| 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 | 60.4 | Low | 92 | Very high | 159 Ų | 159 | 85.9 Ų | 85.9 | 78% | 0.783 | 44% | 0.437 | S | S | * | . | 0 | 133.5 | 0 | -69.9 | -170.6 | -158.7 | 0 | 0 | 109.2 | Y6 | M1-Y6 HydrophobicContact CB-CE2 3.94Š| |||
| 2 | G | 90.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 90.8 Ų | 90.8 | 52% | 0.515 | 45% | 0.446 | S | S | . | . | trans | -81.7 | 152.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y4 R5 | G2-Y4 PolarHBondContact O-N 3.24Å; G2-Y4 VanDerWaalsContact O-N 3.09Å; G2-R5 VanDerWaalsContact O-CB 3.31Å; G2-R5 WeakPolarHBondContact O-CB 3.31Å; G2-R5 PolarHBondContact O-N 3.42Å | ||
| 3 | A | 94.6 | Very high | 92.8 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 63% | 0.628 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -50.6 | -37.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R5 Y6 V7 | A3-R5 PolarHBondContact O-N 3.35Å; A3-Y6 PolarHBondContact O-N 3.24Å; A3-V7 PolarHBondContact O-N 3.09Å |
| 4 | Y | 95.1 | Very high | 93 | Very high | 112 Ų | 112 | 94.4 Ų | 94.4 | 44% | 0.439 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -22.3 | 178.3 | -67.3 | -43.5 | 0 | 0 | 0 | 114.5 | G2 Q8 E46 R49 | G2-Y4 PolarHBondContact O-N 3.24Å; G2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-Q8 WeakPolarHBondContact O-CB 3.43Å; Y4-Q8 PolarHBondContact O-N 3.2Å; Y4-E46 HydrophobicContact CD1-CB 3.92Å; Y4-E46 HydrophobicContact CG-CB 4.35Å; Y4-R49 VanDerWaalsContact OH-CZ 3.28Å; Y4-R49 PolarHBondContact OH-NE 3.2Å |
| 5 | R | 95.2 | Very high | 93.3 | Very high | 140 Ų | 140 | 99.7 Ų | 99.7 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -47.2 | 174.3 | -173.9 | 175.5 | 177.2 | 172.1 | -4 | 110.3 | G2 A3 V7 Q8 E9 | G2-R5 VanDerWaalsContact O-CB 3.31Å; G2-R5 WeakPolarHBondContact O-CB 3.31Å; G2-R5 PolarHBondContact O-N 3.42Å; A3-R5 PolarHBondContact O-N 3.35Å; R5-V7 PolarHBondContact O-N 2.94Å; R5-Q8 WeakPolarHBondContact O-CB 3.4Å; R5-Q8 PolarHBondContact O-N 3.24Å; R5-Q8 VanDerWaalsContact O-N 3.13Å; R5-E9 PolarHBondContact O-N 3.47Å |
| 6 | Y | 96.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 96.5 Ų | 96.5 | 52% | 0.522 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61 | -46.2 | 177.1 | -65.3 | -83.8 | 0 | 0 | 0 | 111.9 | M1 A3 Q8 E9 I10 | M1-Y6 HydrophobicContact CB-CE2 3.94Å; A3-Y6 PolarHBondContact O-N 3.24Å; Y6-Q8 PolarHBondContact O-N 3.26Å; Y6-E9 PolarHBondContact O-N 2.96Å; Y6-E9 VanDerWaalsContact O-N 3.11Å; Y6-I10 WeakPolarHBondContact O-CG1 3.39Å; Y6-I10 PolarHBondContact O-N 3.15Å |
| 7 | V | 95.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 97.5 Ų | 97.5 | 33% | 0.327 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | A3 R5 W11 E46 | A3-V7 PolarHBondContact O-N 3.09Å; R5-V7 PolarHBondContact O-N 2.94Å; V7-W11 PolarHBondContact O-N 3.25Å; V7-W11 VanDerWaalsContact O-N 3.13Å; V7-E46 HydrophobicContact CB-CB 4.46Å; V7-E46 HydrophobicContact CB-CG 4.33Å; V7-E46 HydrophobicContact CG1-CB 4.23Å; V7-E46 HydrophobicContact CG1-CG 3.87Å |
| 8 | Q | 96 | Very high | 94 | Very high | 41 Ų | 41 | 97.5 Ų | 97.5 | 19% | 0.192 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 175.8 | 175.8 | -179.5 | -6.6 | 0 | 0 | 112.2 | Y4 R5 Y6 W11 R12 E46 R50 | Y4-Q8 WeakPolarHBondContact O-CB 3.43Å; Y4-Q8 PolarHBondContact O-N 3.2Å; R5-Q8 WeakPolarHBondContact O-CB 3.4Å; R5-Q8 PolarHBondContact O-N 3.24Å; R5-Q8 VanDerWaalsContact O-N 3.13Å; Y6-Q8 PolarHBondContact O-N 3.26Å; Q8-W11 PolarHBondContact O-N 3.34Å; Q8-R12 VanDerWaalsContact NE2-NH2 3.17Å; Q8-R12 PolarHBondContact O-N 2.99Å; Q8-R12 VanDerWaalsContact O-N 3.11Å; Q8-E46 HydrophobicContact CB-CG 4.42Å; Q8-R50 VanDerWaalsContact OE1-CZ 3.32Å |
| 9 | E | 96.2 | Very high | 94.2 | Very high | 73 Ų | 73 | 92.5 Ų | 92.5 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 179.8 | -64.1 | -47.6 | 129.8 | 0 | 0 | 111.7 | R5 Y6 W11 R12 K13 | R5-E9 PolarHBondContact O-N 3.47Å; Y6-E9 PolarHBondContact O-N 2.96Å; Y6-E9 VanDerWaalsContact O-N 3.11Å; E9-W11 VanDerWaalsContact C-N 3.3Å; E9-W11 PolarHBondContact O-N 2.96Å; E9-R12 VanDerWaalsContact CD-NH1 3.28Å; E9-R12 WeakPolarHBondContact O-CB 3.31Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-R12 IonicContact OE1-CZ 2.83Å; E9-R12 IonicContact OE1-NE 2.62Å; E9-R12 IonicContact OE1-NH1 2.85Å; E9-R12 PolarHBondContact OE1-NH1 2.96Å; E9-R12 IonicContact OE1-NH2 3.3Å; E9-R12 WeakPolarHBondContact OE2-CD 3.32Å; E9-R12 IonicContact OE2-CZ 2.87Å; E9-R12 IonicContact OE2-NE 3.59Å; E9-R12 IonicContact OE2-NH1 2.89Å; E9-R12 PolarHBondContact OE2-NH1 2.85Å; E9-K13 PolarHBondContact O-N 2.56Å |
| 10 | I | 96.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 94.2 Ų | 94.2 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.1 | -47.8 | 171.9 | -68.1 | 166 | 0 | 0 | 0 | 110.3 | Y6 R12 K13 M19 | Y6-I10 WeakPolarHBondContact O-CG1 3.39Å; Y6-I10 PolarHBondContact O-N 3.15Å; I10-R12 PolarHBondContact O-N 3.05Å; I10-K13 PolarHBondContact O-N 3.27Å; I10-M19 HydrophobicContact CG2-CG 4.15Å; I10-M19 HydrophobicContact CG2-SD 3.69Å |
| 11 | W | 96.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 96.4 Ų | 96.4 | 6% | 0.057 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -68.8 | -15.4 | 178.3 | -90.9 | 101 | 0 | 0 | 0 | 114.7 | V7 Q8 E9 K14 M19 L23 R44 W120 | V7-W11 PolarHBondContact O-N 3.25Å; V7-W11 VanDerWaalsContact O-N 3.13Å; Q8-W11 PolarHBondContact O-N 3.34Å; E9-W11 VanDerWaalsContact C-N 3.3Å; E9-W11 PolarHBondContact O-N 2.96Å; W11-K14 WeakPolarHBondContact O-CE 3.41Å; W11-K14 VanDerWaalsContact O-CG 3.26Å; W11-K14 WeakPolarHBondContact O-CG 3.49Å; W11-K14 PolarHBondContact O-NZ 3.48Å; W11-M19 HydrophobicContact CD2-CE 3.62Å; W11-M19 HydrophobicContact CE3-CE 3.44Å; W11-M19 VanDerWaalsContact CE3-CE 3.44Å; W11-M19 HydrophobicContact CG-CE 4.3Å; W11-M19 HydrophobicContact CH2-CE 4.02Å; W11-M19 HydrophobicContact CZ2-CE 4.17Å; W11-M19 HydrophobicContact CZ3-CE 3.64Å; W11-L23 HydrophobicContact CH2-CD2 4.02Å; W11-L23 HydrophobicContact CZ3-CD2 4.01Å; W11-R44 HydrophobicContact CD2-CG 4.22Å; W11-R44 VanDerWaalsContact CD2-NE 3.35Å; W11-R44 VanDerWaalsContact CE2-CG 3.49Å; W11-R44 HydrophobicContact CH2-CG 3.92Å; W11-R44 VanDerWaalsContact CZ2-CD 3.46Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; W11-W120 HydrophobicContact CZ3-CZ3 4.02Å |
| 12 | R | 96.3 | Very high | 96.3 | Very high | 144 Ų | 144 | 91.9 Ų | 91.9 | 54% | 0.543 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.9 | -39.7 | 172.5 | -75.2 | 173.4 | 175.6 | -179.7 | 2.7 | 110.6 | Q8 E9 I10 K14 | Q8-R12 VanDerWaalsContact NE2-NH2 3.17Å; Q8-R12 PolarHBondContact O-N 2.99Å; Q8-R12 VanDerWaalsContact O-N 3.11Å; E9-R12 VanDerWaalsContact CD-NH1 3.28Å; E9-R12 WeakPolarHBondContact O-CB 3.31Å; E9-R12 PolarHBondContact O-N 2.91Å; E9-R12 IonicContact OE1-CZ 2.83Å; E9-R12 IonicContact OE1-NE 2.62Å; E9-R12 IonicContact OE1-NH1 2.85Å; E9-R12 PolarHBondContact OE1-NH1 2.96Å; E9-R12 IonicContact OE1-NH2 3.3Å; E9-R12 WeakPolarHBondContact OE2-CD 3.32Å; E9-R12 IonicContact OE2-CZ 2.87Å; E9-R12 IonicContact OE2-NE 3.59Å; E9-R12 IonicContact OE2-NH1 2.89Å; E9-R12 PolarHBondContact OE2-NH1 2.85Å; I10-R12 PolarHBondContact O-N 3.05Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.13Å |
| 13 | K | 97.3 | Very high | 96.7 | Very high | 153 Ų | 153 | 90.6 Ų | 90.6 | 67% | 0.665 | 43% | 0.427 | S | S | * | . | trans | -83.2 | 60 | 179.6 | -58 | -64.7 | -174.1 | 171.5 | 0 | 112.6 | E9 I10 Q15 S16 | E9-K13 PolarHBondContact O-N 2.56Å; I10-K13 PolarHBondContact O-N 3.27Å; K13-Q15 PolarHBondContact O-N 3.11Å; K13-S16 PolarHBondContact O-N 3.28Å; K13-S16 PolarHBondContact O-OG 2.96Å | ||
| 14 | K | 96.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 96.2 Ų | 96.2 | 35% | 0.348 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.4 | -175.1 | -63.4 | 179.1 | -169 | 58.3 | 0 | 115.2 | W11 R12 W120 | W11-K14 WeakPolarHBondContact O-CE 3.41Å; W11-K14 VanDerWaalsContact O-CG 3.26Å; W11-K14 WeakPolarHBondContact O-CG 3.49Å; W11-K14 PolarHBondContact O-NZ 3.48Å; R12-K14 VanDerWaalsContact C-N 3.3Å; R12-K14 PolarHBondContact O-N 3.13Å; K14-W120 HydrophobicContact CD-CH2 4.4Å; K14-W120 HydrophobicContact CD-CZ3 4.02Å |
| 15 | Q | 97.3 | Very high | 96.9 | Very high | 173 Ų | 173 | 94.3 Ų | 94.3 | 81% | 0.808 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -3.3 | 178.5 | -75.5 | -178.9 | -41.1 | 0 | 0 | 113.2 | K13 R20 | K13-Q15 PolarHBondContact O-N 3.11Å; Q15-R20 WeakPolarHBondContact O-CD 3.34Å; Q15-R20 PolarHBondContact O-NE 2.94Å |
| 16 | S | 97.7 | Very high | 97 | Very high | 49 Ų | 49 | 90.9 Ų | 90.9 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -65.4 | 155.9 | 172.5 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | K13 V18 M19 R20 | K13-S16 PolarHBondContact O-N 3.28Å; K13-S16 PolarHBondContact O-OG 2.96Å; S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.41Å; S16-M19 PolarHBondContact O-N 2.85Å; S16-M19 PolarHBondContact OG-N 3.07Å; S16-R20 WeakPolarHBondContact O-CB 3.3Å; S16-R20 WeakPolarHBondContact O-CG 3.33Å; S16-R20 PolarHBondContact O-N 2.83Å |
| 17 | D | 98 | Very high | 97.1 | Very high | 114 Ų | 114 | 85 Ų | 85 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -54.9 | -48.4 | -179 | -61.7 | -47.6 | 0 | 0 | 0 | 112.6 | M19 R20 F21 | D17-M19 PolarHBondContact O-N 3.28Å; D17-R20 PolarHBondContact O-N 2.99Å; D17-R20 IonicContact OD1-CZ 3.16Å; D17-R20 IonicContact OD1-NE 3.63Å; D17-R20 IonicContact OD1-NH2 3.77Å; D17-R20 PolarHBondContact OD1-NH2 3.47Å; D17-F21 WeakPolarHBondContact O-CB 3.37Å; D17-F21 PolarHBondContact O-N 3.47Å |
| 18 | V | 97.2 | Very high | 97.2 | Very high | 97 Ų | 97 | 90.1 Ų | 90.1 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.6 | -49.4 | 177.4 | 180 | 0 | 0 | 0 | 0 | 111.3 | S16 L22 | S16-V18 VanDerWaalsContact C-N 3.34Å; S16-V18 PolarHBondContact O-N 3.41Å; V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.38Å; V18-L22 VanDerWaalsContact O-CG 3.3Å; V18-L22 WeakPolarHBondContact O-CG 3.5Å; V18-L22 PolarHBondContact O-N 2.93Å |
| 19 | M | 97 | Very high | 97.3 | Very high | 2 Ų | 2 | 93 Ų | 93 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -71.5 | -36.1 | -177.9 | -75.4 | -58.4 | -59.6 | 0 | 0 | 112.4 | I10 W11 S16 D17 L22 L23 | I10-M19 HydrophobicContact CG2-CG 4.15Å; I10-M19 HydrophobicContact CG2-SD 3.69Å; W11-M19 HydrophobicContact CD2-CE 3.62Å; W11-M19 HydrophobicContact CE3-CE 3.44Å; W11-M19 VanDerWaalsContact CE3-CE 3.44Å; W11-M19 HydrophobicContact CG-CE 4.3Å; W11-M19 HydrophobicContact CH2-CE 4.02Å; W11-M19 HydrophobicContact CZ2-CE 4.17Å; W11-M19 HydrophobicContact CZ3-CE 3.64Å; S16-M19 PolarHBondContact O-N 2.85Å; S16-M19 PolarHBondContact OG-N 3.07Å; D17-M19 PolarHBondContact O-N 3.28Å; M19-L22 HydrophobicContact SD-CD1 4.48Å; M19-L23 HydrophobicContact CE-CD1 4.46Å; M19-L23 HydrophobicContact CE-CG 4.43Å; M19-L23 VanDerWaalsContact O-CB 3.25Å; M19-L23 WeakPolarHBondContact O-CB 3.21Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.18Å |
| 20 | R | 97.4 | Very high | 97.4 | Very high | 127 Ų | 127 | 89.9 Ų | 89.9 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.3 | -72 | -170.4 | -61.3 | 176.5 | -0.3 | 111 | Q15 S16 D17 L23 R24 | Q15-R20 WeakPolarHBondContact O-CD 3.34Å; Q15-R20 PolarHBondContact O-NE 2.94Å; S16-R20 WeakPolarHBondContact O-CB 3.3Å; S16-R20 WeakPolarHBondContact O-CG 3.33Å; S16-R20 PolarHBondContact O-N 2.83Å; D17-R20 PolarHBondContact O-N 2.99Å; D17-R20 IonicContact OD1-CZ 3.16Å; D17-R20 IonicContact OD1-NE 3.63Å; D17-R20 IonicContact OD1-NH2 3.77Å; D17-R20 PolarHBondContact OD1-NH2 3.47Å; R20-L23 PolarHBondContact O-N 2.98Å; R20-R24 WeakPolarHBondContact O-CB 3.32Å; R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 2.94Å |
| 21 | F | 98 | Very high | 97.4 | Very high | 140 Ų | 140 | 90.6 Ų | 90.6 | 61% | 0.614 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -58.5 | -55 | 176 | 176.4 | -101.5 | 0 | 0 | 0 | 111.3 | D17 L23 R24 V25 | D17-F21 WeakPolarHBondContact O-CB 3.37Å; D17-F21 PolarHBondContact O-N 3.47Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.45Å; F21-R24 PolarHBondContact O-N 3.42Å; F21-R24 VanDerWaalsContact O-N 3.16Å; F21-V25 HydrophobicContact CD2-CG2 4.46Å; F21-V25 HydrophobicContact CE1-CG2 4.32Å; F21-V25 HydrophobicContact CE2-CG2 4.08Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 3.44Å; F21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | L | 97.6 | Very high | 97.4 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 34% | 0.335 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | -179.7 | -71.6 | 175.5 | 0 | 0 | 0 | 112.8 | V18 M19 R26 | V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 WeakPolarHBondContact O-CB 3.38Å; V18-L22 VanDerWaalsContact O-CG 3.3Å; V18-L22 WeakPolarHBondContact O-CG 3.5Å; V18-L22 PolarHBondContact O-N 2.93Å; M19-L22 HydrophobicContact SD-CD1 4.48Å; L22-R26 WeakPolarHBondContact O-CB 3.5Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 3.14Å; L22-R26 VanDerWaalsContact O-N 3.1Å |
| 23 | L | 97.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 92 Ų | 92 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 178.5 | -74 | 172.5 | 0 | 0 | 0 | 111.9 | W11 M19 R20 F21 V27 W120 V121 | W11-L23 HydrophobicContact CH2-CD2 4.02Å; W11-L23 HydrophobicContact CZ3-CD2 4.01Å; M19-L23 HydrophobicContact CE-CD1 4.46Å; M19-L23 HydrophobicContact CE-CG 4.43Å; M19-L23 VanDerWaalsContact O-CB 3.25Å; M19-L23 WeakPolarHBondContact O-CB 3.21Å; M19-L23 WeakPolarHBondContact O-CG 3.46Å; M19-L23 PolarHBondContact O-N 3.18Å; R20-L23 PolarHBondContact O-N 2.98Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.45Å; L23-V27 VanDerWaalsContact O-CB 3.26Å; L23-V27 WeakPolarHBondContact O-CB 3.36Å; L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.99Å; L23-W120 HydrophobicContact CD1-CH2 4.14Å; L23-W120 HydrophobicContact CD2-CH2 4.03Å; L23-W120 HydrophobicContact CD2-CZ3 4.28Å; L23-V121 WeakPolarHBondContact CD2-O 3.39Å |
| 24 | R | 97.6 | Very high | 97.5 | Very high | 193 Ų | 193 | 88.7 Ų | 88.7 | 73% | 0.728 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.2 | -52.5 | 176.6 | -80.2 | 179.2 | 175 | 179.8 | -1.4 | 111.5 | R20 F21 R26 V27 W28 | R20-R24 WeakPolarHBondContact O-CB 3.32Å; R20-R24 WeakPolarHBondContact O-CG 3.24Å; R20-R24 PolarHBondContact O-N 2.94Å; F21-R24 PolarHBondContact O-N 3.42Å; F21-R24 VanDerWaalsContact O-N 3.16Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.44Å; R24-V27 PolarHBondContact O-N 2.54Å; R24-W28 PolarHBondContact O-N 3.21Å |
| 25 | V | 97.7 | Very high | 97.6 | Very high | 72 Ų | 72 | 87.6 Ų | 87.6 | 44% | 0.436 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | -179.6 | 177 | 0 | 0 | 0 | 0 | 111.1 | F21 W28 Q29 | F21-V25 HydrophobicContact CD2-CG2 4.46Å; F21-V25 HydrophobicContact CE1-CG2 4.32Å; F21-V25 HydrophobicContact CE2-CG2 4.08Å; F21-V25 HydrophobicContact CZ-CG2 4Å; F21-V25 PolarHBondContact O-N 3.44Å; F21-V25 VanDerWaalsContact O-N 3.08Å; V25-W28 PolarHBondContact O-N 2.92Å; V25-Q29 PolarHBondContact O-N 3.23Å |
| 26 | R | 97.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 81.4 Ų | 81.4 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -45.8 | 177 | -77.4 | 175.8 | 175.4 | 164.5 | -0.1 | 112.6 | L22 R24 W28 Q29 Y30 | L22-R26 WeakPolarHBondContact O-CB 3.5Å; L22-R26 VanDerWaalsContact O-CG 3.28Å; L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 3.14Å; L22-R26 VanDerWaalsContact O-N 3.1Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.44Å; R26-W28 VanDerWaalsContact C-N 3.3Å; R26-W28 PolarHBondContact O-N 3.1Å; R26-Q29 PolarHBondContact O-N 3.32Å; R26-Y30 HydrophobicContact CB-CE1 4.24Å; R26-Y30 HydrophobicContact CB-CE2 4.02Å; R26-Y30 WeakPolarHBondContact O-CB 3.32Å; R26-Y30 WeakPolarHBondContact O-CD1 3.43Å; R26-Y30 WeakPolarHBondContact O-CD2 3.26Å; R26-Y30 PolarHBondContact O-N 3.36Å |
| 27 | V | 97.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 80.5 Ų | 80.5 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -36.3 | -179.2 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | L23 R24 Y30 R31 D124 Y129 | L23-V27 VanDerWaalsContact O-CB 3.26Å; L23-V27 WeakPolarHBondContact O-CB 3.36Å; L23-V27 WeakPolarHBondContact O-CG2 3.47Å; L23-V27 PolarHBondContact O-N 2.99Å; R24-V27 PolarHBondContact O-N 2.54Å; V27-Y30 PolarHBondContact O-N 3.37Å; V27-R31 WeakPolarHBondContact O-CB 3.29Å; V27-R31 PolarHBondContact O-N 3.16Å; V27-D124 HydrophobicContact CG1-CB 3.71Å; V27-Y129 HydrophobicContact CG1-CE2 3.78Å; V27-Y129 HydrophobicContact CG2-CD2 4.3Å; V27-Y129 HydrophobicContact CG2-CE2 4.33Å |
| 28 | W | 97.9 | Very high | 97.6 | Very high | 163 Ų | 163 | 83.2 Ų | 83.2 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.9 | -52.9 | 170.2 | 168.5 | 84.3 | 0 | 0 | 0 | 111.2 | R24 V25 R26 Y30 R31 | R24-W28 PolarHBondContact O-N 3.21Å; V25-W28 PolarHBondContact O-N 2.92Å; R26-W28 VanDerWaalsContact C-N 3.3Å; R26-W28 PolarHBondContact O-N 3.1Å; W28-Y30 VanDerWaalsContact C-N 3.32Å; W28-Y30 PolarHBondContact O-N 3.42Å; W28-R31 WeakPolarHBondContact O-CB 3.33Å; W28-R31 PolarHBondContact O-N 3.08Å; W28-R31 VanDerWaalsContact O-N 3.12Å |
| 29 | Q | 97.8 | Very high | 97.6 | Very high | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 177.6 | -172.2 | -170.5 | 29 | 0 | 0 | 111.6 | V25 R26 R31 Q32 | V25-Q29 PolarHBondContact O-N 3.23Å; R26-Q29 PolarHBondContact O-N 3.32Å; Q29-R31 PolarHBondContact O-N 3Å; Q29-Q32 PolarHBondContact O-N 3.19Å |
| 30 | Y | 97.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 3% | 0.027 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.1 | -22.9 | -177.9 | -60.1 | -9.1 | 0 | 0 | 0 | 112.9 | R26 V27 W28 Q32 T43 R63 V121 Y129 | R26-Y30 HydrophobicContact CB-CE1 4.24Å; R26-Y30 HydrophobicContact CB-CE2 4.02Å; R26-Y30 WeakPolarHBondContact O-CB 3.32Å; R26-Y30 WeakPolarHBondContact O-CD1 3.43Å; R26-Y30 WeakPolarHBondContact O-CD2 3.26Å; R26-Y30 PolarHBondContact O-N 3.36Å; V27-Y30 PolarHBondContact O-N 3.37Å; W28-Y30 VanDerWaalsContact C-N 3.32Å; W28-Y30 PolarHBondContact O-N 3.42Å; Y30-Q32 VanDerWaalsContact C-N 3.35Å; Y30-T43 PolarHBondContact OH-OG1 2.86Å; Y30-R63 VanDerWaalsContact CZ-CZ 3.46Å; Y30-V121 HydrophobicContact CE2-CG2 3.96Å; Y30-Y129 HydrophobicContact CD2-CD1 4.09Å; Y30-Y129 HydrophobicContact CD2-CG 4.09Å; Y30-Y129 HydrophobicContact CG-CD1 4.35Å |
| 31 | R | 96.3 | Very high | 97.4 | Very high | 108 Ų | 108 | 87.1 Ų | 87.1 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.5 | -34.5 | 176.4 | -170.2 | 177.8 | -66.7 | 162.2 | 1.5 | 111.8 | V27 W28 Q29 L33 R65 D124 | V27-R31 WeakPolarHBondContact O-CB 3.29Å; V27-R31 PolarHBondContact O-N 3.16Å; W28-R31 WeakPolarHBondContact O-CB 3.33Å; W28-R31 PolarHBondContact O-N 3.08Å; W28-R31 VanDerWaalsContact O-N 3.12Å; Q29-R31 PolarHBondContact O-N 3Å; R31-L33 VanDerWaalsContact C-N 3.31Å; R31-R65 PolarHBondContact O-NH1 2.87Å; R31-D124 IonicContact CZ-OD2 3.4Å; R31-D124 IonicContact NE-OD2 3.21Å; R31-D124 PolarHBondContact NE-OD2 3.43Å; R31-D124 VanDerWaalsContact NH2-CB 3.26Å; R31-D124 IonicContact NH2-OD2 2.73Å; R31-D124 PolarHBondContact NH2-OD2 2.84Å |
| 32 | Q | 97.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 81 Ų | 81 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -75.2 | -20.9 | 179.2 | -50.5 | -51 | -23.7 | 0 | 0 | 112.9 | Q29 Y30 | Q29-Q32 PolarHBondContact O-N 3.19Å; Y30-Q32 VanDerWaalsContact C-N 3.35Å |
| 33 | L | 97.4 | Very high | 97.4 | Very high | 57 Ų | 57 | 79 Ų | 79 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -81.9 | 160.1 | 179.8 | -63.8 | 174.8 | 0 | 0 | 0 | 112.5 | R31 H37 | R31-L33 VanDerWaalsContact C-N 3.31Å; L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.24Å |
| 34 | P | 97.9 | Very high | 97.4 | Very high | 85 Ų | 85 | 79.2 Ų | 79.2 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | trans | -55.8 | 162 | 174.3 | -26 | 35.1 | 0 | 0 | 0 | 113.4 | I36 | P34-I36 PolarHBondContact O-N 3.03Š| ||
| 35 | T | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 72.7 Ų | 72.7 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -59.1 | -35.9 | -176.8 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | I64 R65 | T35-I64 WeakPolarHBondContact O-CA 3.31Å; T35-R65 HydrophobicContact CG2-CG 3.93Å; T35-R65 PolarHBondContact O-N 2.83Å; T35-R65 PolarHBondContact OG1-NE 3.31Å |
| 36 | I | 98.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 69.5 Ų | 69.5 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 124.3 | 174.5 | -52.3 | 179.1 | 0 | 0 | 0 | 106.8 | P34 Y62 R63 I64 R105 V106 L109 | P34-I36 PolarHBondContact O-N 3.03Å; I36-Y62 HydrophobicContact CG2-CD1 3.84Å; I36-R63 WeakPolarHBondContact CA-O 3.37Å; I36-I64 HydrophobicContact CD1-CD1 3.84Å; I36-I64 HydrophobicContact CG1-CB 4.41Å; I36-I64 HydrophobicContact CG1-CD1 3.72Å; I36-I64 HydrophobicContact CG1-CG1 3.91Å; I36-R105 HydrophobicContact CD1-CB 4.18Å; I36-V106 HydrophobicContact CG2-CG2 4.19Å; I36-L109 HydrophobicContact CB-CD2 4.02Å; I36-L109 HydrophobicContact CD1-CB 4.49Å; I36-L109 HydrophobicContact CD1-CD2 4.17Å; I36-L109 HydrophobicContact CG2-CD2 3.54Å |
| 37 | H | 97.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.6 | 177.2 | 67.1 | -86.5 | 0 | 0 | 0 | 111.3 | L33 Y62 R63 | L33-H37 VanDerWaalsContact CD1-NE2 3.3Å; L33-H37 WeakPolarHBondContact CD1-NE2 3.24Å; H37-Y62 WeakPolarHBondContact O-CA 3.3Å; H37-R63 PolarHBondContact N-O 2.89Å; H37-R63 PolarHBondContact NE2-NH1 3.11Å; H37-R63 PolarHBondContact O-N 3.31Å |
| 38 | R | 97.7 | Very high | 97.3 | Very high | 171 Ų | 171 | 69 Ų | 69 | 65% | 0.645 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 132.7 | 176.8 | -172.4 | 177.8 | 176.4 | -162.8 | 0.2 | 109.7 | Y62 | R38-Y62 HydrophobicContact CB-CE1 4.21Å; R38-Y62 HydrophobicContact CB-CE2 4.46Å; R38-Y62 HydrophobicContact CG-CE2 4.29Å |
| 39 | A | 96.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 65.8 Ų | 65.8 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109 | R41 I61 | A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 3.28Å; A39-I61 HydrophobicContact CB-CB 4.36Å; A39-I61 HydrophobicContact CB-CG2 4Å; A39-I61 PolarHBondContact N-O 3.34Å |
| 40 | S | 95.2 | Very high | 97.2 | Very high | 112 Ų | 112 | 67.4 Ų | 67.4 | 78% | 0.783 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -65.1 | -37 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 41 | R | 96.3 | Very high | 97.2 | Very high | 189 Ų | 189 | 68.6 Ų | 68.6 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -141.2 | 156.9 | 179.2 | 69 | -178.8 | 84.8 | 127.8 | -0.3 | 110.9 | A39 T43 | A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 3.28Å; R41-T43 PolarHBondContact O-N 3.13Å |
| 42 | P | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.071 | 32% | 0.319 | C | S | . | . | trans | -62.8 | 132.7 | 174.5 | 20.4 | -28.2 | 0 | 0 | 0 | 110.3 | R44 P45 A48 Y53 I61 Y119 | P42-R44 PolarHBondContact O-N 3Å; P42-P45 HydrophobicContact CG-CB 4.28Å; P42-P45 HydrophobicContact CG-CG 4.26Å; P42-A48 HydrophobicContact CB-CB 3.75Å; P42-A48 HydrophobicContact CG-CB 4.27Å; P42-Y53 HydrophobicContact CG-CD1 4.3Å; P42-Y53 HydrophobicContact CG-CE1 3.85Å; P42-I61 VanDerWaalsContact CA-CD1 3.47Å; P42-I61 HydrophobicContact CB-CD1 3.37Å; P42-I61 HydrophobicContact CG-CD1 3.84Å; P42-Y119 VanDerWaalsContact CB-OH 3.29Å; P42-Y119 WeakPolarHBondContact CB-OH 3.38Å | ||
| 43 | T | 97.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 60.1 Ų | 60.1 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -61 | -27.8 | 170.2 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | Y30 R41 R63 E131 | Y30-T43 PolarHBondContact OH-OG1 2.86Å; R41-T43 PolarHBondContact O-N 3.13Å; T43-R63 PolarHBondContact OG1-NH2 3.06Å; T43-E131 WeakPolarHBondContact CB-OE1 3.4Å; T43-E131 WeakPolarHBondContact CB-OE2 3.49Å; T43-E131 PolarHBondContact N-OE2 3.23Å; T43-E131 PolarHBondContact OG1-OE1 3.38Å |
| 44 | R | 97 | Very high | 97.3 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | trans | -128.2 | 80.2 | -178.6 | -64.2 | -173.3 | 61.6 | 179 | 1.7 | 111.2 | W11 P42 E46 K47 A48 Y119 | W11-R44 HydrophobicContact CD2-CG 4.22Å; W11-R44 VanDerWaalsContact CD2-NE 3.35Å; W11-R44 VanDerWaalsContact CE2-CG 3.49Å; W11-R44 HydrophobicContact CH2-CG 3.92Å; W11-R44 VanDerWaalsContact CZ2-CD 3.46Å; W11-R44 HydrophobicContact CZ2-CG 3.31Å; P42-R44 PolarHBondContact O-N 3Å; R44-E46 VanDerWaalsContact CA-OE2 3.24Å; R44-E46 WeakPolarHBondContact CA-OE2 3.28Å; R44-E46 WeakPolarHBondContact CB-OE2 3.32Å; R44-E46 IonicContact CZ-OE1 3.8Å; R44-E46 VanDerWaalsContact CZ-OE1 3.3Å; R44-E46 IonicContact NE-OE1 3.7Å; R44-E46 PolarHBondContact NE-OE1 3.45Å; R44-E46 IonicContact NH2-OE1 3.61Å; R44-E46 PolarHBondContact NH2-OE1 3.17Å; R44-E46 PolarHBondContact O-N 3.2Å; R44-K47 HydrophobicContact CB-CB 3.77Å; R44-K47 PolarHBondContact O-N 3.37Å; R44-K47 VanDerWaalsContact O-N 3.16Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.46Å; R44-A48 PolarHBondContact O-N 2.98Å; R44-Y119 HydrophobicContact CB-CD2 4.43Å; R44-Y119 HydrophobicContact CB-CE2 3.96Å; R44-Y119 HydrophobicContact CG-CE2 4.42Å | ||
| 45 | P | 96.7 | Very high | 97.2 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.2 | -37.1 | -178.2 | -23 | 32.7 | 0 | 0 | 0 | 112.9 | P42 R49 | P42-P45 HydrophobicContact CG-CB 4.28Å; P42-P45 HydrophobicContact CG-CG 4.26Å; P45-R49 WeakPolarHBondContact O-CB 3.3Å; P45-R49 WeakPolarHBondContact O-CG 3.47Å; P45-R49 PolarHBondContact O-N 3.35Å |
| 46 | E | 96.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -40 | 178.9 | 87.1 | -59.4 | 161.3 | 0 | 0 | 112 | Y4 V7 Q8 R44 R50 | Y4-E46 HydrophobicContact CD1-CB 3.92Å; Y4-E46 HydrophobicContact CG-CB 4.35Å; V7-E46 HydrophobicContact CB-CB 4.46Å; V7-E46 HydrophobicContact CB-CG 4.33Å; V7-E46 HydrophobicContact CG1-CB 4.23Å; V7-E46 HydrophobicContact CG1-CG 3.87Å; Q8-E46 HydrophobicContact CB-CG 4.42Å; R44-E46 VanDerWaalsContact CA-OE2 3.24Å; R44-E46 WeakPolarHBondContact CA-OE2 3.28Å; R44-E46 WeakPolarHBondContact CB-OE2 3.32Å; R44-E46 IonicContact CZ-OE1 3.8Å; R44-E46 VanDerWaalsContact CZ-OE1 3.3Å; R44-E46 IonicContact NE-OE1 3.7Å; R44-E46 PolarHBondContact NE-OE1 3.45Å; R44-E46 IonicContact NH2-OE1 3.61Å; R44-E46 PolarHBondContact NH2-OE1 3.17Å; R44-E46 PolarHBondContact O-N 3.2Å; E46-R50 PolarHBondContact O-N 3.36Å |
| 47 | K | 97.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 67.7 Ų | 67.7 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -77.3 | -42 | 179.2 | -176.6 | 57 | 175.3 | 176.6 | 0 | 111 | R44 R50 L51 Y119 | R44-K47 HydrophobicContact CB-CB 3.77Å; R44-K47 PolarHBondContact O-N 3.37Å; R44-K47 VanDerWaalsContact O-N 3.16Å; K47-R50 PolarHBondContact O-N 2.62Å; K47-L51 HydrophobicContact CD-CD1 4.36Å; K47-L51 HydrophobicContact CG-CD1 4.28Å; K47-L51 WeakPolarHBondContact O-CG 3.47Å; K47-L51 PolarHBondContact O-N 2.89Å; K47-Y119 HydrophobicContact CG-CD2 4.29Å; K47-Y119 HydrophobicContact CG-CG 3.99Å |
| 48 | A | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P42 R44 R50 L51 G52 Y53 Y119 I133 | P42-A48 HydrophobicContact CB-CB 3.75Å; P42-A48 HydrophobicContact CG-CB 4.27Å; R44-A48 VanDerWaalsContact O-CB 3.31Å; R44-A48 WeakPolarHBondContact O-CB 3.46Å; R44-A48 PolarHBondContact O-N 2.98Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.26Å; A48-L51 CarbonylContact O-C 3.52Å; A48-L51 WeakPolarHBondContact O-CA 3.43Å; A48-L51 PolarHBondContact O-N 2.85Å; A48-G52 PolarHBondContact O-N 3.48Å; A48-Y53 VanDerWaalsContact C-CB 3.48Å; A48-Y53 HydrophobicContact CB-CD1 4.05Å; A48-Y53 HydrophobicContact CB-CG 4.04Å; A48-Y53 VanDerWaalsContact O-CB 3.26Å; A48-Y53 WeakPolarHBondContact O-CB 3.37Å; A48-Y53 PolarHBondContact O-N 2.81Å; A48-Y119 HydrophobicContact CB-CE1 3.78Å; A48-I133 HydrophobicContact CB-CD1 4.45Å |
| 49 | R | 97 | Very high | 97.1 | Very high | 95 Ų | 95 | 59.5 Ų | 59.5 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 178.8 | -80.1 | -177 | 168 | -135.9 | 1.5 | 112.7 | Y4 P45 L51 G52 Y53 | Y4-R49 VanDerWaalsContact OH-CZ 3.28Å; Y4-R49 PolarHBondContact OH-NE 3.2Å; P45-R49 WeakPolarHBondContact O-CB 3.3Å; P45-R49 WeakPolarHBondContact O-CG 3.47Å; P45-R49 PolarHBondContact O-N 3.35Å; R49-L51 PolarHBondContact O-N 3.37Å; R49-G52 PolarHBondContact O-N 3.47Å; R49-G52 VanDerWaalsContact O-N 3.08Å; R49-Y53 WeakPolarHBondContact CA-O 3.21Å; R49-Y53 HydrophobicContact CG-CD1 4.41Å |
| 50 | R | 96.5 | Very high | 97.2 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -27.5 | 176 | -164 | -175.2 | -39.6 | -126.6 | -10.2 | 113.4 | Q8 E46 K47 A48 G52 | Q8-R50 VanDerWaalsContact OE1-CZ 3.32Å; E46-R50 PolarHBondContact O-N 3.36Å; K47-R50 PolarHBondContact O-N 2.62Å; A48-R50 VanDerWaalsContact C-N 3.33Å; A48-R50 PolarHBondContact O-N 3.26Å; R50-G52 VanDerWaalsContact C-N 3.3Å |
| 51 | L | 97.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.3 | 176.8 | -69 | 174.8 | 0 | 0 | 0 | 113.4 | K47 A48 R49 N117 S118 Y119 I133 | K47-L51 HydrophobicContact CD-CD1 4.36Å; K47-L51 HydrophobicContact CG-CD1 4.28Å; K47-L51 WeakPolarHBondContact O-CG 3.47Å; K47-L51 PolarHBondContact O-N 2.89Å; A48-L51 CarbonylContact O-C 3.52Å; A48-L51 WeakPolarHBondContact O-CA 3.43Å; A48-L51 PolarHBondContact O-N 2.85Å; R49-L51 PolarHBondContact O-N 3.37Å; L51-N117 HydrophobicContact CB-CB 4.05Å; L51-N117 PolarHBondContact O-ND2 3Å; L51-S118 WeakPolarHBondContact CD1-O 3.39Å; L51-Y119 HydrophobicContact CD1-CD1 3.72Å; L51-Y119 HydrophobicContact CD1-CG 4.13Å; L51-I133 HydrophobicContact CB-CD1 3.94Å |
| 52 | G | 97.2 | Very high | 97.4 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104 | 3.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A48 R49 R50 F59 | A48-G52 PolarHBondContact O-N 3.48Å; R49-G52 PolarHBondContact O-N 3.47Å; R49-G52 VanDerWaalsContact O-N 3.08Å; R50-G52 VanDerWaalsContact C-N 3.3Å; G52-F59 WeakPolarHBondContact O-CE1 3.48Å |
| 53 | Y | 98.1 | Very high | 97.5 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 12% | 0.122 | 24% | 0.24 | C | C | . | . | trans | -64.8 | 139.1 | 172.9 | 173.4 | -97.7 | 0 | 0 | 0 | 111.3 | P42 A48 R49 A55 F59 I61 I133 | P42-Y53 HydrophobicContact CG-CD1 4.3Å; P42-Y53 HydrophobicContact CG-CE1 3.85Å; A48-Y53 VanDerWaalsContact C-CB 3.48Å; A48-Y53 HydrophobicContact CB-CD1 4.05Å; A48-Y53 HydrophobicContact CB-CG 4.04Å; A48-Y53 VanDerWaalsContact O-CB 3.26Å; A48-Y53 WeakPolarHBondContact O-CB 3.37Å; A48-Y53 PolarHBondContact O-N 2.81Å; R49-Y53 WeakPolarHBondContact CA-O 3.21Å; R49-Y53 HydrophobicContact CG-CD1 4.41Å; Y53-A55 HydrophobicContact CE1-CB 4.3Å; Y53-F59 HydrophobicContact CD2-CB 4.05Å; Y53-F59 AromaticContact CD2-CD1 3.77Å; Y53-F59 HydrophobicContact CD2-CD1 3.77Å; Y53-F59 HydrophobicContact CD2-CG 4.26Å; Y53-F59 HydrophobicContact CE2-CB 3.82Å; Y53-F59 HydrophobicContact CE2-CD1 4.41Å; Y53-F59 HydrophobicContact CE2-CG 4.46Å; Y53-F59 HydrophobicContact CG-CD1 4.47Å; Y53-I61 HydrophobicContact CD2-CD1 4.12Å; Y53-I61 HydrophobicContact CD2-CG1 4.37Å; Y53-I61 HydrophobicContact CE2-CD1 3.99Å; Y53-I61 HydrophobicContact CE2-CG1 4.22Å; Y53-I133 HydrophobicContact CD2-CG2 4.27Å | ||
| 54 | R | 97.5 | Very high | 97.5 | Very high | 130 Ų | 130 | 48.2 Ų | 48.2 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | trans | -128.7 | 143.1 | 168 | -64.4 | -62.9 | -177.8 | -144.4 | 6.1 | 108.8 | K56 F59 | R54-K56 HydrophobicContact CB-CG 4.17Å; R54-K56 PolarHBondContact O-N 2.85Å; R54-F59 HydrophobicContact CB-CE2 4.29Å; R54-F59 HydrophobicContact CB-CZ 4.36Å; R54-F59 WeakPolarHBondContact O-CB 3.38Å; R54-F59 WeakPolarHBondContact O-CG 3.24Å | ||
| 55 | A | 96.5 | Very high | 97.6 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 61% | 0.612 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -79.4 | 77.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y53 | Y53-A55 HydrophobicContact CE1-CB 4.3Š|
| 56 | K | 96.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -146.6 | 161 | 175.8 | 63 | 172.6 | -177.4 | 163.7 | 0 | 110.5 | R54 F59 A141 D145 | R54-K56 HydrophobicContact CB-CG 4.17Å; R54-K56 PolarHBondContact O-N 2.85Å; K56-F59 HydrophobicContact CD-CD2 4.47Å; K56-F59 HydrophobicContact CD-CE2 4.36Å; K56-F59 HydrophobicContact CG-CD2 3.74Å; K56-F59 HydrophobicContact CG-CE2 4.08Å; K56-F59 PolarHBondContact O-N 3.25Å; K56-A141 PolarHBondContact NZ-O 2.87Å; K56-D145 VanDerWaalsContact NZ-CB 3.3Å; K56-D145 VanDerWaalsContact NZ-CG 3.35Å; K56-D145 IonicContact NZ-OD2 2.56Å; K56-D145 PolarHBondContact NZ-OD2 2.82Å |
| 57 | Q | 97.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 54.3 Ų | 54.3 | 65% | 0.654 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 143.3 | 177.4 | -64 | 173.1 | -23 | 0 | 0 | 111.5 | H139 | Q57-H139 WeakPolarHBondContact CB-CE1 3.25Å; Q57-H139 PolarHBondContact OE1-CE1 3.24Å |
| 58 | G | 97.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | -11.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | I135 D136 | G58-I135 CarbonylContact O-C 3.53Å; G58-I135 VanDerWaalsContact O-CA 3.32Å; G58-I135 WeakPolarHBondContact O-CA 3.34Å; G58-D136 PolarHBondContact O-N 3.18Å |
| 59 | F | 98.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.7 | 166.2 | -81.6 | -101.2 | 0 | 0 | 0 | 110.5 | G52 Y53 R54 K56 L116 I133 I135 I142 I148 | G52-F59 WeakPolarHBondContact O-CE1 3.48Å; Y53-F59 HydrophobicContact CD2-CB 4.05Å; Y53-F59 AromaticContact CD2-CD1 3.77Å; Y53-F59 HydrophobicContact CD2-CD1 3.77Å; Y53-F59 HydrophobicContact CD2-CG 4.26Å; Y53-F59 HydrophobicContact CE2-CB 3.82Å; Y53-F59 HydrophobicContact CE2-CD1 4.41Å; Y53-F59 HydrophobicContact CE2-CG 4.46Å; Y53-F59 HydrophobicContact CG-CD1 4.47Å; R54-F59 HydrophobicContact CB-CE2 4.29Å; R54-F59 HydrophobicContact CB-CZ 4.36Å; R54-F59 WeakPolarHBondContact O-CB 3.38Å; R54-F59 WeakPolarHBondContact O-CG 3.24Å; K56-F59 HydrophobicContact CD-CD2 4.47Å; K56-F59 HydrophobicContact CD-CE2 4.36Å; K56-F59 HydrophobicContact CG-CD2 3.74Å; K56-F59 HydrophobicContact CG-CE2 4.08Å; K56-F59 PolarHBondContact O-N 3.25Å; F59-L116 HydrophobicContact CE1-CD2 4.08Å; F59-I133 HydrophobicContact CD1-CG2 3.98Å; F59-I133 HydrophobicContact CE1-CG2 4.33Å; F59-I135 HydrophobicContact CD1-CD1 4.41Å; F59-I135 HydrophobicContact CD1-CG1 3.93Å; F59-I135 HydrophobicContact CE1-CD1 3.7Å; F59-I135 HydrophobicContact CE1-CG1 3.73Å; F59-I135 HydrophobicContact CE2-CD1 4.43Å; F59-I135 HydrophobicContact CE2-CG1 4.38Å; F59-I135 HydrophobicContact CG-CG1 4.39Å; F59-I135 HydrophobicContact CZ-CD1 3.73Å; F59-I135 HydrophobicContact CZ-CG1 3.99Å; F59-I142 HydrophobicContact CD2-CD1 3.64Å; F59-I142 HydrophobicContact CE2-CD1 3.52Å; F59-I148 HydrophobicContact CE2-CG1 4.42Å; F59-I148 HydrophobicContact CZ-CD1 4.28Å; F59-I148 HydrophobicContact CZ-CG1 3.98Å |
| 60 | V | 98 | Very high | 97.5 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 111 | Y62 L113 L134 | V60-Y62 HydrophobicContact CG2-CD2 4.24Å; V60-Y62 HydrophobicContact CG2-CE2 4.06Å; V60-L113 HydrophobicContact CG2-CD1 3.67Å; V60-L134 HydrophobicContact CG2-CB 3.53Å; V60-L134 HydrophobicContact CG2-CD1 4.28Å; V60-L134 PolarHBondContact N-O 3.44Å; V60-L134 PolarHBondContact O-N 3.34Å |
| 61 | I | 98.4 | Very high | 97.5 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.5 | 179.4 | -60.4 | -172.7 | 0 | 0 | 0 | 108.7 | A39 P42 Y53 E131 V132 | A39-I61 HydrophobicContact CB-CB 4.36Å; A39-I61 HydrophobicContact CB-CG2 4Å; A39-I61 PolarHBondContact N-O 3.34Å; P42-I61 VanDerWaalsContact CA-CD1 3.47Å; P42-I61 HydrophobicContact CB-CD1 3.37Å; P42-I61 HydrophobicContact CG-CD1 3.84Å; Y53-I61 HydrophobicContact CD2-CD1 4.12Å; Y53-I61 HydrophobicContact CD2-CG1 4.37Å; Y53-I61 HydrophobicContact CE2-CD1 3.99Å; Y53-I61 HydrophobicContact CE2-CG1 4.22Å; I61-E131 HydrophobicContact CG2-CB 3.89Å; I61-E131 HydrophobicContact CG2-CG 4.02Å; I61-V132 WeakPolarHBondContact CA-O 3.23Å |
| 62 | Y | 98.5 | Very high | 97.4 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 134.1 | 170.9 | -85.4 | -105.4 | 0 | 0 | 0 | 109.1 | I36 H37 R38 V60 V106 L109 E131 V132 L134 | I36-Y62 HydrophobicContact CG2-CD1 3.84Å; H37-Y62 WeakPolarHBondContact O-CA 3.3Å; R38-Y62 HydrophobicContact CB-CE1 4.21Å; R38-Y62 HydrophobicContact CB-CE2 4.46Å; R38-Y62 HydrophobicContact CG-CE2 4.29Å; V60-Y62 HydrophobicContact CG2-CD2 4.24Å; V60-Y62 HydrophobicContact CG2-CE2 4.06Å; Y62-V106 HydrophobicContact CG-CG1 4.33Å; Y62-L109 HydrophobicContact CE1-CD2 4.47Å; Y62-E131 CarbonylContact O-C 3.51Å; Y62-E131 WeakPolarHBondContact O-CA 3.49Å; Y62-V132 PolarHBondContact N-O 3.25Å; Y62-V132 PolarHBondContact O-N 3.37Å; Y62-L134 HydrophobicContact CD2-CD1 3.41Å; Y62-L134 VanDerWaalsContact CD2-CD1 3.41Å; Y62-L134 HydrophobicContact CE2-CD1 3.96Å; Y62-L134 HydrophobicContact CG-CD1 3.98Å |
| 63 | R | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 138.5 | 170.8 | -167.2 | 175.4 | -57.5 | 133.7 | 5.8 | 108.5 | Y30 I36 H37 T43 Y130 E131 | Y30-R63 VanDerWaalsContact CZ-CZ 3.46Å; I36-R63 WeakPolarHBondContact CA-O 3.37Å; H37-R63 PolarHBondContact N-O 2.89Å; H37-R63 PolarHBondContact NE2-NH1 3.11Å; H37-R63 PolarHBondContact O-N 3.31Å; T43-R63 PolarHBondContact OG1-NH2 3.06Å; R63-Y130 CarbonylContact C-O 3.49Å; R63-Y130 WeakPolarHBondContact CA-O 3.35Å; R63-E131 HydrophobicContact CB-CG 4.2Å; R63-E131 HydrophobicContact CG-CG 4.13Å; R63-E131 IonicContact CZ-OE1 3.37Å; R63-E131 IonicContact NE-OE1 3.05Å; R63-E131 PolarHBondContact NE-OE1 3.28Å; R63-E131 IonicContact NH2-OE1 2.81Å; R63-E131 PolarHBondContact NH2-OE1 3.39Å |
| 64 | I | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.9 | 179.1 | -179.3 | 164.1 | 0 | 0 | 0 | 110.8 | T35 I36 I66 A102 R105 V106 Y129 Y130 V132 | T35-I64 WeakPolarHBondContact O-CA 3.31Å; I36-I64 HydrophobicContact CD1-CD1 3.84Å; I36-I64 HydrophobicContact CG1-CB 4.41Å; I36-I64 HydrophobicContact CG1-CD1 3.72Å; I36-I64 HydrophobicContact CG1-CG1 3.91Å; I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CG1-CD1 4.11Å; I64-I66 HydrophobicContact CG1-CG1 4.44Å; I64-A102 HydrophobicContact CG2-CB 3.51Å; I64-R105 HydrophobicContact CD1-CB 3.4Å; I64-R105 VanDerWaalsContact CD1-CB 3.4Å; I64-R105 HydrophobicContact CD1-CG 4.31Å; I64-V106 HydrophobicContact CB-CG2 3.83Å; I64-V106 HydrophobicContact CD1-CG2 3.81Å; I64-V106 HydrophobicContact CG1-CG2 4.42Å; I64-V106 HydrophobicContact CG2-CG2 3.82Å; I64-Y129 WeakPolarHBondContact O-CA 3.37Å; I64-Y130 PolarHBondContact N-O 3.2Å; I64-Y130 PolarHBondContact O-N 2.88Å; I64-V132 HydrophobicContact CG2-CG2 3.97Å |
| 65 | R | 98.2 | Very high | 97.3 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.1 | 167.7 | 75.1 | -172.4 | 179.8 | -178.9 | 1.2 | 111.3 | R31 T35 F127 Y129 | R31-R65 PolarHBondContact O-NH1 2.87Å; T35-R65 HydrophobicContact CG2-CG 3.93Å; T35-R65 PolarHBondContact O-N 2.83Å; T35-R65 PolarHBondContact OG1-NE 3.31Å; R65-F127 HydrophobicContact CB-CB 4.39Å; R65-F127 HydrophobicContact CB-CD1 4.35Å; R65-F127 HydrophobicContact CB-CG 4.47Å; R65-F127 HydrophobicContact CG-CD1 4.18Å; R65-F127 HydrophobicContact CG-CE1 4.49Å; R65-Y129 HydrophobicContact CB-CD1 3.64Å; R65-Y129 HydrophobicContact CB-CE1 3.55Å |
| 66 | I | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.4 | 174.9 | -62.5 | -62.5 | 0 | 0 | 0 | 108.9 | I64 R68 L98 I101 A102 F127 K128 Y130 | I64-I66 HydrophobicContact CD1-CD1 3.95Å; I64-I66 HydrophobicContact CG1-CD1 4.11Å; I64-I66 HydrophobicContact CG1-CG1 4.44Å; I66-R68 PolarHBondContact O-N 2.88Å; I66-L98 HydrophobicContact CG2-CB 4.11Å; I66-L98 HydrophobicContact CG2-CD2 3.84Å; I66-L98 HydrophobicContact CG2-CG 4.44Å; I66-I101 HydrophobicContact CD1-CG2 4.23Å; I66-A102 HydrophobicContact CD1-CB 4.2Å; I66-A102 HydrophobicContact CG1-CB 3.68Å; I66-F127 CarbonylContact O-C 3.59Å; I66-F127 WeakPolarHBondContact O-CA 3.49Å; I66-K128 PolarHBondContact N-O 2.88Å; I66-K128 PolarHBondContact O-N 2.83Å; I66-Y130 HydrophobicContact CG1-CD2 4.42Å |
| 67 | R | 97.9 | Very high | 97.3 | Very high | 163 Ų | 163 | 74.2 Ų | 74.2 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 129.4 | 174.2 | -169.8 | 172.7 | 177.2 | 157.4 | -0.9 | 109.7 | R71 T126 F127 | R67-R71 PolarHBondContact O-NH2 3.04Å; R67-T126 CarbonylContact C-O 3.54Å; R67-T126 VanDerWaalsContact CA-O 3.31Å; R67-T126 WeakPolarHBondContact CA-O 3.41Å; R67-T126 HydrophobicContact CG-CG2 4.42Å; R67-T126 WeakPolarHBondContact CG-O 3.49Å; R67-F127 HydrophobicContact CB-CD1 4.13Å; R67-F127 HydrophobicContact CB-CE1 4.03Å; R67-F127 HydrophobicContact CG-CE1 4.45Å |
| 68 | R | 97.5 | Very high | 97.2 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | trans | -70.4 | 172.4 | 178.7 | -70.8 | 177.5 | 62.4 | 171 | -4 | 111.1 | I66 D124 S125 T126 F127 K128 | I66-R68 PolarHBondContact O-N 2.88Å; R68-D124 WeakPolarHBondContact CD-O 3.48Å; R68-D124 PolarHBondContact NH1-O 3.06Å; R68-S125 WeakPolarHBondContact CD-O 3.38Å; R68-T126 PolarHBondContact N-O 3.09Å; R68-F127 WeakPolarHBondContact CD-O 3.4Å; R68-K128 HydrophobicContact CG-CB 4.34Å; R68-K128 HydrophobicContact CG-CD 4.4Å; R68-K128 HydrophobicContact CG-CG 3.8Å | ||
| 69 | G | 96.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 73 Ų | 73 | 46% | 0.464 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 89.2 | -176.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 70 | N | 96 | Very high | 97 | Very high | 81 Ų | 81 | 73.5 Ų | 73.5 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | trans | -73.3 | 173.4 | -179.7 | -75.8 | -10.8 | 0 | 0 | 0 | 111.6 | L92 | N70-L92 WeakPolarHBondContact CB-O 3.44Š| ||
| 71 | R | 95.7 | Very high | 96.9 | Very high | 83 Ų | 83 | 80.1 Ų | 80.1 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | trans | -120.6 | 109 | 178 | -61.8 | -61.3 | 176 | -170.9 | -7.8 | 108.7 | R67 L92 P94 | R67-R71 PolarHBondContact O-NH2 3.04Å; R71-L92 PolarHBondContact N-O 3.47Å; R71-L92 VanDerWaalsContact N-O 3.13Å; R71-P94 HydrophobicContact CG-CB 4.14Å; R71-P94 HydrophobicContact CG-CG 4.21Å | ||
| 72 | K | 95.5 | Very high | 96.7 | Very high | 129 Ų | 129 | 83 Ų | 83 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | trans | -55.7 | 142.9 | 173.6 | -169.1 | -171 | 175.5 | 178.7 | 0 | 110.1 | K74 V89 | K72-K74 PolarHBondContact O-N 2.79Å; K72-V89 WeakPolarHBondContact CA-O 3.41Å; K72-V89 HydrophobicContact CD-CG1 4.05Å; K72-V89 HydrophobicContact CG-CG1 3.56Å | ||
| 73 | R | 96.7 | Very high | 96.6 | Very high | 93 Ų | 93 | 87.7 Ų | 87.7 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | trans | -60.9 | 133.5 | 167.8 | -163.8 | -174.2 | -72.4 | -122.7 | 0.9 | 109.4 | V75 T86 G88 V89 L92 | R73-V75 HydrophobicContact CB-CG2 4.47Å; R73-V75 HydrophobicContact CG-CG1 3.95Å; R73-V75 PolarHBondContact O-N 2.56Å; R73-V75 VanDerWaalsContact O-N 3.17Å; R73-T86 PolarHBondContact NH2-O 2.95Å; R73-T86 VanDerWaalsContact NH2-O 3.08Å; R73-G88 PolarHBondContact NE-O 3.08Å; R73-G88 VanDerWaalsContact NE-O 3.13Å; R73-G88 PolarHBondContact NH2-O 3.05Å; R73-V89 HydrophobicContact CB-CG1 4.26Å; R73-V89 PolarHBondContact N-O 2.81Å; R73-L92 HydrophobicContact CB-CD1 3.77Å; R73-L92 HydrophobicContact CG-CD1 4.45Å | ||
| 74 | K | 96.6 | Very high | 96.5 | Very high | 208 Ų | 208 | 91.7 Ų | 91.7 | 90% | 0.904 | 45% | 0.454 | S | S | * | . | trans | -81.5 | 92.9 | 174.3 | -63.3 | -174.4 | 177.7 | -169.9 | 0 | 108.8 | K72 | K72-K74 PolarHBondContact O-N 2.79Š| ||
| 75 | V | 96.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 100.1 Ų | 100.1 | 25% | 0.248 | 49% | 0.491 | C | S | . | . | trans | -136 | 142.9 | 176.1 | -74.7 | 0 | 0 | 0 | 0 | 109.6 | R73 K77 Q79 T80 V89 | R73-V75 HydrophobicContact CB-CG2 4.47Å; R73-V75 HydrophobicContact CG-CG1 3.95Å; R73-V75 PolarHBondContact O-N 2.56Å; R73-V75 VanDerWaalsContact O-N 3.17Å; V75-K77 PolarHBondContact O-N 2.85Å; V75-Q79 WeakPolarHBondContact CB-O 3.44Å; V75-T80 HydrophobicContact CG1-CG2 4.33Å; V75-T80 HydrophobicContact CG2-CG2 4.49Å; V75-V89 HydrophobicContact CG2-CG1 4.18Å; V75-V89 HydrophobicContact CG2-CG2 3.9Å | ||
| 76 | T | 96.7 | Very high | 96.4 | Very high | 105 Ų | 105 | 100.3 Ų | 100.3 | 64% | 0.644 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -66.3 | 127 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 109 | G78 Q79 | T76-G78 PolarHBondContact O-N 3.2Å; T76-Q79 WeakPolarHBondContact O-CB 3.37Å; T76-Q79 PolarHBondContact O-N 3.2Å; T76-Q79 PolarHBondContact O-OE1 3.34Å |
| 77 | K | 96.3 | Very high | 96.3 | Very high | 195 Ų | 195 | 104.5 Ų | 104.5 | 85% | 0.848 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | 48.5 | 24.4 | 177.1 | -60.3 | -179.6 | -178.2 | -177.3 | 0 | 116 | V75 Q79 | V75-K77 PolarHBondContact O-N 2.85Å; K77-Q79 VanDerWaalsContact C-N 3.28Å; K77-Q79 HydrophobicContact CB-CG 4.4Å; K77-Q79 PolarHBondContact O-N 3.41Å |
| 78 | G | 95.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 98.8 Ų | 98.8 | 35% | 0.351 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | 80.3 | 2.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T76 T80 | T76-G78 PolarHBondContact O-N 3.2Å; G78-T80 PolarHBondContact O-N 3.26Å |
| 79 | Q | 96.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | trans | -76.3 | 102.5 | -176 | -60.5 | 168.3 | -59.3 | 0 | 0 | 110.6 | V75 T76 K77 Y81 | V75-Q79 WeakPolarHBondContact CB-O 3.44Å; T76-Q79 WeakPolarHBondContact O-CB 3.37Å; T76-Q79 PolarHBondContact O-N 3.2Å; T76-Q79 PolarHBondContact O-OE1 3.34Å; K77-Q79 VanDerWaalsContact C-N 3.28Å; K77-Q79 HydrophobicContact CB-CG 4.4Å; K77-Q79 PolarHBondContact O-N 3.41Å; Q79-Y81 HydrophobicContact CB-CD2 4.4Å; Q79-Y81 HydrophobicContact CB-CE2 3.83Å | ||
| 80 | T | 95.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 99 Ų | 99 | 18% | 0.178 | 51% | 0.507 | C | S | . | . | trans | -88.4 | -23.2 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | V75 G78 H87 V89 | V75-T80 HydrophobicContact CG1-CG2 4.33Å; V75-T80 HydrophobicContact CG2-CG2 4.49Å; G78-T80 PolarHBondContact O-N 3.26Å; T80-H87 WeakPolarHBondContact OG1-CA 3.11Å; T80-H87 PolarHBondContact OG1-CD2 3.05Å; T80-V89 HydrophobicContact CG2-CG2 3.81Å | ||
| 81 | Y | 95.1 | Very high | 96.2 | Very high | 166 Ų | 166 | 103.4 Ų | 103.4 | 65% | 0.651 | 53% | 0.525 | S | S | * | . | trans | 55.8 | 165.3 | -167.6 | -57 | -86.2 | 0 | 0 | 0 | 113.7 | Q79 | Q79-Y81 HydrophobicContact CB-CD2 4.4Å; Q79-Y81 HydrophobicContact CB-CE2 3.83Å | ||
| 82 | G | 94.7 | Very high | 96.3 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 68% | 0.68 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 77.7 | -154.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | H87 | G82-H87 PolarHBondContact O-NE2 3.16Š|
| 83 | K | 96.2 | Very high | 96.3 | Very high | 147 Ų | 147 | 104.4 Ų | 104.4 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | trans | -72.4 | 145 | -167.6 | -60.1 | -171.7 | 178.3 | -168.5 | 0 | 112.7 | K85 T86 H87 | K83-K85 HydrophobicContact CB-CG 4.16Å; K83-K85 PolarHBondContact O-N 3.12Å; K83-T86 PolarHBondContact O-N 3.47Å; K83-T86 PolarHBondContact O-OG1 3.41Å; K83-H87 PolarHBondContact O-CD2 3.4Å; K83-H87 PolarHBondContact O-NE2 2.94Å | ||
| 84 | P | 96.9 | Very high | 96.3 | Very high | 106 Ų | 106 | 102.3 Ų | 102.3 | 69% | 0.688 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -51.4 | -33.7 | 179.3 | -30.3 | 36 | 0 | 0 | 0 | 114.8 | T86 H87 | P84-T86 PolarHBondContact O-N 2.89Å; P84-H87 WeakPolarHBondContact O-CB 3.35Å; P84-H87 PolarHBondContact O-N 2.99Å; P84-H87 VanDerWaalsContact O-N 3.08Å |
| 85 | K | 97.2 | Very high | 96.2 | Very high | 179 Ų | 179 | 100.8 Ų | 100.8 | 78% | 0.778 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -54.6 | -22.7 | 177.2 | 75.5 | 177 | -176.3 | -179.9 | 0 | 114.7 | K83 | K83-K85 HydrophobicContact CB-CG 4.16Å; K83-K85 PolarHBondContact O-N 3.12Å |
| 86 | T | 96.3 | Very high | 96 | Very high | 59 Ų | 59 | 103.9 Ų | 103.9 | 36% | 0.362 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -110.5 | 6.3 | -178.1 | 45.4 | 0 | 0 | 0 | 0 | 114.7 | R73 K83 P84 G88 | R73-T86 PolarHBondContact NH2-O 2.95Å; R73-T86 VanDerWaalsContact NH2-O 3.08Å; K83-T86 PolarHBondContact O-N 3.47Å; K83-T86 PolarHBondContact O-OG1 3.41Å; P84-T86 PolarHBondContact O-N 2.89Å; T86-G88 PolarHBondContact O-N 3.27Å |
| 87 | H | 96.8 | Very high | 96 | Very high | 87 Ų | 87 | 102.1 Ų | 102.1 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | trans | -72.3 | -6.8 | -176.7 | -70.2 | -174.8 | 0 | 0 | 0 | 114.9 | T80 G82 K83 P84 V89 | T80-H87 WeakPolarHBondContact OG1-CA 3.11Å; T80-H87 PolarHBondContact OG1-CD2 3.05Å; G82-H87 PolarHBondContact O-NE2 3.16Å; K83-H87 PolarHBondContact O-CD2 3.4Å; K83-H87 PolarHBondContact O-NE2 2.94Å; P84-H87 WeakPolarHBondContact O-CB 3.35Å; P84-H87 PolarHBondContact O-N 2.99Å; P84-H87 VanDerWaalsContact O-N 3.08Å; H87-V89 PolarHBondContact O-N 2.95Å | ||
| 88 | G | 96.3 | Very high | 96 | Very high | 43 Ų | 43 | 93.9 Ų | 93.9 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | trans | -61.1 | 128.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R73 T86 | R73-G88 PolarHBondContact NE-O 3.08Å; R73-G88 VanDerWaalsContact NE-O 3.13Å; R73-G88 PolarHBondContact NH2-O 3.05Å; T86-G88 PolarHBondContact O-N 3.27Å | ||
| 89 | V | 97.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 93.7 Ų | 93.7 | 12% | 0.115 | 48% | 0.475 | C | S | . | . | trans | -118.5 | -49.4 | -178.6 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | K72 R73 V75 T80 H87 | K72-V89 WeakPolarHBondContact CA-O 3.41Å; K72-V89 HydrophobicContact CD-CG1 4.05Å; K72-V89 HydrophobicContact CG-CG1 3.56Å; R73-V89 HydrophobicContact CB-CG1 4.26Å; R73-V89 PolarHBondContact N-O 2.81Å; V75-V89 HydrophobicContact CG2-CG1 4.18Å; V75-V89 HydrophobicContact CG2-CG2 3.9Å; T80-V89 HydrophobicContact CG2-CG2 3.81Å; H87-V89 PolarHBondContact O-N 2.95Å | ||
| 90 | N | 96.1 | Very high | 96.3 | Very high | 117 Ų | 117 | 89.4 Ų | 89.4 | 63% | 0.626 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -87.9 | -42.2 | -163.6 | -67.2 | -27.4 | 0 | 0 | 0 | 114.6 | L92 | N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 PolarHBondContact O-N 2.95Å |
| 91 | Q | 96.3 | Very high | 96.4 | Very high | 174 Ų | 174 | 89.5 Ų | 89.5 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -91.3 | 22.2 | -170.7 | -63.6 | -178.9 | -7.8 | 0 | 0 | 114.2 | ||
| 92 | L | 96.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 81.6 Ų | 81.6 | 33% | 0.325 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 131.7 | -177.6 | -60.8 | 179.4 | 0 | 0 | 0 | 112.7 | N70 R71 R73 N90 | N70-L92 WeakPolarHBondContact CB-O 3.44Å; R71-L92 PolarHBondContact N-O 3.47Å; R71-L92 VanDerWaalsContact N-O 3.13Å; R73-L92 HydrophobicContact CB-CD1 3.77Å; R73-L92 HydrophobicContact CG-CD1 4.45Å; N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 PolarHBondContact O-N 2.95Å |
| 93 | K | 96.4 | Very high | 96.7 | Very high | 171 Ų | 171 | 78.4 Ų | 78.4 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -96.8 | 134.3 | 179.3 | -63.7 | 168.3 | -174.3 | 169 | 0 | 110.4 | ||
| 94 | P | 95.7 | Very high | 96.8 | Very high | 48 Ų | 48 | 72.6 Ų | 72.6 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 136.7 | 175 | 28.2 | -33.9 | 0 | 0 | 0 | 110.9 | R71 R96 | R71-P94 HydrophobicContact CG-CB 4.14Å; R71-P94 HydrophobicContact CG-CG 4.21Å; P94-R96 VanDerWaalsContact C-N 3.3Å; P94-R96 PolarHBondContact O-N 2.89Å |
| 95 | K | 94.5 | Very high | 96.9 | Very high | 177 Ų | 177 | 72.6 Ų | 72.6 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -62.2 | -35.7 | 177.1 | -176.7 | 177.2 | -179.1 | 176 | 0 | 113.2 | ||
| 96 | R | 94.7 | Very high | 96.9 | Very high | 105 Ų | 105 | 64.1 Ų | 64.1 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -91.7 | 140.8 | 178.4 | -67.4 | 179.9 | 177.7 | 163.5 | -2.3 | 109.8 | P94 I101 Q104 M161 | P94-R96 VanDerWaalsContact C-N 3.3Å; P94-R96 PolarHBondContact O-N 2.89Å; R96-I101 HydrophobicContact CB-CG1 4.4Å; R96-Q104 VanDerWaalsContact CZ-NE2 3.32Å; R96-Q104 VanDerWaalsContact NH1-CD 3.31Å; R96-M161 PolarHBondContact NH2-O 3.3Å |
| 97 | N | 95.2 | Very high | 97 | Very high | 69 Ų | 69 | 61.3 Ų | 61.3 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -61.6 | 146.9 | 172.5 | -176.3 | -4.3 | 0 | 0 | 0 | 110.7 | Q99 A100 I101 | N97-Q99 PolarHBondContact O-N 3.03Å; N97-Q99 PolarHBondContact OD1-N 2.87Å; N97-A100 WeakPolarHBondContact O-CB 3.36Å; N97-A100 PolarHBondContact O-N 3.17Å; N97-I101 PolarHBondContact O-N 3.22Å; N97-I101 VanDerWaalsContact O-N 3.07Å | ||
| 98 | L | 97.8 | Very high | 97 | Very high | 21 Ų | 21 | 66.1 Ų | 66.1 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -50.9 | -35.5 | 172.2 | -61.6 | 178.3 | 0 | 0 | 0 | 112.7 | I66 I101 A102 K128 Y130 | I66-L98 HydrophobicContact CG2-CB 4.11Å; I66-L98 HydrophobicContact CG2-CD2 3.84Å; I66-L98 HydrophobicContact CG2-CG 4.44Å; L98-I101 HydrophobicContact CD2-CD1 4.32Å; L98-I101 PolarHBondContact O-N 2.73Å; L98-A102 PolarHBondContact O-N 3Å; L98-K128 HydrophobicContact CD1-CD 4.1Å; L98-Y130 HydrophobicContact CB-CE2 4.41Å |
| 99 | Q | 98.1 | Very high | 97.1 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 174.8 | -173.4 | 178.3 | 3.9 | 0 | 0 | 112.5 | N97 I101 A102 E103 S118 Y130 A167 | N97-Q99 PolarHBondContact O-N 3.03Å; N97-Q99 PolarHBondContact OD1-N 2.87Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; Q99-A102 WeakPolarHBondContact O-CB 3.18Å; Q99-A102 PolarHBondContact O-N 3.2Å; Q99-E103 WeakPolarHBondContact O-CG 3.49Å; Q99-E103 PolarHBondContact O-N 3.45Å; Q99-S118 WeakPolarHBondContact CG-OG 3.38Å; Q99-S118 VanDerWaalsContact NE2-C 3.29Å; Q99-S118 PolarHBondContact NE2-O 2.88Å; Q99-S118 PolarHBondContact NE2-OG 3.2Å; Q99-Y130 HydrophobicContact CB-CD1 4.14Å; Q99-Y130 HydrophobicContact CB-CE1 3.64Å; Q99-Y130 HydrophobicContact CB-CE2 4.48Å; Q99-Y130 HydrophobicContact CG-CD1 3.8Å; Q99-Y130 HydrophobicContact CG-CE1 3.77Å; Q99-Y130 HydrophobicContact CG-CG 4.47Å; Q99-A167 HydrophobicContact CB-CB 4.09Å; Q99-A167 HydrophobicContact CG-CB 3.7Å |
| 100 | A | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.2 | -32.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N97 A102 E103 Q104 A167 | N97-A100 WeakPolarHBondContact O-CB 3.36Å; N97-A100 PolarHBondContact O-N 3.17Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A100-E103 PolarHBondContact O-N 3.18Å; A100-Q104 WeakPolarHBondContact O-CG 3.16Å; A100-Q104 PolarHBondContact O-N 2.72Å; A100-A167 HydrophobicContact CB-CB 4.31Å |
| 101 | I | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 65.3 Ų | 65.3 | 16% | 0.159 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 172.6 | -63.1 | 168.6 | 0 | 0 | 0 | 110.6 | I66 R96 N97 L98 Q99 Q104 R105 | I66-I101 HydrophobicContact CD1-CG2 4.23Å; R96-I101 HydrophobicContact CB-CG1 4.4Å; N97-I101 PolarHBondContact O-N 3.22Å; N97-I101 VanDerWaalsContact O-N 3.07Å; L98-I101 HydrophobicContact CD2-CD1 4.32Å; L98-I101 PolarHBondContact O-N 2.73Å; Q99-I101 VanDerWaalsContact C-N 3.33Å; I101-Q104 PolarHBondContact O-N 2.95Å; I101-R105 PolarHBondContact O-N 3.01Å |
| 102 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -51.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I64 I66 L98 Q99 A100 Q104 R105 V106 Y130 | I64-A102 HydrophobicContact CG2-CB 3.51Å; I66-A102 HydrophobicContact CD1-CB 4.2Å; I66-A102 HydrophobicContact CG1-CB 3.68Å; L98-A102 PolarHBondContact O-N 3Å; Q99-A102 WeakPolarHBondContact O-CB 3.18Å; Q99-A102 PolarHBondContact O-N 3.2Å; A100-A102 VanDerWaalsContact C-N 3.33Å; A102-Q104 VanDerWaalsContact C-N 3.27Å; A102-Q104 PolarHBondContact O-N 3.34Å; A102-R105 PolarHBondContact O-N 3.19Å; A102-V106 PolarHBondContact O-N 2.99Å; A102-V106 VanDerWaalsContact O-N 3.09Å; A102-Y130 HydrophobicContact CB-CD2 3.69Å; A102-Y130 HydrophobicContact CB-CE2 4.43Å; A102-Y130 HydrophobicContact CB-CG 4.13Å |
| 103 | E | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.6 | -43.1 | 176.2 | -69.7 | 172.7 | 171.3 | 0 | 0 | 111.8 | Q99 A100 V106 G107 V115 S118 V132 E160 T165 | Q99-E103 WeakPolarHBondContact O-CG 3.49Å; Q99-E103 PolarHBondContact O-N 3.45Å; A100-E103 PolarHBondContact O-N 3.18Å; E103-V106 PolarHBondContact O-N 3Å; E103-G107 PolarHBondContact O-N 3.28Å; E103-V115 HydrophobicContact CB-CG1 4.21Å; E103-V115 HydrophobicContact CG-CG1 4.16Å; E103-S118 WeakPolarHBondContact CG-OG 3.17Å; E103-S118 WeakPolarHBondContact OE1-CB 3.37Å; E103-S118 PolarHBondContact OE1-N 3.48Å; E103-S118 PolarHBondContact OE1-OG 2.88Å; E103-V132 HydrophobicContact CG-CG1 4.5Å; E103-E160 HydrophobicContact CB-CB 3.89Å; E103-T165 WeakPolarHBondContact OE2-CB 3.13Å; E103-T165 PolarHBondContact OE2-OG1 3.11Å |
| 104 | Q | 98.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.7 | -75.9 | 175.2 | -0.3 | 0 | 0 | 113.6 | R96 A100 I101 A102 R108 E160 | R96-Q104 VanDerWaalsContact CZ-NE2 3.32Å; R96-Q104 VanDerWaalsContact NH1-CD 3.31Å; A100-Q104 WeakPolarHBondContact O-CG 3.16Å; A100-Q104 PolarHBondContact O-N 2.72Å; I101-Q104 PolarHBondContact O-N 2.95Å; A102-Q104 VanDerWaalsContact C-N 3.27Å; A102-Q104 PolarHBondContact O-N 3.34Å; Q104-R108 VanDerWaalsContact O-CG 3.31Å; Q104-R108 WeakPolarHBondContact O-CG 3.17Å; Q104-R108 PolarHBondContact O-N 2.9Å; Q104-E160 HydrophobicContact CG-CB 4.37Å; Q104-E160 HydrophobicContact CG-CG 4.29Å; Q104-E160 WeakPolarHBondContact CG-O 3.44Å; Q104-E160 PolarHBondContact NE2-O 3.31Å |
| 105 | R | 98.3 | Very high | 97.4 | Very high | 107 Ų | 107 | 50.4 Ų | 50.4 | 40% | 0.404 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.4 | -43 | 177.6 | -75.5 | -176.3 | 180 | -164.3 | -7.9 | 111.5 | I36 I64 I101 A102 R108 L109 | I36-R105 HydrophobicContact CD1-CB 4.18Å; I64-R105 HydrophobicContact CD1-CB 3.4Å; I64-R105 VanDerWaalsContact CD1-CB 3.4Å; I64-R105 HydrophobicContact CD1-CG 4.31Å; I101-R105 PolarHBondContact O-N 3.01Å; A102-R105 PolarHBondContact O-N 3.19Å; R105-R108 PolarHBondContact O-N 2.86Å; R105-L109 PolarHBondContact O-N 2.92Å; R105-L109 VanDerWaalsContact O-N 3.16Å |
| 106 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 176 | 174 | 0 | 0 | 0 | 0 | 111.2 | I36 Y62 I64 A102 E103 R108 L109 C110 V132 L134 | I36-V106 HydrophobicContact CG2-CG2 4.19Å; Y62-V106 HydrophobicContact CG-CG1 4.33Å; I64-V106 HydrophobicContact CB-CG2 3.83Å; I64-V106 HydrophobicContact CD1-CG2 3.81Å; I64-V106 HydrophobicContact CG1-CG2 4.42Å; I64-V106 HydrophobicContact CG2-CG2 3.82Å; A102-V106 PolarHBondContact O-N 2.99Å; A102-V106 VanDerWaalsContact O-N 3.09Å; E103-V106 PolarHBondContact O-N 3Å; V106-R108 VanDerWaalsContact C-N 3.27Å; V106-R108 PolarHBondContact O-N 3.02Å; V106-L109 PolarHBondContact O-N 3.09Å; V106-C110 PolarHBondContact O-N 3.04Å; V106-V132 HydrophobicContact CB-CB 4.32Å; V106-V132 HydrophobicContact CB-CG1 4.31Å; V106-V132 HydrophobicContact CB-CG2 4.19Å; V106-V132 HydrophobicContact CG1-CB 4.1Å; V106-V132 HydrophobicContact CG1-CG1 4.04Å; V106-V132 HydrophobicContact CG2-CB 4.24Å; V106-V132 HydrophobicContact CG2-CG2 3.81Å; V106-L134 HydrophobicContact CG1-CD1 3.48Å; V106-L134 VanDerWaalsContact CG1-CD1 3.48Å; V106-L134 HydrophobicContact CG1-CD2 4.29Å; V106-L134 HydrophobicContact CG1-CG 4.1Å |
| 107 | G | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -28.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E103 | E103-G107 PolarHBondContact O-N 3.28Å |
| 108 | R | 97.7 | Very high | 98 | Very high | 187 Ų | 187 | 35.4 Ų | 35.4 | 71% | 0.706 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -71.2 | -44.1 | 170.7 | -76.7 | 179.6 | -177.9 | -165.6 | -2.9 | 112.4 | Q104 R105 V106 M161 | Q104-R108 VanDerWaalsContact O-CG 3.31Å; Q104-R108 WeakPolarHBondContact O-CG 3.17Å; Q104-R108 PolarHBondContact O-N 2.9Å; R105-R108 PolarHBondContact O-N 2.86Å; V106-R108 VanDerWaalsContact C-N 3.27Å; V106-R108 PolarHBondContact O-N 3.02Å; R108-M161 HydrophobicContact CB-CE 4.48Å; R108-M161 HydrophobicContact CG-CE 3.49Å; R108-M161 VanDerWaalsContact CG-CE 3.49Å |
| 109 | L | 97.3 | Very high | 98 | Very high | 108 Ų | 108 | 34.7 Ų | 34.7 | 57% | 0.565 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65 | -45.7 | 178.2 | -178.8 | 69.4 | 0 | 0 | 0 | 111.1 | I36 Y62 R105 V106 G111 | I36-L109 HydrophobicContact CB-CD2 4.02Å; I36-L109 HydrophobicContact CD1-CB 4.49Å; I36-L109 HydrophobicContact CD1-CD2 4.17Å; I36-L109 HydrophobicContact CG2-CD2 3.54Å; Y62-L109 HydrophobicContact CE1-CD2 4.47Å; R105-L109 PolarHBondContact O-N 2.92Å; R105-L109 VanDerWaalsContact O-N 3.16Å; V106-L109 PolarHBondContact O-N 3.09Å; L109-G111 PolarHBondContact O-N 3.05Å |
| 110 | C | 96.9 | Very high | 98 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.095 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 58.7 | -176.7 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | V106 A112 L113 L134 | V106-C110 PolarHBondContact O-N 3.04Å; C110-A112 VanDerWaalsContact C-N 3.27Å; C110-A112 PolarHBondContact O-N 3.45Å; C110-L113 HydrophobicContact CB-CB 4.2Å; C110-L113 HydrophobicContact CB-CD1 4Å; C110-L113 HydrophobicContact CB-CG 4.24Å; C110-L113 PolarHBondContact O-N 2.59Å; C110-L134 HydrophobicContact CB-CD1 3.93Å |
| 111 | G | 95.9 | Very high | 98 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -29.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L109 L113 | L109-G111 PolarHBondContact O-N 3.05Å; G111-L113 VanDerWaalsContact C-N 3.33Å |
| 112 | A | 97.8 | Very high | 98 | Very high | 86 Ų | 86 | 34.4 Ų | 34.4 | 71% | 0.711 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -23.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C110 P137 | C110-A112 VanDerWaalsContact C-N 3.27Å; C110-A112 PolarHBondContact O-N 3.45Å; A112-P137 WeakPolarHBondContact O-CD 3.26Å |
| 113 | L | 98.1 | Very high | 97.9 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -90.1 | 165.7 | -176.2 | -56.3 | -176.1 | 0 | 0 | 0 | 111.6 | V60 C110 G111 L134 D136 | V60-L113 HydrophobicContact CG2-CD1 3.67Å; C110-L113 HydrophobicContact CB-CB 4.2Å; C110-L113 HydrophobicContact CB-CD1 4Å; C110-L113 HydrophobicContact CB-CG 4.24Å; C110-L113 PolarHBondContact O-N 2.59Å; G111-L113 VanDerWaalsContact C-N 3.33Å; L113-L134 HydrophobicContact CB-CB 4.32Å; L113-L134 HydrophobicContact CB-CD2 4Å; L113-L134 HydrophobicContact CD1-CB 4.15Å; L113-L134 HydrophobicContact CD1-CD1 4.08Å; L113-D136 HydrophobicContact CD2-CB 3.74Å |
| 114 | R | 98.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.2 | 178.4 | -56 | -62.5 | 177.3 | 83.8 | 2.9 | 110.7 | L116 L134 I135 P137 I151 C152 K153 | R114-L116 PolarHBondContact O-N 2.86Å; R114-L134 CarbonylContact O-C 3.58Å; R114-L134 WeakPolarHBondContact O-CA 3.47Å; R114-I135 PolarHBondContact N-O 3.07Å; R114-I135 PolarHBondContact O-N 3.44Å; R114-P137 HydrophobicContact CG-CB 4.1Å; R114-P137 HydrophobicContact CG-CG 3.99Å; R114-I151 HydrophobicContact CB-CD1 3.67Å; R114-I151 HydrophobicContact CB-CG1 3.81Å; R114-I151 HydrophobicContact CG-CG1 4.26Å; R114-I151 PolarHBondContact NH1-O 2.88Å; R114-C152 PolarHBondContact NH2-O 3.49Å; R114-K153 PolarHBondContact NH1-O 3.07Å |
| 115 | V | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.6 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | E103 V132 L134 R159 E160 T165 | E103-V115 HydrophobicContact CB-CG1 4.21Å; E103-V115 HydrophobicContact CG-CG1 4.16Å; V115-V132 HydrophobicContact CG1-CG1 3.8Å; V115-V132 HydrophobicContact CG2-CG1 4.34Å; V115-L134 HydrophobicContact CB-CD2 4.34Å; V115-L134 HydrophobicContact CG2-CD2 3.6Å; V115-R159 PolarHBondContact O-NH1 2.86Å; V115-E160 HydrophobicContact CB-CB 4.18Å; V115-E160 HydrophobicContact CB-CG 4.43Å; V115-E160 HydrophobicContact CG1-CB 4.31Å; V115-E160 HydrophobicContact CG2-CB 4.16Å; V115-E160 HydrophobicContact CG2-CG 3.93Å; V115-T165 HydrophobicContact CG1-CG2 3.93Å |
| 116 | L | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -62.7 | 175 | -178.5 | 66.7 | 0 | 0 | 0 | 110.7 | F59 R114 I133 I135 I148 W150 I151 R159 | F59-L116 HydrophobicContact CE1-CD2 4.08Å; R114-L116 PolarHBondContact O-N 2.86Å; L116-I133 HydrophobicContact CB-CB 4.29Å; L116-I133 HydrophobicContact CB-CG2 4.12Å; L116-I133 HydrophobicContact CD2-CG2 3.92Å; L116-I133 PolarHBondContact N-O 3.31Å; L116-I135 HydrophobicContact CB-CD1 4Å; L116-I135 HydrophobicContact CB-CG1 4.45Å; L116-I135 HydrophobicContact CD1-CD1 4.02Å; L116-I135 HydrophobicContact CD2-CD1 3.95Å; L116-I135 HydrophobicContact CG-CD1 4.2Å; L116-I148 HydrophobicContact CD1-CD1 4.32Å; L116-W150 HydrophobicContact CD1-CH2 4.06Å; L116-W150 HydrophobicContact CD1-CZ2 3.93Å; L116-I151 HydrophobicContact CB-CD1 4.47Å; L116-I151 HydrophobicContact CD1-CD1 4.1Å; L116-R159 PolarHBondContact O-NH1 3.5Å |
| 117 | N | 98.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 175.3 | -175.8 | -90.4 | -37 | 0 | 0 | 0 | 109.7 | L51 I133 A166 | L51-N117 HydrophobicContact CB-CB 4.05Å; L51-N117 PolarHBondContact O-ND2 3Å; N117-I133 PolarHBondContact O-N 3.03Å; N117-A166 VanDerWaalsContact OD1-CB 3.31Å; N117-A166 WeakPolarHBondContact OD1-CB 3.1Å; N117-A166 PolarHBondContact OD1-N 3.21Å |
| 118 | S | 98.5 | Very high | 97.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 164.6 | 174.2 | 63.5 | 0 | 0 | 0 | 0 | 112 | L51 Q99 E103 E131 | L51-S118 WeakPolarHBondContact CD1-O 3.39Å; Q99-S118 WeakPolarHBondContact CG-OG 3.38Å; Q99-S118 VanDerWaalsContact NE2-C 3.29Å; Q99-S118 PolarHBondContact NE2-O 2.88Å; Q99-S118 PolarHBondContact NE2-OG 3.2Å; E103-S118 WeakPolarHBondContact CG-OG 3.17Å; E103-S118 WeakPolarHBondContact OE1-CB 3.37Å; E103-S118 PolarHBondContact OE1-N 3.48Å; E103-S118 PolarHBondContact OE1-OG 2.88Å; S118-E131 CarbonylContact C-O 3.56Å; S118-E131 WeakPolarHBondContact CA-O 3.39Å; S118-E131 WeakPolarHBondContact CB-O 3.2Å |
| 119 | Y | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.02 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.5 | 173.6 | 54 | -87.2 | 0 | 0 | 0 | 112.6 | P42 R44 K47 A48 L51 V121 Y130 E131 I133 | P42-Y119 VanDerWaalsContact CB-OH 3.29Å; P42-Y119 WeakPolarHBondContact CB-OH 3.38Å; R44-Y119 HydrophobicContact CB-CD2 4.43Å; R44-Y119 HydrophobicContact CB-CE2 3.96Å; R44-Y119 HydrophobicContact CG-CE2 4.42Å; K47-Y119 HydrophobicContact CG-CD2 4.29Å; K47-Y119 HydrophobicContact CG-CG 3.99Å; A48-Y119 HydrophobicContact CB-CE1 3.78Å; L51-Y119 HydrophobicContact CD1-CD1 3.72Å; L51-Y119 HydrophobicContact CD1-CG 4.13Å; Y119-V121 HydrophobicContact CD2-CG1 3.76Å; Y119-V121 HydrophobicContact CE2-CG1 3.57Å; Y119-Y130 CarbonylContact O-C 3.54Å; Y119-Y130 VanDerWaalsContact O-CA 3.23Å; Y119-Y130 WeakPolarHBondContact O-CA 3.39Å; Y119-E131 HydrophobicContact CD2-CB 4.27Å; Y119-E131 HydrophobicContact CE1-CB 4.07Å; Y119-E131 HydrophobicContact CE2-CB 3.66Å; Y119-E131 HydrophobicContact CE2-CG 4.33Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.25Å; Y119-E131 PolarHBondContact N-O 3.28Å; Y119-E131 PolarHBondContact O-N 2.7Å; Y119-E131 PolarHBondContact OH-OE2 3.16Å; Y119-I133 HydrophobicContact CD1-CD1 4.3Å; Y119-I133 HydrophobicContact CE1-CD1 4.05Å; Y119-I133 HydrophobicContact CE1-CG1 4.05Å |
| 120 | W | 98.3 | Very high | 97.8 | Very high | 58 Ų | 58 | 31.9 Ų | 31.9 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.9 | 176.5 | 179.3 | 90.2 | 0 | 0 | 0 | 111.2 | W11 K14 L23 G122 Q123 Y130 | W11-W120 HydrophobicContact CZ3-CZ3 4.02Å; K14-W120 HydrophobicContact CD-CH2 4.4Å; K14-W120 HydrophobicContact CD-CZ3 4.02Å; L23-W120 HydrophobicContact CD1-CH2 4.14Å; L23-W120 HydrophobicContact CD2-CH2 4.03Å; L23-W120 HydrophobicContact CD2-CZ3 4.28Å; W120-G122 PolarHBondContact NE1-O 3.06Å; W120-Q123 HydrophobicContact CZ2-CB 4.12Å; W120-Q123 HydrophobicContact CZ2-CG 3.97Å; W120-Y130 HydrophobicContact CB-CD1 4.14Å; W120-Y130 HydrophobicContact CB-CE1 4.05Å |
| 121 | V | 97.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | -21.2 | 178.1 | -64.5 | 0 | 0 | 0 | 0 | 114.4 | L23 Y30 Y119 Y129 E131 | L23-V121 WeakPolarHBondContact CD2-O 3.39Å; Y30-V121 HydrophobicContact CE2-CG2 3.96Å; Y119-V121 HydrophobicContact CD2-CG1 3.76Å; Y119-V121 HydrophobicContact CE2-CG1 3.57Å; V121-Y129 WeakPolarHBondContact CG2-O 3.26Å; V121-Y129 PolarHBondContact N-O 3.26Å; V121-E131 HydrophobicContact CG1-CB 4.06Å; V121-E131 HydrophobicContact CG1-CG 3.7Å; V121-E131 HydrophobicContact CG2-CG 4.35Å |
| 122 | G | 97.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 164.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W120 Y129 | W120-G122 PolarHBondContact NE1-O 3.06Å; G122-Y129 PolarHBondContact O-N 3.04Å |
| 123 | Q | 97.5 | Very high | 98.1 | Very high | 84 Ų | 84 | 25.1 Ų | 25.1 | 39% | 0.393 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 148.4 | 170.5 | 74.9 | -172.1 | 23.7 | 0 | 0 | 110.4 | W120 F127 K128 | W120-Q123 HydrophobicContact CZ2-CB 4.12Å; W120-Q123 HydrophobicContact CZ2-CG 3.97Å; Q123-F127 WeakPolarHBondContact CA-O 3.33Å; Q123-K128 HydrophobicContact CB-CG 3.81Å |
| 124 | D | 96.3 | Very high | 98.1 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | trans | -118.9 | -171.1 | 163.4 | 53.4 | 31 | 0 | 0 | 0 | 108.9 | V27 R31 R68 T126 F127 Y129 | V27-D124 HydrophobicContact CG1-CB 3.71Å; R31-D124 IonicContact CZ-OD2 3.4Å; R31-D124 IonicContact NE-OD2 3.21Å; R31-D124 PolarHBondContact NE-OD2 3.43Å; R31-D124 VanDerWaalsContact NH2-CB 3.26Å; R31-D124 IonicContact NH2-OD2 2.73Å; R31-D124 PolarHBondContact NH2-OD2 2.84Å; R68-D124 WeakPolarHBondContact CD-O 3.48Å; R68-D124 PolarHBondContact NH1-O 3.06Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 PolarHBondContact O-N 3Å; D124-T126 PolarHBondContact OD1-N 3.01Å; D124-F127 PolarHBondContact N-O 3.25Å; D124-F127 WeakPolarHBondContact OD1-CA 3.43Å; D124-F127 WeakPolarHBondContact OD1-CB 3.36Å; D124-F127 PolarHBondContact OD1-N 3.44Å; D124-Y129 PolarHBondContact OD2-OH 2.73Å; D124-Y129 VanDerWaalsContact OD2-OH 3.09Å | ||
| 125 | S | 96.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 22.6 Ų | 22.6 | 71% | 0.713 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -56.9 | -39.5 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | R68 | R68-S125 WeakPolarHBondContact CD-O 3.38Š|
| 126 | T | 97.7 | Very high | 98.1 | Very high | 59 Ų | 59 | 24.7 Ų | 24.7 | 36% | 0.362 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -92.7 | -32.9 | -169.8 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | R67 R68 D124 | R67-T126 CarbonylContact C-O 3.54Å; R67-T126 VanDerWaalsContact CA-O 3.31Å; R67-T126 WeakPolarHBondContact CA-O 3.41Å; R67-T126 HydrophobicContact CG-CG2 4.42Å; R67-T126 WeakPolarHBondContact CG-O 3.49Å; R68-T126 PolarHBondContact N-O 3.09Å; D124-T126 VanDerWaalsContact C-N 3.28Å; D124-T126 PolarHBondContact O-N 3Å; D124-T126 PolarHBondContact OD1-N 3.01Å |
| 127 | F | 98.5 | Very high | 98.1 | Very high | 44 Ų | 44 | 24.5 Ų | 24.5 | 19% | 0.193 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.3 | -167 | -59.9 | -72.1 | 0 | 0 | 0 | 112.9 | R65 I66 R67 R68 Q123 D124 Y129 | R65-F127 HydrophobicContact CB-CB 4.39Å; R65-F127 HydrophobicContact CB-CD1 4.35Å; R65-F127 HydrophobicContact CB-CG 4.47Å; R65-F127 HydrophobicContact CG-CD1 4.18Å; R65-F127 HydrophobicContact CG-CE1 4.49Å; I66-F127 CarbonylContact O-C 3.59Å; I66-F127 WeakPolarHBondContact O-CA 3.49Å; R67-F127 HydrophobicContact CB-CD1 4.13Å; R67-F127 HydrophobicContact CB-CE1 4.03Å; R67-F127 HydrophobicContact CG-CE1 4.45Å; R68-F127 WeakPolarHBondContact CD-O 3.4Å; Q123-F127 WeakPolarHBondContact CA-O 3.33Å; D124-F127 PolarHBondContact N-O 3.25Å; D124-F127 WeakPolarHBondContact OD1-CA 3.43Å; D124-F127 WeakPolarHBondContact OD1-CB 3.36Å; D124-F127 PolarHBondContact OD1-N 3.44Å; F127-Y129 HydrophobicContact CB-CE2 3.91Å |
| 128 | K | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 29.1 Ų | 29.1 | 24% | 0.243 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.5 | 161.8 | -84.4 | -179.4 | -178.2 | -170 | 0 | 108.6 | I66 R68 L98 Q123 Y130 | I66-K128 PolarHBondContact N-O 2.88Å; I66-K128 PolarHBondContact O-N 2.83Å; R68-K128 HydrophobicContact CG-CB 4.34Å; R68-K128 HydrophobicContact CG-CD 4.4Å; R68-K128 HydrophobicContact CG-CG 3.8Å; L98-K128 HydrophobicContact CD1-CD 4.1Å; Q123-K128 HydrophobicContact CB-CG 3.81Å; K128-Y130 HydrophobicContact CB-CE2 3.75Å; K128-Y130 WeakPolarHBondContact CD-OH 3.44Å |
| 129 | Y | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.6 | -179.2 | -57.8 | -93.1 | 0 | 0 | 0 | 109.6 | V27 Y30 I64 R65 V121 G122 D124 F127 | V27-Y129 HydrophobicContact CG1-CE2 3.78Å; V27-Y129 HydrophobicContact CG2-CD2 4.3Å; V27-Y129 HydrophobicContact CG2-CE2 4.33Å; Y30-Y129 HydrophobicContact CD2-CD1 4.09Å; Y30-Y129 HydrophobicContact CD2-CG 4.09Å; Y30-Y129 HydrophobicContact CG-CD1 4.35Å; I64-Y129 WeakPolarHBondContact O-CA 3.37Å; R65-Y129 HydrophobicContact CB-CD1 3.64Å; R65-Y129 HydrophobicContact CB-CE1 3.55Å; V121-Y129 WeakPolarHBondContact CG2-O 3.26Å; V121-Y129 PolarHBondContact N-O 3.26Å; G122-Y129 PolarHBondContact O-N 3.04Å; D124-Y129 PolarHBondContact OD2-OH 2.73Å; D124-Y129 VanDerWaalsContact OD2-OH 3.09Å; F127-Y129 HydrophobicContact CB-CE2 3.91Å |
| 130 | Y | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 147.7 | 176.8 | -59.7 | -82.4 | 0 | 0 | 0 | 110.1 | R63 I64 I66 L98 Q99 A102 Y119 W120 K128 | R63-Y130 CarbonylContact C-O 3.49Å; R63-Y130 WeakPolarHBondContact CA-O 3.35Å; I64-Y130 PolarHBondContact N-O 3.2Å; I64-Y130 PolarHBondContact O-N 2.88Å; I66-Y130 HydrophobicContact CG1-CD2 4.42Å; L98-Y130 HydrophobicContact CB-CE2 4.41Å; Q99-Y130 HydrophobicContact CB-CD1 4.14Å; Q99-Y130 HydrophobicContact CB-CE1 3.64Å; Q99-Y130 HydrophobicContact CB-CE2 4.48Å; Q99-Y130 HydrophobicContact CG-CD1 3.8Å; Q99-Y130 HydrophobicContact CG-CE1 3.77Å; Q99-Y130 HydrophobicContact CG-CG 4.47Å; A102-Y130 HydrophobicContact CB-CD2 3.69Å; A102-Y130 HydrophobicContact CB-CE2 4.43Å; A102-Y130 HydrophobicContact CB-CG 4.13Å; Y119-Y130 CarbonylContact O-C 3.54Å; Y119-Y130 VanDerWaalsContact O-CA 3.23Å; Y119-Y130 WeakPolarHBondContact O-CA 3.39Å; W120-Y130 HydrophobicContact CB-CD1 4.14Å; W120-Y130 HydrophobicContact CB-CE1 4.05Å; K128-Y130 HydrophobicContact CB-CE2 3.75Å; K128-Y130 WeakPolarHBondContact CD-OH 3.44Å |
| 131 | E | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.9 | 164.1 | -77.6 | 179.6 | 174.5 | 0 | 0 | 108.6 | T43 I61 Y62 R63 S118 Y119 V121 | T43-E131 WeakPolarHBondContact CB-OE1 3.4Å; T43-E131 WeakPolarHBondContact CB-OE2 3.49Å; T43-E131 PolarHBondContact N-OE2 3.23Å; T43-E131 PolarHBondContact OG1-OE1 3.38Å; I61-E131 HydrophobicContact CG2-CB 3.89Å; I61-E131 HydrophobicContact CG2-CG 4.02Å; Y62-E131 CarbonylContact O-C 3.51Å; Y62-E131 WeakPolarHBondContact O-CA 3.49Å; R63-E131 HydrophobicContact CB-CG 4.2Å; R63-E131 HydrophobicContact CG-CG 4.13Å; R63-E131 IonicContact CZ-OE1 3.37Å; R63-E131 IonicContact NE-OE1 3.05Å; R63-E131 PolarHBondContact NE-OE1 3.28Å; R63-E131 IonicContact NH2-OE1 2.81Å; R63-E131 PolarHBondContact NH2-OE1 3.39Å; S118-E131 CarbonylContact C-O 3.56Å; S118-E131 WeakPolarHBondContact CA-O 3.39Å; S118-E131 WeakPolarHBondContact CB-O 3.2Å; Y119-E131 HydrophobicContact CD2-CB 4.27Å; Y119-E131 HydrophobicContact CE1-CB 4.07Å; Y119-E131 HydrophobicContact CE2-CB 3.66Å; Y119-E131 HydrophobicContact CE2-CG 4.33Å; Y119-E131 WeakPolarHBondContact CE2-OE2 3.25Å; Y119-E131 PolarHBondContact N-O 3.28Å; Y119-E131 PolarHBondContact O-N 2.7Å; Y119-E131 PolarHBondContact OH-OE2 3.16Å; V121-E131 HydrophobicContact CG1-CB 4.06Å; V121-E131 HydrophobicContact CG1-CG 3.7Å; V121-E131 HydrophobicContact CG2-CG 4.35Å |
| 132 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | I61 Y62 I64 E103 V106 V115 L134 | I61-V132 WeakPolarHBondContact CA-O 3.23Å; Y62-V132 PolarHBondContact N-O 3.25Å; Y62-V132 PolarHBondContact O-N 3.37Å; I64-V132 HydrophobicContact CG2-CG2 3.97Å; E103-V132 HydrophobicContact CG-CG1 4.5Å; V106-V132 HydrophobicContact CB-CB 4.32Å; V106-V132 HydrophobicContact CB-CG1 4.31Å; V106-V132 HydrophobicContact CB-CG2 4.19Å; V106-V132 HydrophobicContact CG1-CB 4.1Å; V106-V132 HydrophobicContact CG1-CG1 4.04Å; V106-V132 HydrophobicContact CG2-CB 4.24Å; V106-V132 HydrophobicContact CG2-CG2 3.81Å; V115-V132 HydrophobicContact CG1-CG1 3.8Å; V115-V132 HydrophobicContact CG2-CG1 4.34Å; V132-L134 HydrophobicContact CG1-CG 4.45Å |
| 133 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 118.3 | 175.5 | -55.7 | 160.6 | 0 | 0 | 0 | 107.3 | A48 L51 Y53 F59 L116 N117 Y119 | A48-I133 HydrophobicContact CB-CD1 4.45Å; L51-I133 HydrophobicContact CB-CD1 3.94Å; Y53-I133 HydrophobicContact CD2-CG2 4.27Å; F59-I133 HydrophobicContact CD1-CG2 3.98Å; F59-I133 HydrophobicContact CE1-CG2 4.33Å; L116-I133 HydrophobicContact CB-CB 4.29Å; L116-I133 HydrophobicContact CB-CG2 4.12Å; L116-I133 HydrophobicContact CD2-CG2 3.92Å; L116-I133 PolarHBondContact N-O 3.31Å; N117-I133 PolarHBondContact O-N 3.03Å; Y119-I133 HydrophobicContact CD1-CD1 4.3Å; Y119-I133 HydrophobicContact CE1-CD1 4.05Å; Y119-I133 HydrophobicContact CE1-CG1 4.05Å |
| 134 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.3 | 176.5 | -75 | 163.2 | 0 | 0 | 0 | 109.5 | V60 Y62 V106 C110 L113 R114 V115 V132 | V60-L134 HydrophobicContact CG2-CB 3.53Å; V60-L134 HydrophobicContact CG2-CD1 4.28Å; V60-L134 PolarHBondContact N-O 3.44Å; V60-L134 PolarHBondContact O-N 3.34Å; Y62-L134 HydrophobicContact CD2-CD1 3.41Å; Y62-L134 VanDerWaalsContact CD2-CD1 3.41Å; Y62-L134 HydrophobicContact CE2-CD1 3.96Å; Y62-L134 HydrophobicContact CG-CD1 3.98Å; V106-L134 HydrophobicContact CG1-CD1 3.48Å; V106-L134 VanDerWaalsContact CG1-CD1 3.48Å; V106-L134 HydrophobicContact CG1-CD2 4.29Å; V106-L134 HydrophobicContact CG1-CG 4.1Å; C110-L134 HydrophobicContact CB-CD1 3.93Å; L113-L134 HydrophobicContact CB-CB 4.32Å; L113-L134 HydrophobicContact CB-CD2 4Å; L113-L134 HydrophobicContact CD1-CB 4.15Å; L113-L134 HydrophobicContact CD1-CD1 4.08Å; R114-L134 CarbonylContact O-C 3.58Å; R114-L134 WeakPolarHBondContact O-CA 3.47Å; V115-L134 HydrophobicContact CB-CD2 4.34Å; V115-L134 HydrophobicContact CG2-CD2 3.6Å; V132-L134 HydrophobicContact CG1-CG 4.45Å |
| 135 | I | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.5 | 176.1 | -66.4 | 169.1 | 0 | 0 | 0 | 108.9 | G58 F59 R114 L116 P137 I142 I148 I151 | G58-I135 CarbonylContact O-C 3.53Å; G58-I135 VanDerWaalsContact O-CA 3.32Å; G58-I135 WeakPolarHBondContact O-CA 3.34Å; F59-I135 HydrophobicContact CD1-CD1 4.41Å; F59-I135 HydrophobicContact CD1-CG1 3.93Å; F59-I135 HydrophobicContact CE1-CD1 3.7Å; F59-I135 HydrophobicContact CE1-CG1 3.73Å; F59-I135 HydrophobicContact CE2-CD1 4.43Å; F59-I135 HydrophobicContact CE2-CG1 4.38Å; F59-I135 HydrophobicContact CG-CG1 4.39Å; F59-I135 HydrophobicContact CZ-CD1 3.73Å; F59-I135 HydrophobicContact CZ-CG1 3.99Å; R114-I135 PolarHBondContact N-O 3.07Å; R114-I135 PolarHBondContact O-N 3.44Å; L116-I135 HydrophobicContact CB-CD1 4Å; L116-I135 HydrophobicContact CB-CG1 4.45Å; L116-I135 HydrophobicContact CD1-CD1 4.02Å; L116-I135 HydrophobicContact CD2-CD1 3.95Å; L116-I135 HydrophobicContact CG-CD1 4.2Å; I135-P137 WeakPolarHBondContact O-CD 3.34Å; I135-I142 HydrophobicContact CG2-CB 4.36Å; I135-I142 HydrophobicContact CG2-CD1 4.05Å; I135-I142 HydrophobicContact CG2-CG1 3.96Å; I135-I142 HydrophobicContact CG2-CG2 3.53Å; I135-I148 HydrophobicContact CD1-CD1 3.7Å; I135-I148 HydrophobicContact CD1-CG1 3.69Å; I135-I151 HydrophobicContact CB-CD1 4.29Å; I135-I151 HydrophobicContact CB-CG2 4.45Å; I135-I151 HydrophobicContact CD1-CD1 3.7Å; I135-I151 HydrophobicContact CD1-CG2 4.25Å; I135-I151 HydrophobicContact CG1-CD1 4.46Å; I135-I151 HydrophobicContact CG2-CG2 3.91Å |
| 136 | D | 98.4 | Very high | 98.2 | Very high | 45 Ų | 45 | 49.7 Ų | 49.7 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | trans | -80.2 | 110.8 | 167 | 180 | -0.4 | 0 | 0 | 0 | 110.4 | G58 L113 M138 H139 I142 | G58-D136 PolarHBondContact O-N 3.18Å; L113-D136 HydrophobicContact CD2-CB 3.74Å; D136-M138 VanDerWaalsContact C-N 3.26Å; D136-M138 PolarHBondContact O-N 3.28Å; D136-M138 PolarHBondContact OD1-N 2.89Å; D136-H139 HydrophobicContact CB-CB 4.13Å; D136-H139 PolarHBondContact OD1-N 2.85Å; D136-I142 WeakPolarHBondContact O-CB 3.36Å; D136-I142 WeakPolarHBondContact O-CG1 3.37Å | ||
| 137 | P | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.2 | -11.6 | -179.7 | 33.8 | -36.6 | 0 | 0 | 0 | 113.9 | A112 R114 I135 R143 C152 | A112-P137 WeakPolarHBondContact O-CD 3.26Å; R114-P137 HydrophobicContact CG-CB 4.1Å; R114-P137 HydrophobicContact CG-CG 3.99Å; I135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-R143 WeakPolarHBondContact O-CD 3.33Å; P137-R143 WeakPolarHBondContact O-CG 3.33Å; P137-C152 HydrophobicContact CB-CB 4.33Å; P137-C152 PolarHBondContact O-SG 2.85Å |
| 138 | M | 97.9 | Very high | 98.1 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 61% | 0.606 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -92.7 | -21.2 | -179.9 | -64.3 | -57.9 | 115.7 | 0 | 0 | 112.3 | D136 K140 R143 | D136-M138 VanDerWaalsContact C-N 3.26Å; D136-M138 PolarHBondContact O-N 3.28Å; D136-M138 PolarHBondContact OD1-N 2.89Å; M138-K140 PolarHBondContact O-N 3.31Å; M138-R143 WeakPolarHBondContact O-CD 3.31Å |
| 139 | H | 98.3 | Very high | 98.1 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -62.8 | 130.4 | 179.6 | -159 | -77.5 | 0 | 0 | 0 | 112.9 | Q57 D136 A141 I142 R143 | Q57-H139 WeakPolarHBondContact CB-CE1 3.25Å; Q57-H139 PolarHBondContact OE1-CE1 3.24Å; D136-H139 HydrophobicContact CB-CB 4.13Å; D136-H139 PolarHBondContact OD1-N 2.85Å; H139-A141 VanDerWaalsContact C-N 3.31Å; H139-A141 WeakPolarHBondContact ND1-CB 3.39Å; H139-A141 PolarHBondContact ND1-N 3.21Å; H139-A141 PolarHBondContact O-N 2.73Å; H139-I142 HydrophobicContact CB-CG1 4.14Å; H139-I142 WeakPolarHBondContact O-CB 3.31Å; H139-I142 PolarHBondContact O-N 3.07Å; H139-R143 PolarHBondContact O-N 3.16Å; H139-R143 VanDerWaalsContact O-N 3.07Å |
| 140 | K | 98.2 | Very high | 98.1 | Very high | 144 Ų | 144 | 58 Ų | 58 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.8 | -42 | -177.7 | -66.2 | -179.3 | -177.2 | 175.6 | 0 | 112.5 | M138 I142 R143 R144 | M138-K140 PolarHBondContact O-N 3.31Å; K140-I142 PolarHBondContact O-N 2.53Å; K140-I142 VanDerWaalsContact O-N 3.15Å; K140-R143 PolarHBondContact O-N 2.84Å; K140-R144 WeakPolarHBondContact O-CB 3.48Å; K140-R144 WeakPolarHBondContact O-CG 3.18Å; K140-R144 PolarHBondContact O-N 2.93Å |
| 141 | A | 97.9 | Very high | 98 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -15.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | K56 H139 | K56-A141 PolarHBondContact NZ-O 2.87Å; H139-A141 VanDerWaalsContact C-N 3.31Å; H139-A141 WeakPolarHBondContact ND1-CB 3.39Å; H139-A141 PolarHBondContact ND1-N 3.21Å; H139-A141 PolarHBondContact O-N 2.73Å |
| 142 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -95.1 | -46.1 | 173.6 | -59.3 | -57.3 | 0 | 0 | 0 | 110.2 | F59 I135 D136 H139 K140 R144 D145 I148 I151 | F59-I142 HydrophobicContact CD2-CD1 3.64Å; F59-I142 HydrophobicContact CE2-CD1 3.52Å; I135-I142 HydrophobicContact CG2-CB 4.36Å; I135-I142 HydrophobicContact CG2-CD1 4.05Å; I135-I142 HydrophobicContact CG2-CG1 3.96Å; I135-I142 HydrophobicContact CG2-CG2 3.53Å; D136-I142 WeakPolarHBondContact O-CB 3.36Å; D136-I142 WeakPolarHBondContact O-CG1 3.37Å; H139-I142 HydrophobicContact CB-CG1 4.14Å; H139-I142 WeakPolarHBondContact O-CB 3.31Å; H139-I142 PolarHBondContact O-N 3.07Å; K140-I142 PolarHBondContact O-N 2.53Å; K140-I142 VanDerWaalsContact O-N 3.15Å; I142-R144 PolarHBondContact O-N 3.17Å; I142-D145 PolarHBondContact O-N 3.26Å; I142-I148 HydrophobicContact CD1-CG2 4.34Å; I142-I148 HydrophobicContact CG2-CG2 4.01Å; I142-I151 HydrophobicContact CG2-CG2 4.4Å |
| 143 | R | 97.9 | Very high | 98 | Very high | 132 Ų | 132 | 64.7 Ų | 64.7 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | -177.5 | -65.7 | -179.4 | 64.5 | 82.3 | -1.7 | 112.9 | P137 M138 H139 K140 N149 | P137-R143 WeakPolarHBondContact O-CD 3.33Å; P137-R143 WeakPolarHBondContact O-CG 3.33Å; M138-R143 WeakPolarHBondContact O-CD 3.31Å; H139-R143 PolarHBondContact O-N 3.16Å; H139-R143 VanDerWaalsContact O-N 3.07Å; K140-R143 PolarHBondContact O-N 2.84Å; R143-N149 WeakPolarHBondContact O-CB 3.45Å |
| 144 | R | 97.6 | Very high | 97.9 | Very high | 194 Ų | 194 | 69.1 Ų | 69.1 | 73% | 0.732 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15 | -179.7 | -65.1 | 179 | 179 | 175.5 | -4.3 | 113.7 | K140 I142 P146 | K140-R144 WeakPolarHBondContact O-CB 3.48Å; K140-R144 WeakPolarHBondContact O-CG 3.18Å; K140-R144 PolarHBondContact O-N 2.93Å; I142-R144 PolarHBondContact O-N 3.17Å; R144-P146 WeakPolarHBondContact O-CD 3.35Å |
| 145 | D | 97.6 | Very high | 97.9 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 21% | 0.209 | 36% | 0.357 | C | S | . | . | trans | -87.5 | 112.1 | -179.5 | 175.5 | 6.5 | 0 | 0 | 0 | 111.4 | K56 I142 K147 I148 N149 | K56-D145 VanDerWaalsContact NZ-CB 3.3Å; K56-D145 VanDerWaalsContact NZ-CG 3.35Å; K56-D145 IonicContact NZ-OD2 2.56Å; K56-D145 PolarHBondContact NZ-OD2 2.82Å; I142-D145 PolarHBondContact O-N 3.26Å; D145-K147 PolarHBondContact O-N 3.27Å; D145-K147 VanDerWaalsContact O-N 3.14Å; D145-K147 VanDerWaalsContact OD1-CB 3.3Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.04Å; D145-I148 HydrophobicContact CB-CG2 3.95Å; D145-I148 PolarHBondContact O-N 3.01Å; D145-N149 VanDerWaalsContact O-CB 3.24Å; D145-N149 WeakPolarHBondContact O-CB 3.37Å; D145-N149 PolarHBondContact O-N 3.24Å | ||
| 146 | P | 97.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 75.9 Ų | 75.9 | 65% | 0.649 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.6 | -178.8 | 26.9 | -35.3 | 0 | 0 | 0 | 113.5 | R144 I148 N149 | R144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-I148 VanDerWaalsContact C-N 3.31Å; P146-I148 PolarHBondContact O-N 2.64Å; P146-N149 PolarHBondContact O-OD1 3.47Å |
| 147 | K | 97.2 | Very high | 97.9 | Very high | 178 Ų | 178 | 79.5 Ų | 79.5 | 77% | 0.774 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.7 | -179.7 | -60.8 | 177.8 | -179 | 174 | 0 | 112.8 | D145 W150 | D145-K147 PolarHBondContact O-N 3.27Å; D145-K147 VanDerWaalsContact O-N 3.14Å; D145-K147 VanDerWaalsContact OD1-CB 3.3Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.04Å; K147-W150 PolarHBondContact O-NE1 3.38Å |
| 148 | I | 97.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 82.6 Ų | 82.6 | 7% | 0.067 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -19.5 | -173.1 | -160 | 60.8 | 0 | 0 | 0 | 114.5 | F59 L116 I135 I142 D145 P146 W150 I151 | F59-I148 HydrophobicContact CE2-CG1 4.42Å; F59-I148 HydrophobicContact CZ-CD1 4.28Å; F59-I148 HydrophobicContact CZ-CG1 3.98Å; L116-I148 HydrophobicContact CD1-CD1 4.32Å; I135-I148 HydrophobicContact CD1-CD1 3.7Å; I135-I148 HydrophobicContact CD1-CG1 3.69Å; I142-I148 HydrophobicContact CD1-CG2 4.34Å; I142-I148 HydrophobicContact CG2-CG2 4.01Å; D145-I148 HydrophobicContact CB-CG2 3.95Å; D145-I148 PolarHBondContact O-N 3.01Å; P146-I148 VanDerWaalsContact C-N 3.31Å; P146-I148 PolarHBondContact O-N 2.64Å; I148-W150 HydrophobicContact CD1-CZ2 4.27Å; I148-W150 PolarHBondContact O-N 2.67Å; I148-I151 HydrophobicContact CG1-CG2 4.37Å; I148-I151 VanDerWaalsContact O-CG2 3.3Å; I148-I151 WeakPolarHBondContact O-CG2 3.43Å; I148-I151 PolarHBondContact O-N 2.9Å |
| 149 | N | 97.1 | Very high | 97.9 | Very high | 64 Ų | 64 | 78.2 Ų | 78.2 | 34% | 0.342 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -58.3 | -17.9 | -174.4 | 68.4 | 2.3 | 0 | 0 | 0 | 114.2 | R143 D145 P146 I151 C152 | R143-N149 WeakPolarHBondContact O-CB 3.45Å; D145-N149 VanDerWaalsContact O-CB 3.24Å; D145-N149 WeakPolarHBondContact O-CB 3.37Å; D145-N149 PolarHBondContact O-N 3.24Å; P146-N149 PolarHBondContact O-OD1 3.47Å; N149-I151 PolarHBondContact O-N 3.33Å; N149-C152 VanDerWaalsContact O-CB 3.24Å; N149-C152 WeakPolarHBondContact O-CB 3.45Å; N149-C152 PolarHBondContact O-N 3.36Å |
| 150 | W | 98.2 | Very high | 97.9 | Very high | 83 Ų | 83 | 75.7 Ų | 75.7 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -50.6 | -31.7 | 169.9 | 66 | -97.3 | 0 | 0 | 0 | 112.6 | L116 K147 I148 C152 K153 M156 | L116-W150 HydrophobicContact CD1-CH2 4.06Å; L116-W150 HydrophobicContact CD1-CZ2 3.93Å; K147-W150 PolarHBondContact O-NE1 3.38Å; I148-W150 HydrophobicContact CD1-CZ2 4.27Å; I148-W150 PolarHBondContact O-N 2.67Å; W150-C152 PolarHBondContact O-N 3.46Å; W150-K153 PolarHBondContact O-N 2.76Å; W150-M156 HydrophobicContact CE3-CE 3.91Å; W150-M156 HydrophobicContact CE3-CG 4.22Å; W150-M156 HydrophobicContact CE3-SD 4.05Å; W150-M156 HydrophobicContact CZ3-CE 4.31Å; W150-M156 HydrophobicContact CZ3-CG 4.43Å; W150-M156 HydrophobicContact CZ3-SD 3.96Å; W150-M156 WeakPolarHBondContact O-CG 3.06Å |
| 151 | I | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -70.8 | -17.4 | 179.3 | -153.8 | 172 | 0 | 0 | 0 | 113 | R114 L116 I135 I142 I148 N149 K153 M156 | R114-I151 HydrophobicContact CB-CD1 3.67Å; R114-I151 HydrophobicContact CB-CG1 3.81Å; R114-I151 HydrophobicContact CG-CG1 4.26Å; R114-I151 PolarHBondContact NH1-O 2.88Å; L116-I151 HydrophobicContact CB-CD1 4.47Å; L116-I151 HydrophobicContact CD1-CD1 4.1Å; I135-I151 HydrophobicContact CB-CD1 4.29Å; I135-I151 HydrophobicContact CB-CG2 4.45Å; I135-I151 HydrophobicContact CD1-CD1 3.7Å; I135-I151 HydrophobicContact CD1-CG2 4.25Å; I135-I151 HydrophobicContact CG1-CD1 4.46Å; I135-I151 HydrophobicContact CG2-CG2 3.91Å; I142-I151 HydrophobicContact CG2-CG2 4.4Å; I148-I151 HydrophobicContact CG1-CG2 4.37Å; I148-I151 VanDerWaalsContact O-CG2 3.3Å; I148-I151 WeakPolarHBondContact O-CG2 3.43Å; I148-I151 PolarHBondContact O-N 2.9Å; N149-I151 PolarHBondContact O-N 3.33Å; I151-K153 VanDerWaalsContact C-N 3.35Å; I151-M156 WeakPolarHBondContact O-CB 3.3Å |
| 152 | C | 98 | Very high | 97.8 | Very high | 19 Ų | 19 | 75.5 Ų | 75.5 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -75.5 | -24.8 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | R114 P137 N149 W150 | R114-C152 PolarHBondContact NH2-O 3.49Å; P137-C152 HydrophobicContact CB-CB 4.33Å; P137-C152 PolarHBondContact O-SG 2.85Å; N149-C152 VanDerWaalsContact O-CB 3.24Å; N149-C152 WeakPolarHBondContact O-CB 3.45Å; N149-C152 PolarHBondContact O-N 3.36Å; W150-C152 PolarHBondContact O-N 3.46Å |
| 153 | K | 98.1 | Very high | 97.7 | Very high | 128 Ų | 128 | 75.8 Ų | 75.8 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -52.1 | 145.1 | -179.5 | -66.5 | -176.2 | 177.5 | -175.8 | 0 | 111.5 | R114 W150 I151 V155 M156 | R114-K153 PolarHBondContact NH1-O 3.07Å; W150-K153 PolarHBondContact O-N 2.76Å; I151-K153 VanDerWaalsContact C-N 3.35Å; K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 HydrophobicContact CB-CG2 4.08Å; K153-V155 PolarHBondContact O-N 3.07Å; K153-M156 HydrophobicContact CB-CG 4.31Å; K153-M156 WeakPolarHBondContact O-CB 3.41Å; K153-M156 PolarHBondContact O-N 3.29Å |
| 154 | P | 97.9 | Very high | 97.7 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 61% | 0.61 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -62 | -33.2 | -177.4 | 22.8 | -33 | 0 | 0 | 0 | 112.8 | M156 K157 | P154-M156 PolarHBondContact O-N 2.77Å; P154-K157 WeakPolarHBondContact O-CB 3.49Å; P154-K157 VanDerWaalsContact O-CG 3.25Å; P154-K157 WeakPolarHBondContact O-CG 3.31Å; P154-K157 PolarHBondContact O-N 3.43Å |
| 155 | V | 98.2 | Very high | 97.7 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -63.3 | -13.5 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 114 | K153 R162 | K153-V155 VanDerWaalsContact C-N 3.26Å; K153-V155 HydrophobicContact CB-CG2 4.08Å; K153-V155 PolarHBondContact O-N 3.07Å; V155-R162 PolarHBondContact O-NH1 2.99Å; V155-R162 PolarHBondContact O-NH2 3Å |
| 156 | M | 98.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 63.1 Ų | 63.1 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -93.6 | 3.9 | 177.5 | -58.9 | -60.5 | 174.5 | 0 | 0 | 113.2 | W150 I151 K153 P154 R159 | W150-M156 HydrophobicContact CE3-CE 3.91Å; W150-M156 HydrophobicContact CE3-CG 4.22Å; W150-M156 HydrophobicContact CE3-SD 4.05Å; W150-M156 HydrophobicContact CZ3-CE 4.31Å; W150-M156 HydrophobicContact CZ3-CG 4.43Å; W150-M156 HydrophobicContact CZ3-SD 3.96Å; W150-M156 WeakPolarHBondContact O-CG 3.06Å; I151-M156 WeakPolarHBondContact O-CB 3.3Å; K153-M156 HydrophobicContact CB-CG 4.31Å; K153-M156 WeakPolarHBondContact O-CB 3.41Å; K153-M156 PolarHBondContact O-N 3.29Å; P154-M156 PolarHBondContact O-N 2.77Å; M156-R159 WeakPolarHBondContact O-CG 3.31Å |
| 157 | K | 98.2 | Very high | 97.7 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 135.8 | 171.5 | -71.2 | 177.2 | 179.7 | -174.3 | 0 | 111 | P154 R159 R162 | P154-K157 WeakPolarHBondContact O-CB 3.49Å; P154-K157 VanDerWaalsContact O-CG 3.25Å; P154-K157 WeakPolarHBondContact O-CG 3.31Å; P154-K157 PolarHBondContact O-N 3.43Å; K157-R159 PolarHBondContact O-N 3.29Å; K157-R162 PolarHBondContact O-NE 3.37Å; K157-R162 PolarHBondContact O-NH2 3.2Å |
| 158 | H | 98.1 | Very high | 97.6 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 32% | 0.319 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 52.2 | 175.6 | -61.9 | -56.6 | 0 | 0 | 0 | 115.9 | E160 M161 R162 | H158-E160 VanDerWaalsContact C-N 3.25Å; H158-E160 VanDerWaalsContact C-OE2 3.29Å; H158-E160 WeakPolarHBondContact CA-OE1 3.43Å; H158-E160 WeakPolarHBondContact CA-OE2 3.46Å; H158-E160 IonicContact CG-OE1 3.68Å; H158-E160 IonicContact ND1-OE1 3Å; H158-E160 PolarHBondContact ND1-OE1 3.17Å; H158-E160 PolarHBondContact O-N 3.38Å; H158-M161 HydrophobicContact CB-CB 4.14Å; H158-M161 HydrophobicContact CB-CG 4Å; H158-M161 HydrophobicContact CB-SD 4.27Å; H158-M161 PolarHBondContact O-N 2.72Å; H158-R162 PolarHBondContact O-N 3.18Å; H158-R162 PolarHBondContact O-NE 3.1Å |
| 159 | R | 98.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.4 | 176.8 | -74.3 | 169 | 71 | -127.8 | 2.8 | 111.9 | V115 L116 M156 K157 M161 R162 G163 L164 T165 | V115-R159 PolarHBondContact O-NH1 2.86Å; L116-R159 PolarHBondContact O-NH1 3.5Å; M156-R159 WeakPolarHBondContact O-CG 3.31Å; K157-R159 PolarHBondContact O-N 3.29Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 2.87Å; R159-R162 PolarHBondContact O-N 2.94Å; R159-G163 PolarHBondContact O-N 3.33Å; R159-G163 VanDerWaalsContact O-N 3.07Å; R159-L164 HydrophobicContact CB-CB 4.01Å; R159-L164 HydrophobicContact CG-CB 4.26Å; R159-L164 HydrophobicContact CG-CD1 4.47Å; R159-L164 PolarHBondContact O-N 2.93Å; R159-T165 HydrophobicContact CB-CG2 4.29Å |
| 160 | E | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -35.6 | 177.7 | 72 | -65.7 | 158.4 | 0 | 0 | 112.5 | E103 Q104 V115 H158 T165 | E103-E160 HydrophobicContact CB-CB 3.89Å; Q104-E160 HydrophobicContact CG-CB 4.37Å; Q104-E160 HydrophobicContact CG-CG 4.29Å; Q104-E160 WeakPolarHBondContact CG-O 3.44Å; Q104-E160 PolarHBondContact NE2-O 3.31Å; V115-E160 HydrophobicContact CB-CB 4.18Å; V115-E160 HydrophobicContact CB-CG 4.43Å; V115-E160 HydrophobicContact CG1-CB 4.31Å; V115-E160 HydrophobicContact CG2-CB 4.16Å; V115-E160 HydrophobicContact CG2-CG 3.93Å; H158-E160 VanDerWaalsContact C-N 3.25Å; H158-E160 VanDerWaalsContact C-OE2 3.29Å; H158-E160 WeakPolarHBondContact CA-OE1 3.43Å; H158-E160 WeakPolarHBondContact CA-OE2 3.46Å; H158-E160 IonicContact CG-OE1 3.68Å; H158-E160 IonicContact ND1-OE1 3Å; H158-E160 PolarHBondContact ND1-OE1 3.17Å; H158-E160 PolarHBondContact O-N 3.38Å; E160-T165 HydrophobicContact CB-CG2 4.13Å |
| 161 | M | 97.4 | Very high | 97.4 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -31 | 178.9 | -58.1 | -161.1 | -165.8 | 0 | 0 | 112.3 | R96 R108 H158 R159 | R96-M161 PolarHBondContact NH2-O 3.3Å; R108-M161 HydrophobicContact CB-CE 4.48Å; R108-M161 HydrophobicContact CG-CE 3.49Å; R108-M161 VanDerWaalsContact CG-CE 3.49Å; H158-M161 HydrophobicContact CB-CB 4.14Å; H158-M161 HydrophobicContact CB-CG 4Å; H158-M161 HydrophobicContact CB-SD 4.27Å; H158-M161 PolarHBondContact O-N 2.72Å; R159-M161 VanDerWaalsContact C-N 3.33Å; R159-M161 PolarHBondContact O-N 2.87Å |
| 162 | R | 97.1 | Very high | 97.3 | Very high | 116 Ų | 116 | 61.9 Ų | 61.9 | 44% | 0.438 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.7 | 178.5 | -63.4 | 178.6 | -66.6 | 139.4 | 1.1 | 114 | V155 K157 H158 R159 L164 | V155-R162 PolarHBondContact O-NH1 2.99Å; V155-R162 PolarHBondContact O-NH2 3Å; K157-R162 PolarHBondContact O-NE 3.37Å; K157-R162 PolarHBondContact O-NH2 3.2Å; H158-R162 PolarHBondContact O-N 3.18Å; H158-R162 PolarHBondContact O-NE 3.1Å; R159-R162 PolarHBondContact O-N 2.94Å; R162-L164 HydrophobicContact CB-CD1 4.24Å; R162-L164 HydrophobicContact CB-CG 4.08Å; R162-L164 VanDerWaalsContact CZ-CD1 3.47Å; R162-L164 VanDerWaalsContact NH1-CD1 3.35Å |
| 163 | G | 96.2 | Very high | 97.1 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 39.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R159 R169 R172 | R159-G163 PolarHBondContact O-N 3.33Å; R159-G163 VanDerWaalsContact O-N 3.07Å; G163-R169 WeakPolarHBondContact O-CG 3.43Å; G163-R169 PolarHBondContact O-N 3.11Å; G163-R172 VanDerWaalsContact O-CD 3.31Å; G163-R172 WeakPolarHBondContact O-CD 3.36Å |
| 164 | L | 97.7 | Very high | 97 | Very high | 50 Ų | 50 | 59 Ų | 59 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | trans | -100.2 | -9.7 | 178.7 | -60.8 | -179.9 | 0 | 0 | 0 | 113.8 | R159 R162 | R159-L164 HydrophobicContact CB-CB 4.01Å; R159-L164 HydrophobicContact CG-CB 4.26Å; R159-L164 HydrophobicContact CG-CD1 4.47Å; R159-L164 PolarHBondContact O-N 2.93Å; R162-L164 HydrophobicContact CB-CD1 4.24Å; R162-L164 HydrophobicContact CB-CG 4.08Å; R162-L164 VanDerWaalsContact CZ-CD1 3.47Å; R162-L164 VanDerWaalsContact NH1-CD1 3.35Å | ||
| 165 | T | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -70.4 | 163.1 | 168.9 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | E103 V115 R159 E160 A167 G168 R169 | E103-T165 WeakPolarHBondContact OE2-CB 3.13Å; E103-T165 PolarHBondContact OE2-OG1 3.11Å; V115-T165 HydrophobicContact CG1-CG2 3.93Å; R159-T165 HydrophobicContact CB-CG2 4.29Å; E160-T165 HydrophobicContact CB-CG2 4.13Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.3Å; T165-G168 PolarHBondContact O-N 3.06Å; T165-G168 PolarHBondContact OG1-N 3.03Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; T165-R169 WeakPolarHBondContact O-CB 3.35Å; T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.26Å; T165-R169 PolarHBondContact O-N 2.89Å |
| 166 | A | 96.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 61.8 Ų | 61.8 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N117 | N117-A166 VanDerWaalsContact OD1-CB 3.31Å; N117-A166 WeakPolarHBondContact OD1-CB 3.1Å; N117-A166 PolarHBondContact OD1-N 3.21Å |
| 167 | A | 97.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q99 A100 T165 K170 | Q99-A167 HydrophobicContact CB-CB 4.09Å; Q99-A167 HydrophobicContact CG-CB 3.7Å; A100-A167 HydrophobicContact CB-CB 4.31Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.3Å; A167-K170 PolarHBondContact O-N 3.46Å |
| 168 | G | 96.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T165 K170 S171 | T165-G168 PolarHBondContact O-N 3.06Å; T165-G168 PolarHBondContact OG1-N 3.03Å; T165-G168 VanDerWaalsContact OG1-N 3.16Å; G168-K170 VanDerWaalsContact C-N 3.3Å; G168-K170 PolarHBondContact O-N 3.13Å; G168-S171 PolarHBondContact O-N 3.29Å; G168-S171 PolarHBondContact O-OG 3.19Å |
| 169 | R | 96.5 | Very high | 96.6 | Very high | 131 Ų | 131 | 63.1 Ų | 63.1 | 49% | 0.494 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 179.9 | -75.2 | 177.6 | 67.4 | 117.3 | 1.3 | 113.2 | G163 T165 S171 R172 | G163-R169 WeakPolarHBondContact O-CG 3.43Å; G163-R169 PolarHBondContact O-N 3.11Å; T165-R169 WeakPolarHBondContact O-CB 3.35Å; T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.26Å; T165-R169 PolarHBondContact O-N 2.89Å; R169-S171 VanDerWaalsContact C-N 3.25Å; R169-S171 PolarHBondContact O-N 3.45Å; R169-R172 WeakPolarHBondContact O-CB 3.22Å; R169-R172 PolarHBondContact O-N 3.39Å |
| 170 | K | 95.7 | Very high | 96.5 | Very high | 160 Ų | 160 | 66.7 Ų | 66.7 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.6 | -37.9 | 177 | -70.8 | -178.9 | 178 | -170.1 | 0 | 112.5 | A167 G168 R172 | A167-K170 PolarHBondContact O-N 3.46Å; G168-K170 VanDerWaalsContact C-N 3.3Å; G168-K170 PolarHBondContact O-N 3.13Å; K170-R172 PolarHBondContact O-N 2.97Å |
| 171 | S | 94.7 | Very high | 96.5 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 22% | 0.224 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.7 | 178 | 70.8 | 0 | 0 | 0 | 0 | 114.5 | G168 R169 | G168-S171 PolarHBondContact O-N 3.29Å; G168-S171 PolarHBondContact O-OG 3.19Å; R169-S171 VanDerWaalsContact C-N 3.25Å; R169-S171 PolarHBondContact O-N 3.45Å |
| 172 | R | 96.5 | Very high | 96.4 | Very high | 84 Ų | 84 | 70.6 Ų | 70.6 | 32% | 0.317 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -11.9 | -178.1 | -67 | 177.9 | 55.9 | 175.2 | -4.2 | 113.3 | G163 R169 K170 L174 G186 | G163-R172 VanDerWaalsContact O-CD 3.31Å; G163-R172 WeakPolarHBondContact O-CD 3.36Å; R169-R172 WeakPolarHBondContact O-CB 3.22Å; R169-R172 PolarHBondContact O-N 3.39Å; K170-R172 PolarHBondContact O-N 2.97Å; R172-L174 VanDerWaalsContact C-N 3.32Å; R172-L174 HydrophobicContact CB-CD1 4.2Å; R172-L174 HydrophobicContact CB-CD2 4.43Å; R172-L174 HydrophobicContact CB-CG 3.84Å; R172-L174 PolarHBondContact O-N 3.45Å; R172-G186 PolarHBondContact NH2-O 3.49Å |
| 173 | G | 94.7 | Very high | 96.4 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 35.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y180 T183 | G173-Y180 WeakPolarHBondContact O-CD1 3.43Å; G173-T183 VanDerWaalsContact O-CG2 3.22Å; G173-T183 WeakPolarHBondContact O-CG2 3.22Å; G173-T183 PolarHBondContact O-OG1 3.08Å |
| 174 | L | 96.2 | Very high | 96.5 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 26% | 0.262 | 40% | 0.395 | S | S | . | . | trans | -82.5 | 141.1 | 176.9 | -57.7 | 174.7 | 0 | 0 | 0 | 109.9 | R172 T183 G186 | R172-L174 VanDerWaalsContact C-N 3.32Å; R172-L174 HydrophobicContact CB-CD1 4.2Å; R172-L174 HydrophobicContact CB-CD2 4.43Å; R172-L174 HydrophobicContact CB-CG 3.84Å; R172-L174 PolarHBondContact O-N 3.45Å; L174-T183 HydrophobicContact CD2-CG2 4.41Å; L174-G186 WeakPolarHBondContact CD2-O 3.47Å | ||
| 175 | G | 96.2 | Very high | 96.4 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | trans | -179.4 | -169.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y180 | G175-Y180 VanDerWaalsContact CA-CD1 3.46Å; G175-Y180 VanDerWaalsContact CA-CG 3.42Å | ||
| 176 | K | 96.5 | Very high | 96.3 | Very high | 203 Ų | 203 | 71 Ų | 71 | 88% | 0.883 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -121.1 | 147.2 | 177.5 | -65 | -174.2 | 176.9 | -173.7 | 0 | 109.5 | Y180 | K176-Y180 WeakPolarHBondContact O-CD2 3.45Š|
| 177 | G | 95.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 70.6 Ų | 70.6 | 61% | 0.608 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 97.3 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G179 Y180 | G177-G179 VanDerWaalsContact C-N 3.28Å; G177-G179 PolarHBondContact O-N 3.42Å; G177-Y180 PolarHBondContact O-N 3.11Å |
| 178 | V | 96.3 | Very high | 96.3 | Very high | 138 Ų | 138 | 77.8 Ų | 77.8 | 84% | 0.836 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -55.9 | -37.4 | -170.4 | -64.3 | 0 | 0 | 0 | 0 | 113.6 | Y180 S181 | V178-Y180 PolarHBondContact O-N 3.35Å; V178-Y180 VanDerWaalsContact O-N 3.11Å; V178-S181 WeakPolarHBondContact O-CB 3.4Å; V178-S181 PolarHBondContact O-N 3.17Å |
| 179 | G | 95.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 85.7 Ų | 85.7 | 71% | 0.711 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -66.2 | -11 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G177 | G177-G179 VanDerWaalsContact C-N 3.28Å; G177-G179 PolarHBondContact O-N 3.42Å |
| 180 | Y | 97.2 | Very high | 96.4 | Very high | 106 Ų | 106 | 87.7 Ų | 87.7 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -113.1 | 14.6 | -178.3 | -59.4 | -83.7 | 0 | 0 | 0 | 113.5 | G173 G175 K176 G177 V178 Q182 T183 | G173-Y180 WeakPolarHBondContact O-CD1 3.43Å; G175-Y180 VanDerWaalsContact CA-CD1 3.46Å; G175-Y180 VanDerWaalsContact CA-CG 3.42Å; K176-Y180 WeakPolarHBondContact O-CD2 3.45Å; G177-Y180 PolarHBondContact O-N 3.11Å; V178-Y180 PolarHBondContact O-N 3.35Å; V178-Y180 VanDerWaalsContact O-N 3.11Å; Y180-Q182 PolarHBondContact O-N 3.07Å; Y180-T183 PolarHBondContact O-N 3.02Å; Y180-T183 PolarHBondContact O-OG1 3.21Å; Y180-T183 VanDerWaalsContact O-OG1 3.1Å |
| 181 | S | 96.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 80.3 Ų | 80.3 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -53.3 | -31.7 | -178.2 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | V178 T183 I184 C191 | V178-S181 WeakPolarHBondContact O-CB 3.4Å; V178-S181 PolarHBondContact O-N 3.17Å; S181-T183 PolarHBondContact O-N 2.65Å; S181-T183 VanDerWaalsContact O-N 3.11Å; S181-I184 WeakPolarHBondContact O-CG1 3.43Å; S181-I184 PolarHBondContact O-N 3.33Å; S181-C191 PolarHBondContact O-SG 3.49Å; S181-C191 VanDerWaalsContact O-SG 3.42Å |
| 182 | Q | 96.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 86.5 Ų | 86.5 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -64.2 | -13.7 | 177.7 | -63.6 | -178.4 | 0.3 | 0 | 0 | 113.8 | Y180 R188 C191 | Y180-Q182 PolarHBondContact O-N 3.07Å; Q182-R188 VanDerWaalsContact O-CA 3.3Å; Q182-R188 WeakPolarHBondContact O-CA 3.3Å; Q182-C191 VanDerWaalsContact O-CB 3.3Å; Q182-C191 WeakPolarHBondContact O-CB 3.48Å |
| 183 | T | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 89.2 Ų | 89.2 | 9% | 0.086 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -119.8 | 10.2 | -178 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | G173 L174 Y180 S181 G185 G186 R188 | G173-T183 VanDerWaalsContact O-CG2 3.22Å; G173-T183 WeakPolarHBondContact O-CG2 3.22Å; G173-T183 PolarHBondContact O-OG1 3.08Å; L174-T183 HydrophobicContact CD2-CG2 4.41Å; Y180-T183 PolarHBondContact O-N 3.02Å; Y180-T183 PolarHBondContact O-OG1 3.21Å; Y180-T183 VanDerWaalsContact O-OG1 3.1Å; S181-T183 PolarHBondContact O-N 2.65Å; S181-T183 VanDerWaalsContact O-N 3.11Å; T183-G185 PolarHBondContact O-N 3.48Å; T183-G186 PolarHBondContact O-N 3.21Å; T183-R188 HydrophobicContact CG2-CB 4.46Å |
| 184 | I | 96.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 94.5 Ų | 94.5 | 46% | 0.456 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.7 | 173.8 | -64.7 | 170.6 | 0 | 0 | 0 | 109.6 | S181 C191 | S181-I184 WeakPolarHBondContact O-CG1 3.43Å; S181-I184 PolarHBondContact O-N 3.33Å; I184-C191 VanDerWaalsContact O-CB 3.26Å; I184-C191 WeakPolarHBondContact O-CB 3.47Å |
| 185 | G | 95.7 | Very high | 96.8 | Very high | 41 Ų | 41 | 99.1 Ų | 99.1 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 0.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T183 R190 | T183-G185 PolarHBondContact O-N 3.48Å; G185-R190 WeakPolarHBondContact O-CD 3.36Å; G185-R190 PolarHBondContact O-NE 3.18Å |
| 186 | G | 95.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 101.9 Ų | 101.9 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 109.8 | -14.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R172 L174 T183 | R172-G186 PolarHBondContact NH2-O 3.49Å; L174-G186 WeakPolarHBondContact CD2-O 3.47Å; T183-G186 PolarHBondContact O-N 3.21Å |
| 187 | S | 97.4 | Very high | 97 | Very high | 40 Ų | 40 | 96.1 Ų | 96.1 | 28% | 0.28 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -157.3 | 159.1 | 170.7 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | K189 R190 C191 | S187-K189 VanDerWaalsContact C-N 3.33Å; S187-K189 PolarHBondContact O-N 3.46Å; S187-R190 PolarHBondContact O-N 2.87Å; S187-R190 WeakPolarHBondContact OG-CB 3.49Å; S187-R190 PolarHBondContact OG-N 3.02Å; S187-R190 VanDerWaalsContact OG-N 3.17Å; S187-C191 PolarHBondContact O-N 2.79Å |
| 188 | R | 96.8 | Very high | 97 | Very high | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.6 | -43.4 | 177.3 | -167.6 | 176.9 | -177.9 | 132.2 | -0.7 | 113.2 | Q182 T183 C191 W192 | Q182-R188 VanDerWaalsContact O-CA 3.3Å; Q182-R188 WeakPolarHBondContact O-CA 3.3Å; T183-R188 HydrophobicContact CG2-CB 4.46Å; R188-C191 PolarHBondContact O-N 3.14Å; R188-W192 WeakPolarHBondContact O-CB 3.3Å; R188-W192 PolarHBondContact O-N 3.35Å |
| 189 | K | 97.3 | Very high | 97 | Very high | 170 Ų | 170 | 97.9 Ų | 97.9 | 74% | 0.739 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 177.7 | -173.1 | 174.3 | -179.3 | 177.8 | 0 | 111.7 | S187 W192 K193 | S187-K189 VanDerWaalsContact C-N 3.33Å; S187-K189 PolarHBondContact O-N 3.46Å; K189-W192 PolarHBondContact O-N 3.46Å; K189-K193 WeakPolarHBondContact O-CB 3.47Å; K189-K193 PolarHBondContact O-N 3.37Å |
| 190 | R | 97.3 | Very high | 96.9 | Very high | 173 Ų | 173 | 99.2 Ų | 99.2 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 177.3 | -178.1 | 158.1 | 174.5 | -175.1 | 9.9 | 112.1 | G185 S187 K193 R194 | G185-R190 WeakPolarHBondContact O-CD 3.36Å; G185-R190 PolarHBondContact O-NE 3.18Å; S187-R190 PolarHBondContact O-N 2.87Å; S187-R190 WeakPolarHBondContact OG-CB 3.49Å; S187-R190 PolarHBondContact OG-N 3.02Å; S187-R190 VanDerWaalsContact OG-N 3.17Å; R190-K193 PolarHBondContact O-N 3.13Å; R190-R194 PolarHBondContact O-N 2.86Å; R190-R194 VanDerWaalsContact O-N 3.07Å |
| 191 | C | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 103.2 Ų | 103.2 | 3% | 0.027 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.2 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | S181 Q182 I184 S187 R188 R194 R195 | S181-C191 PolarHBondContact O-SG 3.49Å; S181-C191 VanDerWaalsContact O-SG 3.42Å; Q182-C191 VanDerWaalsContact O-CB 3.3Å; Q182-C191 WeakPolarHBondContact O-CB 3.48Å; I184-C191 VanDerWaalsContact O-CB 3.26Å; I184-C191 WeakPolarHBondContact O-CB 3.47Å; S187-C191 PolarHBondContact O-N 2.79Å; R188-C191 PolarHBondContact O-N 3.14Å; C191-R194 PolarHBondContact O-N 3.08Å; C191-R195 WeakPolarHBondContact O-CG 3.35Å; C191-R195 PolarHBondContact O-N 3.23Å; C191-R195 VanDerWaalsContact O-N 3.11Å |
| 192 | W | 97.9 | Very high | 96.7 | Very high | 163 Ų | 163 | 113.2 Ų | 113.2 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.7 | -48.6 | 177.4 | -179.4 | 84.4 | 0 | 0 | 0 | 112 | R188 K189 R194 R195 N196 | R188-W192 WeakPolarHBondContact O-CB 3.3Å; R188-W192 PolarHBondContact O-N 3.35Å; K189-W192 PolarHBondContact O-N 3.46Å; W192-R194 VanDerWaalsContact C-N 3.34Å; W192-R194 PolarHBondContact O-N 3Å; W192-R195 PolarHBondContact O-N 3.05Å; W192-R195 VanDerWaalsContact O-N 3.14Å; W192-N196 VanDerWaalsContact CD1-ND2 3.28Å; W192-N196 HydrophobicContact CZ2-CB 4.43Å; W192-N196 PolarHBondContact NE1-ND2 3.37Å; W192-N196 PolarHBondContact O-N 3.47Å; W192-N196 PolarHBondContact O-ND2 3.21Å |
| 193 | K | 98.1 | Very high | 96.4 | Very high | 141 Ų | 141 | 117.5 Ų | 117.5 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -56.3 | -47.8 | 177.9 | -174.9 | 175.7 | 180 | 179.1 | 0 | 111.3 | K189 R190 R195 N196 T197 | K189-K193 WeakPolarHBondContact O-CB 3.47Å; K189-K193 PolarHBondContact O-N 3.37Å; R190-K193 PolarHBondContact O-N 3.13Å; K193-R195 VanDerWaalsContact C-N 3.3Å; K193-R195 PolarHBondContact O-N 3.47Å; K193-N196 CarbonylContact O-C 3.58Å; K193-N196 PolarHBondContact O-N 3.13Å; K193-T197 WeakPolarHBondContact O-CB 3.4Å; K193-T197 PolarHBondContact O-N 3Å; K193-T197 VanDerWaalsContact O-N 3.08Å; K193-T197 PolarHBondContact O-OG1 3.08Å |
| 194 | R | 97.3 | Very high | 95.5 | Very high | 147 Ų | 147 | 128.9 Ų | 128.9 | 56% | 0.555 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.7 | -41.1 | 178.5 | -175.8 | -178.5 | 67.2 | 101.3 | -2.5 | 112.6 | R190 C191 W192 | R190-R194 PolarHBondContact O-N 2.86Å; R190-R194 VanDerWaalsContact O-N 3.07Å; C191-R194 PolarHBondContact O-N 3.08Å; W192-R194 VanDerWaalsContact C-N 3.34Å; W192-R194 PolarHBondContact O-N 3Å |
| 195 | R | 96.9 | Very high | 95.4 | Very high | 148 Ų | 148 | 130.9 Ų | 130.9 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.4 | -23.9 | -179.2 | -69.7 | -177.4 | -177.9 | -171.4 | -0.5 | 114 | C191 W192 K193 | C191-R195 WeakPolarHBondContact O-CG 3.35Å; C191-R195 PolarHBondContact O-N 3.23Å; C191-R195 VanDerWaalsContact O-N 3.11Å; W192-R195 PolarHBondContact O-N 3.05Å; W192-R195 VanDerWaalsContact O-N 3.14Å; K193-R195 VanDerWaalsContact C-N 3.3Å; K193-R195 PolarHBondContact O-N 3.47Å |
| 196 | N | 97.7 | Very high | 95.4 | Very high | 100 Ų | 100 | 135.6 Ų | 135.6 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | 15.6 | -178.7 | -64.3 | -96.2 | 0 | 0 | 0 | 111.8 | W192 K193 | W192-N196 VanDerWaalsContact CD1-ND2 3.28Å; W192-N196 HydrophobicContact CZ2-CB 4.43Å; W192-N196 PolarHBondContact NE1-ND2 3.37Å; W192-N196 PolarHBondContact O-N 3.47Å; W192-N196 PolarHBondContact O-ND2 3.21Å; K193-N196 CarbonylContact O-C 3.58Å; K193-N196 PolarHBondContact O-N 3.13Å |
| 197 | T | 97.3 | Very high | 95.4 | Very high | 82 Ų | 82 | 141 Ų | 141 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -102.5 | 115.7 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 107.7 | K193 S199 | K193-T197 WeakPolarHBondContact O-CB 3.4Å; K193-T197 PolarHBondContact O-N 3Å; K193-T197 VanDerWaalsContact O-N 3.08Å; K193-T197 PolarHBondContact O-OG1 3.08Å; T197-S199 PolarHBondContact O-N 2.83Å | ||
| 198 | L | 96.4 | Very high | 95.3 | Very high | 141 Ų | 141 | 146.9 Ų | 146.9 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | trans | -74.6 | 122 | 172.2 | -179.8 | 61.7 | 0 | 0 | 0 | 109.1 | L200 | L198-L200 HydrophobicContact CD1-CD2 4.17Å; L198-L200 HydrophobicContact CD2-CD1 4.25Å; L198-L200 HydrophobicContact CD2-CD2 3.65Å; L198-L200 HydrophobicContact CD2-CG 4.14Å; L198-L200 HydrophobicContact CG-CD2 3.56Å; L198-L200 HydrophobicContact CG-CG 3.99Å; L198-L200 PolarHBondContact O-N 2.96Å | ||
| 199 | S | 95.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 146.6 Ų | 146.6 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | trans | -90.6 | 101.8 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | T197 | T197-S199 PolarHBondContact O-N 2.83Š| ||
| 200 | L | 95.4 | Very high | 95 | Very high | 98 Ų | 98 | 145 Ų | 145 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | trans | -99.4 | 97.6 | 177.4 | -58.8 | -177.8 | 0 | 0 | 0 | 109.6 | L198 R204 | L198-L200 HydrophobicContact CD1-CD2 4.17Å; L198-L200 HydrophobicContact CD2-CD1 4.25Å; L198-L200 HydrophobicContact CD2-CD2 3.65Å; L198-L200 HydrophobicContact CD2-CG 4.14Å; L198-L200 HydrophobicContact CG-CD2 3.56Å; L198-L200 HydrophobicContact CG-CG 3.99Å; L198-L200 PolarHBondContact O-N 2.96Å; L200-R204 VanDerWaalsContact CD2-CZ 3.44Å | ||
| 201 | R | 95.2 | Very high | 94.9 | Very high | 190 Ų | 190 | 143 Ų | 143 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | trans | -70.6 | 156.8 | 177.3 | -64.5 | -178.1 | -179.2 | -176.6 | 0.9 | 110.4 | K203 | R201-K203 WeakPolarHBondContact CB-O 3.49Š| ||
| 202 | R | 93.7 | Very high | 94.6 | Very high | 254 Ų | 254 | 153.7 Ų | 153.7 | 96% | 0.958 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -61.3 | -43.1 | -179.8 | -173.4 | -177.8 | -67.8 | 165.5 | -2.4 | 112 | ||
| 203 | K | 89.9 | Confident | 94.4 | Very high | 190 Ų | 190 | 152.9 Ų | 152.9 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | trans | -107.1 | 127.8 | 167.2 | -61.7 | -172.5 | 177.4 | -172.8 | 0 | 107.4 | R201 | R201-K203 WeakPolarHBondContact CB-O 3.49Š| ||
| 204 | R | 78.7 | Confident | 94 | Very high | 252 Ų | 252 | 154 Ų | 154 | 95% | 0.951 | 68% | 0.682 | S | S | * | * | trans | -110.1 | 0 | 178.1 | -64.4 | -171.2 | -162.5 | 165.2 | 13.8 | 109.8 | L200 | L200-R204 VanDerWaalsContact CD2-CZ 3.44Š|
Retrieved 204 of 204 residues in 144.8 ms
(Link to these results)