-OE2 2.81Å; A453-E456 WeakPolarHBondContact O-CB 3.49Å; A453-E456 PolarHBondContact O-N 3.23Å | ||
| 454 | A | 88.5 | Confident | 89.5 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -55 | -36.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E456 L457 | A454-E456 PolarHBondContact O-N 3.16Å; A454-E456 VanDerWaalsContact O-N 3.09Å; A454-L457 PolarHBondContact O-N 3.35Å; A454-L457 VanDerWaalsContact O-N 3.16Å |
| 455 | A | 85.2 | Confident | 89.4 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 74% | 0.744 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -63.3 | -12.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A453 | A453-A455 PolarHBondContact O-N 2.86Å; A453-A455 VanDerWaalsContact O-N 3.16Å |
| 456 | E | 88.2 | Confident | 89.2 | Confident | 46 Ų | 46 | 74.8 Ų | 74.8 | 22% | 0.215 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -100 | -1.6 | 179.4 | -61.3 | 174.4 | 92.2 | 0 | 0 | 113.3 | K108 S427 L429 R452 A453 A454 | K108-E456 WeakPolarHBondContact CE-OE1 3.45Å; K108-E456 IonicContact NZ-OE1 2.76Å; K108-E456 PolarHBondContact NZ-OE1 2.46Å; S427-E456 WeakPolarHBondContact CB-OE2 3.24Å; S427-E456 PolarHBondContact OG-OE1 2.77Å; S427-E456 PolarHBondContact OG-OE2 2.99Å; L429-E456 HydrophobicContact CD1-CG 3.83Å; R452-E456 HydrophobicContact CB-CB 4.17Å; A453-E456 HydrophobicContact CB-CG 4.45Å; A453-E456 WeakPolarHBondContact CB-OE2 3.23Å; A453-E456 PolarHBondContact N-OE2 2.81Å; A453-E456 WeakPolarHBondContact O-CB 3.49Å; A453-E456 PolarHBondContact O-N 3.23Å; A454-E456 PolarHBondContact O-N 3.16Å; A454-E456 VanDerWaalsContact O-N 3.09Å |
| 457 | L | 81.8 | Confident | 88.9 | Confident | 127 Ų | 127 | 71.9 Ų | 71.9 | 67% | 0.665 | 48% | 0.482 | S | S | * | . | trans | -92.3 | 5 | -174.9 | -63.2 | 178.2 | 0 | 0 | 0 | 113.8 | R452 A454 | R452-L457 HydrophobicContact CB-CD2 4.09Å; A454-L457 PolarHBondContact O-N 3.35Å; A454-L457 VanDerWaalsContact O-N 3.16Å | ||
| 458 | G | 61 | Low | 88.6 | Confident | 130 Ų | 130 | 73.5 Ų | 73.5 | 100% | 1.34 | 49% | 0.49 | S | S | * | . | trans | 85.8 | 0 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 458 of 458 residues in 169.4 ms
(Link to these results)