| 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 | 35.5 | Very low | 68.9 | Low | 231 Ų | 231 | 84.5 Ų | 84.5 | 100% | 1.138 | 49% | 0.489 | S | S | * | . | 0 | 132.3 | 0 | -69.8 | 175 | -174.6 | 0 | 0 | 107.3 | H3 | M1-H3 PolarHBondContact O-N 2.82Å; M1-H3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | T | 38.1 | Very low | 71 | Confident | 139 Ų | 139 | 77.5 Ų | 77.5 | 85% | 0.853 | 45% | 0.449 | S | S | * | . | trans | -70.7 | 102.6 | -174.5 | 38.3 | 0 | 0 | 0 | 0 | 110.9 | A4 | T2-A4 PolarHBondContact O-N 3.03Š| ||
| 3 | H | 52.4 | Low | 72.8 | Confident | 101 Ų | 101 | 78.2 Ų | 78.2 | 47% | 0.468 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -61.3 | 14.9 | 176.5 | -76.5 | -69.5 | 0 | 0 | 0 | 115.5 | M1 G5 E6 M7 | M1-H3 PolarHBondContact O-N 2.82Å; M1-H3 VanDerWaalsContact O-N 3.12Å; H3-G5 PolarHBondContact O-N 3.33Å; H3-E6 IonicContact CE1-OE2 3.54Å; H3-E6 IonicContact CG-OE2 3.95Å; H3-E6 IonicContact ND1-OE2 2.8Å; H3-E6 PolarHBondContact ND1-OE2 2.53Å; H3-E6 PolarHBondContact O-N 3.16Å; H3-M7 WeakPolarHBondContact O-CE 3.3Å |
| 4 | A | 51.1 | Low | 74.4 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 67% | 0.669 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -60 | -20.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T2 | T2-A4 PolarHBondContact O-N 3.03Š|
| 5 | G | 54.7 | Low | 75.8 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 57% | 0.567 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -88.9 | -7.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H3 K92 | H3-G5 PolarHBondContact O-N 3.33Å; G5-K92 WeakPolarHBondContact O-CE 3.44Å; G5-K92 PolarHBondContact O-NZ 3.02Å |
| 6 | E | 68 | Low | 76.7 | Confident | 105 Ų | 105 | 66 Ų | 66 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -112.9 | 6.7 | -169.2 | -69.7 | 178.4 | 160.2 | 0 | 0 | 114 | H3 K92 | H3-E6 IonicContact CE1-OE2 3.54Å; H3-E6 IonicContact CG-OE2 3.95Å; H3-E6 IonicContact ND1-OE2 2.8Å; H3-E6 PolarHBondContact ND1-OE2 2.53Å; H3-E6 PolarHBondContact O-N 3.16Å; E6-K92 WeakPolarHBondContact O-CG 3.37Å; E6-K92 PolarHBondContact O-N 3.34Å |
| 7 | M | 84.7 | Confident | 77.6 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 21% | 0.207 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140 | -173.8 | -65.5 | -177.4 | -73.6 | 0 | 0 | 111.9 | H3 V89 L90 Y130 | H3-M7 WeakPolarHBondContact O-CE 3.3Å; M7-V89 HydrophobicContact CB-CB 4.09Å; M7-V89 HydrophobicContact CB-CG2 4.22Å; M7-V89 HydrophobicContact CG-CB 4.43Å; M7-V89 HydrophobicContact CG-CG2 4.01Å; M7-V89 HydrophobicContact SD-CB 4.29Å; M7-V89 HydrophobicContact SD-CG2 3.47Å; M7-V89 WeakPolarHBondContact SD-CG2 3.32Å; M7-L90 CarbonylContact C-O 3.59Å; M7-L90 WeakPolarHBondContact CA-O 2.76Å; M7-Y130 HydrophobicContact CG-CD2 4.46Å; M7-Y130 HydrophobicContact CG-CE2 4.03Å |
| 8 | E | 91.8 | Very high | 78.3 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 175.1 | 175.1 | -75.2 | -176.7 | 179.6 | 0 | 0 | 111.7 | V89 L90 K92 R99 | E8-V89 CarbonylContact O-C 3.24Å; E8-V89 WeakPolarHBondContact O-CA 3.18Å; E8-L90 PolarHBondContact N-O 3.13Å; E8-L90 PolarHBondContact O-N 3.43Å; E8-K92 HydrophobicContact CB-CG 4.5Å; E8-K92 HydrophobicContact CG-CD 4.25Å; E8-K92 HydrophobicContact CG-CG 3.65Å; E8-K92 WeakPolarHBondContact OE1-CE 3.36Å; E8-R99 IonicContact OE2-CZ 3.64Å; E8-R99 IonicContact OE2-NH1 2.96Å; E8-R99 PolarHBondContact OE2-NH1 3.27Å |
| 9 | T | 92.3 | Very high | 78.3 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 32% | 0.319 | 36% | 0.359 | S | S | . | . | trans | -126.5 | 164.8 | 170.4 | 59.2 | 0 | 0 | 0 | 0 | 109.1 | V89 R99 P119 | T9-V89 HydrophobicContact CG2-CG1 4.42Å; T9-R99 PolarHBondContact O-NH2 3.1Å; T9-P119 HydrophobicContact CG2-CB 3.63Å | ||
| 10 | L | 95.3 | Very high | 78.5 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | trans | -69.9 | 136 | 177.2 | -61.8 | 167.6 | 0 | 0 | 0 | 110.6 | D14 F15 Y88 L90 R99 I102 A103 M106 H303 | L10-D14 HydrophobicContact CB-CB 4.29Å; L10-D14 HydrophobicContact CD2-CB 4Å; L10-F15 HydrophobicContact CB-CD2 4.3Å; L10-F15 HydrophobicContact CB-CE2 3.61Å; L10-F15 HydrophobicContact CB-CZ 4.21Å; L10-F15 HydrophobicContact CD1-CE2 4.18Å; L10-F15 HydrophobicContact CD1-CZ 3.96Å; L10-Y88 VanDerWaalsContact CB-OH 3.26Å; L10-Y88 WeakPolarHBondContact CB-OH 3.38Å; L10-Y88 HydrophobicContact CD1-CE2 4.31Å; L10-Y88 WeakPolarHBondContact CD1-OH 3.12Å; L10-Y88 HydrophobicContact CG-CE2 4.13Å; L10-Y88 WeakPolarHBondContact CG-OH 3.11Å; L10-Y88 PolarHBondContact N-OH 3.05Å; L10-L90 HydrophobicContact CD2-CD1 4.34Å; L10-L90 HydrophobicContact CD2-CD2 3.81Å; L10-L90 HydrophobicContact CG-CD1 4.03Å; L10-L90 HydrophobicContact CG-CD2 4.37Å; L10-R99 HydrophobicContact CD2-CB 3.83Å; L10-R99 HydrophobicContact CD2-CG 4.43Å; L10-R99 WeakPolarHBondContact CD2-O 3.37Å; L10-I102 HydrophobicContact CD1-CG2 4.26Å; L10-A103 HydrophobicContact CD1-CB 3.74Å; L10-A103 HydrophobicContact CD2-CB 4.35Å; L10-M106 HydrophobicContact CD1-SD 3.68Å; L10-H303 PolarHBondContact O-CE1 2.83Å; L10-H303 VanDerWaalsContact O-CE1 3.28Å | ||
| 11 | S | 94 | Very high | 78.7 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 37% | 0.369 | S | S | . | . | trans | -87.7 | 164 | 175.3 | 69.6 | 0 | 0 | 0 | 0 | 110.7 | D13 D14 F15 | S11-D13 PolarHBondContact O-N 3.35Å; S11-D13 PolarHBondContact OG-N 3.23Å; S11-D14 WeakPolarHBondContact CB-OD2 3.07Å; S11-D14 PolarHBondContact N-OD2 3.12Å; S11-D14 WeakPolarHBondContact O-CB 3.35Å; S11-D14 PolarHBondContact O-N 3.48Å; S11-D14 VanDerWaalsContact O-N 3.08Å; S11-D14 VanDerWaalsContact OG-CG 3.29Å; S11-D14 PolarHBondContact OG-N 2.94Å; S11-D14 PolarHBondContact OG-OD2 2.97Å; S11-F15 VanDerWaalsContact O-CD2 3.31Å; S11-F15 WeakPolarHBondContact O-CD2 3.3Å; S11-F15 PolarHBondContact O-N 2.99Å | ||
| 12 | I | 94.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -32.4 | 172.7 | -170.9 | 164.7 | 0 | 0 | 0 | 112.3 | D14 F15 M16 W307 Y312 Y318 Y321 M322 | I12-D14 VanDerWaalsContact C-N 3.32Å; I12-D14 PolarHBondContact O-N 3.4Å; I12-F15 PolarHBondContact O-N 3.06Å; I12-M16 HydrophobicContact CG1-CG 4.34Å; I12-M16 HydrophobicContact CG1-SD 4.25Å; I12-M16 WeakPolarHBondContact O-CG 3.22Å; I12-M16 PolarHBondContact O-N 3.44Å; I12-W307 HydrophobicContact CB-CD2 4.16Å; I12-W307 HydrophobicContact CB-CZ2 4.1Å; I12-W307 HydrophobicContact CD1-CD2 4.25Å; I12-W307 HydrophobicContact CD1-CE3 4.29Å; I12-W307 HydrophobicContact CG1-CD2 4.33Å; I12-W307 HydrophobicContact CG1-CE3 4.45Å; I12-W307 HydrophobicContact CG1-CZ2 4.46Å; I12-Y312 HydrophobicContact CD1-CD1 4.17Å; I12-Y312 HydrophobicContact CD1-CG 4.06Å; I12-Y312 HydrophobicContact CG2-CD1 3.91Å; I12-Y312 HydrophobicContact CG2-CE1 3.52Å; I12-Y312 HydrophobicContact CG2-CE2 4.21Å; I12-Y312 HydrophobicContact CG2-CG 4.41Å; I12-Y318 HydrophobicContact CB-CD1 4.49Å; I12-Y318 HydrophobicContact CB-CE1 4.5Å; I12-Y318 HydrophobicContact CD1-CD1 3.58Å; I12-Y318 HydrophobicContact CD1-CE1 4.39Å; I12-Y318 HydrophobicContact CD1-CG 4.14Å; I12-Y318 HydrophobicContact CG1-CD1 3.87Å; I12-Y318 HydrophobicContact CG1-CE1 4.28Å; I12-Y318 HydrophobicContact CG2-CD1 3.81Å; I12-Y318 HydrophobicContact CG2-CE1 3.5Å; I12-Y321 HydrophobicContact CD1-CD1 4.01Å; I12-Y321 HydrophobicContact CD1-CE1 4.38Å; I12-Y321 HydrophobicContact CG1-CD1 4.08Å; I12-Y321 HydrophobicContact CG1-CE1 4.12Å; I12-M322 HydrophobicContact CD1-CG 4.03Å; I12-M322 HydrophobicContact CD1-SD 3.59Å; I12-M322 VanDerWaalsContact CD1-SD 3.59Å |
| 13 | D | 94.3 | Very high | 81.4 | Confident | 86 Ų | 86 | 58.6 Ų | 58.6 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -33.3 | 177.1 | -68 | -36.6 | 0 | 0 | 0 | 111.8 | S11 G17 Y318 | S11-D13 PolarHBondContact O-N 3.35Å; S11-D13 PolarHBondContact OG-N 3.23Å; D13-G17 PolarHBondContact O-N 3.18Å; D13-Y318 WeakPolarHBondContact OD1-CE1 3.47Å; D13-Y318 PolarHBondContact OD1-OH 3.03Å; D13-Y318 PolarHBondContact OD2-OH 2.83Å |
| 14 | D | 95.8 | Very high | 81.9 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 174.3 | -61.4 | -60.5 | 0 | 0 | 0 | 110.7 | L10 S11 I12 A18 R99 A103 | L10-D14 HydrophobicContact CB-CB 4.29Å; L10-D14 HydrophobicContact CD2-CB 4Å; S11-D14 WeakPolarHBondContact CB-OD2 3.07Å; S11-D14 PolarHBondContact N-OD2 3.12Å; S11-D14 WeakPolarHBondContact O-CB 3.35Å; S11-D14 PolarHBondContact O-N 3.48Å; S11-D14 VanDerWaalsContact O-N 3.08Å; S11-D14 VanDerWaalsContact OG-CG 3.29Å; S11-D14 PolarHBondContact OG-N 2.94Å; S11-D14 PolarHBondContact OG-OD2 2.97Å; I12-D14 VanDerWaalsContact C-N 3.32Å; I12-D14 PolarHBondContact O-N 3.4Å; D14-A18 WeakPolarHBondContact O-CB 3.44Å; D14-A18 PolarHBondContact O-N 3.25Å; D14-R99 WeakPolarHBondContact OD1-CB 3.44Å; D14-R99 IonicContact OD1-NE 3.99Å; D14-R99 PolarHBondContact OD1-NE 3.09Å; D14-R99 VanDerWaalsContact OD1-NE 3.13Å; D14-R99 IonicContact OD2-CZ 2.85Å; D14-R99 IonicContact OD2-NE 3.11Å; D14-R99 PolarHBondContact OD2-NE 3.03Å; D14-R99 IonicContact OD2-NH2 3.27Å; D14-R99 PolarHBondContact OD2-NH2 2.66Å; D14-A103 HydrophobicContact CB-CB 4.25Å |
| 15 | F | 94 | Very high | 82.1 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.7 | -40 | 177.5 | -72 | -86.9 | 0 | 0 | 0 | 113.1 | L10 S11 I12 G17 A18 S19 A103 D107 N301 H303 W307 Y321 | L10-F15 HydrophobicContact CB-CD2 4.3Å; L10-F15 HydrophobicContact CB-CE2 3.61Å; L10-F15 HydrophobicContact CB-CZ 4.21Å; L10-F15 HydrophobicContact CD1-CE2 4.18Å; L10-F15 HydrophobicContact CD1-CZ 3.96Å; S11-F15 VanDerWaalsContact O-CD2 3.31Å; S11-F15 WeakPolarHBondContact O-CD2 3.3Å; S11-F15 PolarHBondContact O-N 2.99Å; I12-F15 PolarHBondContact O-N 3.06Å; F15-G17 VanDerWaalsContact C-N 3.33Å; F15-A18 WeakPolarHBondContact O-CB 3.26Å; F15-A18 PolarHBondContact O-N 3.28Å; F15-S19 PolarHBondContact O-N 2.83Å; F15-A103 HydrophobicContact CD1-CB 3.93Å; F15-A103 HydrophobicContact CD2-CB 4.46Å; F15-A103 HydrophobicContact CE1-CB 4.08Å; F15-A103 HydrophobicContact CG-CB 4.14Å; F15-A103 HydrophobicContact CZ-CB 4.43Å; F15-D107 HydrophobicContact CD1-CB 4.23Å; F15-D107 HydrophobicContact CE1-CB 4.34Å; F15-N301 WeakPolarHBondContact CE1-ND2 3.4Å; F15-H303 AromaticContact CE2-CD2 3.71Å; F15-H303 AromaticContact CE2-NE2 3.67Å; F15-H303 AromaticContact CZ-CD2 3.71Å; F15-H303 AromaticContact CZ-NE2 3.69Å; F15-W307 HydrophobicContact CB-CH2 4.18Å; F15-W307 AromaticContact CD2-CH2 3.44Å; F15-W307 HydrophobicContact CD2-CH2 3.44Å; F15-W307 VanDerWaalsContact CD2-CH2 3.44Å; F15-W307 AromaticContact CD2-CZ2 3.34Å; F15-W307 HydrophobicContact CD2-CZ2 3.34Å; F15-W307 AromaticContact CE2-CH2 3.85Å; F15-W307 HydrophobicContact CE2-CH2 3.85Å; F15-W307 AromaticContact CE2-CZ2 3.63Å; F15-W307 HydrophobicContact CE2-CZ2 3.63Å; F15-W307 AromaticContact CG-CH2 3.82Å; F15-W307 HydrophobicContact CG-CH2 3.82Å; F15-W307 HydrophobicContact CG-CZ2 4.18Å; F15-Y321 WeakPolarHBondContact CB-OH 3.2Å |
| 16 | M | 91.5 | Very high | 82.3 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 14% | 0.143 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 173.6 | -72.6 | -175.9 | 68.5 | 0 | 0 | 111.4 | I12 S19 Y318 Y321 | I12-M16 HydrophobicContact CG1-CG 4.34Å; I12-M16 HydrophobicContact CG1-SD 4.25Å; I12-M16 WeakPolarHBondContact O-CG 3.22Å; I12-M16 PolarHBondContact O-N 3.44Å; M16-S19 PolarHBondContact O-N 2.95Å; M16-S19 PolarHBondContact O-OG 2.85Å; M16-Y318 HydrophobicContact SD-CD1 3.4Å; M16-Y318 WeakPolarHBondContact SD-CD1 3.44Å; M16-Y318 HydrophobicContact SD-CE1 3.69Å; M16-Y321 HydrophobicContact CG-CD1 4.19Å; M16-Y321 HydrophobicContact CG-CD2 4.01Å; M16-Y321 HydrophobicContact CG-CE2 4.35Å; M16-Y321 HydrophobicContact CG-CG 3.92Å; M16-Y321 HydrophobicContact SD-CG 4.38Å |
| 17 | G | 91.3 | Very high | 81.9 | Confident | 11 Ų | 11 | 69.8 Ų | 69.8 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D13 F15 S19 R20 L21 | D13-G17 PolarHBondContact O-N 3.18Å; F15-G17 VanDerWaalsContact C-N 3.33Å; G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.37Å; G17-R20 WeakPolarHBondContact O-CA 3.42Å; G17-R20 WeakPolarHBondContact O-CB 3.46Å; G17-R20 PolarHBondContact O-N 2.78Å; G17-L21 PolarHBondContact O-N 2.69Å |
| 18 | A | 89.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -54.3 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D14 F15 R20 L21 Q100 A103 R104 | D14-A18 WeakPolarHBondContact O-CB 3.44Å; D14-A18 PolarHBondContact O-N 3.25Å; F15-A18 WeakPolarHBondContact O-CB 3.26Å; F15-A18 PolarHBondContact O-N 3.28Å; A18-R20 PolarHBondContact O-N 2.92Å; A18-L21 WeakPolarHBondContact O-CB 3.22Å; A18-L21 PolarHBondContact O-N 2.81Å; A18-L21 VanDerWaalsContact O-N 3.16Å; A18-Q100 VanDerWaalsContact CB-O 3.23Å; A18-Q100 WeakPolarHBondContact CB-O 3.31Å; A18-A103 HydrophobicContact CB-CB 4.14Å; A18-R104 HydrophobicContact CB-CB 3.91Å |
| 19 | S | 78.5 | Confident | 80.8 | Confident | 88 Ų | 88 | 69.9 Ų | 69.9 | 62% | 0.615 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18.9 | 176.8 | 76.6 | 0 | 0 | 0 | 0 | 114.5 | F15 M16 G17 | F15-S19 PolarHBondContact O-N 2.83Å; M16-S19 PolarHBondContact O-N 2.95Å; M16-S19 PolarHBondContact O-OG 2.85Å; G17-S19 VanDerWaalsContact C-N 3.28Å; G17-S19 PolarHBondContact O-N 3.37Å |
| 20 | R | 82.1 | Confident | 80.1 | Confident | 191 Ų | 191 | 72.4 Ų | 72.4 | 72% | 0.721 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -10.7 | 179.9 | -58.4 | 176.7 | -169.6 | 168.2 | 4 | 112.7 | G17 A18 A22 | G17-R20 WeakPolarHBondContact O-CA 3.42Å; G17-R20 WeakPolarHBondContact O-CB 3.46Å; G17-R20 PolarHBondContact O-N 2.78Å; A18-R20 PolarHBondContact O-N 2.92Å; R20-A22 PolarHBondContact O-N 2.61Å |
| 21 | L | 82.6 | Confident | 79.4 | Confident | 41 Ų | 41 | 78.9 Ų | 78.9 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -63.4 | 119.7 | 175.4 | -67.7 | 178.5 | 0 | 0 | 0 | 108.5 | G17 A18 Q100 L101 | G17-L21 PolarHBondContact O-N 2.69Å; A18-L21 WeakPolarHBondContact O-CB 3.22Å; A18-L21 PolarHBondContact O-N 2.81Å; A18-L21 VanDerWaalsContact O-N 3.16Å; L21-Q100 HydrophobicContact CD1-CB 3.89Å; L21-Q100 HydrophobicContact CG-CB 4.45Å; L21-L101 HydrophobicContact CD1-CD2 3.8Å; L21-L101 HydrophobicContact CD1-CG 3.96Å |
| 22 | A | 66 | Low | 78.9 | Confident | 87 Ų | 87 | 85.3 Ų | 85.3 | 72% | 0.719 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 144.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | R20 R104 | R20-A22 PolarHBondContact O-N 2.61Å; A22-R104 PolarHBondContact O-NH1 2.85Å |
| 23 | E | 65.5 | Low | 78.1 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -59 | 144.7 | 162.5 | -69.3 | -163.8 | 162.8 | 0 | 0 | 108.9 | E25 K26 | E23-E25 PolarHBondContact O-N 2.9Å; E23-K26 VanDerWaalsContact OE2-CE 3.27Å; E23-K26 WeakPolarHBondContact OE2-CE 3.42Å; E23-K26 IonicContact OE2-NZ 2.76Å; E23-K26 PolarHBondContact OE2-NZ 3.31Å |
| 24 | P | 61.5 | Low | 77.4 | Confident | 96 Ų | 96 | 86.7 Ų | 86.7 | 62% | 0.623 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 140.7 | 175.4 | 19.6 | -29.7 | 0 | 0 | 0 | 110.4 | K26 | P24-K26 PolarHBondContact O-N 3.43Å; P24-K26 VanDerWaalsContact O-N 3.1Å |
| 25 | E | 56 | Low | 76.8 | Confident | 155 Ų | 155 | 91 Ų | 91 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 117.6 | -177.1 | -71.3 | -174.7 | 160.9 | 0 | 0 | 110.7 | E23 N27 I28 | E23-E25 PolarHBondContact O-N 2.9Å; E25-N27 PolarHBondContact O-N 2.93Å; E25-I28 HydrophobicContact CB-CG1 4.47Å |
| 26 | K | 58.3 | Low | 76.4 | Confident | 167 Ų | 167 | 92.8 Ų | 92.8 | 73% | 0.726 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -72.3 | -6.3 | 178.5 | -67.9 | 177.1 | -177.6 | 164.7 | 0 | 113.2 | E23 P24 | E23-K26 VanDerWaalsContact OE2-CE 3.27Å; E23-K26 WeakPolarHBondContact OE2-CE 3.42Å; E23-K26 IonicContact OE2-NZ 2.76Å; E23-K26 PolarHBondContact OE2-NZ 3.31Å; P24-K26 PolarHBondContact O-N 3.43Å; P24-K26 VanDerWaalsContact O-N 3.1Å |
| 27 | N | 61 | Low | 75.9 | Confident | 159 Ų | 159 | 96.1 Ų | 96.1 | 85% | 0.85 | 50% | 0.501 | S | S | * | . | trans | -110.5 | 53.9 | -173.8 | -71.3 | -15.5 | 0 | 0 | 0 | 112.5 | E25 | E25-N27 PolarHBondContact O-N 2.93Š| ||
| 28 | I | 72.8 | Confident | 75.4 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | trans | -100.9 | 140.7 | 171.3 | -61.7 | 172.5 | 0 | 0 | 0 | 108.3 | E25 R32 L33 | E25-I28 HydrophobicContact CB-CG1 4.47Å; I28-R32 HydrophobicContact CG2-CB 3.25Å; I28-R32 HydrophobicContact CG2-CG 4.3Å; I28-L33 HydrophobicContact CB-CD2 4.02Å; I28-L33 HydrophobicContact CB-CG 3.96Å; I28-L33 HydrophobicContact CG2-CD2 4.32Å; I28-L33 HydrophobicContact CG2-CG 4Å; I28-L33 VanDerWaalsContact O-CD1 3.3Å; I28-L33 WeakPolarHBondContact O-CD1 3.37Å | ||
| 29 | S | 79.3 | Confident | 75.4 | Confident | 63 Ų | 63 | 106.8 Ų | 106.8 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | trans | -54.9 | 146.6 | 175.3 | 62 | 0 | 0 | 0 | 0 | 111.2 | E31 R32 L33 | S29-E31 PolarHBondContact O-N 3.41Å; S29-E31 VanDerWaalsContact O-N 3.12Å; S29-R32 PolarHBondContact O-N 3.35Å; S29-R32 VanDerWaalsContact O-N 3.09Å; S29-R32 WeakPolarHBondContact OG-CB 3.32Å; S29-R32 WeakPolarHBondContact OG-CG 3.3Å; S29-R32 PolarHBondContact OG-N 3.27Å; S29-L33 PolarHBondContact O-N 3.2Å | ||
| 30 | S | 78.9 | Confident | 75.8 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 73% | 0.727 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -51.9 | -36.7 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | L33 S34 | S30-L33 PolarHBondContact O-N 2.67Å; S30-S34 PolarHBondContact O-N 3.1Å |
| 31 | E | 79.9 | Confident | 75.7 | Confident | 138 Ų | 138 | 94.8 Ų | 94.8 | 65% | 0.645 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.9 | -51.8 | 177 | -173.9 | 175.4 | -172.4 | 0 | 0 | 112.1 | S29 L33 S34 L35 | S29-E31 PolarHBondContact O-N 3.41Å; S29-E31 VanDerWaalsContact O-N 3.12Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.09Å; E31-S34 WeakPolarHBondContact O-CB 3.42Å; E31-S34 PolarHBondContact O-N 2.99Å; E31-S34 PolarHBondContact O-OG 3.4Å; E31-L35 PolarHBondContact O-N 3.1Å |
| 32 | R | 82.6 | Confident | 75.7 | Confident | 176 Ų | 176 | 98.7 Ų | 98.7 | 66% | 0.664 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.3 | -39 | 174.9 | -75.2 | -179 | -179.6 | -172.6 | 0.6 | 112.5 | I28 S29 S34 L35 D36 | I28-R32 HydrophobicContact CG2-CB 3.25Å; I28-R32 HydrophobicContact CG2-CG 4.3Å; S29-R32 PolarHBondContact O-N 3.35Å; S29-R32 VanDerWaalsContact O-N 3.09Å; S29-R32 WeakPolarHBondContact OG-CB 3.32Å; S29-R32 WeakPolarHBondContact OG-CG 3.3Å; S29-R32 PolarHBondContact OG-N 3.27Å; R32-S34 VanDerWaalsContact C-N 3.29Å; R32-S34 PolarHBondContact O-N 3.15Å; R32-L35 PolarHBondContact O-N 3.11Å; R32-D36 VanDerWaalsContact O-CB 3.32Å; R32-D36 WeakPolarHBondContact O-CB 3.18Å; R32-D36 PolarHBondContact O-N 2.86Å |
| 33 | L | 78.8 | Confident | 76.6 | Confident | 68 Ų | 68 | 96.3 Ų | 96.3 | 36% | 0.356 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 173.3 | -74.3 | 168.2 | 0 | 0 | 0 | 111.5 | I28 S29 S30 E31 R37 | I28-L33 HydrophobicContact CB-CD2 4.02Å; I28-L33 HydrophobicContact CB-CG 3.96Å; I28-L33 HydrophobicContact CG2-CD2 4.32Å; I28-L33 HydrophobicContact CG2-CG 4Å; I28-L33 VanDerWaalsContact O-CD1 3.3Å; I28-L33 WeakPolarHBondContact O-CD1 3.37Å; S29-L33 PolarHBondContact O-N 3.2Å; S30-L33 PolarHBondContact O-N 2.67Å; E31-L33 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.09Å; L33-R37 WeakPolarHBondContact O-CB 3.3Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.29Å; L33-R37 PolarHBondContact O-N 2.66Å |
| 34 | S | 79.7 | Confident | 77.4 | Confident | 49 Ų | 49 | 90.5 Ų | 90.5 | 34% | 0.343 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 177.9 | 79.5 | 0 | 0 | 0 | 0 | 112.8 | S30 E31 R32 R38 | S30-S34 PolarHBondContact O-N 3.1Å; E31-S34 WeakPolarHBondContact O-CB 3.42Å; E31-S34 PolarHBondContact O-N 2.99Å; E31-S34 PolarHBondContact O-OG 3.4Å; R32-S34 VanDerWaalsContact C-N 3.29Å; R32-S34 PolarHBondContact O-N 3.15Å; S34-R38 VanDerWaalsContact O-CG 3.3Å; S34-R38 WeakPolarHBondContact O-CG 3.37Å; S34-R38 PolarHBondContact O-N 3.29Å; S34-R38 VanDerWaalsContact O-N 3.1Å |
| 35 | L | 83.5 | Confident | 78.3 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 176.2 | -72.2 | 170.6 | 0 | 0 | 0 | 111.6 | E31 R32 R38 R39 | E31-L35 PolarHBondContact O-N 3.1Å; R32-L35 PolarHBondContact O-N 3.11Å; L35-R38 PolarHBondContact O-N 2.89Å; L35-R39 PolarHBondContact O-N 2.76Å |
| 36 | D | 84.3 | Confident | 79.6 | Confident | 39 Ų | 39 | 79.9 Ų | 79.9 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 177.4 | -175.9 | 66.1 | 0 | 0 | 0 | 111.4 | R32 R38 R39 K40 | R32-D36 VanDerWaalsContact O-CB 3.32Å; R32-D36 WeakPolarHBondContact O-CB 3.18Å; R32-D36 PolarHBondContact O-N 2.86Å; D36-R38 VanDerWaalsContact C-N 3.3Å; D36-R38 PolarHBondContact O-N 2.76Å; D36-R39 PolarHBondContact O-N 3.19Å; D36-R39 IonicContact OD1-CZ 2.73Å; D36-R39 IonicContact OD1-NH1 2.78Å; D36-R39 IonicContact OD1-NH2 2.8Å; D36-R39 PolarHBondContact OD1-NH2 2.7Å; D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.19Å; D36-K40 PolarHBondContact O-N 3.22Å; D36-K40 IonicContact OD1-NZ 3.71Å; D36-K40 WeakPolarHBondContact OD2-CE 3.36Å; D36-K40 IonicContact OD2-NZ 2.68Å; D36-K40 PolarHBondContact OD2-NZ 2.84Å |
| 37 | R | 81.5 | Confident | 81 | Confident | 100 Ų | 100 | 72 Ų | 72 | 38% | 0.377 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57 | -42.4 | 173 | -76.6 | 178.6 | 178.2 | -166.2 | -2.5 | 112.3 | L33 K40 A41 S245 | L33-R37 WeakPolarHBondContact O-CB 3.3Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.29Å; L33-R37 PolarHBondContact O-N 2.66Å; R37-K40 PolarHBondContact O-N 2.86Å; R37-A41 VanDerWaalsContact O-CB 3.32Å; R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.4Å; R37-S245 PolarHBondContact NH1-O 2.81Å |
| 38 | R | 81.1 | Confident | 81.8 | Confident | 126 Ų | 126 | 64.8 Ų | 64.8 | 48% | 0.475 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.8 | -75 | 175.9 | -177.4 | -169.7 | 3 | 112.6 | S34 L35 D36 A41 L42 | S34-R38 VanDerWaalsContact O-CG 3.3Å; S34-R38 WeakPolarHBondContact O-CG 3.37Å; S34-R38 PolarHBondContact O-N 3.29Å; S34-R38 VanDerWaalsContact O-N 3.1Å; L35-R38 PolarHBondContact O-N 2.89Å; D36-R38 VanDerWaalsContact C-N 3.3Å; D36-R38 PolarHBondContact O-N 2.76Å; R38-A41 PolarHBondContact O-N 2.83Å; R38-L42 WeakPolarHBondContact O-CG 3.27Å; R38-L42 PolarHBondContact O-N 3.34Å; R38-L42 VanDerWaalsContact O-N 3.09Å |
| 39 | R | 89.4 | Confident | 82 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 174.9 | -176.9 | -170 | 71.7 | -148 | -11.1 | 110.2 | L35 D36 A41 L42 L43 E158 | L35-R39 PolarHBondContact O-N 2.76Å; D36-R39 PolarHBondContact O-N 3.19Å; D36-R39 IonicContact OD1-CZ 2.73Å; D36-R39 IonicContact OD1-NH1 2.78Å; D36-R39 IonicContact OD1-NH2 2.8Å; D36-R39 PolarHBondContact OD1-NH2 2.7Å; R39-A41 VanDerWaalsContact C-N 3.29Å; R39-A41 PolarHBondContact O-N 3.09Å; R39-L42 WeakPolarHBondContact O-CB 3.34Å; R39-L42 PolarHBondContact O-N 3.48Å; R39-L42 VanDerWaalsContact O-N 3.11Å; R39-L43 HydrophobicContact CG-CD1 4.23Å; R39-L43 PolarHBondContact O-N 3.48Å; R39-L43 VanDerWaalsContact O-N 3.14Å; R39-E158 IonicContact CZ-OE1 3.72Å; R39-E158 IonicContact NE-OE1 2.7Å; R39-E158 IonicContact NH2-OE1 3.43Å; R39-E158 PolarHBondContact NH2-OE1 2.86Å; R39-E158 IonicContact NH2-OE2 3.45Å; R39-E158 PolarHBondContact NH2-OE2 3.38Å |
| 40 | K | 86.3 | Confident | 81.2 | Confident | 23 Ų | 23 | 59 Ų | 59 | 10% | 0.1 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -42.2 | -179.9 | -70.5 | 169.5 | 168.6 | 172.1 | 0 | 112.2 | D36 R37 L42 L43 T44 E158 I161 R250 | D36-K40 VanDerWaalsContact O-CG 3.31Å; D36-K40 WeakPolarHBondContact O-CG 3.19Å; D36-K40 PolarHBondContact O-N 3.22Å; D36-K40 IonicContact OD1-NZ 3.71Å; D36-K40 WeakPolarHBondContact OD2-CE 3.36Å; D36-K40 IonicContact OD2-NZ 2.68Å; D36-K40 PolarHBondContact OD2-NZ 2.84Å; R37-K40 PolarHBondContact O-N 2.86Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 3.4Å; K40-L43 PolarHBondContact O-N 3.31Å; K40-T44 PolarHBondContact O-N 2.8Å; K40-T44 PolarHBondContact O-OG1 3.35Å; K40-E158 VanDerWaalsContact CE-OE1 3.31Å; K40-E158 WeakPolarHBondContact CE-OE1 3.47Å; K40-E158 WeakPolarHBondContact CE-OE2 3.35Å; K40-E158 WeakPolarHBondContact CG-OE1 3.22Å; K40-E158 IonicContact NZ-OE2 3.13Å; K40-E158 PolarHBondContact NZ-OE2 3.08Å; K40-E158 VanDerWaalsContact NZ-OE2 3.17Å; K40-I161 HydrophobicContact CB-CD1 4.47Å; K40-I161 HydrophobicContact CG-CD1 4.19Å; K40-R250 HydrophobicContact CB-CB 4.43Å; K40-R250 HydrophobicContact CB-CG 4.04Å; K40-R250 HydrophobicContact CD-CB 4.11Å |
| 41 | A | 79.8 | Confident | 80.2 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R37 R38 R39 L43 A45 D224 | R37-A41 VanDerWaalsContact O-CB 3.32Å; R37-A41 WeakPolarHBondContact O-CB 3.41Å; R37-A41 PolarHBondContact O-N 3.4Å; R38-A41 PolarHBondContact O-N 2.83Å; R39-A41 VanDerWaalsContact C-N 3.29Å; R39-A41 PolarHBondContact O-N 3.09Å; A41-L43 VanDerWaalsContact C-N 3.34Å; A41-A45 WeakPolarHBondContact O-CB 3.37Å; A41-D224 HydrophobicContact CB-CB 3.36Å |
| 42 | L | 83.6 | Confident | 79.1 | Confident | 123 Ų | 123 | 50 Ų | 50 | 64% | 0.644 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.7 | -32 | 175.5 | -71.9 | 170.5 | 0 | 0 | 0 | 112.6 | R38 R39 K40 | R38-L42 WeakPolarHBondContact O-CG 3.27Å; R38-L42 PolarHBondContact O-N 3.34Å; R38-L42 VanDerWaalsContact O-N 3.09Å; R39-L42 WeakPolarHBondContact O-CB 3.34Å; R39-L42 PolarHBondContact O-N 3.48Å; R39-L42 VanDerWaalsContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.32Å; K40-L42 PolarHBondContact O-N 3.4Å |
| 43 | L | 84.6 | Confident | 77.5 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.7 | -34.2 | 178.8 | -72.4 | 170.1 | 0 | 0 | 0 | 112.3 | R39 K40 A41 D155 I161 | R39-L43 HydrophobicContact CG-CD1 4.23Å; R39-L43 PolarHBondContact O-N 3.48Å; R39-L43 VanDerWaalsContact O-N 3.14Å; K40-L43 PolarHBondContact O-N 3.31Å; A41-L43 VanDerWaalsContact C-N 3.34Å; L43-D155 HydrophobicContact CD1-CB 4.2Å; L43-D155 VanDerWaalsContact CD1-O 3.28Å; L43-D155 WeakPolarHBondContact CD1-O 3.4Å; L43-D155 HydrophobicContact CD2-CB 3.94Å; L43-I161 HydrophobicContact CB-CD1 4.1Å; L43-I161 HydrophobicContact CD1-CD1 3.57Å |
| 44 | T | 82.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 37 | 177.8 | 61.9 | 0 | 0 | 0 | 0 | 112 | K40 D47 I161 H164 Y223 R250 | K40-T44 PolarHBondContact O-N 2.8Å; K40-T44 PolarHBondContact O-OG1 3.35Å; T44-D47 WeakPolarHBondContact CA-OD2 3.38Å; T44-D47 VanDerWaalsContact CB-OD2 3.22Å; T44-D47 WeakPolarHBondContact CB-OD2 3.24Å; T44-I161 HydrophobicContact CG2-CG1 4.27Å; T44-I161 HydrophobicContact CG2-CG2 4.11Å; T44-H164 HydrophobicContact CG2-CB 4.28Å; T44-Y223 WeakPolarHBondContact O-CE1 3.4Å; T44-R250 PolarHBondContact OG1-NE 3.08Å; T44-R250 PolarHBondContact OG1-NH2 3.03Å |
| 45 | A | 80.7 | Confident | 75 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -122.5 | 118.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | A41 D47 F228 | A41-A45 WeakPolarHBondContact O-CB 3.37Å; A45-D47 VanDerWaalsContact C-N 3.25Å; A45-F228 HydrophobicContact CB-CD2 4.43Å; A45-F228 HydrophobicContact CB-CE1 4.46Å; A45-F228 HydrophobicContact CB-CE2 3.64Å; A45-F228 HydrophobicContact CB-CZ 3.66Å |
| 46 | G | 82.3 | Confident | 73.1 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 70 | 26.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I48 S52 M55 E199 Y223 | G46-I48 VanDerWaalsContact C-N 3.29Å; G46-I48 PolarHBondContact O-N 3.08Å; G46-S52 WeakPolarHBondContact O-CB 3.14Å; G46-M55 WeakPolarHBondContact O-CE 3.48Å; G46-E199 VanDerWaalsContact CA-OE2 3.23Å; G46-E199 WeakPolarHBondContact CA-OE2 3.5Å; G46-Y223 PolarHBondContact N-OH 2.91Å |
| 47 | D | 87.7 | Confident | 71.2 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | trans | -83.3 | 6.7 | -176.7 | 56.8 | -6.3 | 0 | 0 | 0 | 113.8 | T44 A45 M55 C137 Y138 S139 H164 H168 H174 | T44-D47 WeakPolarHBondContact CA-OD2 3.38Å; T44-D47 VanDerWaalsContact CB-OD2 3.22Å; T44-D47 WeakPolarHBondContact CB-OD2 3.24Å; A45-D47 VanDerWaalsContact C-N 3.25Å; D47-M55 WeakPolarHBondContact O-CE 3.37Å; D47-C137 VanDerWaalsContact CB-O 3.31Å; D47-C137 WeakPolarHBondContact CB-O 3.01Å; D47-Y138 CarbonylContact O-C 3.59Å; D47-Y138 WeakPolarHBondContact O-CA 3.05Å; D47-Y138 WeakPolarHBondContact O-CB 3.42Å; D47-S139 PolarHBondContact O-N 3.28Å; D47-H164 IonicContact OD2-CD2 3.49Å; D47-H164 PolarHBondContact OD2-CD2 3.2Å; D47-H164 IonicContact OD2-NE2 3.87Å; D47-H164 PolarHBondContact OD2-NE2 2.88Å; D47-H168 IonicContact OD1-NE2 3.52Å; D47-H168 IonicContact OD2-NE2 3.63Å; D47-H174 IonicContact OD1-CE1 3.34Å; D47-H174 PolarHBondContact OD1-CE1 3.4Å; D47-H174 IonicContact OD1-NE2 3.79Å; D47-H174 PolarHBondContact OD1-NE2 3.45Å; D47-H174 IonicContact OD2-NE2 2.82Å | ||
| 48 | I | 79.3 | Confident | 69.6 | Low | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 108.9 | 176.2 | -53.4 | -172.7 | 0 | 0 | 0 | 111.3 | G46 G50 Y51 S52 M55 I141 H168 | G46-I48 VanDerWaalsContact C-N 3.29Å; G46-I48 PolarHBondContact O-N 3.08Å; I48-G50 PolarHBondContact O-N 3.33Å; I48-Y51 HydrophobicContact CG2-CD2 3.55Å; I48-Y51 HydrophobicContact CG2-CE2 4.45Å; I48-Y51 HydrophobicContact CG2-CG 4.02Å; I48-Y51 PolarHBondContact O-N 2.48Å; I48-S52 PolarHBondContact O-N 3.32Å; I48-M55 VanDerWaalsContact N-CE 3.33Å; I48-M55 WeakPolarHBondContact O-CE 3.12Å; I48-I141 HydrophobicContact CD1-CD1 3.82Å; I48-I141 HydrophobicContact CD1-CG1 4.28Å; I48-I141 HydrophobicContact CG2-CD1 3.64Å; I48-I141 HydrophobicContact CG2-CG1 3.59Å; I48-H168 VanDerWaalsContact CD1-CE1 3.41Å; I48-H168 WeakPolarHBondContact CD1-CE1 3.37Å |
| 49 | M | 77.2 | Confident | 68 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 134.8 | -179.2 | 175.3 | 178.9 | -83.9 | 0 | 0 | 110.2 | Y51 M55 L59 Y138 S139 M140 P149 | M49-Y51 VanDerWaalsContact C-N 3.28Å; M49-Y51 PolarHBondContact O-N 2.98Å; M49-M55 HydrophobicContact CB-CE 4.16Å; M49-M55 HydrophobicContact CB-SD 4.02Å; M49-L59 HydrophobicContact CE-CD1 3.95Å; M49-L59 HydrophobicContact CE-CD2 3.64Å; M49-L59 HydrophobicContact CE-CG 4.45Å; M49-L59 HydrophobicContact CG-CD1 3.98Å; M49-Y138 HydrophobicContact CB-CD2 4.11Å; M49-Y138 HydrophobicContact CE-CD2 3.72Å; M49-Y138 HydrophobicContact CE-CE1 4.24Å; M49-Y138 HydrophobicContact CE-CE2 3.04Å; M49-Y138 WeakPolarHBondContact CE-OH 3.32Å; M49-Y138 HydrophobicContact SD-CE2 4.19Å; M49-S139 PolarHBondContact N-O 3.24Å; M49-M140 HydrophobicContact CB-CG 4.08Å; M49-M140 HydrophobicContact CG-CE 4.11Å; M49-M140 HydrophobicContact CG-CG 4.28Å; M49-M140 HydrophobicContact SD-CE 3.4Å; M49-M140 WeakPolarHBondContact SD-CE 3.3Å; M49-M140 HydrophobicContact SD-CG 4.2Å; M49-P149 HydrophobicContact CE-CG 3.65Å; M49-P149 HydrophobicContact SD-CG 3.47Å; M49-P149 WeakPolarHBondContact SD-CG 3.07Å |
| 50 | G | 62.6 | Low | 65.7 | Low | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 0.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I48 F56 S70 | I48-G50 PolarHBondContact O-N 3.33Å; G50-F56 VanDerWaalsContact CA-CZ 3.48Å; G50-F56 WeakPolarHBondContact O-CE2 3.31Å; G50-F56 WeakPolarHBondContact O-CZ 3.43Å; G50-S70 VanDerWaalsContact O-CA 3.25Å; G50-S70 WeakPolarHBondContact O-CA 3.34Å; G50-S70 VanDerWaalsContact O-CB 3.25Å; G50-S70 WeakPolarHBondContact O-CB 3.4Å; G50-S70 PolarHBondContact O-OG 3.06Å |
| 51 | Y | 58.1 | Low | 63.8 | Low | 52 Ų | 52 | 60.4 Ų | 60.4 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -40.7 | 177 | -70.7 | -90.8 | 0 | 0 | 0 | 112.3 | I48 M49 P53 A69 S70 S72 A73 Y203 | I48-Y51 HydrophobicContact CG2-CD2 3.55Å; I48-Y51 HydrophobicContact CG2-CE2 4.45Å; I48-Y51 HydrophobicContact CG2-CG 4.02Å; I48-Y51 PolarHBondContact O-N 2.48Å; M49-Y51 VanDerWaalsContact C-N 3.28Å; M49-Y51 PolarHBondContact O-N 2.98Å; Y51-P53 WeakPolarHBondContact O-CD 3.18Å; Y51-A69 WeakPolarHBondContact CE2-O 3.48Å; Y51-S70 WeakPolarHBondContact CE1-O 3.26Å; Y51-S72 WeakPolarHBondContact OH-CA 3.32Å; Y51-S72 PolarHBondContact OH-N 3.28Å; Y51-A73 HydrophobicContact CE1-CB 3.96Å; Y51-A73 HydrophobicContact CE2-CB 4.28Å; Y51-A73 WeakPolarHBondContact OH-CB 3.42Å; Y51-A73 PolarHBondContact OH-N 3.18Å; Y51-Y203 HydrophobicContact CD1-CE1 4.2Å; Y51-Y203 HydrophobicContact CE1-CE1 4.15Å |
| 52 | S | 55.1 | Low | 62 | Low | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | trans | -74 | 123 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | G46 I48 F54 M55 F56 E199 | G46-S52 WeakPolarHBondContact O-CB 3.14Å; I48-S52 PolarHBondContact O-N 3.32Å; S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 WeakPolarHBondContact OG-CB 3.41Å; S52-F54 PolarHBondContact OG-N 2.89Å; S52-M55 PolarHBondContact O-N 3.45Å; S52-M55 VanDerWaalsContact O-N 3.11Å; S52-F56 WeakPolarHBondContact O-CD2 3.31Å; S52-F56 PolarHBondContact O-N 3.35Å; S52-F56 VanDerWaalsContact O-N 3.1Å; S52-E199 WeakPolarHBondContact CA-OE1 3.11Å; S52-E199 WeakPolarHBondContact CB-OE1 3.22Å; S52-E199 PolarHBondContact OG-OE1 3.06Å | ||
| 53 | P | 49.7 | Very low | 60.3 | Low | 57 Ų | 57 | 66.1 Ų | 66.1 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.1 | -25.4 | 170 | -24.1 | 35.6 | 0 | 0 | 0 | 113 | Y51 F56 R57 T198 | Y51-P53 WeakPolarHBondContact O-CD 3.18Å; P53-F56 PolarHBondContact O-N 2.83Å; P53-R57 PolarHBondContact O-N 3.12Å; P53-T198 WeakPolarHBondContact CD-OG1 3.43Å; P53-T198 HydrophobicContact CG-CG2 4.3Å; P53-T198 WeakPolarHBondContact CG-OG1 2.96Å |
| 54 | F | 52.5 | Low | 58.7 | Low | 91 Ų | 91 | 71.2 Ų | 71.2 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.1 | -70.3 | -86.1 | 0 | 0 | 0 | 111.5 | S52 G195 T196 E199 | S52-F54 PolarHBondContact O-N 3.44Å; S52-F54 WeakPolarHBondContact OG-CB 3.41Å; S52-F54 PolarHBondContact OG-N 2.89Å; F54-G195 WeakPolarHBondContact CE2-O 3.44Å; F54-G195 WeakPolarHBondContact CZ-O 2.93Å; F54-T196 HydrophobicContact CD2-CG2 4.44Å; F54-T196 HydrophobicContact CE1-CG2 3.89Å; F54-T196 HydrophobicContact CE2-CG2 3.38Å; F54-T196 HydrophobicContact CZ-CG2 3.06Å; F54-E199 HydrophobicContact CD2-CG 4.41Å; F54-E199 HydrophobicContact CE2-CG 4.46Å |
| 55 | M | 53.2 | Low | 57.1 | Low | 16 Ų | 16 | 73.6 Ų | 73.6 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.1 | -40.2 | 174.8 | -91.5 | -153.9 | -97.2 | 0 | 0 | 112.6 | G46 D47 I48 M49 S52 R57 R58 L59 Y138 | G46-M55 WeakPolarHBondContact O-CE 3.48Å; D47-M55 WeakPolarHBondContact O-CE 3.37Å; I48-M55 VanDerWaalsContact N-CE 3.33Å; I48-M55 WeakPolarHBondContact O-CE 3.12Å; M49-M55 HydrophobicContact CB-CE 4.16Å; M49-M55 HydrophobicContact CB-SD 4.02Å; S52-M55 PolarHBondContact O-N 3.45Å; S52-M55 VanDerWaalsContact O-N 3.11Å; M55-R57 PolarHBondContact O-N 3.49Å; M55-R57 VanDerWaalsContact O-N 3.17Å; M55-R58 WeakPolarHBondContact O-CA 3.47Å; M55-R58 PolarHBondContact O-N 3.21Å; M55-L59 HydrophobicContact CB-CD1 3.99Å; M55-L59 WeakPolarHBondContact O-CB 3.38Å; M55-L59 WeakPolarHBondContact O-CD1 2.71Å; M55-L59 WeakPolarHBondContact O-CG 3.32Å; M55-L59 PolarHBondContact O-N 2.96Å; M55-Y138 HydrophobicContact CE-CD1 4.44Å; M55-Y138 HydrophobicContact CE-CG 3.99Å; M55-Y138 HydrophobicContact SD-CD1 3.55Å; M55-Y138 VanDerWaalsContact SD-CD1 3.55Å; M55-Y138 HydrophobicContact SD-CD2 4.18Å; M55-Y138 HydrophobicContact SD-CE1 4.22Å; M55-Y138 HydrophobicContact SD-CG 3.53Å; M55-Y138 VanDerWaalsContact SD-CG 3.53Å |
| 56 | F | 44.5 | Very low | 55.4 | Low | 84 Ų | 84 | 74.9 Ų | 74.9 | 37% | 0.368 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.9 | -36.1 | 178 | -87.5 | -69.2 | 0 | 0 | 0 | 113.6 | G50 S52 P53 R58 L59 S70 | G50-F56 VanDerWaalsContact CA-CZ 3.48Å; G50-F56 WeakPolarHBondContact O-CE2 3.31Å; G50-F56 WeakPolarHBondContact O-CZ 3.43Å; S52-F56 WeakPolarHBondContact O-CD2 3.31Å; S52-F56 PolarHBondContact O-N 3.35Å; S52-F56 VanDerWaalsContact O-N 3.1Å; P53-F56 PolarHBondContact O-N 2.83Å; F56-R58 VanDerWaalsContact C-N 3.28Å; F56-R58 PolarHBondContact O-N 3.06Å; F56-L59 PolarHBondContact O-N 2.73Å; F56-S70 WeakPolarHBondContact CZ-OG 3.4Å |
| 57 | R | 44.2 | Very low | 53.3 | Low | 226 Ų | 226 | 85.1 Ų | 85.1 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.6 | -23.2 | 178.1 | -166.7 | 172.5 | 164 | -179.5 | -5.2 | 113.1 | P53 M55 | P53-R57 PolarHBondContact O-N 3.12Å; M55-R57 PolarHBondContact O-N 3.49Å; M55-R57 VanDerWaalsContact O-N 3.17Å |
| 58 | R | 47.2 | Very low | 51.2 | Low | 159 Ų | 159 | 87.2 Ų | 87.2 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -87.7 | -27.3 | 175.8 | -75.3 | 170.3 | 165 | -147.3 | 7.1 | 112.6 | M55 F56 N60 D135 | M55-R58 WeakPolarHBondContact O-CA 3.47Å; M55-R58 PolarHBondContact O-N 3.21Å; F56-R58 VanDerWaalsContact C-N 3.28Å; F56-R58 PolarHBondContact O-N 3.06Å; R58-N60 PolarHBondContact O-N 3Å; R58-D135 VanDerWaalsContact CD-OD2 3.25Å; R58-D135 WeakPolarHBondContact CD-OD2 3.43Å; R58-D135 IonicContact CZ-OD1 3.46Å; R58-D135 IonicContact CZ-OD2 2.89Å; R58-D135 IonicContact NE-OD2 3.81Å; R58-D135 IonicContact NH1-OD1 2.89Å; R58-D135 PolarHBondContact NH1-OD1 3.48Å; R58-D135 IonicContact NH1-OD2 2.76Å; R58-D135 PolarHBondContact NH1-OD2 2.88Å |
| 59 | L | 47.2 | Very low | 49.3 | Very low | 17 Ų | 17 | 86.9 Ų | 86.9 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | trans | -83.7 | 4.5 | -171.6 | -70.7 | 167.7 | 0 | 0 | 0 | 116.9 | M49 M55 F56 K61 S62 I65 | M49-L59 HydrophobicContact CE-CD1 3.95Å; M49-L59 HydrophobicContact CE-CD2 3.64Å; M49-L59 HydrophobicContact CE-CG 4.45Å; M49-L59 HydrophobicContact CG-CD1 3.98Å; M55-L59 HydrophobicContact CB-CD1 3.99Å; M55-L59 WeakPolarHBondContact O-CB 3.38Å; M55-L59 WeakPolarHBondContact O-CD1 2.71Å; M55-L59 WeakPolarHBondContact O-CG 3.32Å; M55-L59 PolarHBondContact O-N 2.96Å; F56-L59 PolarHBondContact O-N 2.73Å; L59-K61 PolarHBondContact O-N 2.94Å; L59-S62 PolarHBondContact O-N 2.89Å; L59-I65 HydrophobicContact CB-CD1 4.36Å; L59-I65 HydrophobicContact CD1-CD1 4.03Å | ||
| 60 | N | 42.6 | Very low | 47.6 | Very low | 159 Ų | 159 | 89.1 Ų | 89.1 | 85% | 0.85 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 4.3 | 168.7 | -85.2 | -13 | 0 | 0 | 0 | 114.1 | R58 | R58-N60 PolarHBondContact O-N 3Š|
| 61 | K | 44.4 | Very low | 46.6 | Very low | 202 Ų | 202 | 99.3 Ų | 99.3 | 88% | 0.878 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -10.5 | 172.4 | -74.8 | -176.2 | 175.4 | -179.2 | 0 | 115.2 | L59 | L59-K61 PolarHBondContact O-N 2.94Š|
| 62 | S | 42.4 | Very low | 45.5 | Very low | 58 Ų | 58 | 98.2 Ų | 98.2 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | trans | -107.3 | 101.6 | -178.7 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | L59 N64 | L59-S62 PolarHBondContact O-N 2.89Å; S62-N64 PolarHBondContact O-N 3.18Å; S62-N64 VanDerWaalsContact O-N 3.17Å | ||
| 63 | E | 48.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 98.2 Ų | 98.2 | 89% | 0.893 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 3.8 | -173.9 | -82.4 | -173.8 | 153.8 | 0 | 0 | 115.5 | ||
| 64 | N | 52.2 | Low | 45.1 | Very low | 142 Ų | 142 | 97.3 Ų | 97.3 | 76% | 0.759 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | 25.3 | -167.1 | -70.8 | -46.2 | 0 | 0 | 0 | 116.2 | S62 P66 | S62-N64 PolarHBondContact O-N 3.18Å; S62-N64 VanDerWaalsContact O-N 3.17Å; N64-P66 WeakPolarHBondContact O-CD 3.43Å |
| 65 | I | 47.5 | Very low | 45.3 | Very low | 51 Ų | 51 | 100.3 Ų | 100.3 | 26% | 0.262 | 47% | 0.474 | S | S | . | . | trans | -72.2 | 121.7 | 173.1 | -56.8 | 177.2 | 0 | 0 | 0 | 109.1 | L59 K67 A69 M140 | L59-I65 HydrophobicContact CB-CD1 4.36Å; L59-I65 HydrophobicContact CD1-CD1 4.03Å; I65-K67 PolarHBondContact O-N 2.78Å; I65-A69 HydrophobicContact CG2-CB 3.81Å; I65-M140 HydrophobicContact CG2-CE 4.1Å | ||
| 66 | P | 45.4 | Very low | 45.8 | Very low | 45 Ų | 45 | 100.3 Ų | 100.3 | 29% | 0.292 | 48% | 0.478 | S | S | . | . | trans | -54.7 | 130 | 177.4 | -24.2 | 33.3 | 0 | 0 | 0 | 110.8 | N64 G68 A69 | N64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-G68 PolarHBondContact O-N 2.8Å; P66-A69 WeakPolarHBondContact O-CB 3.36Å; P66-A69 PolarHBondContact O-N 3.47Å | ||
| 67 | K | 39.3 | Very low | 47 | Very low | 224 Ų | 224 | 102.2 Ų | 102.2 | 97% | 0.974 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 83.1 | 176 | -71.6 | -176.8 | -180 | 177.8 | 0 | 109.6 | I65 | I65-K67 PolarHBondContact O-N 2.78Š|
| 68 | G | 42 | Very low | 48.2 | Very low | 45 Ų | 45 | 96.5 Ų | 96.5 | 46% | 0.464 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 157.8 | -22 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P66 S70 R71 | P66-G68 PolarHBondContact O-N 2.8Å; G68-S70 PolarHBondContact O-N 3.21Å; G68-R71 PolarHBondContact O-N 2.68Å |
| 69 | A | 40.9 | Very low | 49.9 | Very low | 2 Ų | 2 | 91.4 Ų | 91.4 | 2% | 0.017 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y51 I65 P66 M140 M144 | Y51-A69 WeakPolarHBondContact CE2-O 3.48Å; I65-A69 HydrophobicContact CG2-CB 3.81Å; P66-A69 WeakPolarHBondContact O-CB 3.36Å; P66-A69 PolarHBondContact O-N 3.47Å; A69-M140 HydrophobicContact CB-CE 4.11Å; A69-M140 HydrophobicContact CB-SD 4.13Å; A69-M144 VanDerWaalsContact CA-CE 3.45Å; A69-M144 HydrophobicContact CB-CB 4.47Å; A69-M144 HydrophobicContact CB-CE 4.25Å |
| 70 | S | 41.1 | Very low | 51.9 | Low | 48 Ų | 48 | 93.8 Ų | 93.8 | 34% | 0.336 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.1 | -174.9 | 176.6 | 0 | 0 | 0 | 0 | 114.7 | G50 Y51 F56 G68 | G50-S70 VanDerWaalsContact O-CA 3.25Å; G50-S70 WeakPolarHBondContact O-CA 3.34Å; G50-S70 VanDerWaalsContact O-CB 3.25Å; G50-S70 WeakPolarHBondContact O-CB 3.4Å; G50-S70 PolarHBondContact O-OG 3.06Å; Y51-S70 WeakPolarHBondContact CE1-O 3.26Å; F56-S70 WeakPolarHBondContact CZ-OG 3.4Å; G68-S70 PolarHBondContact O-N 3.21Å |
| 71 | R | 40.9 | Very low | 54.4 | Low | 215 Ų | 215 | 86.4 Ų | 86.4 | 81% | 0.811 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -129 | 10.6 | -164.1 | -68.4 | -171.9 | 174.4 | -174.8 | -2.6 | 116.1 | G68 | G68-R71 PolarHBondContact O-N 2.68Š|
| 72 | S | 35.9 | Very low | 56.6 | Low | 28 Ų | 28 | 80.4 Ų | 80.4 | 20% | 0.196 | 41% | 0.405 | C | S | . | . | trans | -144.1 | 85.5 | -179.6 | -51.1 | 0 | 0 | 0 | 0 | 114 | Y51 Y79 | Y51-S72 WeakPolarHBondContact OH-CA 3.32Å; Y51-S72 PolarHBondContact OH-N 3.28Å; S72-Y79 WeakPolarHBondContact CB-OH 3.39Å; S72-Y79 PolarHBondContact OG-OH 3.11Å | ||
| 73 | A | 39.8 | Very low | 58.9 | Low | 2 Ų | 2 | 84.3 Ų | 84.3 | 2% | 0.017 | 42% | 0.422 | C | S | . | . | trans | -107 | 69.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y51 I141 I173 Y203 | Y51-A73 HydrophobicContact CE1-CB 3.96Å; Y51-A73 HydrophobicContact CE2-CB 4.28Å; Y51-A73 WeakPolarHBondContact OH-CB 3.42Å; Y51-A73 PolarHBondContact OH-N 3.18Å; A73-I141 HydrophobicContact CB-CB 4.46Å; A73-I141 HydrophobicContact CB-CD1 3.62Å; A73-I173 HydrophobicContact CB-CG2 4.36Å; A73-Y203 HydrophobicContact CB-CD1 4.15Å; A73-Y203 HydrophobicContact CB-CE1 3.56Å | ||
| 74 | V | 55.9 | Low | 61 | Low | 38 Ų | 38 | 75.3 Ų | 75.3 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -149.3 | 146.4 | -147.6 | 173.2 | 0 | 0 | 0 | 0 | 117.5 | G76 Y79 S206 E207 | V74-G76 PolarHBondContact O-N 3.17Å; V74-Y79 VanDerWaalsContact O-CD2 3.23Å; V74-Y79 WeakPolarHBondContact O-CD2 3.07Å; V74-S206 WeakPolarHBondContact CG1-O 3.37Å; V74-E207 CarbonylContact C-O 3.57Å; V74-E207 WeakPolarHBondContact CA-O 3.41Å; V74-E207 HydrophobicContact CB-CB 4.46Å; V74-E207 VanDerWaalsContact CB-O 3.24Å; V74-E207 WeakPolarHBondContact CB-O 3.32Å; V74-E207 WeakPolarHBondContact CG1-O 3.41Å; V74-E207 HydrophobicContact CG2-CB 3.46Å; V74-E207 VanDerWaalsContact CG2-CB 3.46Å; V74-E207 HydrophobicContact CG2-CG 3.48Å; V74-E207 VanDerWaalsContact CG2-CG 3.48Å |
| 75 | R | 57.3 | Low | 63 | Low | 155 Ų | 155 | 70.8 Ų | 70.8 | 59% | 0.585 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -13.9 | -24.9 | 161 | -168 | 175.8 | 172.2 | 171.7 | -2.4 | 119.4 | E207 D209 | R75-E207 PolarHBondContact N-O 2.69Å; R75-D209 HydrophobicContact CG-CB 4.2Å |
| 76 | G | 63.8 | Low | 65.4 | Low | 16 Ų | 16 | 68.4 Ų | 68.4 | 17% | 0.165 | 34% | 0.342 | C | S | . | . | trans | -60.3 | 136.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V74 E78 Y79 | V74-G76 PolarHBondContact O-N 3.17Å; G76-E78 WeakPolarHBondContact CA-OE2 3.46Å; G76-E78 PolarHBondContact O-N 2.97Å; G76-Y79 PolarHBondContact O-N 3.19Å | ||
| 77 | L | 69.1 | Low | 67.9 | Low | 124 Ų | 124 | 66.5 Ų | 66.5 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -62.8 | -26.7 | 175.8 | -68.8 | 173.4 | 0 | 0 | 0 | 111.4 | Y79 R80 | L77-Y79 PolarHBondContact O-N 3.09Å; L77-R80 WeakPolarHBondContact O-CB 3.17Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.12Å |
| 78 | E | 70.2 | Confident | 70.7 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -64.5 | -24.8 | 177.9 | 68.1 | -84.1 | -159.8 | 0 | 0 | 113.4 | G76 R80 R143 | G76-E78 WeakPolarHBondContact CA-OE2 3.46Å; G76-E78 PolarHBondContact O-N 2.97Å; E78-R80 VanDerWaalsContact C-N 3.32Å; E78-R143 VanDerWaalsContact O-CZ 3.32Å; E78-R143 PolarHBondContact O-NH2 3.47Å |
| 79 | Y | 82.7 | Confident | 73.3 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -88.1 | -3.3 | 176.5 | -56.3 | -71.9 | 0 | 0 | 0 | 112.8 | S72 V74 G76 L77 G142 R143 M144 | S72-Y79 WeakPolarHBondContact CB-OH 3.39Å; S72-Y79 PolarHBondContact OG-OH 3.11Å; V74-Y79 VanDerWaalsContact O-CD2 3.23Å; V74-Y79 WeakPolarHBondContact O-CD2 3.07Å; G76-Y79 PolarHBondContact O-N 3.19Å; L77-Y79 PolarHBondContact O-N 3.09Å; Y79-G142 WeakPolarHBondContact O-CA 3.36Å; Y79-R143 PolarHBondContact O-N 2.85Å; Y79-M144 HydrophobicContact CD1-CE 4.35Å; Y79-M144 HydrophobicContact CD1-SD 4.01Å; Y79-M144 HydrophobicContact CE1-CE 4.28Å |
| 80 | R | 89.2 | Confident | 76 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 25% | 0.253 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -82.7 | 148.8 | 172.5 | -57.3 | -174.7 | -169.1 | 173.8 | 7.3 | 109.6 | L77 E78 R143 L264 Y265 | L77-R80 WeakPolarHBondContact O-CB 3.17Å; L77-R80 PolarHBondContact O-N 3.43Å; L77-R80 VanDerWaalsContact O-N 3.12Å; E78-R80 VanDerWaalsContact C-N 3.32Å; R80-R143 PolarHBondContact O-NE 3.33Å; R80-L264 VanDerWaalsContact CZ-O 3.29Å; R80-L264 PolarHBondContact NH1-O 3.27Å; R80-Y265 HydrophobicContact CB-CE1 4.15Å |
| 81 | W | 93.6 | Very high | 78.6 | Confident | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 127.5 | 167.6 | -67.3 | 94.1 | 0 | 0 | 0 | 109.3 | D83 G84 E85 I86 D127 V129 R143 A169 Y265 | W81-D83 PolarHBondContact O-N 3.44Å; W81-G84 PolarHBondContact O-N 3.42Å; W81-G84 VanDerWaalsContact O-N 3.14Å; W81-E85 WeakPolarHBondContact CB-O 3.37Å; W81-I86 HydrophobicContact CB-CG1 3.98Å; W81-I86 HydrophobicContact CD2-CB 4.34Å; W81-I86 HydrophobicContact CD2-CG1 3.99Å; W81-I86 HydrophobicContact CD2-CG2 4.09Å; W81-I86 HydrophobicContact CE3-CG2 4.4Å; W81-I86 HydrophobicContact CG-CB 4.47Å; W81-I86 HydrophobicContact CG-CD1 4.13Å; W81-I86 HydrophobicContact CG-CG1 3.63Å; W81-I86 HydrophobicContact CH2-CG2 4.44Å; W81-I86 HydrophobicContact CZ2-CG2 4.11Å; W81-D127 HydrophobicContact CH2-CB 4.39Å; W81-D127 HydrophobicContact CZ3-CB 3.93Å; W81-V129 HydrophobicContact CH2-CG2 4.05Å; W81-V129 HydrophobicContact CZ2-CG2 3.73Å; W81-R143 HydrophobicContact CD2-CB 3.84Å; W81-R143 HydrophobicContact CD2-CG 4.03Å; W81-R143 HydrophobicContact CE3-CB 4.25Å; W81-R143 HydrophobicContact CE3-CG 3.91Å; W81-R143 HydrophobicContact CG-CB 4.18Å; W81-R143 HydrophobicContact CH2-CB 4.47Å; W81-R143 HydrophobicContact CH2-CG 4.05Å; W81-R143 HydrophobicContact CZ2-CB 4.1Å; W81-R143 HydrophobicContact CZ2-CG 4.19Å; W81-R143 HydrophobicContact CZ3-CG 3.91Å; W81-A169 PolarHBondContact NE1-O 2.8Å; W81-Y265 HydrophobicContact CB-CE1 4.19Å; W81-Y265 PolarHBondContact N-OH 3.24Å; W81-Y265 WeakPolarHBondContact O-CE1 3.31Å |
| 82 | P | 91.6 | Very high | 81.1 | Confident | 76 Ų | 76 | 47 Ų | 47 | 49% | 0.494 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -52.5 | 132.3 | 176.5 | -27 | 35.7 | 0 | 0 | 0 | 110.9 | G84 E85 | P82-G84 PolarHBondContact O-N 2.92Å; P82-E85 PolarHBondContact O-N 3.49Å |
| 83 | D | 89.6 | Confident | 83.9 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | 56.6 | 15.5 | 179.1 | -50.4 | -44.5 | 0 | 0 | 0 | 115.7 | W81 E85 | W81-D83 PolarHBondContact O-N 3.44Å; D83-E85 PolarHBondContact O-N 2.83Å |
| 84 | G | 92.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | 68.1 | 13.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W81 P82 I115 R116 Y265 | W81-G84 PolarHBondContact O-N 3.42Å; W81-G84 VanDerWaalsContact O-N 3.14Å; P82-G84 PolarHBondContact O-N 2.92Å; G84-I115 WeakPolarHBondContact O-CA 3.46Å; G84-R116 PolarHBondContact O-N 3.21Å; G84-Y265 VanDerWaalsContact CA-CD1 3.41Å |
| 85 | E | 95.3 | Very high | 88.4 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.8 | 178.1 | -169.9 | 174.6 | 133.9 | 0 | 0 | 109.9 | W81 P82 D83 P87 R116 V118 R124 H125 | W81-E85 WeakPolarHBondContact CB-O 3.37Å; P82-E85 PolarHBondContact O-N 3.49Å; D83-E85 PolarHBondContact O-N 2.83Å; E85-P87 VanDerWaalsContact O-CD 3.31Å; E85-P87 WeakPolarHBondContact O-CD 3.34Å; E85-R116 WeakPolarHBondContact CA-O 3.44Å; E85-V118 HydrophobicContact CG-CB 4.18Å; E85-V118 HydrophobicContact CG-CG1 3.63Å; E85-V118 HydrophobicContact CG-CG2 3.47Å; E85-V118 VanDerWaalsContact CG-CG2 3.47Å; E85-V118 WeakPolarHBondContact OE1-CG2 3.31Å; E85-R124 IonicContact OE1-CZ 3.1Å; E85-R124 IonicContact OE1-NH1 2.67Å; E85-R124 PolarHBondContact OE1-NH1 3.18Å; E85-R124 IonicContact OE1-NH2 2.73Å; E85-R124 PolarHBondContact OE1-NH2 3.45Å; E85-R124 IonicContact OE2-NH1 3.39Å; E85-R124 PolarHBondContact OE2-NH1 3Å; E85-H125 IonicContact OE1-CE1 3.38Å; E85-H125 PolarHBondContact OE1-CE1 3.19Å; E85-H125 IonicContact OE1-NE2 3.06Å; E85-H125 PolarHBondContact OE1-NE2 3.08Å |
| 86 | I | 97.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 97.3 | -179.1 | -51.5 | -173.8 | 0 | 0 | 0 | 108.7 | W81 I115 R116 F117 V118 V129 V170 | W81-I86 HydrophobicContact CB-CG1 3.98Å; W81-I86 HydrophobicContact CD2-CB 4.34Å; W81-I86 HydrophobicContact CD2-CG1 3.99Å; W81-I86 HydrophobicContact CD2-CG2 4.09Å; W81-I86 HydrophobicContact CE3-CG2 4.4Å; W81-I86 HydrophobicContact CG-CB 4.47Å; W81-I86 HydrophobicContact CG-CD1 4.13Å; W81-I86 HydrophobicContact CG-CG1 3.63Å; W81-I86 HydrophobicContact CH2-CG2 4.44Å; W81-I86 HydrophobicContact CZ2-CG2 4.11Å; I86-I115 HydrophobicContact CD1-CG2 3.81Å; I86-I115 HydrophobicContact CG1-CG2 4.24Å; I86-R116 PolarHBondContact N-O 3.37Å; I86-F117 HydrophobicContact CB-CD1 3.85Å; I86-F117 HydrophobicContact CB-CE1 3.94Å; I86-F117 HydrophobicContact CD1-CE1 3.89Å; I86-F117 HydrophobicContact CD1-CZ 4.07Å; I86-F117 HydrophobicContact CG1-CE1 4.43Å; I86-F117 HydrophobicContact CG2-CD1 3.98Å; I86-F117 HydrophobicContact CG2-CE1 3.85Å; I86-F117 WeakPolarHBondContact O-CA 3.44Å; I86-V118 PolarHBondContact O-N 3.23Å; I86-V129 HydrophobicContact CG2-CG2 3.77Å; I86-V170 HydrophobicContact CD1-CG2 3.62Å |
| 87 | P | 97.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135.7 | 172.4 | -24.6 | 37 | 0 | 0 | 0 | 111.2 | E85 V118 R120 H125 Y128 V129 | E85-P87 VanDerWaalsContact O-CD 3.31Å; E85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-V118 WeakPolarHBondContact CA-O 3.23Å; P87-V118 HydrophobicContact CB-CG2 4.26Å; P87-V118 HydrophobicContact CG-CG2 4.14Å; P87-R120 HydrophobicContact CB-CB 4.43Å; P87-R120 HydrophobicContact CB-CG 4.42Å; P87-H125 HydrophobicContact CB-CB 3.74Å; P87-H125 WeakPolarHBondContact CB-ND1 3.41Å; P87-H125 HydrophobicContact CG-CB 3.76Å; P87-H125 VanDerWaalsContact CG-CD2 3.44Å; P87-H125 WeakPolarHBondContact CG-CD2 3.48Å; P87-H125 WeakPolarHBondContact CG-ND1 3.42Å; P87-Y128 CarbonylContact O-C 3.51Å; P87-Y128 VanDerWaalsContact O-CA 3.27Å; P87-Y128 WeakPolarHBondContact O-CA 3.37Å; P87-Y128 WeakPolarHBondContact O-CB 3.1Å; P87-V129 PolarHBondContact O-N 3.01Å |
| 88 | Y | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 159.8 | 177.3 | 77.2 | -88.1 | 0 | 0 | 0 | 112.9 | L10 L90 M106 F117 V118 R120 V129 H303 | L10-Y88 VanDerWaalsContact CB-OH 3.26Å; L10-Y88 WeakPolarHBondContact CB-OH 3.38Å; L10-Y88 HydrophobicContact CD1-CE2 4.31Å; L10-Y88 WeakPolarHBondContact CD1-OH 3.12Å; L10-Y88 HydrophobicContact CG-CE2 4.13Å; L10-Y88 WeakPolarHBondContact CG-OH 3.11Å; L10-Y88 PolarHBondContact N-OH 3.05Å; Y88-L90 HydrophobicContact CD2-CD1 3.4Å; Y88-L90 HydrophobicContact CE2-CD1 3.16Å; Y88-M106 HydrophobicContact CD1-CE 4Å; Y88-M106 HydrophobicContact CD1-SD 4.18Å; Y88-M106 HydrophobicContact CD2-CE 3.87Å; Y88-M106 HydrophobicContact CE1-CE 4.23Å; Y88-M106 HydrophobicContact CE1-SD 3.85Å; Y88-M106 HydrophobicContact CE2-CE 4.14Å; Y88-M106 HydrophobicContact CE2-SD 4.25Å; Y88-M106 HydrophobicContact CG-CE 3.81Å; Y88-M106 HydrophobicContact CG-SD 4.5Å; Y88-F117 HydrophobicContact CD1-CB 3.84Å; Y88-F117 HydrophobicContact CD1-CD1 4.46Å; Y88-F117 HydrophobicContact CE1-CB 3.85Å; Y88-V118 WeakPolarHBondContact CD1-O 3.18Å; Y88-V118 WeakPolarHBondContact CE1-O 3.36Å; Y88-V118 PolarHBondContact N-O 3.41Å; Y88-R120 WeakPolarHBondContact O-CB 3.43Å; Y88-R120 PolarHBondContact O-N 3.28Å; Y88-R120 VanDerWaalsContact O-N 3.07Å; Y88-V129 CarbonylContact C-O 3.55Å; Y88-V129 WeakPolarHBondContact CA-O 3.48Å; Y88-H303 AromaticContact CE1-NE2 3.67Å; Y88-H303 AromaticContact CZ-CE1 3.91Å; Y88-H303 AromaticContact CZ-NE2 3.59Å; Y88-H303 PolarHBondContact OH-CE1 2.84Å; Y88-H303 PolarHBondContact OH-NE2 2.89Å |
| 89 | V | 97.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.5 | 164.9 | -63.9 | 0 | 0 | 0 | 0 | 109.3 | M7 E8 T9 R120 Y128 V129 Y130 V131 | M7-V89 HydrophobicContact CB-CB 4.09Å; M7-V89 HydrophobicContact CB-CG2 4.22Å; M7-V89 HydrophobicContact CG-CB 4.43Å; M7-V89 HydrophobicContact CG-CG2 4.01Å; M7-V89 HydrophobicContact SD-CB 4.29Å; M7-V89 HydrophobicContact SD-CG2 3.47Å; M7-V89 WeakPolarHBondContact SD-CG2 3.32Å; E8-V89 CarbonylContact O-C 3.24Å; E8-V89 WeakPolarHBondContact O-CA 3.18Å; T9-V89 HydrophobicContact CG2-CG1 4.42Å; V89-R120 HydrophobicContact CG1-CB 3.54Å; V89-R120 HydrophobicContact CG1-CG 4.4Å; V89-Y128 HydrophobicContact CG2-CD2 3.79Å; V89-Y128 HydrophobicContact CG2-CE2 3.6Å; V89-V129 PolarHBondContact N-O 2.93Å; V89-Y130 HydrophobicContact CG2-CD2 3.67Å; V89-Y130 HydrophobicContact CG2-CE2 4.48Å; V89-Y130 HydrophobicContact CG2-CG 4.34Å; V89-V131 PolarHBondContact O-N 2.74Å |
| 90 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.4 | 178.3 | -80.6 | 82.6 | 0 | 0 | 0 | 110 | M7 E8 L10 Y88 Y94 R99 I102 V131 | M7-L90 CarbonylContact C-O 3.59Å; M7-L90 WeakPolarHBondContact CA-O 2.76Å; E8-L90 PolarHBondContact N-O 3.13Å; E8-L90 PolarHBondContact O-N 3.43Å; L10-L90 HydrophobicContact CD2-CD1 4.34Å; L10-L90 HydrophobicContact CD2-CD2 3.81Å; L10-L90 HydrophobicContact CG-CD1 4.03Å; L10-L90 HydrophobicContact CG-CD2 4.37Å; Y88-L90 HydrophobicContact CD2-CD1 3.4Å; Y88-L90 HydrophobicContact CE2-CD1 3.16Å; L90-Y94 HydrophobicContact CB-CD2 4.14Å; L90-Y94 HydrophobicContact CD2-CD2 3.92Å; L90-Y94 HydrophobicContact CD2-CE2 4.45Å; L90-Y94 HydrophobicContact CG-CD2 4.27Å; L90-Y94 HydrophobicContact CG-CE2 4.5Å; L90-R99 HydrophobicContact CD2-CG 4.27Å; L90-I102 HydrophobicContact CD2-CD1 3.81Å; L90-I102 HydrophobicContact CD2-CG2 4.46Å; L90-V131 CarbonylContact C-O 3.16Å; L90-V131 WeakPolarHBondContact CA-O 3.39Å; L90-V131 HydrophobicContact CG-CB 4.27Å |
| 91 | S | 95.9 | Very high | 95 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.1 | 163.1 | -170.4 | 0 | 0 | 0 | 0 | 110.9 | T93 Y94 V131 | S91-T93 PolarHBondContact O-N 2.62Å; S91-T93 VanDerWaalsContact O-N 3.13Å; S91-T93 PolarHBondContact OG-OG1 3.24Å; S91-Y94 WeakPolarHBondContact O-CD2 3.39Å; S91-Y94 PolarHBondContact O-N 2.73Å; S91-V131 PolarHBondContact N-O 2.63Å |
| 92 | K | 94.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 45% | 0.452 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -9.9 | 173.4 | -79.5 | -176.4 | -178.6 | -179.7 | 0 | 114.7 | G5 E6 E8 Y94 | G5-K92 WeakPolarHBondContact O-CE 3.44Å; G5-K92 PolarHBondContact O-NZ 3.02Å; E6-K92 WeakPolarHBondContact O-CG 3.37Å; E6-K92 PolarHBondContact O-N 3.34Å; E8-K92 HydrophobicContact CB-CG 4.5Å; E8-K92 HydrophobicContact CG-CD 4.25Å; E8-K92 HydrophobicContact CG-CG 3.65Å; E8-K92 WeakPolarHBondContact OE1-CE 3.36Å; K92-Y94 VanDerWaalsContact C-N 3.3Å |
| 93 | T | 94 | Very high | 95.5 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | S91 P133 | S91-T93 PolarHBondContact O-N 2.62Å; S91-T93 VanDerWaalsContact O-N 3.13Å; S91-T93 PolarHBondContact OG-OG1 3.24Å; T93-P133 WeakPolarHBondContact OG1-CD 3.33Å; T93-P133 VanDerWaalsContact OG1-CG 3.22Å; T93-P133 WeakPolarHBondContact OG1-CG 3.17Å |
| 94 | Y | 95.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 6% | 0.059 | 19% | 0.188 | C | C | . | . | trans | -70.6 | 130.2 | 176.9 | -71.5 | -54.6 | 0 | 0 | 0 | 112.5 | L90 S91 K92 D98 I102 V131 E132 P133 L152 M157 | L90-Y94 HydrophobicContact CB-CD2 4.14Å; L90-Y94 HydrophobicContact CD2-CD2 3.92Å; L90-Y94 HydrophobicContact CD2-CE2 4.45Å; L90-Y94 HydrophobicContact CG-CD2 4.27Å; L90-Y94 HydrophobicContact CG-CE2 4.5Å; S91-Y94 WeakPolarHBondContact O-CD2 3.39Å; S91-Y94 PolarHBondContact O-N 2.73Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; Y94-D98 HydrophobicContact CD1-CB 3.9Å; Y94-D98 HydrophobicContact CG-CB 4.36Å; Y94-I102 HydrophobicContact CD2-CD1 4.23Å; Y94-I102 HydrophobicContact CE1-CD1 4.5Å; Y94-I102 HydrophobicContact CE2-CD1 4.11Å; Y94-I102 HydrophobicContact CG-CD1 4.41Å; Y94-V131 HydrophobicContact CE2-CB 4.43Å; Y94-V131 HydrophobicContact CE2-CG1 3.86Å; Y94-V131 WeakPolarHBondContact CE2-O 3.44Å; Y94-E132 WeakPolarHBondContact OH-CA 3.27Å; Y94-E132 PolarHBondContact OH-N 3.03Å; Y94-E132 PolarHBondContact OH-O 3.4Å; Y94-E132 VanDerWaalsContact OH-O 3.11Å; Y94-P133 HydrophobicContact CE1-CB 4.11Å; Y94-P133 HydrophobicContact CE1-CG 4.22Å; Y94-L152 WeakPolarHBondContact CE1-O 3.4Å; Y94-L152 PolarHBondContact OH-O 3.36Å; Y94-M157 HydrophobicContact CD1-CE 3.66Å; Y94-M157 HydrophobicContact CE1-CE 3.14Å | ||
| 95 | Y | 93.6 | Very high | 96 | Very high | 181 Ų | 181 | 39.4 Ų | 39.4 | 71% | 0.71 | 19% | 0.188 | S | C | * | . | trans | -77.1 | 164.2 | 174.5 | -61.5 | -78.8 | 0 | 0 | 0 | 110.9 | K97 D98 R99 | Y95-K97 PolarHBondContact O-N 2.9Å; Y95-K97 VanDerWaalsContact O-N 3.11Å; Y95-D98 PolarHBondContact N-OD2 3.36Å; Y95-D98 VanDerWaalsContact N-OD2 3.11Å; Y95-D98 WeakPolarHBondContact O-CB 3.31Å; Y95-D98 PolarHBondContact O-N 3.06Å; Y95-R99 WeakPolarHBondContact O-CG 3.4Å; Y95-R99 PolarHBondContact O-N 2.91Å | ||
| 96 | S | 94 | Very high | 96.1 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 50% | 0.503 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -53.3 | -37.5 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 113.5 | Q100 | S96-Q100 VanDerWaalsContact O-CG 3.24Å; S96-Q100 WeakPolarHBondContact O-CG 3.43Å; S96-Q100 PolarHBondContact O-N 3.37Å; S96-Q100 PolarHBondContact O-NE2 2.71Å; S96-Q100 PolarHBondContact OG-NE2 2.93Å; S96-Q100 VanDerWaalsContact OG-NE2 3.08Å |
| 97 | K | 93.8 | Very high | 96 | Very high | 141 Ų | 141 | 38 Ų | 38 | 61% | 0.613 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -67.3 | -41.1 | 178.2 | -173.1 | 179.1 | 176.4 | -174 | 0 | 112.4 | Y95 Q100 L101 | Y95-K97 PolarHBondContact O-N 2.9Å; Y95-K97 VanDerWaalsContact O-N 3.11Å; K97-Q100 PolarHBondContact O-N 2.58Å; K97-L101 HydrophobicContact CG-CD1 4.48Å; K97-L101 PolarHBondContact O-N 2.74Å |
| 98 | D | 95.6 | Very high | 95.8 | Very high | 31 Ų | 31 | 39.4 Ų | 39.4 | 17% | 0.166 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.9 | -45.8 | 178.4 | -53 | -30.3 | 0 | 0 | 0 | 109.8 | Y94 Y95 Q100 L101 I102 M157 | Y94-D98 HydrophobicContact CD1-CB 3.9Å; Y94-D98 HydrophobicContact CG-CB 4.36Å; Y95-D98 PolarHBondContact N-OD2 3.36Å; Y95-D98 VanDerWaalsContact N-OD2 3.11Å; Y95-D98 WeakPolarHBondContact O-CB 3.31Å; Y95-D98 PolarHBondContact O-N 3.06Å; D98-Q100 VanDerWaalsContact C-N 3.35Å; D98-Q100 PolarHBondContact O-N 3.14Å; D98-L101 PolarHBondContact O-N 3.19Å; D98-L101 VanDerWaalsContact O-N 3.11Å; D98-I102 WeakPolarHBondContact O-CG1 3.39Å; D98-I102 PolarHBondContact O-N 3.02Å; D98-M157 HydrophobicContact CB-CE 4.1Å; D98-M157 HydrophobicContact CB-CG 4.3Å; D98-M157 HydrophobicContact CB-SD 3.73Å |
| 99 | R | 96.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 175.6 | -64 | 172.1 | 61 | 96.5 | 4 | 112.3 | E8 T9 L10 D14 L90 Y95 L101 I102 A103 | E8-R99 IonicContact OE2-CZ 3.64Å; E8-R99 IonicContact OE2-NH1 2.96Å; E8-R99 PolarHBondContact OE2-NH1 3.27Å; T9-R99 PolarHBondContact O-NH2 3.1Å; L10-R99 HydrophobicContact CD2-CB 3.83Å; L10-R99 HydrophobicContact CD2-CG 4.43Å; L10-R99 WeakPolarHBondContact CD2-O 3.37Å; D14-R99 WeakPolarHBondContact OD1-CB 3.44Å; D14-R99 IonicContact OD1-NE 3.99Å; D14-R99 PolarHBondContact OD1-NE 3.09Å; D14-R99 VanDerWaalsContact OD1-NE 3.13Å; D14-R99 IonicContact OD2-CZ 2.85Å; D14-R99 IonicContact OD2-NE 3.11Å; D14-R99 PolarHBondContact OD2-NE 3.03Å; D14-R99 IonicContact OD2-NH2 3.27Å; D14-R99 PolarHBondContact OD2-NH2 2.66Å; L90-R99 HydrophobicContact CD2-CG 4.27Å; Y95-R99 WeakPolarHBondContact O-CG 3.4Å; Y95-R99 PolarHBondContact O-N 2.91Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 3.4Å; R99-I102 PolarHBondContact O-N 3.38Å; R99-A103 VanDerWaalsContact O-CB 3.29Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.32Å |
| 100 | Q | 96.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 39 Ų | 39 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -36.1 | 175.6 | -70.6 | 170.5 | 46.1 | 0 | 0 | 112.4 | A18 L21 S96 K97 D98 R104 | A18-Q100 VanDerWaalsContact CB-O 3.23Å; A18-Q100 WeakPolarHBondContact CB-O 3.31Å; L21-Q100 HydrophobicContact CD1-CB 3.89Å; L21-Q100 HydrophobicContact CG-CB 4.45Å; S96-Q100 VanDerWaalsContact O-CG 3.24Å; S96-Q100 WeakPolarHBondContact O-CG 3.43Å; S96-Q100 PolarHBondContact O-N 3.37Å; S96-Q100 PolarHBondContact O-NE2 2.71Å; S96-Q100 PolarHBondContact OG-NE2 2.93Å; S96-Q100 VanDerWaalsContact OG-NE2 3.08Å; K97-Q100 PolarHBondContact O-N 2.58Å; D98-Q100 VanDerWaalsContact C-N 3.35Å; D98-Q100 PolarHBondContact O-N 3.14Å; Q100-R104 WeakPolarHBondContact O-CB 3.41Å; Q100-R104 PolarHBondContact O-N 3.21Å |
| 101 | L | 96.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.5 | -77.5 | 166.6 | 0 | 0 | 0 | 112.1 | L21 K97 D98 R99 R104 A105 M157 I162 | L21-L101 HydrophobicContact CD1-CD2 3.8Å; L21-L101 HydrophobicContact CD1-CG 3.96Å; K97-L101 HydrophobicContact CG-CD1 4.48Å; K97-L101 PolarHBondContact O-N 2.74Å; D98-L101 PolarHBondContact O-N 3.19Å; D98-L101 VanDerWaalsContact O-N 3.11Å; R99-L101 VanDerWaalsContact C-N 3.34Å; R99-L101 PolarHBondContact O-N 3.4Å; L101-R104 WeakPolarHBondContact O-CB 3.28Å; L101-R104 PolarHBondContact O-N 2.83Å; L101-A105 PolarHBondContact O-N 3.27Å; L101-M157 HydrophobicContact CD1-CB 4.18Å; L101-M157 WeakPolarHBondContact CD1-O 3.35Å; L101-I162 HydrophobicContact CB-CD1 3.87Å |
| 102 | I | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 173.4 | -64 | 165.1 | 0 | 0 | 0 | 110 | L10 L90 Y94 D98 R99 R104 A105 M106 V131 L152 M157 I162 | L10-I102 HydrophobicContact CD1-CG2 4.26Å; L90-I102 HydrophobicContact CD2-CD1 3.81Å; L90-I102 HydrophobicContact CD2-CG2 4.46Å; Y94-I102 HydrophobicContact CD2-CD1 4.23Å; Y94-I102 HydrophobicContact CE1-CD1 4.5Å; Y94-I102 HydrophobicContact CE2-CD1 4.11Å; Y94-I102 HydrophobicContact CG-CD1 4.41Å; D98-I102 WeakPolarHBondContact O-CG1 3.39Å; D98-I102 PolarHBondContact O-N 3.02Å; R99-I102 PolarHBondContact O-N 3.38Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 2.7Å; I102-A105 PolarHBondContact O-N 2.92Å; I102-M106 HydrophobicContact CG2-CE 3.8Å; I102-M106 HydrophobicContact CG2-CG 4.48Å; I102-M106 HydrophobicContact CG2-SD 4.14Å; I102-M106 WeakPolarHBondContact O-CG 3.49Å; I102-M106 PolarHBondContact O-N 3.47Å; I102-V131 HydrophobicContact CD1-CG1 4.13Å; I102-L152 HydrophobicContact CD1-CD1 4.26Å; I102-L152 HydrophobicContact CG1-CD1 4.09Å; I102-M157 HydrophobicContact CD1-CE 4.42Å; I102-I162 HydrophobicContact CG1-CD1 4.19Å |
| 103 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 D14 F15 A18 R99 A105 M106 D107 | L10-A103 HydrophobicContact CD1-CB 3.74Å; L10-A103 HydrophobicContact CD2-CB 4.35Å; D14-A103 HydrophobicContact CB-CB 4.25Å; F15-A103 HydrophobicContact CD1-CB 3.93Å; F15-A103 HydrophobicContact CD2-CB 4.46Å; F15-A103 HydrophobicContact CE1-CB 4.08Å; F15-A103 HydrophobicContact CG-CB 4.14Å; F15-A103 HydrophobicContact CZ-CB 4.43Å; A18-A103 HydrophobicContact CB-CB 4.14Å; R99-A103 VanDerWaalsContact O-CB 3.29Å; R99-A103 WeakPolarHBondContact O-CB 3.44Å; R99-A103 PolarHBondContact O-N 3.32Å; A103-A105 PolarHBondContact O-N 3.48Å; A103-M106 PolarHBondContact O-N 2.96Å; A103-D107 WeakPolarHBondContact O-CB 3.39Å; A103-D107 PolarHBondContact O-N 2.82Å |
| 104 | R | 95.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.177 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -45.6 | 175.6 | -172 | -176.3 | 167.9 | 161.8 | 2.8 | 111.7 | A18 A22 Q100 L101 I102 D107 E108 F159 | A18-R104 HydrophobicContact CB-CB 3.91Å; A22-R104 PolarHBondContact O-NH1 2.85Å; Q100-R104 WeakPolarHBondContact O-CB 3.41Å; Q100-R104 PolarHBondContact O-N 3.21Å; L101-R104 WeakPolarHBondContact O-CB 3.28Å; L101-R104 PolarHBondContact O-N 2.83Å; I102-R104 VanDerWaalsContact C-N 3.33Å; I102-R104 PolarHBondContact O-N 2.7Å; R104-D107 PolarHBondContact O-N 2.83Å; R104-E108 PolarHBondContact O-N 3.16Å; R104-E108 VanDerWaalsContact O-N 3.08Å; R104-F159 HydrophobicContact CB-CD2 4.37Å; R104-F159 HydrophobicContact CG-CD2 3.82Å; R104-F159 HydrophobicContact CG-CE2 3.76Å |
| 105 | A | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L101 I102 A103 D107 E108 F109 F159 I162 L163 L166 | L101-A105 PolarHBondContact O-N 3.27Å; I102-A105 PolarHBondContact O-N 2.92Å; A103-A105 PolarHBondContact O-N 3.48Å; A105-D107 PolarHBondContact O-N 3.41Å; A105-E108 WeakPolarHBondContact O-CB 3.43Å; A105-E108 PolarHBondContact O-N 2.97Å; A105-F109 WeakPolarHBondContact O-CD2 3.47Å; A105-F109 PolarHBondContact O-N 3.42Å; A105-F159 HydrophobicContact CB-CD2 4.33Å; A105-F159 HydrophobicContact CB-CE2 4.46Å; A105-I162 HydrophobicContact CB-CB 3.85Å; A105-I162 HydrophobicContact CB-CG2 3.41Å; A105-I162 VanDerWaalsContact CB-CG2 3.41Å; A105-L163 HydrophobicContact CB-CD2 3.87Å; A105-L163 HydrophobicContact CB-CG 4.24Å; A105-L163 VanDerWaalsContact O-CD2 3.31Å; A105-L163 WeakPolarHBondContact O-CD2 3.45Å; A105-L166 HydrophobicContact CB-CD1 3.85Å |
| 106 | M | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 174.9 | -70.2 | -179.8 | 172.6 | 0 | 0 | 111.8 | L10 Y88 I102 A103 E108 F109 Q110 F117 L166 | L10-M106 HydrophobicContact CD1-SD 3.68Å; Y88-M106 HydrophobicContact CD1-CE 4Å; Y88-M106 HydrophobicContact CD1-SD 4.18Å; Y88-M106 HydrophobicContact CD2-CE 3.87Å; Y88-M106 HydrophobicContact CE1-CE 4.23Å; Y88-M106 HydrophobicContact CE1-SD 3.85Å; Y88-M106 HydrophobicContact CE2-CE 4.14Å; Y88-M106 HydrophobicContact CE2-SD 4.25Å; Y88-M106 HydrophobicContact CG-CE 3.81Å; Y88-M106 HydrophobicContact CG-SD 4.5Å; I102-M106 HydrophobicContact CG2-CE 3.8Å; I102-M106 HydrophobicContact CG2-CG 4.48Å; I102-M106 HydrophobicContact CG2-SD 4.14Å; I102-M106 WeakPolarHBondContact O-CG 3.49Å; I102-M106 PolarHBondContact O-N 3.47Å; A103-M106 PolarHBondContact O-N 2.96Å; M106-E108 VanDerWaalsContact C-N 3.27Å; M106-E108 PolarHBondContact O-N 3.32Å; M106-F109 WeakPolarHBondContact O-CB 3.42Å; M106-F109 PolarHBondContact O-N 3.06Å; M106-Q110 WeakPolarHBondContact O-CG 3.05Å; M106-Q110 PolarHBondContact O-N 3.2Å; M106-Q110 VanDerWaalsContact O-N 3.14Å; M106-F117 HydrophobicContact CB-CB 4.12Å; M106-F117 HydrophobicContact CB-CD2 3.69Å; M106-F117 HydrophobicContact CB-CE2 4.4Å; M106-F117 HydrophobicContact CB-CG 4.03Å; M106-F117 HydrophobicContact CE-CB 4.4Å; M106-F117 HydrophobicContact CE-CD1 3.97Å; M106-F117 HydrophobicContact CE-CG 4.23Å; M106-F117 HydrophobicContact CG-CB 3.97Å; M106-F117 HydrophobicContact CG-CD1 4.2Å; M106-F117 HydrophobicContact CG-CD2 3.66Å; M106-F117 HydrophobicContact CG-CE2 4.19Å; M106-F117 HydrophobicContact CG-CG 3.66Å; M106-F117 HydrophobicContact SD-CB 3.73Å; M106-F117 HydrophobicContact SD-CD1 4.3Å; M106-F117 HydrophobicContact SD-CG 3.94Å; M106-L166 HydrophobicContact CE-CD2 4.25Å; M106-L166 HydrophobicContact CG-CD1 3.95Å |
| 107 | D | 94.1 | Very high | 95.2 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 178.7 | -167.5 | 51 | 0 | 0 | 0 | 112.6 | F15 A103 R104 A105 Q110 K111 | F15-D107 HydrophobicContact CD1-CB 4.23Å; F15-D107 HydrophobicContact CE1-CB 4.34Å; A103-D107 WeakPolarHBondContact O-CB 3.39Å; A103-D107 PolarHBondContact O-N 2.82Å; R104-D107 PolarHBondContact O-N 2.83Å; A105-D107 PolarHBondContact O-N 3.41Å; D107-Q110 PolarHBondContact O-N 3.23Å; D107-K111 WeakPolarHBondContact O-CB 3.22Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.04Å; D107-K111 PolarHBondContact O-N 3.3Å; D107-K111 WeakPolarHBondContact OD2-CE 3.34Å; D107-K111 IonicContact OD2-NZ 2.83Å; D107-K111 PolarHBondContact OD2-NZ 2.79Å |
| 108 | E | 94.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -43.2 | 173.9 | -172.2 | 74.7 | 168.7 | 0 | 0 | 112.4 | R104 A105 M106 K112 F159 L163 F253 | R104-E108 PolarHBondContact O-N 3.16Å; R104-E108 VanDerWaalsContact O-N 3.08Å; A105-E108 WeakPolarHBondContact O-CB 3.43Å; A105-E108 PolarHBondContact O-N 2.97Å; M106-E108 VanDerWaalsContact C-N 3.27Å; M106-E108 PolarHBondContact O-N 3.32Å; E108-K112 HydrophobicContact CG-CD 4.07Å; E108-K112 WeakPolarHBondContact O-CB 3.5Å; E108-K112 PolarHBondContact O-N 2.92Å; E108-K112 WeakPolarHBondContact OE1-CE 3.37Å; E108-K112 IonicContact OE1-NZ 3.46Å; E108-K112 PolarHBondContact OE1-NZ 2.96Å; E108-F159 HydrophobicContact CB-CE2 4.12Å; E108-F159 HydrophobicContact CB-CZ 4.01Å; E108-F159 HydrophobicContact CG-CE2 4.42Å; E108-F159 HydrophobicContact CG-CZ 3.82Å; E108-L163 HydrophobicContact CB-CD2 3.95Å; E108-L163 HydrophobicContact CG-CD1 4.31Å; E108-L163 HydrophobicContact CG-CD2 4.13Å; E108-F253 HydrophobicContact CB-CE2 4.5Å; E108-F253 HydrophobicContact CG-CD2 3.93Å; E108-F253 HydrophobicContact CG-CE2 3.79Å |
| 109 | F | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 172.2 | -81.5 | -90.4 | 0 | 0 | 0 | 111.1 | A105 M106 K111 K112 T113 I115 F117 L163 L166 M167 V170 F253 I261 | A105-F109 WeakPolarHBondContact O-CD2 3.47Å; A105-F109 PolarHBondContact O-N 3.42Å; M106-F109 WeakPolarHBondContact O-CB 3.42Å; M106-F109 PolarHBondContact O-N 3.06Å; F109-K111 VanDerWaalsContact C-N 3.32Å; F109-K111 PolarHBondContact O-N 2.73Å; F109-K112 PolarHBondContact O-N 3.18Å; F109-T113 WeakPolarHBondContact O-CA 3.26Å; F109-T113 WeakPolarHBondContact O-CB 3.49Å; F109-T113 PolarHBondContact O-N 3.18Å; F109-T113 PolarHBondContact O-OG1 3.34Å; F109-I115 HydrophobicContact CB-CB 4.42Å; F109-I115 HydrophobicContact CB-CG2 4.41Å; F109-I115 HydrophobicContact CD1-CB 4.42Å; F109-I115 HydrophobicContact CD1-CG2 4.42Å; F109-F117 HydrophobicContact CB-CD2 4.39Å; F109-F117 HydrophobicContact CB-CE2 3.84Å; F109-F117 HydrophobicContact CD1-CE2 4.47Å; F109-F117 AromaticContact CD2-CE2 3.7Å; F109-F117 HydrophobicContact CD2-CE2 3.7Å; F109-F117 HydrophobicContact CD2-CZ 4.31Å; F109-F117 HydrophobicContact CE2-CE2 4.31Å; F109-F117 HydrophobicContact CE2-CZ 4.49Å; F109-F117 AromaticContact CG-CE2 3.77Å; F109-F117 HydrophobicContact CG-CE2 3.77Å; F109-L163 HydrophobicContact CD2-CD2 3.98Å; F109-L163 HydrophobicContact CE2-CD2 3.77Å; F109-L166 HydrophobicContact CD2-CB 4.4Å; F109-L166 HydrophobicContact CD2-CD1 4.36Å; F109-L166 HydrophobicContact CE2-CB 3.44Å; F109-L166 VanDerWaalsContact CE2-CB 3.44Å; F109-L166 HydrophobicContact CE2-CD1 4.03Å; F109-L166 HydrophobicContact CE2-CG 4.4Å; F109-L166 HydrophobicContact CZ-CB 3.82Å; F109-M167 HydrophobicContact CE1-CB 4.47Å; F109-M167 HydrophobicContact CZ-CB 3.94Å; F109-V170 HydrophobicContact CD1-CG2 4.22Å; F109-V170 HydrophobicContact CE1-CG2 3.69Å; F109-V170 HydrophobicContact CZ-CG2 4.21Å; F109-F253 HydrophobicContact CD1-CE2 4.41Å; F109-F253 AromaticContact CD1-CZ 3.95Å; F109-F253 HydrophobicContact CD1-CZ 3.95Å; F109-F253 HydrophobicContact CD2-CE2 4.28Å; F109-F253 AromaticContact CD2-CZ 3.9Å; F109-F253 HydrophobicContact CD2-CZ 3.9Å; F109-F253 HydrophobicContact CE1-CE1 4.18Å; F109-F253 HydrophobicContact CE1-CE2 4.45Å; F109-F253 AromaticContact CE1-CZ 3.58Å; F109-F253 HydrophobicContact CE1-CZ 3.58Å; F109-F253 HydrophobicContact CE2-CE1 4.44Å; F109-F253 HydrophobicContact CE2-CE2 4.34Å; F109-F253 AromaticContact CE2-CZ 3.54Å; F109-F253 HydrophobicContact CE2-CZ 3.54Å; F109-F253 HydrophobicContact CG-CE2 4.33Å; F109-F253 HydrophobicContact CG-CZ 4.1Å; F109-F253 AromaticContact CZ-CE1 3.97Å; F109-F253 HydrophobicContact CZ-CE1 3.97Å; F109-F253 HydrophobicContact CZ-CE2 4.45Å; F109-F253 AromaticContact CZ-CZ 3.39Å; F109-F253 HydrophobicContact CZ-CZ 3.39Å; F109-I261 HydrophobicContact CD1-CD1 4.19Å; F109-I261 HydrophobicContact CE1-CD1 3.81Å |
| 110 | Q | 93.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.009 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.9 | -35.7 | -174.4 | -63.7 | 177.2 | 147.7 | 0 | 0 | 112.6 | M106 D107 T113 R116 F117 F300 N301 | M106-Q110 WeakPolarHBondContact O-CG 3.05Å; M106-Q110 PolarHBondContact O-N 3.2Å; M106-Q110 VanDerWaalsContact O-N 3.14Å; D107-Q110 PolarHBondContact O-N 3.23Å; Q110-T113 VanDerWaalsContact O-O 3.13Å; Q110-R116 PolarHBondContact O-NH1 3.36Å; Q110-F117 PolarHBondContact OE1-O 3.43Å; Q110-F300 WeakPolarHBondContact CB-O 3.47Å; Q110-N301 PolarHBondContact NE2-ND2 2.93Å |
| 111 | K | 90.7 | Very high | 95 | Very high | 135 Ų | 135 | 26.5 Ų | 26.5 | 59% | 0.587 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -70.4 | -32.3 | 175.9 | -76.3 | 170.8 | 172.9 | 163 | 0 | 113.5 | D107 F109 | D107-K111 WeakPolarHBondContact O-CB 3.22Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.04Å; D107-K111 PolarHBondContact O-N 3.3Å; D107-K111 WeakPolarHBondContact OD2-CE 3.34Å; D107-K111 IonicContact OD2-NZ 2.83Å; D107-K111 PolarHBondContact OD2-NZ 2.79Å; F109-K111 VanDerWaalsContact C-N 3.32Å; F109-K111 PolarHBondContact O-N 2.73Å |
| 112 | K | 91.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 30 Ų | 30 | 34% | 0.339 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -106.3 | -11.3 | -169.4 | -70.1 | 171.9 | 163.3 | -167.9 | 0 | 113.9 | E108 F109 F253 M258 N262 | E108-K112 HydrophobicContact CG-CD 4.07Å; E108-K112 WeakPolarHBondContact O-CB 3.5Å; E108-K112 PolarHBondContact O-N 2.92Å; E108-K112 WeakPolarHBondContact OE1-CE 3.37Å; E108-K112 IonicContact OE1-NZ 3.46Å; E108-K112 PolarHBondContact OE1-NZ 2.96Å; F109-K112 PolarHBondContact O-N 3.18Å; K112-F253 HydrophobicContact CD-CD2 4.35Å; K112-M258 HydrophobicContact CB-CG 4.27Å; K112-M258 HydrophobicContact CB-SD 3.78Å; K112-M258 HydrophobicContact CD-CG 4.46Å; K112-M258 HydrophobicContact CD-SD 3.52Å; K112-M258 VanDerWaalsContact CD-SD 3.52Å; K112-M258 HydrophobicContact CG-SD 3.81Å; K112-N262 PolarHBondContact O-ND2 3.16Å |
| 113 | T | 93.4 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -145.2 | 175 | -173.8 | 77.4 | 0 | 0 | 0 | 0 | 111.9 | F109 Q110 I115 R116 I261 N262 | F109-T113 WeakPolarHBondContact O-CA 3.26Å; F109-T113 WeakPolarHBondContact O-CB 3.49Å; F109-T113 PolarHBondContact O-N 3.18Å; F109-T113 PolarHBondContact O-OG1 3.34Å; Q110-T113 VanDerWaalsContact O-O 3.13Å; T113-I115 VanDerWaalsContact C-N 3.3Å; T113-I115 WeakPolarHBondContact OG1-CB 3.21Å; T113-I115 PolarHBondContact OG1-N 3.3Å; T113-R116 PolarHBondContact O-NH1 2.66Å; T113-I261 HydrophobicContact CG2-CB 4.04Å; T113-I261 HydrophobicContact CG2-CD1 4.27Å; T113-I261 HydrophobicContact CG2-CG2 3.7Å; T113-N262 WeakPolarHBondContact CA-OD1 2.95Å; T113-N262 WeakPolarHBondContact CB-OD1 3.36Å; T113-N262 WeakPolarHBondContact CG2-OD1 3.31Å |
| 114 | C | 92.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -83.3 | 0.1 | 168.4 | 63.5 | 0 | 0 | 0 | 0 | 113.9 | R116 C267 F271 | C114-R116 PolarHBondContact O-N 3.14Å; C114-C267 HydrophobicContact CB-CB 3.5Å; C114-C267 WeakPolarHBondContact CB-SG 3.48Å; C114-C267 PolarHBondContact N-SG 2.76Å; C114-C267 WeakPolarHBondContact SG-CA 3.45Å; C114-C267 WeakPolarHBondContact SG-CB 3.1Å; C114-C267 CovalentContact SG-SG 2.02Å; C114-C267 PolarHBondContact SG-SG 2.76Å; C114-F271 HydrophobicContact CB-CE2 3.69Å; C114-F271 HydrophobicContact CB-CZ 3.79Å |
| 115 | I | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -63.5 | 134.1 | 174.9 | -61.9 | -59.8 | 0 | 0 | 0 | 109.7 | G84 I86 F109 T113 F117 V170 I261 Y265 | G84-I115 WeakPolarHBondContact O-CA 3.46Å; I86-I115 HydrophobicContact CD1-CG2 3.81Å; I86-I115 HydrophobicContact CG1-CG2 4.24Å; F109-I115 HydrophobicContact CB-CB 4.42Å; F109-I115 HydrophobicContact CB-CG2 4.41Å; F109-I115 HydrophobicContact CD1-CB 4.42Å; F109-I115 HydrophobicContact CD1-CG2 4.42Å; T113-I115 VanDerWaalsContact C-N 3.3Å; T113-I115 WeakPolarHBondContact OG1-CB 3.21Å; T113-I115 PolarHBondContact OG1-N 3.3Å; I115-F117 HydrophobicContact CG2-CD2 4.29Å; I115-F117 HydrophobicContact CG2-CE2 3.89Å; I115-F117 HydrophobicContact CG2-CZ 4.25Å; I115-V170 HydrophobicContact CD1-CG1 4.19Å; I115-V170 HydrophobicContact CG1-CG1 4.32Å; I115-V170 HydrophobicContact CG1-CG2 4.36Å; I115-V170 HydrophobicContact CG2-CG2 4.21Å; I115-I261 HydrophobicContact CD1-CG2 4.38Å; I115-I261 HydrophobicContact CG1-CG2 3.67Å; I115-Y265 HydrophobicContact CD1-CD1 3.76Å; I115-Y265 HydrophobicContact CD1-CD2 3.57Å; I115-Y265 HydrophobicContact CD1-CE1 3.86Å; I115-Y265 HydrophobicContact CD1-CE2 3.7Å; I115-Y265 HydrophobicContact CD1-CG 3.6Å | ||
| 116 | R | 95.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 55.6 Ų | 55.6 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 113.2 | 178 | -63.4 | -64.1 | 176.6 | -94.7 | 6.8 | 109.4 | G84 E85 I86 Q110 T113 C114 V118 | G84-R116 PolarHBondContact O-N 3.21Å; E85-R116 WeakPolarHBondContact CA-O 3.44Å; I86-R116 PolarHBondContact N-O 3.37Å; Q110-R116 PolarHBondContact O-NH1 3.36Å; T113-R116 PolarHBondContact O-NH1 2.66Å; C114-R116 PolarHBondContact O-N 3.14Å; R116-V118 HydrophobicContact CB-CG1 4.22Å |
| 117 | F | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.6 | 167.5 | -69.8 | -80 | 0 | 0 | 0 | 108 | I86 Y88 M106 F109 Q110 I115 L166 V170 | I86-F117 HydrophobicContact CB-CD1 3.85Å; I86-F117 HydrophobicContact CB-CE1 3.94Å; I86-F117 HydrophobicContact CD1-CE1 3.89Å; I86-F117 HydrophobicContact CD1-CZ 4.07Å; I86-F117 HydrophobicContact CG1-CE1 4.43Å; I86-F117 HydrophobicContact CG2-CD1 3.98Å; I86-F117 HydrophobicContact CG2-CE1 3.85Å; I86-F117 WeakPolarHBondContact O-CA 3.44Å; Y88-F117 HydrophobicContact CD1-CB 3.84Å; Y88-F117 HydrophobicContact CD1-CD1 4.46Å; Y88-F117 HydrophobicContact CE1-CB 3.85Å; M106-F117 HydrophobicContact CB-CB 4.12Å; M106-F117 HydrophobicContact CB-CD2 3.69Å; M106-F117 HydrophobicContact CB-CE2 4.4Å; M106-F117 HydrophobicContact CB-CG 4.03Å; M106-F117 HydrophobicContact CE-CB 4.4Å; M106-F117 HydrophobicContact CE-CD1 3.97Å; M106-F117 HydrophobicContact CE-CG 4.23Å; M106-F117 HydrophobicContact CG-CB 3.97Å; M106-F117 HydrophobicContact CG-CD1 4.2Å; M106-F117 HydrophobicContact CG-CD2 3.66Å; M106-F117 HydrophobicContact CG-CE2 4.19Å; M106-F117 HydrophobicContact CG-CG 3.66Å; M106-F117 HydrophobicContact SD-CB 3.73Å; M106-F117 HydrophobicContact SD-CD1 4.3Å; M106-F117 HydrophobicContact SD-CG 3.94Å; F109-F117 HydrophobicContact CB-CD2 4.39Å; F109-F117 HydrophobicContact CB-CE2 3.84Å; F109-F117 HydrophobicContact CD1-CE2 4.47Å; F109-F117 AromaticContact CD2-CE2 3.7Å; F109-F117 HydrophobicContact CD2-CE2 3.7Å; F109-F117 HydrophobicContact CD2-CZ 4.31Å; F109-F117 HydrophobicContact CE2-CE2 4.31Å; F109-F117 HydrophobicContact CE2-CZ 4.49Å; F109-F117 AromaticContact CG-CE2 3.77Å; F109-F117 HydrophobicContact CG-CE2 3.77Å; Q110-F117 PolarHBondContact OE1-O 3.43Å; I115-F117 HydrophobicContact CG2-CD2 4.29Å; I115-F117 HydrophobicContact CG2-CE2 3.89Å; I115-F117 HydrophobicContact CG2-CZ 4.25Å; F117-L166 HydrophobicContact CE1-CD2 3.71Å; F117-L166 HydrophobicContact CE2-CD1 4.47Å; F117-L166 HydrophobicContact CZ-CB 4.09Å; F117-L166 HydrophobicContact CZ-CD1 4.28Å; F117-L166 HydrophobicContact CZ-CD2 3.79Å; F117-L166 HydrophobicContact CZ-CG 4.27Å; F117-V170 HydrophobicContact CZ-CG2 4.47Å |
| 118 | V | 95.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.4 | -174.4 | -61.1 | 0 | 0 | 0 | 0 | 111 | E85 I86 P87 Y88 R116 R120 | E85-V118 HydrophobicContact CG-CB 4.18Å; E85-V118 HydrophobicContact CG-CG1 3.63Å; E85-V118 HydrophobicContact CG-CG2 3.47Å; E85-V118 VanDerWaalsContact CG-CG2 3.47Å; E85-V118 WeakPolarHBondContact OE1-CG2 3.31Å; I86-V118 PolarHBondContact O-N 3.23Å; P87-V118 WeakPolarHBondContact CA-O 3.23Å; P87-V118 HydrophobicContact CB-CG2 4.26Å; P87-V118 HydrophobicContact CG-CG2 4.14Å; Y88-V118 WeakPolarHBondContact CD1-O 3.18Å; Y88-V118 WeakPolarHBondContact CE1-O 3.36Å; Y88-V118 PolarHBondContact N-O 3.41Å; R116-V118 HydrophobicContact CB-CG1 4.22Å; V118-R120 PolarHBondContact O-N 3.02Å |
| 119 | P | 95.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 132.9 | 170.8 | 27 | -32.9 | 0 | 0 | 0 | 109 | T9 D121 | T9-P119 HydrophobicContact CG2-CB 3.63Å; P119-D121 PolarHBondContact O-N 3.49Å |
| 120 | R | 95.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -61.2 | 125.9 | 178.9 | -172.6 | -168.5 | 173.5 | -139.4 | -5 | 111.3 | P87 Y88 V89 V118 P122 H125 Y128 | P87-R120 HydrophobicContact CB-CB 4.43Å; P87-R120 HydrophobicContact CB-CG 4.42Å; Y88-R120 WeakPolarHBondContact O-CB 3.43Å; Y88-R120 PolarHBondContact O-N 3.28Å; Y88-R120 VanDerWaalsContact O-N 3.07Å; V89-R120 HydrophobicContact CG1-CB 3.54Å; V89-R120 HydrophobicContact CG1-CG 4.4Å; V118-R120 PolarHBondContact O-N 3.02Å; R120-P122 WeakPolarHBondContact O-CD 3.41Å; R120-H125 HydrophobicContact CG-CB 3.79Å; R120-H125 PolarHBondContact NE-O 3.04Å; R120-H125 PolarHBondContact NH2-O 3.35Å; R120-Y128 VanDerWaalsContact CD-CG 3.49Å; R120-Y128 HydrophobicContact CG-CG 4.25Å | ||
| 121 | D | 93.1 | Very high | 94.6 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 35% | 0.348 | 25% | 0.248 | S | C | . | . | trans | -98.2 | 109.1 | 163 | 178.7 | -7.6 | 0 | 0 | 0 | 108.8 | P119 R123 R124 H125 | P119-D121 PolarHBondContact O-N 3.49Å; D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.98Å; D121-R124 HydrophobicContact CB-CB 4.32Å; D121-R124 PolarHBondContact O-N 2.98Å; D121-H125 PolarHBondContact N-ND1 3.22Å; D121-H125 WeakPolarHBondContact O-CB 3.31Å; D121-H125 PolarHBondContact O-N 3.16Å | ||
| 122 | P | 92.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17 | -179.4 | -24.5 | 34.8 | 0 | 0 | 0 | 115 | R120 | R120-P122 WeakPolarHBondContact O-CD 3.41Š|
| 123 | R | 92.8 | Very high | 94.9 | Very high | 241 Ų | 241 | 51.1 Ų | 51.1 | 91% | 0.909 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -23.8 | 177.2 | -59.3 | 179.6 | 177.3 | -174.3 | -0.3 | 113 | D121 | D121-R123 PolarHBondContact O-N 3.04Å; D121-R123 WeakPolarHBondContact OD1-CB 3.31Å; D121-R123 PolarHBondContact OD1-N 2.98Å |
| 124 | R | 93.4 | Very high | 94.7 | Very high | 149 Ų | 149 | 54.8 Ų | 54.8 | 56% | 0.562 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -31.7 | -175.3 | -175.1 | 167 | 62.5 | 100 | 0.4 | 112.9 | E85 D121 | E85-R124 IonicContact OE1-CZ 3.1Å; E85-R124 IonicContact OE1-NH1 2.67Å; E85-R124 PolarHBondContact OE1-NH1 3.18Å; E85-R124 IonicContact OE1-NH2 2.73Å; E85-R124 PolarHBondContact OE1-NH2 3.45Å; E85-R124 IonicContact OE2-NH1 3.39Å; E85-R124 PolarHBondContact OE2-NH1 3Å; D121-R124 HydrophobicContact CB-CB 4.32Å; D121-R124 PolarHBondContact O-N 2.98Å |
| 125 | H | 94.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | trans | -105.8 | 90.9 | -171.4 | -56.5 | 154.9 | 0 | 0 | 0 | 111.2 | E85 P87 R120 D121 | E85-H125 IonicContact OE1-CE1 3.38Å; E85-H125 PolarHBondContact OE1-CE1 3.19Å; E85-H125 IonicContact OE1-NE2 3.06Å; E85-H125 PolarHBondContact OE1-NE2 3.08Å; P87-H125 HydrophobicContact CB-CB 3.74Å; P87-H125 WeakPolarHBondContact CB-ND1 3.41Å; P87-H125 HydrophobicContact CG-CB 3.76Å; P87-H125 VanDerWaalsContact CG-CD2 3.44Å; P87-H125 WeakPolarHBondContact CG-CD2 3.48Å; P87-H125 WeakPolarHBondContact CG-ND1 3.42Å; R120-H125 HydrophobicContact CG-CB 3.79Å; R120-H125 PolarHBondContact NE-O 3.04Å; R120-H125 PolarHBondContact NH2-O 3.35Å; D121-H125 PolarHBondContact N-ND1 3.22Å; D121-H125 WeakPolarHBondContact O-CB 3.31Å; D121-H125 PolarHBondContact O-N 3.16Å | ||
| 126 | Y | 93.7 | Very high | 94.2 | Very high | 185 Ų | 185 | 58.4 Ų | 58.4 | 73% | 0.725 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -70.3 | -45.6 | 166.3 | -178.5 | -104.7 | 0 | 0 | 0 | 110.8 | Y128 | Y126-Y128 WeakPolarHBondContact O-CD1 3.4Š|
| 127 | D | 94.9 | Very high | 94.2 | Very high | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -92.5 | 134.6 | 176.6 | -54.2 | -27.6 | 0 | 0 | 0 | 110.7 | W81 R143 G145 G146 | W81-D127 HydrophobicContact CH2-CB 4.39Å; W81-D127 HydrophobicContact CZ3-CB 3.93Å; D127-R143 HydrophobicContact CB-CG 4.11Å; D127-R143 WeakPolarHBondContact OD2-CD 3.39Å; D127-R143 IonicContact OD2-CZ 3.64Å; D127-R143 IonicContact OD2-NE 3.93Å; D127-R143 IonicContact OD2-NH1 2.64Å; D127-R143 PolarHBondContact OD2-NH1 2.75Å; D127-G145 VanDerWaalsContact OD1-CA 3.25Å; D127-G145 WeakPolarHBondContact OD1-CA 3.12Å; D127-G146 VanDerWaalsContact CA-O 3.29Å; D127-G146 WeakPolarHBondContact CA-O 3.24Å; D127-G146 PolarHBondContact OD1-N 2.96Å |
| 128 | Y | 96.3 | Very high | 94 | Very high | 27 Ų | 27 | 57.3 Ų | 57.3 | 11% | 0.106 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 157.8 | 179.3 | 65.4 | -79.1 | 0 | 0 | 0 | 112.1 | P87 V89 R120 Y126 G146 S147 Q148 | P87-Y128 CarbonylContact O-C 3.51Å; P87-Y128 VanDerWaalsContact O-CA 3.27Å; P87-Y128 WeakPolarHBondContact O-CA 3.37Å; P87-Y128 WeakPolarHBondContact O-CB 3.1Å; V89-Y128 HydrophobicContact CG2-CD2 3.79Å; V89-Y128 HydrophobicContact CG2-CE2 3.6Å; R120-Y128 VanDerWaalsContact CD-CG 3.49Å; R120-Y128 HydrophobicContact CG-CG 4.25Å; Y126-Y128 WeakPolarHBondContact O-CD1 3.4Å; Y128-G146 PolarHBondContact N-O 3.18Å; Y128-S147 WeakPolarHBondContact CE2-OG 3.46Å; Y128-S147 VanDerWaalsContact CZ-CB 3.4Å; Y128-S147 VanDerWaalsContact CZ-OG 3.29Å; Y128-S147 WeakPolarHBondContact OH-CB 3.11Å; Y128-S147 PolarHBondContact OH-OG 2.63Å; Y128-Q148 PolarHBondContact O-N 2.88Å |
| 129 | V | 97.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 126.5 | 172.1 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | W81 I86 P87 Y88 V89 V131 Q148 L150 A169 | W81-V129 HydrophobicContact CH2-CG2 4.05Å; W81-V129 HydrophobicContact CZ2-CG2 3.73Å; I86-V129 HydrophobicContact CG2-CG2 3.77Å; P87-V129 PolarHBondContact O-N 3.01Å; Y88-V129 CarbonylContact C-O 3.55Å; Y88-V129 WeakPolarHBondContact CA-O 3.48Å; V89-V129 PolarHBondContact N-O 2.93Å; V129-V131 HydrophobicContact CG1-CG2 3.97Å; V129-Q148 CarbonylContact C-O 3.55Å; V129-Q148 WeakPolarHBondContact CA-O 3.24Å; V129-Q148 HydrophobicContact CG2-CG 4.15Å; V129-L150 HydrophobicContact CG1-CB 3.59Å; V129-L150 HydrophobicContact CG1-CD1 4.02Å; V129-L150 HydrophobicContact CG1-CG 4.47Å; V129-A169 HydrophobicContact CG2-CB 4.33Å |
| 130 | Y | 96.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 7% | 0.071 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 109.3 | 168.9 | 178.3 | -141.3 | 0 | 0 | 0 | 109.4 | M7 V89 E132 Q148 P149 L150 | M7-Y130 HydrophobicContact CG-CD2 4.46Å; M7-Y130 HydrophobicContact CG-CE2 4.03Å; V89-Y130 HydrophobicContact CG2-CD2 3.67Å; V89-Y130 HydrophobicContact CG2-CE2 4.48Å; V89-Y130 HydrophobicContact CG2-CG 4.34Å; Y130-E132 HydrophobicContact CD1-CB 4.31Å; Y130-E132 HydrophobicContact CD1-CG 4.2Å; Y130-E132 VanDerWaalsContact CD1-OE1 3.25Å; Y130-E132 WeakPolarHBondContact CD1-OE1 3.47Å; Y130-E132 HydrophobicContact CE1-CB 3.84Å; Y130-E132 HydrophobicContact CE1-CG 3.99Å; Y130-E132 VanDerWaalsContact CE1-OE1 3.31Å; Y130-E132 WeakPolarHBondContact CE1-OE1 3.37Å; Y130-E132 WeakPolarHBondContact CE1-OE2 3.5Å; Y130-E132 HydrophobicContact CE2-CB 4.21Å; Y130-Q148 PolarHBondContact N-O 3.27Å; Y130-P149 CarbonylContact O-C 3.55Å; Y130-P149 WeakPolarHBondContact O-CA 3.36Å; Y130-L150 PolarHBondContact O-N 3.46Å |
| 131 | V | 97.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.5 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | V89 L90 S91 Y94 I102 V129 L150 L152 | V89-V131 PolarHBondContact O-N 2.74Å; L90-V131 CarbonylContact C-O 3.16Å; L90-V131 WeakPolarHBondContact CA-O 3.39Å; L90-V131 HydrophobicContact CG-CB 4.27Å; S91-V131 PolarHBondContact N-O 2.63Å; Y94-V131 HydrophobicContact CE2-CB 4.43Å; Y94-V131 HydrophobicContact CE2-CG1 3.86Å; Y94-V131 WeakPolarHBondContact CE2-O 3.44Å; I102-V131 HydrophobicContact CD1-CG1 4.13Å; V129-V131 HydrophobicContact CG1-CG2 3.97Å; V131-L150 WeakPolarHBondContact CA-O 3.28Å; V131-L150 HydrophobicContact CG1-CD2 4.35Å; V131-L150 HydrophobicContact CG2-CB 4.47Å; V131-L152 HydrophobicContact CG1-CD1 3.8Å; V131-L152 HydrophobicContact CG1-CG 4.44Å |
| 132 | E | 95.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 50 Ų | 50 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 153.2 | -174.2 | 68.3 | -179.6 | 134.8 | 0 | 0 | 112.9 | Y94 Y130 D134 L150 S151 L152 | Y94-E132 WeakPolarHBondContact OH-CA 3.27Å; Y94-E132 PolarHBondContact OH-N 3.03Å; Y94-E132 PolarHBondContact OH-O 3.4Å; Y94-E132 VanDerWaalsContact OH-O 3.11Å; Y130-E132 HydrophobicContact CD1-CB 4.31Å; Y130-E132 HydrophobicContact CD1-CG 4.2Å; Y130-E132 VanDerWaalsContact CD1-OE1 3.25Å; Y130-E132 WeakPolarHBondContact CD1-OE1 3.47Å; Y130-E132 HydrophobicContact CE1-CB 3.84Å; Y130-E132 HydrophobicContact CE1-CG 3.99Å; Y130-E132 VanDerWaalsContact CE1-OE1 3.31Å; Y130-E132 WeakPolarHBondContact CE1-OE1 3.37Å; Y130-E132 WeakPolarHBondContact CE1-OE2 3.5Å; Y130-E132 HydrophobicContact CE2-CB 4.21Å; E132-D134 HydrophobicContact CG-CB 4.23Å; E132-D134 PolarHBondContact O-N 3.3Å; E132-L150 PolarHBondContact N-O 3.11Å; E132-S151 CarbonylContact O-C 3.58Å; E132-S151 WeakPolarHBondContact O-CA 3.02Å; E132-L152 PolarHBondContact O-N 3.03Å |
| 133 | P | 93.7 | Very high | 93.4 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | trans | -88.8 | 78.8 | 175.6 | 33.7 | -32.4 | 0 | 0 | 0 | 110.6 | T93 Y94 L152 | T93-P133 WeakPolarHBondContact OG1-CD 3.33Å; T93-P133 VanDerWaalsContact OG1-CG 3.22Å; T93-P133 WeakPolarHBondContact OG1-CG 3.17Å; Y94-P133 HydrophobicContact CE1-CB 4.11Å; Y94-P133 HydrophobicContact CE1-CG 4.22Å; P133-L152 WeakPolarHBondContact CB-O 3.46Å | ||
| 134 | D | 89.7 | Confident | 93.1 | Very high | 83 Ų | 83 | 37.9 Ų | 37.9 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -86.4 | -89.3 | 180 | -179.8 | 42.9 | 0 | 0 | 0 | 112.2 | E132 Y138 S151 | E132-D134 HydrophobicContact CG-CB 4.23Å; E132-D134 PolarHBondContact O-N 3.3Å; D134-Y138 PolarHBondContact OD2-OH 3.41Å; D134-S151 PolarHBondContact N-OG 3.36Å |
| 135 | D | 86 | Confident | 92.8 | Very high | 67 Ų | 67 | 31.7 Ų | 31.7 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -142.4 | 100.1 | -178.6 | -176.8 | 19.7 | 0 | 0 | 0 | 111.7 | R58 Y138 S151 | R58-D135 VanDerWaalsContact CD-OD2 3.25Å; R58-D135 WeakPolarHBondContact CD-OD2 3.43Å; R58-D135 IonicContact CZ-OD1 3.46Å; R58-D135 IonicContact CZ-OD2 2.89Å; R58-D135 IonicContact NE-OD2 3.81Å; R58-D135 IonicContact NH1-OD1 2.89Å; R58-D135 PolarHBondContact NH1-OD1 3.48Å; R58-D135 IonicContact NH1-OD2 2.76Å; R58-D135 PolarHBondContact NH1-OD2 2.88Å; D135-Y138 WeakPolarHBondContact O-CD1 3.12Å; D135-Y138 WeakPolarHBondContact O-CE1 3.11Å; D135-S151 PolarHBondContact N-OG 3.08Å |
| 136 | G | 91.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 21% | 0.206 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 76.1 | -154 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S151 T153 C156 | G136-S151 PolarHBondContact O-OG 3.09Å; G136-T153 PolarHBondContact O-N 3.25Å; G136-T153 PolarHBondContact O-OG1 3.06Å; G136-C156 PolarHBondContact O-SG 2.91Å |
| 137 | C | 95 | Very high | 92.6 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.7 | 178.9 | -37.5 | 0 | 0 | 0 | 0 | 107.7 | D47 S151 C156 I161 E165 | D47-C137 VanDerWaalsContact CB-O 3.31Å; D47-C137 WeakPolarHBondContact CB-O 3.01Å; C137-S151 WeakPolarHBondContact CA-O 2.98Å; C137-C156 WeakPolarHBondContact CA-SG 3.29Å; C137-C156 HydrophobicContact CB-CB 3.95Å; C137-C156 WeakPolarHBondContact CB-SG 3.23Å; C137-C156 PolarHBondContact N-SG 3.41Å; C137-C156 VanDerWaalsContact SG-CA 3.6Å; C137-C156 WeakPolarHBondContact SG-CB 3.36Å; C137-C156 CovalentContact SG-SG 2.03Å; C137-C156 PolarHBondContact SG-SG 3.23Å; C137-I161 HydrophobicContact CB-CG2 4.05Å; C137-E165 HydrophobicContact CB-CG 4.35Å |
| 138 | Y | 93.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.024 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 160.7 | 174.8 | 63.4 | -110.4 | 0 | 0 | 0 | 113.7 | D47 M49 M55 D134 D135 P149 L150 S151 E165 | D47-Y138 CarbonylContact O-C 3.59Å; D47-Y138 WeakPolarHBondContact O-CA 3.05Å; D47-Y138 WeakPolarHBondContact O-CB 3.42Å; M49-Y138 HydrophobicContact CB-CD2 4.11Å; M49-Y138 HydrophobicContact CE-CD2 3.72Å; M49-Y138 HydrophobicContact CE-CE1 4.24Å; M49-Y138 HydrophobicContact CE-CE2 3.04Å; M49-Y138 WeakPolarHBondContact CE-OH 3.32Å; M49-Y138 HydrophobicContact SD-CE2 4.19Å; M55-Y138 HydrophobicContact CE-CD1 4.44Å; M55-Y138 HydrophobicContact CE-CG 3.99Å; M55-Y138 HydrophobicContact SD-CD1 3.55Å; M55-Y138 VanDerWaalsContact SD-CD1 3.55Å; M55-Y138 HydrophobicContact SD-CD2 4.18Å; M55-Y138 HydrophobicContact SD-CE1 4.22Å; M55-Y138 HydrophobicContact SD-CG 3.53Å; M55-Y138 VanDerWaalsContact SD-CG 3.53Å; D134-Y138 PolarHBondContact OD2-OH 3.41Å; D135-Y138 WeakPolarHBondContact O-CD1 3.12Å; D135-Y138 WeakPolarHBondContact O-CE1 3.11Å; Y138-P149 HydrophobicContact CE2-CB 4.15Å; Y138-P149 HydrophobicContact CE2-CG 4.16Å; Y138-L150 CarbonylContact O-C 3.58Å; Y138-L150 WeakPolarHBondContact O-CA 3.35Å; Y138-S151 VanDerWaalsContact CD1-CB 3.43Å; Y138-S151 PolarHBondContact N-O 2.9Å; Y138-S151 VanDerWaalsContact N-O 3.15Å; Y138-S151 PolarHBondContact O-N 3.41Å; Y138-E165 WeakPolarHBondContact CA-OE2 3.35Å |
| 139 | S | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 163 | 168.1 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | D47 M49 E165 A169 | D47-S139 PolarHBondContact O-N 3.28Å; M49-S139 PolarHBondContact N-O 3.24Å; S139-E165 VanDerWaalsContact CB-O 3.31Å; S139-E165 WeakPolarHBondContact CB-O 3.24Å; S139-E165 PolarHBondContact N-OE2 3.04Å; S139-E165 VanDerWaalsContact N-OE2 3.11Å; S139-E165 PolarHBondContact OG-O 2.77Å; S139-A169 PolarHBondContact OG-N 3.08Å |
| 140 | M | 90.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | trans | -79.7 | 162.5 | 158.9 | -64.1 | -173.4 | -179.9 | 0 | 0 | 110.8 | M49 I65 A69 M144 Q148 H168 A169 | M49-M140 HydrophobicContact CB-CG 4.08Å; M49-M140 HydrophobicContact CG-CE 4.11Å; M49-M140 HydrophobicContact CG-CG 4.28Å; M49-M140 HydrophobicContact SD-CE 3.4Å; M49-M140 WeakPolarHBondContact SD-CE 3.3Å; M49-M140 HydrophobicContact SD-CG 4.2Å; I65-M140 HydrophobicContact CG2-CE 4.1Å; A69-M140 HydrophobicContact CB-CE 4.11Å; A69-M140 HydrophobicContact CB-SD 4.13Å; M140-M144 HydrophobicContact CB-CG 3.88Å; M140-M144 HydrophobicContact CG-CG 4.4Å; M140-M144 HydrophobicContact SD-CB 3.8Å; M140-M144 HydrophobicContact SD-CG 3.72Å; M140-Q148 HydrophobicContact SD-CB 3.76Å; M140-H168 CarbonylContact O-C 3.45Å; M140-H168 VanDerWaalsContact O-C 3.24Å; M140-A169 WeakPolarHBondContact O-CA 3.5Å; M140-A169 PolarHBondContact O-N 3.27Å | ||
| 141 | I | 90.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -93 | 115.5 | 177.7 | -53.6 | 176.6 | 0 | 0 | 0 | 109.9 | I48 A73 H168 I173 | I48-I141 HydrophobicContact CD1-CD1 3.82Å; I48-I141 HydrophobicContact CD1-CG1 4.28Å; I48-I141 HydrophobicContact CG2-CD1 3.64Å; I48-I141 HydrophobicContact CG2-CG1 3.59Å; A73-I141 HydrophobicContact CB-CB 4.46Å; A73-I141 HydrophobicContact CB-CD1 3.62Å; I141-H168 CarbonylContact C-O 3.57Å; I141-H168 VanDerWaalsContact CA-O 3.3Å; I141-H168 WeakPolarHBondContact CA-O 3.34Å; I141-I173 HydrophobicContact CD1-CG2 3.65Å |
| 142 | G | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 70.8 | -158.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y79 Q148 H168 A169 | Y79-G142 WeakPolarHBondContact O-CA 3.36Å; G142-Q148 PolarHBondContact O-NE2 3.1Å; G142-Q148 PolarHBondContact O-OE1 3.11Å; G142-H168 PolarHBondContact N-O 3.39Å; G142-A169 CarbonylContact C-O 3.58Å; G142-A169 WeakPolarHBondContact CA-O 3.43Å; G142-A169 PolarHBondContact N-O 3.41Å |
| 143 | R | 91.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 21.5 Ų | 21.5 | 21% | 0.208 | 13% | 0.132 | C | C | . | . | trans | -91.5 | 112.4 | -179.7 | -173.8 | 178.8 | 64.1 | 86.7 | 2 | 110.6 | E78 Y79 R80 W81 D127 | E78-R143 VanDerWaalsContact O-CZ 3.32Å; E78-R143 PolarHBondContact O-NH2 3.47Å; Y79-R143 PolarHBondContact O-N 2.85Å; R80-R143 PolarHBondContact O-NE 3.33Å; W81-R143 HydrophobicContact CD2-CB 3.84Å; W81-R143 HydrophobicContact CD2-CG 4.03Å; W81-R143 HydrophobicContact CE3-CB 4.25Å; W81-R143 HydrophobicContact CE3-CG 3.91Å; W81-R143 HydrophobicContact CG-CB 4.18Å; W81-R143 HydrophobicContact CH2-CB 4.47Å; W81-R143 HydrophobicContact CH2-CG 4.05Å; W81-R143 HydrophobicContact CZ2-CB 4.1Å; W81-R143 HydrophobicContact CZ2-CG 4.19Å; W81-R143 HydrophobicContact CZ3-CG 3.91Å; D127-R143 HydrophobicContact CB-CG 4.11Å; D127-R143 WeakPolarHBondContact OD2-CD 3.39Å; D127-R143 IonicContact OD2-CZ 3.64Å; D127-R143 IonicContact OD2-NE 3.93Å; D127-R143 IonicContact OD2-NH1 2.64Å; D127-R143 PolarHBondContact OD2-NH1 2.75Å | ||
| 144 | M | 87.4 | Confident | 92.3 | Very high | 25 Ų | 25 | 27.8 Ų | 27.8 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | trans | -102.4 | -4.1 | -176.2 | -57.9 | -47.2 | -70.3 | 0 | 0 | 114.7 | A69 Y79 M140 | A69-M144 VanDerWaalsContact CA-CE 3.45Å; A69-M144 HydrophobicContact CB-CB 4.47Å; A69-M144 HydrophobicContact CB-CE 4.25Å; Y79-M144 HydrophobicContact CD1-CE 4.35Å; Y79-M144 HydrophobicContact CD1-SD 4.01Å; Y79-M144 HydrophobicContact CE1-CE 4.28Å; M140-M144 HydrophobicContact CB-CG 3.88Å; M140-M144 HydrophobicContact CG-CG 4.4Å; M140-M144 HydrophobicContact SD-CB 3.8Å; M140-M144 HydrophobicContact SD-CG 3.72Å | ||
| 145 | G | 86.5 | Confident | 92.4 | Very high | 19 Ų | 19 | 26.6 Ų | 26.6 | 20% | 0.196 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 92.8 | 143.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D127 | D127-G145 VanDerWaalsContact OD1-CA 3.25Å; D127-G145 WeakPolarHBondContact OD1-CA 3.12Å |
| 146 | G | 91.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 13% | 0.134 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 62.2 | -153.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D127 Y128 | D127-G146 VanDerWaalsContact CA-O 3.29Å; D127-G146 WeakPolarHBondContact CA-O 3.24Å; D127-G146 PolarHBondContact OD1-N 2.96Å; Y128-G146 PolarHBondContact N-O 3.18Å |
| 147 | S | 92.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 23.5 Ų | 23.5 | 33% | 0.329 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.6 | 171.1 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | Y128 | Y128-S147 WeakPolarHBondContact CE2-OG 3.46Å; Y128-S147 VanDerWaalsContact CZ-CB 3.4Å; Y128-S147 VanDerWaalsContact CZ-OG 3.29Å; Y128-S147 WeakPolarHBondContact OH-CB 3.11Å; Y128-S147 PolarHBondContact OH-OG 2.63Å |
| 148 | Q | 93 | Very high | 93 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131 | 170.4 | 62.8 | -175.1 | 74.7 | 0 | 0 | 111 | Y128 V129 Y130 M140 G142 | Y128-Q148 PolarHBondContact O-N 2.88Å; V129-Q148 CarbonylContact C-O 3.55Å; V129-Q148 WeakPolarHBondContact CA-O 3.24Å; V129-Q148 HydrophobicContact CG2-CG 4.15Å; Y130-Q148 PolarHBondContact N-O 3.27Å; M140-Q148 HydrophobicContact SD-CB 3.76Å; G142-Q148 PolarHBondContact O-NE2 3.1Å; G142-Q148 PolarHBondContact O-OE1 3.11Å |
| 149 | P | 93.5 | Very high | 93 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 14% | 0.136 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 145.9 | -179.7 | 32.5 | -36.3 | 0 | 0 | 0 | 111.4 | M49 Y130 Y138 | M49-P149 HydrophobicContact CE-CG 3.65Å; M49-P149 HydrophobicContact SD-CG 3.47Å; M49-P149 WeakPolarHBondContact SD-CG 3.07Å; Y130-P149 CarbonylContact O-C 3.55Å; Y130-P149 WeakPolarHBondContact O-CA 3.36Å; Y138-P149 HydrophobicContact CE2-CB 4.15Å; Y138-P149 HydrophobicContact CE2-CG 4.16Å |
| 150 | L | 96.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 109.2 | 163.8 | -172.2 | 166.4 | 0 | 0 | 0 | 106.6 | V129 Y130 V131 E132 Y138 L152 E165 L166 A169 | V129-L150 HydrophobicContact CG1-CB 3.59Å; V129-L150 HydrophobicContact CG1-CD1 4.02Å; V129-L150 HydrophobicContact CG1-CG 4.47Å; Y130-L150 PolarHBondContact O-N 3.46Å; V131-L150 WeakPolarHBondContact CA-O 3.28Å; V131-L150 HydrophobicContact CG1-CD2 4.35Å; V131-L150 HydrophobicContact CG2-CB 4.47Å; E132-L150 PolarHBondContact N-O 3.11Å; Y138-L150 CarbonylContact O-C 3.58Å; Y138-L150 WeakPolarHBondContact O-CA 3.35Å; L150-L152 HydrophobicContact CD2-CD1 3.74Å; L150-L152 HydrophobicContact CD2-CD2 3.89Å; L150-L152 HydrophobicContact CD2-CG 3.48Å; L150-L152 VanDerWaalsContact CD2-CG 3.48Å; L150-E165 HydrophobicContact CD1-CB 4.25Å; L150-E165 HydrophobicContact CD2-CB 3.89Å; L150-E165 HydrophobicContact CG-CB 4.12Å; L150-L166 HydrophobicContact CD1-CD2 3.73Å; L150-L166 HydrophobicContact CD1-CG 4.4Å; L150-A169 HydrophobicContact CD1-CB 4.27Å |
| 151 | S | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127 | -175.8 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | E132 D134 D135 G136 C137 Y138 | E132-S151 CarbonylContact O-C 3.58Å; E132-S151 WeakPolarHBondContact O-CA 3.02Å; D134-S151 PolarHBondContact N-OG 3.36Å; D135-S151 PolarHBondContact N-OG 3.08Å; G136-S151 PolarHBondContact O-OG 3.09Å; C137-S151 WeakPolarHBondContact CA-O 2.98Å; Y138-S151 VanDerWaalsContact CD1-CB 3.43Å; Y138-S151 PolarHBondContact N-O 2.9Å; Y138-S151 VanDerWaalsContact N-O 3.15Å; Y138-S151 PolarHBondContact O-N 3.41Å |
| 152 | L | 97.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 92.5 | 169.5 | -59.9 | 168.6 | 0 | 0 | 0 | 109.1 | Y94 I102 V131 E132 P133 L150 C156 M157 I162 E165 | Y94-L152 WeakPolarHBondContact CE1-O 3.4Å; Y94-L152 PolarHBondContact OH-O 3.36Å; I102-L152 HydrophobicContact CD1-CD1 4.26Å; I102-L152 HydrophobicContact CG1-CD1 4.09Å; V131-L152 HydrophobicContact CG1-CD1 3.8Å; V131-L152 HydrophobicContact CG1-CG 4.44Å; E132-L152 PolarHBondContact O-N 3.03Å; P133-L152 WeakPolarHBondContact CB-O 3.46Å; L150-L152 HydrophobicContact CD2-CD1 3.74Å; L150-L152 HydrophobicContact CD2-CD2 3.89Å; L150-L152 HydrophobicContact CD2-CG 3.48Å; L150-L152 VanDerWaalsContact CD2-CG 3.48Å; L152-C156 HydrophobicContact CB-CB 4.09Å; L152-C156 HydrophobicContact CD2-CB 3.83Å; L152-M157 HydrophobicContact CB-CE 3.57Å; L152-M157 WeakPolarHBondContact O-CE 3.44Å; L152-I162 HydrophobicContact CD1-CG1 4.11Å; L152-I162 HydrophobicContact CD1-CG2 4.03Å; L152-I162 HydrophobicContact CD2-CG1 4.24Å; L152-E165 HydrophobicContact CD2-CB 4.35Å; L152-E165 HydrophobicContact CD2-CG 3.94Å |
| 153 | T | 95.3 | Very high | 94 | Very high | 22 Ų | 22 | 25.9 Ų | 25.9 | 14% | 0.135 | 13% | 0.132 | C | C | . | . | trans | -73.8 | 175.4 | 170.1 | 59.6 | 0 | 0 | 0 | 0 | 111.6 | G136 D155 C156 | G136-T153 PolarHBondContact O-N 3.25Å; G136-T153 PolarHBondContact O-OG1 3.06Å; T153-D155 PolarHBondContact O-N 3.24Å; T153-D155 VanDerWaalsContact O-N 3.14Å; T153-C156 PolarHBondContact N-SG 2.68Å; T153-C156 VanDerWaalsContact N-SG 3.45Å; T153-C156 WeakPolarHBondContact O-CA 3.41Å; T153-C156 VanDerWaalsContact O-CB 3.28Å; T153-C156 WeakPolarHBondContact O-CB 3.4Å; T153-C156 PolarHBondContact O-N 3.26Å; T153-C156 PolarHBondContact OG1-SG 2.86Å; T153-C156 VanDerWaalsContact OG1-SG 3.4Å | ||
| 154 | Y | 94.6 | Very high | 94.2 | Very high | 184 Ų | 184 | 23.2 Ų | 23.2 | 72% | 0.722 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -56.3 | -33.6 | -176.1 | 79.9 | -85.2 | 0 | 0 | 0 | 113.3 | C156 M157 | Y154-C156 PolarHBondContact O-N 3.16Å; Y154-M157 PolarHBondContact O-N 3.1Å |
| 155 | D | 92.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 22 Ų | 22 | 31% | 0.31 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -69.7 | -21.1 | 176.8 | -75.2 | -46.2 | 0 | 0 | 0 | 112.7 | L43 T153 | L43-D155 HydrophobicContact CD1-CB 4.2Å; L43-D155 VanDerWaalsContact CD1-O 3.28Å; L43-D155 WeakPolarHBondContact CD1-O 3.4Å; L43-D155 HydrophobicContact CD2-CB 3.94Å; T153-D155 PolarHBondContact O-N 3.24Å; T153-D155 VanDerWaalsContact O-N 3.14Å |
| 156 | C | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -86.9 | -5.9 | -179.6 | -49 | 0 | 0 | 0 | 0 | 113.4 | G136 C137 L152 T153 Y154 E158 I161 | G136-C156 PolarHBondContact O-SG 2.91Å; C137-C156 WeakPolarHBondContact CA-SG 3.29Å; C137-C156 HydrophobicContact CB-CB 3.95Å; C137-C156 WeakPolarHBondContact CB-SG 3.23Å; C137-C156 PolarHBondContact N-SG 3.41Å; C137-C156 VanDerWaalsContact SG-CA 3.6Å; C137-C156 WeakPolarHBondContact SG-CB 3.36Å; C137-C156 CovalentContact SG-SG 2.03Å; C137-C156 PolarHBondContact SG-SG 3.23Å; L152-C156 HydrophobicContact CB-CB 4.09Å; L152-C156 HydrophobicContact CD2-CB 3.83Å; T153-C156 PolarHBondContact N-SG 2.68Å; T153-C156 VanDerWaalsContact N-SG 3.45Å; T153-C156 WeakPolarHBondContact O-CA 3.41Å; T153-C156 VanDerWaalsContact O-CB 3.28Å; T153-C156 WeakPolarHBondContact O-CB 3.4Å; T153-C156 PolarHBondContact O-N 3.26Å; T153-C156 PolarHBondContact OG1-SG 2.86Å; T153-C156 VanDerWaalsContact OG1-SG 3.4Å; Y154-C156 PolarHBondContact O-N 3.16Å; C156-E158 PolarHBondContact O-N 3.21Å; C156-I161 HydrophobicContact CB-CG2 4.07Å |
| 157 | M | 95.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 20.6 Ų | 20.6 | 11% | 0.108 | 10% | 0.101 | C | C | . | . | trans | -76.1 | 58.8 | -175.4 | -67.5 | -60 | 159.6 | 0 | 0 | 112.4 | Y94 D98 L101 I102 L152 Y154 I162 | Y94-M157 HydrophobicContact CD1-CE 3.66Å; Y94-M157 HydrophobicContact CE1-CE 3.14Å; D98-M157 HydrophobicContact CB-CE 4.1Å; D98-M157 HydrophobicContact CB-CG 4.3Å; D98-M157 HydrophobicContact CB-SD 3.73Å; L101-M157 HydrophobicContact CD1-CB 4.18Å; L101-M157 WeakPolarHBondContact CD1-O 3.35Å; I102-M157 HydrophobicContact CD1-CE 4.42Å; L152-M157 HydrophobicContact CB-CE 3.57Å; L152-M157 WeakPolarHBondContact O-CE 3.44Å; Y154-M157 PolarHBondContact O-N 3.1Å; M157-I162 HydrophobicContact SD-CD1 4.3Å | ||
| 158 | E | 93.3 | Very high | 95.7 | Very high | 39 Ų | 39 | 18.4 Ų | 18.4 | 18% | 0.182 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -132.4 | 134.4 | 176.7 | -59.9 | -161.5 | -103.5 | 0 | 0 | 109.5 | R39 K40 C156 G160 I161 I162 | R39-E158 IonicContact CZ-OE1 3.72Å; R39-E158 IonicContact NE-OE1 2.7Å; R39-E158 IonicContact NH2-OE1 3.43Å; R39-E158 PolarHBondContact NH2-OE1 2.86Å; R39-E158 IonicContact NH2-OE2 3.45Å; R39-E158 PolarHBondContact NH2-OE2 3.38Å; K40-E158 VanDerWaalsContact CE-OE1 3.31Å; K40-E158 WeakPolarHBondContact CE-OE1 3.47Å; K40-E158 WeakPolarHBondContact CE-OE2 3.35Å; K40-E158 WeakPolarHBondContact CG-OE1 3.22Å; K40-E158 IonicContact NZ-OE2 3.13Å; K40-E158 PolarHBondContact NZ-OE2 3.08Å; K40-E158 VanDerWaalsContact NZ-OE2 3.17Å; C156-E158 PolarHBondContact O-N 3.21Å; E158-G160 VanDerWaalsContact C-N 3.34Å; E158-G160 PolarHBondContact O-N 3.2Å; E158-G160 VanDerWaalsContact O-N 3.16Å; E158-I161 HydrophobicContact CB-CB 4.42Å; E158-I161 HydrophobicContact CB-CD1 4.07Å; E158-I161 HydrophobicContact CB-CG1 4.17Å; E158-I161 HydrophobicContact CG-CD1 4.32Å; E158-I161 PolarHBondContact O-N 3.06Å; E158-I162 WeakPolarHBondContact O-CG1 3.31Å; E158-I162 PolarHBondContact O-N 2.02Å |
| 159 | F | 94.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 18.3 Ų | 18.3 | 14% | 0.136 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -47.9 | -50.8 | -172 | 174.5 | -112.9 | 0 | 0 | 0 | 113.8 | R104 A105 E108 I161 I162 L163 | R104-F159 HydrophobicContact CB-CD2 4.37Å; R104-F159 HydrophobicContact CG-CD2 3.82Å; R104-F159 HydrophobicContact CG-CE2 3.76Å; A105-F159 HydrophobicContact CB-CD2 4.33Å; A105-F159 HydrophobicContact CB-CE2 4.46Å; E108-F159 HydrophobicContact CB-CE2 4.12Å; E108-F159 HydrophobicContact CB-CZ 4.01Å; E108-F159 HydrophobicContact CG-CE2 4.42Å; E108-F159 HydrophobicContact CG-CZ 3.82Å; F159-I161 PolarHBondContact O-N 3.2Å; F159-I162 PolarHBondContact O-N 2.95Å; F159-L163 HydrophobicContact CD1-CD1 4.09Å; F159-L163 HydrophobicContact CD2-CG 4.44Å; F159-L163 HydrophobicContact CE1-CD1 3.55Å; F159-L163 HydrophobicContact CE1-CG 4.46Å; F159-L163 HydrophobicContact CE2-CD1 4.02Å; F159-L163 HydrophobicContact CE2-CD2 4.32Å; F159-L163 HydrophobicContact CE2-CG 4.15Å; F159-L163 HydrophobicContact CZ-CD1 3.53Å; F159-L163 HydrophobicContact CZ-CD2 4.47Å; F159-L163 HydrophobicContact CZ-CG 4.18Å; F159-L163 WeakPolarHBondContact O-CG 3.14Å; F159-L163 PolarHBondContact O-N 3.14Å |
| 160 | G | 94.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -72.8 | -25 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | E158 H164 I220 R250 | E158-G160 VanDerWaalsContact C-N 3.34Å; E158-G160 PolarHBondContact O-N 3.2Å; E158-G160 VanDerWaalsContact O-N 3.16Å; G160-H164 WeakPolarHBondContact O-CB 3.19Å; G160-H164 PolarHBondContact O-N 3.31Å; G160-H164 VanDerWaalsContact O-N 3.09Å; G160-I220 WeakPolarHBondContact O-CD1 3.45Å; G160-R250 VanDerWaalsContact CA-O 3.32Å; G160-R250 WeakPolarHBondContact CA-O 3.44Å |
| 161 | I | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.8 | -46.7 | 172.7 | -62.8 | 179.1 | 0 | 0 | 0 | 108.7 | K40 L43 T44 C137 C156 E158 F159 L163 H164 E165 | K40-I161 HydrophobicContact CB-CD1 4.47Å; K40-I161 HydrophobicContact CG-CD1 4.19Å; L43-I161 HydrophobicContact CB-CD1 4.1Å; L43-I161 HydrophobicContact CD1-CD1 3.57Å; T44-I161 HydrophobicContact CG2-CG1 4.27Å; T44-I161 HydrophobicContact CG2-CG2 4.11Å; C137-I161 HydrophobicContact CB-CG2 4.05Å; C156-I161 HydrophobicContact CB-CG2 4.07Å; E158-I161 HydrophobicContact CB-CB 4.42Å; E158-I161 HydrophobicContact CB-CD1 4.07Å; E158-I161 HydrophobicContact CB-CG1 4.17Å; E158-I161 HydrophobicContact CG-CD1 4.32Å; E158-I161 PolarHBondContact O-N 3.06Å; F159-I161 PolarHBondContact O-N 3.2Å; I161-L163 VanDerWaalsContact C-N 3.3Å; I161-L163 PolarHBondContact O-N 3.01Å; I161-H164 WeakPolarHBondContact O-CA 3.39Å; I161-H164 VanDerWaalsContact O-CB 3.26Å; I161-H164 WeakPolarHBondContact O-CB 3.41Å; I161-H164 PolarHBondContact O-N 3.22Å; I161-E165 PolarHBondContact O-N 3.16Å |
| 162 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.7 | -56.4 | 170.1 | 0 | 0 | 0 | 110.5 | L101 I102 A105 L152 M157 E158 F159 H164 E165 L166 | L101-I162 HydrophobicContact CB-CD1 3.87Å; I102-I162 HydrophobicContact CG1-CD1 4.19Å; A105-I162 HydrophobicContact CB-CB 3.85Å; A105-I162 HydrophobicContact CB-CG2 3.41Å; A105-I162 VanDerWaalsContact CB-CG2 3.41Å; L152-I162 HydrophobicContact CD1-CG1 4.11Å; L152-I162 HydrophobicContact CD1-CG2 4.03Å; L152-I162 HydrophobicContact CD2-CG1 4.24Å; M157-I162 HydrophobicContact SD-CD1 4.3Å; E158-I162 WeakPolarHBondContact O-CG1 3.31Å; E158-I162 PolarHBondContact O-N 2.02Å; F159-I162 PolarHBondContact O-N 2.95Å; I162-H164 VanDerWaalsContact C-N 3.3Å; I162-H164 PolarHBondContact O-N 3.39Å; I162-E165 PolarHBondContact O-N 3.09Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.19Å; I162-L166 WeakPolarHBondContact O-CB 3.2Å; I162-L166 WeakPolarHBondContact O-CG 3.22Å; I162-L166 PolarHBondContact O-N 3.11Å |
| 163 | L | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.6 | -39.5 | 174 | -73.4 | -178.8 | 0 | 0 | 0 | 112.8 | A105 E108 F109 F159 I161 M167 I220 F253 | A105-L163 HydrophobicContact CB-CD2 3.87Å; A105-L163 HydrophobicContact CB-CG 4.24Å; A105-L163 VanDerWaalsContact O-CD2 3.31Å; A105-L163 WeakPolarHBondContact O-CD2 3.45Å; E108-L163 HydrophobicContact CB-CD2 3.95Å; E108-L163 HydrophobicContact CG-CD1 4.31Å; E108-L163 HydrophobicContact CG-CD2 4.13Å; F109-L163 HydrophobicContact CD2-CD2 3.98Å; F109-L163 HydrophobicContact CE2-CD2 3.77Å; F159-L163 HydrophobicContact CD1-CD1 4.09Å; F159-L163 HydrophobicContact CD2-CG 4.44Å; F159-L163 HydrophobicContact CE1-CD1 3.55Å; F159-L163 HydrophobicContact CE1-CG 4.46Å; F159-L163 HydrophobicContact CE2-CD1 4.02Å; F159-L163 HydrophobicContact CE2-CD2 4.32Å; F159-L163 HydrophobicContact CE2-CG 4.15Å; F159-L163 HydrophobicContact CZ-CD1 3.53Å; F159-L163 HydrophobicContact CZ-CD2 4.47Å; F159-L163 HydrophobicContact CZ-CG 4.18Å; F159-L163 WeakPolarHBondContact O-CG 3.14Å; F159-L163 PolarHBondContact O-N 3.14Å; I161-L163 VanDerWaalsContact C-N 3.3Å; I161-L163 PolarHBondContact O-N 3.01Å; L163-M167 WeakPolarHBondContact O-CB 3.42Å; L163-M167 PolarHBondContact O-N 2.91Å; L163-I220 HydrophobicContact CB-CD1 3.46Å; L163-I220 VanDerWaalsContact CB-CD1 3.46Å; L163-I220 HydrophobicContact CD1-CD1 4Å; L163-I220 HydrophobicContact CG-CD1 4.41Å; L163-F253 HydrophobicContact CB-CE1 4.45Å; L163-F253 HydrophobicContact CB-CZ 4.33Å; L163-F253 HydrophobicContact CD1-CD2 4.49Å; L163-F253 HydrophobicContact CD1-CE2 4.26Å; L163-F253 HydrophobicContact CD1-CZ 4.35Å; L163-F253 HydrophobicContact CD2-CE2 3.8Å; L163-F253 HydrophobicContact CD2-CZ 3.69Å; L163-F253 HydrophobicContact CG-CZ 4.35Å |
| 164 | H | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.6 | -52.7 | 177.4 | -170.9 | 98.5 | 0 | 0 | 0 | 111.2 | T44 D47 G160 I161 I162 L166 M167 H168 H174 I220 | T44-H164 HydrophobicContact CG2-CB 4.28Å; D47-H164 IonicContact OD2-CD2 3.49Å; D47-H164 PolarHBondContact OD2-CD2 3.2Å; D47-H164 IonicContact OD2-NE2 3.87Å; D47-H164 PolarHBondContact OD2-NE2 2.88Å; G160-H164 WeakPolarHBondContact O-CB 3.19Å; G160-H164 PolarHBondContact O-N 3.31Å; G160-H164 VanDerWaalsContact O-N 3.09Å; I161-H164 WeakPolarHBondContact O-CA 3.39Å; I161-H164 VanDerWaalsContact O-CB 3.26Å; I161-H164 WeakPolarHBondContact O-CB 3.41Å; I161-H164 PolarHBondContact O-N 3.22Å; I162-H164 VanDerWaalsContact C-N 3.3Å; I162-H164 PolarHBondContact O-N 3.39Å; H164-L166 PolarHBondContact O-N 3.1Å; H164-M167 WeakPolarHBondContact O-CB 3.28Å; H164-M167 PolarHBondContact O-N 3Å; H164-H168 AromaticContact CD2-CD2 3.6Å; H164-H168 AromaticContact CD2-NE2 3.46Å; H164-H168 PolarHBondContact CD2-NE2 3.38Å; H164-H168 AromaticContact NE2-CD2 3.78Å; H164-H168 AromaticContact NE2-CE1 3.96Å; H164-H168 AromaticContact NE2-NE2 3.1Å; H164-H168 PolarHBondContact NE2-NE2 2.93Å; H164-H168 VanDerWaalsContact NE2-NE2 3.1Å; H164-H168 PolarHBondContact O-N 3.32Å; H164-H174 AromaticContact CE1-CD2 3.65Å; H164-H174 AromaticContact CE1-NE2 3.86Å; H164-H174 AromaticContact NE2-CD2 3.47Å; H164-H174 PolarHBondContact NE2-CD2 3.34Å; H164-H174 AromaticContact NE2-NE2 3.24Å; H164-H174 PolarHBondContact NE2-NE2 3.29Å; H164-I220 PolarHBondContact CE1-O 3.33Å; H164-I220 PolarHBondContact ND1-O 3.32Å |
| 165 | E | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | -179.9 | -58 | -49.2 | 150.7 | 0 | 0 | 112.3 | C137 Y138 S139 L150 L152 I161 I162 M167 H168 A169 | C137-E165 HydrophobicContact CB-CG 4.35Å; Y138-E165 WeakPolarHBondContact CA-OE2 3.35Å; S139-E165 VanDerWaalsContact CB-O 3.31Å; S139-E165 WeakPolarHBondContact CB-O 3.24Å; S139-E165 PolarHBondContact N-OE2 3.04Å; S139-E165 VanDerWaalsContact N-OE2 3.11Å; S139-E165 PolarHBondContact OG-O 2.77Å; L150-E165 HydrophobicContact CD1-CB 4.25Å; L150-E165 HydrophobicContact CD2-CB 3.89Å; L150-E165 HydrophobicContact CG-CB 4.12Å; L152-E165 HydrophobicContact CD2-CB 4.35Å; L152-E165 HydrophobicContact CD2-CG 3.94Å; I161-E165 PolarHBondContact O-N 3.16Å; I162-E165 PolarHBondContact O-N 3.09Å; E165-M167 VanDerWaalsContact C-N 3.27Å; E165-M167 PolarHBondContact O-N 3.28Å; E165-H168 WeakPolarHBondContact O-CB 3.4Å; E165-H168 PolarHBondContact O-N 3.45Å; E165-H168 IonicContact OE2-CD2 2.63Å; E165-A169 PolarHBondContact O-N 3.36Å |
| 166 | L | 98.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.3 | -34 | 173.4 | -70.5 | 175.5 | 0 | 0 | 0 | 111.5 | A105 M106 F109 F117 L150 I162 H164 A169 V170 | A105-L166 HydrophobicContact CB-CD1 3.85Å; M106-L166 HydrophobicContact CE-CD2 4.25Å; M106-L166 HydrophobicContact CG-CD1 3.95Å; F109-L166 HydrophobicContact CD2-CB 4.4Å; F109-L166 HydrophobicContact CD2-CD1 4.36Å; F109-L166 HydrophobicContact CE2-CB 3.44Å; F109-L166 VanDerWaalsContact CE2-CB 3.44Å; F109-L166 HydrophobicContact CE2-CD1 4.03Å; F109-L166 HydrophobicContact CE2-CG 4.4Å; F109-L166 HydrophobicContact CZ-CB 3.82Å; F117-L166 HydrophobicContact CE1-CD2 3.71Å; F117-L166 HydrophobicContact CE2-CD1 4.47Å; F117-L166 HydrophobicContact CZ-CB 4.09Å; F117-L166 HydrophobicContact CZ-CD1 4.28Å; F117-L166 HydrophobicContact CZ-CD2 3.79Å; F117-L166 HydrophobicContact CZ-CG 4.27Å; L150-L166 HydrophobicContact CD1-CD2 3.73Å; L150-L166 HydrophobicContact CD1-CG 4.4Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.19Å; I162-L166 WeakPolarHBondContact O-CB 3.2Å; I162-L166 WeakPolarHBondContact O-CG 3.22Å; I162-L166 PolarHBondContact O-N 3.11Å; H164-L166 PolarHBondContact O-N 3.1Å; L166-A169 WeakPolarHBondContact O-CB 3.41Å; L166-A169 PolarHBondContact O-N 2.96Å; L166-V170 VanDerWaalsContact O-CG2 3.28Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 3.41Å |
| 167 | M | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -72.2 | -31.7 | 177.8 | -172.9 | 163.7 | 177.2 | 0 | 0 | 111.8 | F109 L163 H164 E165 V170 G171 F172 I220 M221 F253 D257 I261 | F109-M167 HydrophobicContact CE1-CB 4.47Å; F109-M167 HydrophobicContact CZ-CB 3.94Å; L163-M167 WeakPolarHBondContact O-CB 3.42Å; L163-M167 PolarHBondContact O-N 2.91Å; H164-M167 WeakPolarHBondContact O-CB 3.28Å; H164-M167 PolarHBondContact O-N 3Å; E165-M167 VanDerWaalsContact C-N 3.27Å; E165-M167 PolarHBondContact O-N 3.28Å; M167-V170 PolarHBondContact O-N 3.03Å; M167-G171 PolarHBondContact O-N 2.77Å; M167-F172 HydrophobicContact CE-CB 4.02Å; M167-F172 HydrophobicContact CE-CD1 3.83Å; M167-F172 HydrophobicContact CE-CD2 3.74Å; M167-F172 HydrophobicContact CE-CE1 4.32Å; M167-F172 HydrophobicContact CE-CE2 4.21Å; M167-F172 HydrophobicContact CE-CG 3.53Å; M167-F172 HydrophobicContact CE-CZ 4.49Å; M167-F172 HydrophobicContact CG-CB 3.86Å; M167-F172 HydrophobicContact CG-CD2 3.8Å; M167-F172 HydrophobicContact CG-CG 4.01Å; M167-F172 PolarHBondContact O-N 3.14Å; M167-F172 VanDerWaalsContact O-N 3.11Å; M167-I220 HydrophobicContact SD-CG2 3.57Å; M167-I220 VanDerWaalsContact SD-CG2 3.57Å; M167-M221 HydrophobicContact CB-CE 4.44Å; M167-M221 HydrophobicContact CB-SD 3.63Å; M167-M221 HydrophobicContact CE-CG 3.76Å; M167-M221 HydrophobicContact CG-CE 4.47Å; M167-M221 HydrophobicContact CG-CG 4Å; M167-M221 HydrophobicContact CG-SD 3.59Å; M167-M221 VanDerWaalsContact CG-SD 3.59Å; M167-M221 HydrophobicContact SD-CG 3.59Å; M167-M221 VanDerWaalsContact SD-CG 3.59Å; M167-M221 HydrophobicContact SD-SD 3.69Å; M167-M221 VanDerWaalsContact SD-SD 3.69Å; M167-F253 HydrophobicContact CB-CE1 4.48Å; M167-F253 HydrophobicContact SD-CD1 4.06Å; M167-F253 HydrophobicContact SD-CE1 3.74Å; M167-D257 HydrophobicContact CE-CB 3.88Å; M167-D257 HydrophobicContact SD-CB 4.23Å; M167-I261 HydrophobicContact CE-CD1 4.24Å; M167-I261 HydrophobicContact CE-CG1 4.22Å; M167-I261 HydrophobicContact SD-CD1 4.28Å |
| 168 | H | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.4 | -52.9 | 163.2 | -77.9 | -45.8 | 0 | 0 | 0 | 111.1 | D47 I48 M140 I141 G142 H164 E165 V170 G171 F172 H174 M221 | D47-H168 IonicContact OD1-NE2 3.52Å; D47-H168 IonicContact OD2-NE2 3.63Å; I48-H168 VanDerWaalsContact CD1-CE1 3.41Å; I48-H168 WeakPolarHBondContact CD1-CE1 3.37Å; M140-H168 CarbonylContact O-C 3.45Å; M140-H168 VanDerWaalsContact O-C 3.24Å; I141-H168 CarbonylContact C-O 3.57Å; I141-H168 VanDerWaalsContact CA-O 3.3Å; I141-H168 WeakPolarHBondContact CA-O 3.34Å; G142-H168 PolarHBondContact N-O 3.39Å; H164-H168 AromaticContact CD2-CD2 3.6Å; H164-H168 AromaticContact CD2-NE2 3.46Å; H164-H168 PolarHBondContact CD2-NE2 3.38Å; H164-H168 AromaticContact NE2-CD2 3.78Å; H164-H168 AromaticContact NE2-CE1 3.96Å; H164-H168 AromaticContact NE2-NE2 3.1Å; H164-H168 PolarHBondContact NE2-NE2 2.93Å; H164-H168 VanDerWaalsContact NE2-NE2 3.1Å; H164-H168 PolarHBondContact O-N 3.32Å; E165-H168 WeakPolarHBondContact O-CB 3.4Å; E165-H168 PolarHBondContact O-N 3.45Å; E165-H168 IonicContact OE2-CD2 2.63Å; H168-V170 PolarHBondContact O-N 3.49Å; H168-V170 VanDerWaalsContact O-N 3.16Å; H168-G171 WeakPolarHBondContact O-CA 3.31Å; H168-G171 PolarHBondContact O-N 3.41Å; H168-F172 PolarHBondContact ND1-O 3.4Å; H168-H174 AromaticContact CE1-CD2 3.52Å; H168-H174 AromaticContact CE1-CE1 3.95Å; H168-H174 AromaticContact CE1-NE2 3.33Å; H168-H174 PolarHBondContact CE1-NE2 3.35Å; H168-H174 VanDerWaalsContact CE1-NE2 3.33Å; H168-H174 AromaticContact NE2-CD2 3.64Å; H168-H174 AromaticContact NE2-CE1 3.88Å; H168-H174 AromaticContact NE2-NE2 3.08Å; H168-H174 PolarHBondContact NE2-NE2 2.03Å; H168-M221 WeakPolarHBondContact CE1-CE 3.26Å; H168-M221 WeakPolarHBondContact ND1-CE 3.43Å; H168-M221 WeakPolarHBondContact NE2-CE 3.48Å |
| 169 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.4 | -32.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W81 V129 S139 M140 G142 L150 E165 L166 G171 | W81-A169 PolarHBondContact NE1-O 2.8Å; V129-A169 HydrophobicContact CG2-CB 4.33Å; S139-A169 PolarHBondContact OG-N 3.08Å; M140-A169 WeakPolarHBondContact O-CA 3.5Å; M140-A169 PolarHBondContact O-N 3.27Å; G142-A169 CarbonylContact C-O 3.58Å; G142-A169 WeakPolarHBondContact CA-O 3.43Å; G142-A169 PolarHBondContact N-O 3.41Å; L150-A169 HydrophobicContact CD1-CB 4.27Å; E165-A169 PolarHBondContact O-N 3.36Å; L166-A169 WeakPolarHBondContact O-CB 3.41Å; L166-A169 PolarHBondContact O-N 2.96Å; A169-G171 VanDerWaalsContact C-N 3.3Å; A169-G171 PolarHBondContact O-N 3.11Å |
| 170 | V | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.1 | -28.3 | 173.9 | 168.2 | 0 | 0 | 0 | 0 | 112.6 | I86 F109 I115 F117 L166 M167 H168 F172 I261 Y265 | I86-V170 HydrophobicContact CD1-CG2 3.62Å; F109-V170 HydrophobicContact CD1-CG2 4.22Å; F109-V170 HydrophobicContact CE1-CG2 3.69Å; F109-V170 HydrophobicContact CZ-CG2 4.21Å; I115-V170 HydrophobicContact CD1-CG1 4.19Å; I115-V170 HydrophobicContact CG1-CG1 4.32Å; I115-V170 HydrophobicContact CG1-CG2 4.36Å; I115-V170 HydrophobicContact CG2-CG2 4.21Å; F117-V170 HydrophobicContact CZ-CG2 4.47Å; L166-V170 VanDerWaalsContact O-CG2 3.28Å; L166-V170 WeakPolarHBondContact O-CG2 3.21Å; L166-V170 PolarHBondContact O-N 3.41Å; M167-V170 PolarHBondContact O-N 3.03Å; H168-V170 PolarHBondContact O-N 3.49Å; H168-V170 VanDerWaalsContact O-N 3.16Å; V170-F172 HydrophobicContact CG1-CD2 4.05Å; V170-F172 HydrophobicContact CG1-CE2 3.9Å; V170-I261 HydrophobicContact CG1-CG1 4.47Å; V170-I261 HydrophobicContact CG1-CG2 4.26Å; V170-Y265 HydrophobicContact CG1-CD2 4.33Å; V170-Y265 HydrophobicContact CG1-CE2 3.58Å; V170-Y265 WeakPolarHBondContact O-CE2 3.23Å; V170-Y265 PolarHBondContact O-OH 2.91Å |
| 171 | G | 92.2 | Very high | 94.8 | Very high | 27 Ų | 27 | 9 Ų | 9 | 28% | 0.278 | 5% | 0.053 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 128.4 | 18 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M167 H168 A169 | M167-G171 PolarHBondContact O-N 2.77Å; H168-G171 WeakPolarHBondContact O-CA 3.31Å; H168-G171 PolarHBondContact O-N 3.41Å; A169-G171 VanDerWaalsContact C-N 3.3Å; A169-G171 PolarHBondContact O-N 3.11Å |
| 172 | F | 92.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 12 Ų | 12 | 11% | 0.114 | 7% | 0.069 | C | C | . | . | P | Polyproline II helix | trans | -99.9 | 135.3 | -179 | -72.2 | -86.2 | 0 | 0 | 0 | 112.4 | M167 H168 V170 M221 K260 I261 L264 | M167-F172 HydrophobicContact CE-CB 4.02Å; M167-F172 HydrophobicContact CE-CD1 3.83Å; M167-F172 HydrophobicContact CE-CD2 3.74Å; M167-F172 HydrophobicContact CE-CE1 4.32Å; M167-F172 HydrophobicContact CE-CE2 4.21Å; M167-F172 HydrophobicContact CE-CG 3.53Å; M167-F172 HydrophobicContact CE-CZ 4.49Å; M167-F172 HydrophobicContact CG-CB 3.86Å; M167-F172 HydrophobicContact CG-CD2 3.8Å; M167-F172 HydrophobicContact CG-CG 4.01Å; M167-F172 PolarHBondContact O-N 3.14Å; M167-F172 VanDerWaalsContact O-N 3.11Å; H168-F172 PolarHBondContact ND1-O 3.4Å; V170-F172 HydrophobicContact CG1-CD2 4.05Å; V170-F172 HydrophobicContact CG1-CE2 3.9Å; F172-M221 HydrophobicContact CB-CE 4.48Å; F172-M221 HydrophobicContact CB-CG 4.36Å; F172-K260 HydrophobicContact CE1-CB 3.61Å; F172-K260 HydrophobicContact CE1-CD 4.43Å; F172-K260 HydrophobicContact CE1-CG 4.44Å; F172-K260 HydrophobicContact CZ-CB 3.83Å; F172-I261 HydrophobicContact CD2-CG1 4.2Å; F172-I261 HydrophobicContact CE2-CB 4.23Å; F172-I261 HydrophobicContact CE2-CG1 3.47Å; F172-I261 VanDerWaalsContact CE2-CG1 3.47Å; F172-I261 HydrophobicContact CZ-CB 4.5Å; F172-I261 HydrophobicContact CZ-CG1 3.98Å; F172-L264 HydrophobicContact CD2-CD2 4.46Å; F172-L264 HydrophobicContact CE1-CD2 4.49Å; F172-L264 HydrophobicContact CE2-CD2 3.66Å; F172-L264 HydrophobicContact CZ-CB 4.16Å; F172-L264 HydrophobicContact CZ-CD2 3.67Å |
| 173 | I | 91.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 11% | 0.108 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 172.9 | 164.9 | 56.5 | 153.3 | 0 | 0 | 0 | 110.3 | A73 I141 Y203 V208 | A73-I173 HydrophobicContact CB-CG2 4.36Å; I141-I173 HydrophobicContact CD1-CG2 3.65Å; I173-Y203 HydrophobicContact CB-CD2 4.06Å; I173-Y203 HydrophobicContact CB-CE2 3.73Å; I173-Y203 HydrophobicContact CD1-CD2 3.52Å; I173-Y203 HydrophobicContact CD1-CE2 4.07Å; I173-Y203 HydrophobicContact CD1-CG 4.26Å; I173-Y203 HydrophobicContact CG1-CD2 4.38Å; I173-Y203 HydrophobicContact CG2-CD1 4.46Å; I173-Y203 HydrophobicContact CG2-CD2 3.77Å; I173-Y203 HydrophobicContact CG2-CE1 4.17Å; I173-Y203 HydrophobicContact CG2-CE2 3.42Å; I173-Y203 VanDerWaalsContact CG2-CE2 3.42Å; I173-Y203 HydrophobicContact CG2-CG 4.27Å; I173-V208 HydrophobicContact CD1-CB 4.2Å; I173-V208 HydrophobicContact CD1-CG1 3.76Å; I173-V208 HydrophobicContact CD1-CG2 4.08Å; I173-V208 HydrophobicContact CG1-CG1 4.14Å; I173-V208 HydrophobicContact CG2-CG1 4.07Å |
| 174 | H | 94.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 145.2 | 166.9 | -58.6 | 127.7 | 0 | 0 | 0 | 113.1 | D47 H164 H168 H176 S177 M221 Y223 | D47-H174 IonicContact OD1-CE1 3.34Å; D47-H174 PolarHBondContact OD1-CE1 3.4Å; D47-H174 IonicContact OD1-NE2 3.79Å; D47-H174 PolarHBondContact OD1-NE2 3.45Å; D47-H174 IonicContact OD2-NE2 2.82Å; H164-H174 AromaticContact CE1-CD2 3.65Å; H164-H174 AromaticContact CE1-NE2 3.86Å; H164-H174 AromaticContact NE2-CD2 3.47Å; H164-H174 PolarHBondContact NE2-CD2 3.34Å; H164-H174 AromaticContact NE2-NE2 3.24Å; H164-H174 PolarHBondContact NE2-NE2 3.29Å; H168-H174 AromaticContact CE1-CD2 3.52Å; H168-H174 AromaticContact CE1-CE1 3.95Å; H168-H174 AromaticContact CE1-NE2 3.33Å; H168-H174 PolarHBondContact CE1-NE2 3.35Å; H168-H174 VanDerWaalsContact CE1-NE2 3.33Å; H168-H174 AromaticContact NE2-CD2 3.64Å; H168-H174 AromaticContact NE2-CE1 3.88Å; H168-H174 AromaticContact NE2-NE2 3.08Å; H168-H174 PolarHBondContact NE2-NE2 2.03Å; H174-H176 VanDerWaalsContact C-N 3.31Å; H174-H176 WeakPolarHBondContact CB-CE1 3.33Å; H174-H176 WeakPolarHBondContact CB-ND1 3.37Å; H174-H176 AromaticContact CG-CE1 3.71Å; H174-H176 AromaticContact ND1-CE1 3.73Å; H174-H176 PolarHBondContact O-N 2.87Å; H174-S177 PolarHBondContact O-N 2.89Å; H174-M221 CarbonylContact C-O 3.52Å; H174-M221 WeakPolarHBondContact CA-O 3.36Å; H174-M221 WeakPolarHBondContact CB-O 3.49Å; H174-Y223 AromaticContact CD2-CE1 3.71Å; H174-Y223 AromaticContact CE1-CE1 3.31Å; H174-Y223 WeakPolarHBondContact CE1-CE1 3.2Å; H174-Y223 AromaticContact CE1-CZ 3.52Å; H174-Y223 PolarHBondContact CE1-OH 3.13Å; H174-Y223 AromaticContact CG-CE1 3.74Å; H174-Y223 AromaticContact ND1-CE1 3.52Å; H174-Y223 AromaticContact ND1-CZ 3.59Å; H174-Y223 PolarHBondContact ND1-OH 3.02Å; H174-Y223 AromaticContact NE2-CE1 3.44Å; H174-Y223 WeakPolarHBondContact NE2-CE1 3.41Å |
| 175 | E | 95.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 21 Ų | 21 | 5% | 0.051 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -66.6 | -32.4 | -177.9 | -169.1 | 75.1 | 172.5 | 0 | 0 | 111.9 | S177 R178 Y215 D216 M221 H222 K260 | E175-S177 PolarHBondContact O-N 2.88Å; E175-R178 VanDerWaalsContact CD-CD 3.44Å; E175-R178 WeakPolarHBondContact O-CD 3.23Å; E175-R178 VanDerWaalsContact O-CG 3.27Å; E175-R178 WeakPolarHBondContact O-CG 3.41Å; E175-R178 PolarHBondContact O-N 3.42Å; E175-R178 IonicContact OE1-NH1 2.73Å; E175-Y215 HydrophobicContact CG-CD2 4.4Å; E175-Y215 HydrophobicContact CG-CE1 4.37Å; E175-Y215 HydrophobicContact CG-CE2 4.07Å; E175-Y215 WeakPolarHBondContact O-CE2 3.33Å; E175-Y215 PolarHBondContact O-OH 1.99Å; E175-D216 PolarHBondContact OE1-N 2.84Å; E175-M221 PolarHBondContact N-O 3.11Å; E175-H222 HydrophobicContact CB-CB 4.03Å; E175-K260 IonicContact OE1-NZ 3.89Å; E175-K260 PolarHBondContact OE1-NZ 2.99Å; E175-K260 IonicContact OE2-NZ 3.21Å; E175-K260 PolarHBondContact OE2-NZ 2.81Å |
| 176 | H | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -74.8 | -1.9 | 174.4 | 77.2 | -76.4 | 0 | 0 | 0 | 113.7 | H174 R181 E199 Y215 Y223 I236 | H174-H176 VanDerWaalsContact C-N 3.31Å; H174-H176 WeakPolarHBondContact CB-CE1 3.33Å; H174-H176 WeakPolarHBondContact CB-ND1 3.37Å; H174-H176 AromaticContact CG-CE1 3.71Å; H174-H176 AromaticContact ND1-CE1 3.73Å; H174-H176 PolarHBondContact O-N 2.87Å; H176-R181 WeakPolarHBondContact O-CD 3.33Å; H176-R181 PolarHBondContact O-NH1 3.31Å; H176-R181 VanDerWaalsContact O-NH1 3.1Å; H176-E199 PolarHBondContact NE2-O 2.98Å; H176-Y215 WeakPolarHBondContact CA-OH 3.38Å; H176-Y223 AromaticContact CE1-CD1 3.64Å; H176-Y223 AromaticContact CE1-CD2 3.1Å; H176-Y223 WeakPolarHBondContact CE1-CD2 3.35Å; H176-Y223 AromaticContact CE1-CE1 3.78Å; H176-Y223 AromaticContact CE1-CE2 3.23Å; H176-Y223 WeakPolarHBondContact CE1-CE2 3.11Å; H176-Y223 AromaticContact CE1-CG 3.31Å; H176-Y223 AromaticContact CE1-CZ 3.58Å; H176-Y223 AromaticContact ND1-CD1 3.92Å; H176-Y223 AromaticContact ND1-CD2 3.67Å; H176-Y223 AromaticContact ND1-CG 3.5Å; H176-Y223 AromaticContact NE2-CD2 3.41Å; H176-Y223 WeakPolarHBondContact NE2-CD2 3.13Å; H176-Y223 AromaticContact NE2-CE2 3.44Å; H176-Y223 WeakPolarHBondContact NE2-CE2 3.45Å; H176-I236 HydrophobicContact CB-CD1 4.08Å |
| 177 | S | 92.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -101.1 | 2.1 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 112.6 | H174 E175 K202 Y203 | H174-S177 PolarHBondContact O-N 2.89Å; E175-S177 PolarHBondContact O-N 2.88Å; S177-K202 WeakPolarHBondContact O-CA 3.47Å; S177-Y203 PolarHBondContact O-N 2.89Å |
| 178 | R | 91.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 27 Ų | 27 | 3% | 0.034 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -57.1 | 148 | 174.9 | -71.5 | 172 | 57.6 | 112.9 | -8.4 | 112.8 | E175 D180 R181 K202 N210 F213 | E175-R178 VanDerWaalsContact CD-CD 3.44Å; E175-R178 WeakPolarHBondContact O-CD 3.23Å; E175-R178 VanDerWaalsContact O-CG 3.27Å; E175-R178 WeakPolarHBondContact O-CG 3.41Å; E175-R178 PolarHBondContact O-N 3.42Å; E175-R178 IonicContact OE1-NH1 2.73Å; R178-D180 VanDerWaalsContact CB-OD1 3.31Å; R178-D180 WeakPolarHBondContact CB-OD1 3.42Å; R178-D180 IonicContact CZ-OD1 2.69Å; R178-D180 IonicContact CZ-OD2 2.9Å; R178-D180 IonicContact NE-OD1 3.95Å; R178-D180 PolarHBondContact NE-OD1 2.84Å; R178-D180 IonicContact NE-OD2 3.17Å; R178-D180 IonicContact NH2-OD1 2.62Å; R178-D180 PolarHBondContact NH2-OD1 3.2Å; R178-D180 IonicContact NH2-OD2 3.52Å; R178-D180 PolarHBondContact NH2-OD2 3.04Å; R178-D180 PolarHBondContact O-N 3.3Å; R178-R181 HydrophobicContact CB-CB 4.5Å; R178-R181 WeakPolarHBondContact O-CB 3.36Å; R178-R181 PolarHBondContact O-N 3.08Å; R178-K202 WeakPolarHBondContact O-CD 3.23Å; R178-N210 VanDerWaalsContact CZ-OD1 3.28Å; R178-N210 PolarHBondContact NE-OD1 2.93Å; R178-N210 VanDerWaalsContact NH2-CB 3.35Å; R178-N210 PolarHBondContact NH2-ND2 3.39Å; R178-N210 VanDerWaalsContact NH2-ND2 3.18Å; R178-F213 PolarHBondContact NH2-O 2.68Å |
| 179 | T | 89.6 | Confident | 94.9 | Very high | 40 Ų | 40 | 33 Ų | 33 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -35.6 | 176.3 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | K202 Y203 V208 N210 | T179-K202 PolarHBondContact O-NZ 3.4Å; T179-Y203 WeakPolarHBondContact CG2-O 3.44Å; T179-V208 HydrophobicContact CG2-CG2 3.89Å; T179-N210 PolarHBondContact OG1-ND2 3.11Å |
| 180 | D | 93 | Very high | 95 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.3 | -175.5 | 68.3 | -15.4 | 0 | 0 | 0 | 114.3 | R178 D182 Q183 Y184 N210 | R178-D180 VanDerWaalsContact CB-OD1 3.31Å; R178-D180 WeakPolarHBondContact CB-OD1 3.42Å; R178-D180 IonicContact CZ-OD1 2.69Å; R178-D180 IonicContact CZ-OD2 2.9Å; R178-D180 IonicContact NE-OD1 3.95Å; R178-D180 PolarHBondContact NE-OD1 2.84Å; R178-D180 IonicContact NE-OD2 3.17Å; R178-D180 IonicContact NH2-OD1 2.62Å; R178-D180 PolarHBondContact NH2-OD1 3.2Å; R178-D180 IonicContact NH2-OD2 3.52Å; R178-D180 PolarHBondContact NH2-OD2 3.04Å; R178-D180 PolarHBondContact O-N 3.3Å; D180-D182 PolarHBondContact O-N 3.37Å; D180-Q183 WeakPolarHBondContact O-CB 3.47Å; D180-Q183 PolarHBondContact O-N 2.9Å; D180-Y184 HydrophobicContact CB-CE2 4.46Å; D180-Y184 WeakPolarHBondContact O-CD2 3.42Å; D180-N210 PolarHBondContact OD1-ND2 3.25Å; D180-N210 PolarHBondContact OD2-ND2 3.46Å |
| 181 | R | 95 | Very high | 95.1 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -52 | -33.6 | -173 | 81.7 | -177.5 | 178.8 | -150.6 | -0.7 | 113.5 | H176 R178 Q183 Y184 V185 F200 E201 K202 Y215 | H176-R181 WeakPolarHBondContact O-CD 3.33Å; H176-R181 PolarHBondContact O-NH1 3.31Å; H176-R181 VanDerWaalsContact O-NH1 3.1Å; R178-R181 HydrophobicContact CB-CB 4.5Å; R178-R181 WeakPolarHBondContact O-CB 3.36Å; R178-R181 PolarHBondContact O-N 3.08Å; R181-Q183 PolarHBondContact O-N 3.09Å; R181-Y184 WeakPolarHBondContact O-CA 3.28Å; R181-Y184 PolarHBondContact O-N 2.86Å; R181-V185 HydrophobicContact CB-CG2 4.02Å; R181-V185 HydrophobicContact CG-CG2 4.15Å; R181-V185 WeakPolarHBondContact O-CG2 3.3Å; R181-V185 PolarHBondContact O-N 2.86Å; R181-F200 PolarHBondContact NH1-O 3.03Å; R181-F200 PolarHBondContact NH2-O 2.56Å; R181-E201 PolarHBondContact NH1-O 3.11Å; R181-K202 HydrophobicContact CG-CD 3.99Å; R181-K202 HydrophobicContact CG-CG 4.36Å; R181-Y215 HydrophobicContact CB-CE2 3.84Å |
| 182 | D | 96.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 34% | 0.342 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -70.6 | -8.1 | -171.7 | -61.2 | -36.6 | 0 | 0 | 0 | 110.7 | D180 K202 K239 | D180-D182 PolarHBondContact O-N 3.37Å; D182-K202 WeakPolarHBondContact OD2-CE 3.33Å; D182-K202 IonicContact OD2-NZ 3.74Å; D182-K202 PolarHBondContact OD2-NZ 3.19Å; D182-K239 WeakPolarHBondContact O-CE 3.47Å; D182-K239 PolarHBondContact O-NZ 2.86Å |
| 183 | Q | 96.7 | Very high | 95.2 | Very high | 135 Ų | 135 | 41.8 Ų | 41.8 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -78.8 | -19.6 | 167.7 | -61.4 | -179.7 | -39 | 0 | 0 | 112.9 | D180 R181 K239 | D180-Q183 WeakPolarHBondContact O-CB 3.47Å; D180-Q183 PolarHBondContact O-N 2.9Å; R181-Q183 PolarHBondContact O-N 3.09Å; Q183-K239 WeakPolarHBondContact O-CD 3.49Å |
| 184 | Y | 97.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 50.9 Ų | 50.9 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -33.9 | -170 | -59.5 | -84.9 | 0 | 0 | 0 | 113.3 | D180 R181 Y215 Y217 K239 | D180-Y184 HydrophobicContact CB-CE2 4.46Å; D180-Y184 WeakPolarHBondContact O-CD2 3.42Å; R181-Y184 WeakPolarHBondContact O-CA 3.28Å; R181-Y184 PolarHBondContact O-N 2.86Å; Y184-Y215 VanDerWaalsContact CD1-CB 3.42Å; Y184-Y215 HydrophobicContact CD1-CD1 4.28Å; Y184-Y215 AromaticContact CD1-CG 3.96Å; Y184-Y215 HydrophobicContact CD1-CG 3.96Å; Y184-Y215 VanDerWaalsContact CD2-CB 3.47Å; Y184-Y215 HydrophobicContact CD2-CD1 4.47Å; Y184-Y215 AromaticContact CD2-CD2 3.68Å; Y184-Y215 HydrophobicContact CD2-CD2 3.68Å; Y184-Y215 AromaticContact CD2-CG 3.64Å; Y184-Y215 HydrophobicContact CD2-CG 3.64Å; Y184-Y215 HydrophobicContact CE1-CG 4.5Å; Y184-Y215 HydrophobicContact CE2-CD2 4.32Å; Y184-Y215 HydrophobicContact CE2-CG 4.24Å; Y184-Y215 AromaticContact CG-CD1 3.89Å; Y184-Y215 HydrophobicContact CG-CD1 3.89Å; Y184-Y215 AromaticContact CG-CD2 3.95Å; Y184-Y215 HydrophobicContact CG-CD2 3.95Å; Y184-Y215 AromaticContact CG-CG 3.47Å; Y184-Y215 HydrophobicContact CG-CG 3.47Å; Y184-Y215 VanDerWaalsContact CG-CG 3.47Å; Y184-Y217 WeakPolarHBondContact CA-OH 3.25Å; Y184-Y217 WeakPolarHBondContact CB-OH 3.47Å; Y184-Y217 PolarHBondContact O-OH 3.44Å; Y184-K239 WeakPolarHBondContact O-CB 3.46Å; Y184-K239 PolarHBondContact O-N 3.15Å |
| 185 | V | 97.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.8 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | R181 I187 Y215 Y217 I236 E237 M247 | R181-V185 HydrophobicContact CB-CG2 4.02Å; R181-V185 HydrophobicContact CG-CG2 4.15Å; R181-V185 WeakPolarHBondContact O-CG2 3.3Å; R181-V185 PolarHBondContact O-N 2.86Å; V185-I187 HydrophobicContact CG2-CD1 4.49Å; V185-Y215 HydrophobicContact CG1-CE1 4.08Å; V185-Y217 HydrophobicContact CG1-CD1 4.4Å; V185-Y217 HydrophobicContact CG1-CE1 3.8Å; V185-I236 HydrophobicContact CB-CG2 3.71Å; V185-I236 HydrophobicContact CG1-CG2 3.77Å; V185-I236 HydrophobicContact CG2-CG2 4.17Å; V185-E237 CarbonylContact C-O 3.44Å; V185-E237 WeakPolarHBondContact CA-O 3.19Å; V185-M247 HydrophobicContact CG1-SD 4.41Å |
| 186 | K | 97.9 | Very high | 94.5 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.7 | 171.1 | -178 | -176.3 | 176.7 | -179.2 | 0 | 108.6 | I188 E237 | K186-I188 HydrophobicContact CB-CD1 4.41Å; K186-I188 HydrophobicContact CD-CD1 3.68Å; K186-I188 HydrophobicContact CG-CD1 3.77Å; K186-E237 HydrophobicContact CB-CB 4.45Å; K186-E237 PolarHBondContact N-O 2.93Å; K186-E237 PolarHBondContact O-N 2.73Å |
| 187 | I | 98 | Very high | 94.3 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 123 | 171.7 | -53 | -51 | 0 | 0 | 0 | 109.2 | V185 W189 I192 F200 T235 I236 | V185-I187 HydrophobicContact CG2-CD1 4.49Å; I187-W189 HydrophobicContact CB-CZ2 4.24Å; I187-W189 HydrophobicContact CG2-CD2 3.82Å; I187-W189 HydrophobicContact CG2-CE3 4.14Å; I187-W189 HydrophobicContact CG2-CG 4.29Å; I187-W189 HydrophobicContact CG2-CH2 4.26Å; I187-W189 HydrophobicContact CG2-CZ2 3.95Å; I187-W189 HydrophobicContact CG2-CZ3 4.35Å; I187-W189 PolarHBondContact O-N 3.44Å; I187-I192 HydrophobicContact CG2-CD1 3.62Å; I187-F200 HydrophobicContact CD1-CD1 3.96Å; I187-F200 HydrophobicContact CG2-CB 4.08Å; I187-F200 HydrophobicContact CG2-CD1 4.12Å; I187-F200 HydrophobicContact CG2-CG 4.2Å; I187-T235 CarbonylContact C-O 3.47Å; I187-T235 WeakPolarHBondContact CA-O 3.32Å; I187-I236 HydrophobicContact CD1-CG1 4.05Å; I187-I236 HydrophobicContact CD1-CG2 4.44Å |
| 188 | I | 97.7 | Very high | 94 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | trans | -96.3 | 76.3 | 179.9 | -46.6 | -60.6 | 0 | 0 | 0 | 108.8 | K186 R190 N191 T235 E237 | K186-I188 HydrophobicContact CB-CD1 4.41Å; K186-I188 HydrophobicContact CD-CD1 3.68Å; K186-I188 HydrophobicContact CG-CD1 3.77Å; I188-R190 HydrophobicContact CG2-CG 3.79Å; I188-R190 PolarHBondContact O-N 3.28Å; I188-N191 HydrophobicContact CB-CB 4.48Å; I188-N191 HydrophobicContact CG2-CB 4.26Å; I188-N191 WeakPolarHBondContact CG2-ND2 3.4Å; I188-N191 WeakPolarHBondContact O-CB 3.41Å; I188-N191 PolarHBondContact O-N 2.86Å; I188-T235 PolarHBondContact N-O 3.45Å; I188-E237 HydrophobicContact CD1-CG 4.05Å; I188-E237 HydrophobicContact CG1-CG 3.84Å | ||
| 189 | W | 97.3 | Very high | 93.8 | Very high | 125 Ų | 125 | 58.7 Ų | 58.7 | 47% | 0.473 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -48.4 | -38.1 | -174.5 | -61.5 | 101.5 | 0 | 0 | 0 | 114.8 | I187 N191 I192 E197 F200 | I187-W189 HydrophobicContact CB-CZ2 4.24Å; I187-W189 HydrophobicContact CG2-CD2 3.82Å; I187-W189 HydrophobicContact CG2-CE3 4.14Å; I187-W189 HydrophobicContact CG2-CG 4.29Å; I187-W189 HydrophobicContact CG2-CH2 4.26Å; I187-W189 HydrophobicContact CG2-CZ2 3.95Å; I187-W189 HydrophobicContact CG2-CZ3 4.35Å; I187-W189 PolarHBondContact O-N 3.44Å; W189-N191 PolarHBondContact O-N 3.48Å; W189-N191 VanDerWaalsContact O-N 3.09Å; W189-I192 HydrophobicContact CD2-CD1 4.4Å; W189-I192 HydrophobicContact CE3-CD1 3.76Å; W189-I192 HydrophobicContact CZ3-CD1 4.17Å; W189-I192 PolarHBondContact O-N 3.41Å; W189-I192 VanDerWaalsContact O-N 3.13Å; W189-E197 HydrophobicContact CE3-CB 4.37Å; W189-E197 HydrophobicContact CE3-CG 4.34Å; W189-E197 HydrophobicContact CZ3-CB 4.02Å; W189-E197 HydrophobicContact CZ3-CG 4.49Å; W189-F200 HydrophobicContact CH2-CB 4.07Å; W189-F200 HydrophobicContact CZ3-CB 4.14Å |
| 190 | R | 97.5 | Very high | 93.9 | Very high | 160 Ų | 160 | 56.8 Ų | 56.8 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -64.6 | -11.4 | 177 | 66.8 | 167.5 | -177.7 | -101.5 | -4.3 | 115 | I188 R230 | I188-R190 HydrophobicContact CG2-CG 3.79Å; I188-R190 PolarHBondContact O-N 3.28Å; R190-R230 PolarHBondContact O-NE 2.95Å; R190-R230 PolarHBondContact O-NH2 3.18Å |
| 191 | N | 97.6 | Very high | 93.7 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -102.1 | -8.1 | 178.2 | -68.1 | -13.9 | 0 | 0 | 0 | 112.1 | I188 W189 S229 R230 N231 R233 P234 T235 | I188-N191 HydrophobicContact CB-CB 4.48Å; I188-N191 HydrophobicContact CG2-CB 4.26Å; I188-N191 WeakPolarHBondContact CG2-ND2 3.4Å; I188-N191 WeakPolarHBondContact O-CB 3.41Å; I188-N191 PolarHBondContact O-N 2.86Å; W189-N191 PolarHBondContact O-N 3.48Å; W189-N191 VanDerWaalsContact O-N 3.09Å; N191-S229 CarbonylContact O-C 3.5Å; N191-S229 WeakPolarHBondContact O-CA 3.37Å; N191-R230 WeakPolarHBondContact O-CG 2.96Å; N191-R230 PolarHBondContact O-N 3.25Å; N191-N231 PolarHBondContact OD1-ND2 2.86Å; N191-R233 WeakPolarHBondContact ND2-CB 3.4Å; N191-P234 PolarHBondContact ND2-O 3.08Å; N191-T235 HydrophobicContact CB-CG2 4.11Å |
| 192 | I | 94.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 140.1 | -178.9 | -66.3 | 173.3 | 0 | 0 | 0 | 110.4 | I187 W189 R194 T196 E197 F200 F228 R230 T235 | I187-I192 HydrophobicContact CG2-CD1 3.62Å; W189-I192 HydrophobicContact CD2-CD1 4.4Å; W189-I192 HydrophobicContact CE3-CD1 3.76Å; W189-I192 HydrophobicContact CZ3-CD1 4.17Å; W189-I192 PolarHBondContact O-N 3.41Å; W189-I192 VanDerWaalsContact O-N 3.13Å; I192-R194 PolarHBondContact O-N 3.46Å; I192-T196 WeakPolarHBondContact CG2-OG1 3.3Å; I192-E197 HydrophobicContact CG2-CG 4.22Å; I192-F200 HydrophobicContact CD1-CB 4.27Å; I192-F200 HydrophobicContact CD1-CD1 4.2Å; I192-F200 HydrophobicContact CD1-CD2 3.37Å; I192-F200 HydrophobicContact CD1-CE1 4.39Å; I192-F200 HydrophobicContact CD1-CE2 3.6Å; I192-F200 HydrophobicContact CD1-CG 3.69Å; I192-F200 HydrophobicContact CD1-CZ 4.11Å; I192-F200 HydrophobicContact CG1-CD2 4.09Å; I192-F200 HydrophobicContact CG1-CE2 3.79Å; I192-F200 HydrophobicContact CG1-CZ 4.15Å; I192-F200 HydrophobicContact CG2-CD2 4.23Å; I192-F200 HydrophobicContact CG2-CE2 3.96Å; I192-F228 WeakPolarHBondContact CA-O 3.06Å; I192-R230 WeakPolarHBondContact O-CD 3.2Å; I192-T235 HydrophobicContact CG1-CG2 3.76Å |
| 193 | I | 92.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 129.4 | 172.8 | -67.5 | 162.7 | 0 | 0 | 0 | 109.3 | G195 T196 F228 R230 | I193-G195 PolarHBondContact O-N 3.44Å; I193-T196 HydrophobicContact CB-CG2 3.91Å; I193-T196 HydrophobicContact CG2-CG2 3.94Å; I193-T196 WeakPolarHBondContact O-CB 2.98Å; I193-T196 PolarHBondContact O-N 3.42Å; I193-T196 PolarHBondContact O-OG1 3.45Å; I193-F228 WeakPolarHBondContact CG1-O 3.39Å; I193-F228 PolarHBondContact N-O 3.44Å; I193-R230 HydrophobicContact CB-CB 4.49Å; I193-R230 HydrophobicContact CG1-CB 3.79Å |
| 194 | R | 91.5 | Very high | 91.8 | Very high | 211 Ų | 211 | 58.6 Ų | 58.6 | 80% | 0.796 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129.5 | -179.4 | -63.7 | -175.6 | 77.4 | 175.9 | 3.1 | 110.2 | I192 | I192-R194 PolarHBondContact O-N 3.46Š|
| 195 | G | 88.3 | Confident | 90.8 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F54 I193 E197 | F54-G195 WeakPolarHBondContact CE2-O 3.44Å; F54-G195 WeakPolarHBondContact CZ-O 2.93Å; I193-G195 PolarHBondContact O-N 3.44Å; G195-E197 VanDerWaalsContact C-OE2 3.32Å; G195-E197 WeakPolarHBondContact CA-OE2 3.43Å; G195-E197 PolarHBondContact N-OE2 2.94Å |
| 196 | T | 87.2 | Confident | 89.6 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | trans | -106.5 | 6.1 | 175.8 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | F54 I192 I193 T198 E199 F228 | F54-T196 HydrophobicContact CD2-CG2 4.44Å; F54-T196 HydrophobicContact CE1-CG2 3.89Å; F54-T196 HydrophobicContact CE2-CG2 3.38Å; F54-T196 HydrophobicContact CZ-CG2 3.06Å; I192-T196 WeakPolarHBondContact CG2-OG1 3.3Å; I193-T196 HydrophobicContact CB-CG2 3.91Å; I193-T196 HydrophobicContact CG2-CG2 3.94Å; I193-T196 WeakPolarHBondContact O-CB 2.98Å; I193-T196 PolarHBondContact O-N 3.42Å; I193-T196 PolarHBondContact O-OG1 3.45Å; T196-T198 PolarHBondContact O-N 3.02Å; T196-T198 VanDerWaalsContact O-N 3.16Å; T196-E199 VanDerWaalsContact O-CB 3.31Å; T196-E199 WeakPolarHBondContact O-CB 3.08Å; T196-E199 WeakPolarHBondContact O-CG 3.24Å; T196-E199 PolarHBondContact O-N 3.3Å; T196-F228 HydrophobicContact CG2-CD1 3.58Å; T196-F228 HydrophobicContact CG2-CE1 4.1Å; T196-F228 HydrophobicContact CG2-CG 4.34Å | ||
| 197 | E | 89.5 | Confident | 88.2 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -59.9 | -30.7 | -174.4 | -65.9 | 86.7 | 166.9 | 0 | 0 | 112.9 | W189 I192 G195 E199 F200 | W189-E197 HydrophobicContact CE3-CB 4.37Å; W189-E197 HydrophobicContact CE3-CG 4.34Å; W189-E197 HydrophobicContact CZ3-CB 4.02Å; W189-E197 HydrophobicContact CZ3-CG 4.49Å; I192-E197 HydrophobicContact CG2-CG 4.22Å; G195-E197 VanDerWaalsContact C-OE2 3.32Å; G195-E197 WeakPolarHBondContact CA-OE2 3.43Å; G195-E197 PolarHBondContact N-OE2 2.94Å; E197-E199 PolarHBondContact O-N 3.41Å; E197-F200 PolarHBondContact O-N 3.37Å; E197-F200 VanDerWaalsContact O-N 3.1Å |
| 198 | T | 86.2 | Confident | 87.2 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61 | -26.4 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | P53 T196 F200 E201 | P53-T198 WeakPolarHBondContact CD-OG1 3.43Å; P53-T198 HydrophobicContact CG-CG2 4.3Å; P53-T198 WeakPolarHBondContact CG-OG1 2.96Å; T196-T198 PolarHBondContact O-N 3.02Å; T196-T198 VanDerWaalsContact O-N 3.16Å; T198-F200 PolarHBondContact O-N 3.11Å; T198-F200 VanDerWaalsContact O-N 3.14Å; T198-E201 WeakPolarHBondContact O-CB 3.45Å; T198-E201 PolarHBondContact O-N 2.79Å; T198-E201 VanDerWaalsContact O-N 3.08Å |
| 199 | E | 87.4 | Confident | 86.2 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 9% | 0.093 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -67.7 | -11.4 | 177.3 | -57.3 | -59.9 | 147.8 | 0 | 0 | 113.2 | G46 S52 F54 H176 T196 E197 F228 | G46-E199 VanDerWaalsContact CA-OE2 3.23Å; G46-E199 WeakPolarHBondContact CA-OE2 3.5Å; S52-E199 WeakPolarHBondContact CA-OE1 3.11Å; S52-E199 WeakPolarHBondContact CB-OE1 3.22Å; S52-E199 PolarHBondContact OG-OE1 3.06Å; F54-E199 HydrophobicContact CD2-CG 4.41Å; F54-E199 HydrophobicContact CE2-CG 4.46Å; H176-E199 PolarHBondContact NE2-O 2.98Å; T196-E199 VanDerWaalsContact O-CB 3.31Å; T196-E199 WeakPolarHBondContact O-CB 3.08Å; T196-E199 WeakPolarHBondContact O-CG 3.24Å; T196-E199 PolarHBondContact O-N 3.3Å; E197-E199 PolarHBondContact O-N 3.41Å; E199-F228 HydrophobicContact CB-CD2 4.01Å; E199-F228 HydrophobicContact CB-CE2 3.63Å; E199-F228 HydrophobicContact CB-CZ 4.1Å; E199-F228 HydrophobicContact CG-CD2 4.34Å; E199-F228 HydrophobicContact CG-CE1 4.18Å; E199-F228 HydrophobicContact CG-CE2 3.74Å; E199-F228 HydrophobicContact CG-CZ 3.65Å |
| 200 | F | 92.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -115.2 | 13 | 176.7 | -59.6 | -94 | 0 | 0 | 0 | 111.9 | R181 I187 W189 I192 E197 T198 A227 F228 T235 I236 | R181-F200 PolarHBondContact NH1-O 3.03Å; R181-F200 PolarHBondContact NH2-O 2.56Å; I187-F200 HydrophobicContact CD1-CD1 3.96Å; I187-F200 HydrophobicContact CG2-CB 4.08Å; I187-F200 HydrophobicContact CG2-CD1 4.12Å; I187-F200 HydrophobicContact CG2-CG 4.2Å; W189-F200 HydrophobicContact CH2-CB 4.07Å; W189-F200 HydrophobicContact CZ3-CB 4.14Å; I192-F200 HydrophobicContact CD1-CB 4.27Å; I192-F200 HydrophobicContact CD1-CD1 4.2Å; I192-F200 HydrophobicContact CD1-CD2 3.37Å; I192-F200 HydrophobicContact CD1-CE1 4.39Å; I192-F200 HydrophobicContact CD1-CE2 3.6Å; I192-F200 HydrophobicContact CD1-CG 3.69Å; I192-F200 HydrophobicContact CD1-CZ 4.11Å; I192-F200 HydrophobicContact CG1-CD2 4.09Å; I192-F200 HydrophobicContact CG1-CE2 3.79Å; I192-F200 HydrophobicContact CG1-CZ 4.15Å; I192-F200 HydrophobicContact CG2-CD2 4.23Å; I192-F200 HydrophobicContact CG2-CE2 3.96Å; E197-F200 PolarHBondContact O-N 3.37Å; E197-F200 VanDerWaalsContact O-N 3.1Å; T198-F200 PolarHBondContact O-N 3.11Å; T198-F200 VanDerWaalsContact O-N 3.14Å; F200-A227 HydrophobicContact CZ-CB 4.49Å; F200-A227 WeakPolarHBondContact CZ-O 3.42Å; F200-F228 HydrophobicContact CE2-CB 3.82Å; F200-F228 AromaticContact CE2-CD2 3.77Å; F200-F228 HydrophobicContact CE2-CD2 3.77Å; F200-F228 HydrophobicContact CE2-CG 4.15Å; F200-F228 HydrophobicContact CZ-CB 4.05Å; F200-F228 AromaticContact CZ-CD2 3.91Å; F200-F228 HydrophobicContact CZ-CD2 3.91Å; F200-F228 HydrophobicContact CZ-CG 4.46Å; F200-T235 HydrophobicContact CZ-CG2 4.49Å; F200-I236 HydrophobicContact CD1-CD1 4.44Å; F200-I236 HydrophobicContact CD1-CG1 4.27Å; F200-I236 HydrophobicContact CE1-CD1 3.97Å; F200-I236 HydrophobicContact CE1-CG1 3.76Å |
| 201 | E | 88.7 | Confident | 84.5 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 55% | 0.547 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 153.1 | 171.8 | -74.6 | 176.9 | -177.9 | 0 | 0 | 110.7 | R181 T198 | R181-E201 PolarHBondContact NH1-O 3.11Å; T198-E201 WeakPolarHBondContact O-CB 3.45Å; T198-E201 PolarHBondContact O-N 2.79Å; T198-E201 VanDerWaalsContact O-N 3.08Å |
| 202 | K | 87.9 | Confident | 83.8 | Confident | 89 Ų | 89 | 58 Ų | 58 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 145.4 | 173.3 | -66.7 | -173.2 | -63.2 | -173.4 | 0 | 108.3 | S177 R178 T179 R181 D182 | S177-K202 WeakPolarHBondContact O-CA 3.47Å; R178-K202 WeakPolarHBondContact O-CD 3.23Å; T179-K202 PolarHBondContact O-NZ 3.4Å; R181-K202 HydrophobicContact CG-CD 3.99Å; R181-K202 HydrophobicContact CG-CG 4.36Å; D182-K202 WeakPolarHBondContact OD2-CE 3.33Å; D182-K202 IonicContact OD2-NZ 3.74Å; D182-K202 PolarHBondContact OD2-NZ 3.19Å |
| 203 | Y | 82.7 | Confident | 83.6 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 146.9 | 158.3 | -67.4 | -86.3 | 0 | 0 | 0 | 109.5 | Y51 A73 I173 S177 T179 E207 V208 | Y51-Y203 HydrophobicContact CD1-CE1 4.2Å; Y51-Y203 HydrophobicContact CE1-CE1 4.15Å; A73-Y203 HydrophobicContact CB-CD1 4.15Å; A73-Y203 HydrophobicContact CB-CE1 3.56Å; I173-Y203 HydrophobicContact CB-CD2 4.06Å; I173-Y203 HydrophobicContact CB-CE2 3.73Å; I173-Y203 HydrophobicContact CD1-CD2 3.52Å; I173-Y203 HydrophobicContact CD1-CE2 4.07Å; I173-Y203 HydrophobicContact CD1-CG 4.26Å; I173-Y203 HydrophobicContact CG1-CD2 4.38Å; I173-Y203 HydrophobicContact CG2-CD1 4.46Å; I173-Y203 HydrophobicContact CG2-CD2 3.77Å; I173-Y203 HydrophobicContact CG2-CE1 4.17Å; I173-Y203 HydrophobicContact CG2-CE2 3.42Å; I173-Y203 VanDerWaalsContact CG2-CE2 3.42Å; I173-Y203 HydrophobicContact CG2-CG 4.27Å; S177-Y203 PolarHBondContact O-N 2.89Å; T179-Y203 WeakPolarHBondContact CG2-O 3.44Å; Y203-E207 HydrophobicContact CD1-CB 4.31Å; Y203-V208 HydrophobicContact CG-CG1 4.04Å |
| 204 | S | 78.1 | Confident | 83.7 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 31% | 0.308 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -74 | 164.7 | 175.1 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | S206 E207 V208 | S204-S206 PolarHBondContact O-N 3.14Å; S204-S206 PolarHBondContact OG-OG 3.16Å; S204-E207 WeakPolarHBondContact CB-OE2 3.22Å; S204-E207 PolarHBondContact N-OE2 2.8Å; S204-E207 CarbonylContact O-C 3.56Å; S204-E207 WeakPolarHBondContact O-CA 3.33Å; S204-E207 WeakPolarHBondContact O-CB 3.2Å; S204-E207 PolarHBondContact O-N 2.9Å; S204-E207 VanDerWaalsContact OG-CD 3.29Å; S204-E207 VanDerWaalsContact OG-CG 3.23Å; S204-E207 WeakPolarHBondContact OG-CG 3.46Å; S204-E207 PolarHBondContact OG-N 3.4Å; S204-E207 PolarHBondContact OG-OE2 3.35Å; S204-V208 PolarHBondContact O-N 3.22Å |
| 205 | S | 76.6 | Confident | 83.9 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 60% | 0.601 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.4 | 175.3 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 206 | S | 72.8 | Confident | 84.4 | Confident | 88 Ų | 88 | 48 Ų | 48 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -24 | 166 | 35.1 | 0 | 0 | 0 | 0 | 111.7 | V74 S204 | V74-S206 WeakPolarHBondContact CG1-O 3.37Å; S204-S206 PolarHBondContact O-N 3.14Å; S204-S206 PolarHBondContact OG-OG 3.16Å |
| 207 | E | 69.2 | Low | 84.8 | Confident | 51 Ų | 51 | 48.4 Ų | 48.4 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -58.4 | -180 | -69.7 | 166.8 | 112.9 | 0 | 0 | 110.9 | V74 R75 Y203 S204 | V74-E207 CarbonylContact C-O 3.57Å; V74-E207 WeakPolarHBondContact CA-O 3.41Å; V74-E207 HydrophobicContact CB-CB 4.46Å; V74-E207 VanDerWaalsContact CB-O 3.24Å; V74-E207 WeakPolarHBondContact CB-O 3.32Å; V74-E207 WeakPolarHBondContact CG1-O 3.41Å; V74-E207 HydrophobicContact CG2-CB 3.46Å; V74-E207 VanDerWaalsContact CG2-CB 3.46Å; V74-E207 HydrophobicContact CG2-CG 3.48Å; V74-E207 VanDerWaalsContact CG2-CG 3.48Å; R75-E207 PolarHBondContact N-O 2.69Å; Y203-E207 HydrophobicContact CD1-CB 4.31Å; S204-E207 WeakPolarHBondContact CB-OE2 3.22Å; S204-E207 PolarHBondContact N-OE2 2.8Å; S204-E207 CarbonylContact O-C 3.56Å; S204-E207 WeakPolarHBondContact O-CA 3.33Å; S204-E207 WeakPolarHBondContact O-CB 3.2Å; S204-E207 PolarHBondContact O-N 2.9Å; S204-E207 VanDerWaalsContact OG-CD 3.29Å; S204-E207 VanDerWaalsContact OG-CG 3.23Å; S204-E207 WeakPolarHBondContact OG-CG 3.46Å; S204-E207 PolarHBondContact OG-N 3.4Å; S204-E207 PolarHBondContact OG-OE2 3.35Å |
| 208 | V | 75.8 | Confident | 85.2 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | trans | -116.6 | 142.4 | -172.7 | -61.7 | 0 | 0 | 0 | 0 | 112.9 | I173 T179 Y203 S204 | I173-V208 HydrophobicContact CD1-CB 4.2Å; I173-V208 HydrophobicContact CD1-CG1 3.76Å; I173-V208 HydrophobicContact CD1-CG2 4.08Å; I173-V208 HydrophobicContact CG1-CG1 4.14Å; I173-V208 HydrophobicContact CG2-CG1 4.07Å; T179-V208 HydrophobicContact CG2-CG2 3.89Å; Y203-V208 HydrophobicContact CG-CG1 4.04Å; S204-V208 PolarHBondContact O-N 3.22Å | ||
| 209 | D | 77.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 43 Ų | 43 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | trans | -111.7 | 125.5 | 168.2 | -166.9 | -16.9 | 0 | 0 | 0 | 109 | R75 N211 | R75-D209 HydrophobicContact CG-CB 4.2Å; D209-N211 PolarHBondContact O-N 2.94Å; D209-N211 PolarHBondContact O-ND2 2.78Å; D209-N211 PolarHBondContact OD1-N 2.77Å | ||
| 210 | N | 79.7 | Confident | 86.1 | Confident | 29 Ų | 29 | 42 Ų | 42 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | trans | -69.7 | -8.6 | 175.2 | -67.5 | -20.1 | 0 | 0 | 0 | 112.3 | R178 T179 D180 G212 F213 | R178-N210 VanDerWaalsContact CZ-OD1 3.28Å; R178-N210 PolarHBondContact NE-OD1 2.93Å; R178-N210 VanDerWaalsContact NH2-CB 3.35Å; R178-N210 PolarHBondContact NH2-ND2 3.39Å; R178-N210 VanDerWaalsContact NH2-ND2 3.18Å; T179-N210 PolarHBondContact OG1-ND2 3.11Å; D180-N210 PolarHBondContact OD1-ND2 3.25Å; D180-N210 PolarHBondContact OD2-ND2 3.46Å; N210-G212 PolarHBondContact O-N 2.84Å; N210-F213 PolarHBondContact O-N 3.42Å | ||
| 211 | N | 79.2 | Confident | 86.3 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 22% | 0.219 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 28.9 | -179.9 | -69.9 | -57.6 | 0 | 0 | 0 | 112.7 | D209 F213 K263 | D209-N211 PolarHBondContact O-N 2.94Å; D209-N211 PolarHBondContact O-ND2 2.78Å; D209-N211 PolarHBondContact OD1-N 2.77Å; N211-F213 HydrophobicContact CB-CD2 3.97Å; N211-F213 HydrophobicContact CB-CE2 4.16Å; N211-F213 PolarHBondContact O-N 3.19Å; N211-K263 HydrophobicContact CB-CD 4.1Å; N211-K263 PolarHBondContact O-NZ 3.3Å |
| 212 | G | 83.7 | Confident | 86.7 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 81% | 0.814 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | N210 | N210-G212 PolarHBondContact O-N 2.84Š|
| 213 | F | 90.4 | Very high | 87 | Confident | 24 Ų | 24 | 32.4 Ų | 32.4 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 140.7 | 175 | -69.1 | -74.2 | 0 | 0 | 0 | 111.6 | R178 N210 N211 L256 R259 K260 K263 | R178-F213 PolarHBondContact NH2-O 2.68Å; N210-F213 PolarHBondContact O-N 3.42Å; N211-F213 HydrophobicContact CB-CD2 3.97Å; N211-F213 HydrophobicContact CB-CE2 4.16Å; N211-F213 PolarHBondContact O-N 3.19Å; F213-L256 HydrophobicContact CD1-CD2 3.77Å; F213-L256 HydrophobicContact CE1-CD2 4.43Å; F213-R259 HydrophobicContact CE1-CB 3.68Å; F213-R259 HydrophobicContact CZ-CB 3.89Å; F213-R259 WeakPolarHBondContact CZ-O 3.39Å; F213-K260 HydrophobicContact CB-CG 4.35Å; F213-K260 HydrophobicContact CD2-CB 4.44Å; F213-K260 HydrophobicContact CD2-CG 3.57Å; F213-K260 HydrophobicContact CE2-CB 4.3Å; F213-K260 HydrophobicContact CE2-CG 3.88Å; F213-K260 HydrophobicContact CG-CG 3.91Å; F213-K260 HydrophobicContact CZ-CG 4.49Å; F213-K263 HydrophobicContact CE2-CB 3.96Å; F213-K263 HydrophobicContact CE2-CD 3.56Å; F213-K263 HydrophobicContact CE2-CG 4.32Å; F213-K263 HydrophobicContact CZ-CB 4.03Å; F213-K263 HydrophobicContact CZ-CD 3.82Å |
| 214 | S | 94 | Very high | 87.6 | Confident | 66 Ų | 66 | 32.1 Ų | 32.1 | 46% | 0.462 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 155.1 | 169.5 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | D216 | S214-D216 PolarHBondContact O-N 3.12Š|
| 215 | Y | 95.7 | Very high | 88.3 | Confident | 12 Ų | 12 | 31.7 Ų | 31.7 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 132.9 | 172.4 | -164.6 | -90.9 | 0 | 0 | 0 | 111.4 | E175 H176 R181 Y184 V185 Y217 H222 | E175-Y215 HydrophobicContact CG-CD2 4.4Å; E175-Y215 HydrophobicContact CG-CE1 4.37Å; E175-Y215 HydrophobicContact CG-CE2 4.07Å; E175-Y215 WeakPolarHBondContact O-CE2 3.33Å; E175-Y215 PolarHBondContact O-OH 1.99Å; H176-Y215 WeakPolarHBondContact CA-OH 3.38Å; R181-Y215 HydrophobicContact CB-CE2 3.84Å; Y184-Y215 VanDerWaalsContact CD1-CB 3.42Å; Y184-Y215 HydrophobicContact CD1-CD1 4.28Å; Y184-Y215 AromaticContact CD1-CG 3.96Å; Y184-Y215 HydrophobicContact CD1-CG 3.96Å; Y184-Y215 VanDerWaalsContact CD2-CB 3.47Å; Y184-Y215 HydrophobicContact CD2-CD1 4.47Å; Y184-Y215 AromaticContact CD2-CD2 3.68Å; Y184-Y215 HydrophobicContact CD2-CD2 3.68Å; Y184-Y215 AromaticContact CD2-CG 3.64Å; Y184-Y215 HydrophobicContact CD2-CG 3.64Å; Y184-Y215 HydrophobicContact CE1-CG 4.5Å; Y184-Y215 HydrophobicContact CE2-CD2 4.32Å; Y184-Y215 HydrophobicContact CE2-CG 4.24Å; Y184-Y215 AromaticContact CG-CD1 3.89Å; Y184-Y215 HydrophobicContact CG-CD1 3.89Å; Y184-Y215 AromaticContact CG-CD2 3.95Å; Y184-Y215 HydrophobicContact CG-CD2 3.95Å; Y184-Y215 AromaticContact CG-CG 3.47Å; Y184-Y215 HydrophobicContact CG-CG 3.47Å; Y184-Y215 VanDerWaalsContact CG-CG 3.47Å; V185-Y215 HydrophobicContact CG1-CE1 4.08Å; Y215-Y217 HydrophobicContact CD1-CD1 4.1Å; Y215-Y217 HydrophobicContact CD1-CD2 4.32Å; Y215-Y217 HydrophobicContact CD1-CE1 4.07Å; Y215-Y217 HydrophobicContact CD1-CE2 4.3Å; Y215-Y217 HydrophobicContact CD1-CG 4.24Å; Y215-Y217 AromaticContact CE1-CD1 3.84Å; Y215-Y217 HydrophobicContact CE1-CD1 3.84Å; Y215-Y217 AromaticContact CE1-CE1 3.91Å; Y215-Y217 HydrophobicContact CE1-CE1 3.91Å; Y215-Y217 HydrophobicContact CE1-CG 4.33Å; Y215-H222 AromaticContact CE1-CD2 3.71Å; Y215-H222 AromaticContact CE1-NE2 3.43Å; Y215-H222 WeakPolarHBondContact CE1-NE2 3.17Å; Y215-H222 AromaticContact CZ-CD2 3.86Å; Y215-H222 AromaticContact CZ-NE2 3.55Å; Y215-H222 PolarHBondContact OH-CD2 2.76Å; Y215-H222 PolarHBondContact OH-NE2 3.41Å |
| 216 | D | 97.1 | Very high | 89.1 | Confident | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | trans | -115 | 93.8 | -175.8 | -176.3 | 14.1 | 0 | 0 | 0 | 112.3 | E175 S214 G218 S219 S254 L256 | E175-D216 PolarHBondContact OE1-N 2.84Å; S214-D216 PolarHBondContact O-N 3.12Å; D216-G218 PolarHBondContact O-N 2.69Å; D216-G218 VanDerWaalsContact O-N 3.12Å; D216-G218 PolarHBondContact OD1-N 2.88Å; D216-S219 VanDerWaalsContact CG-N 3.3Å; D216-S219 VanDerWaalsContact O-CB 3.3Å; D216-S219 WeakPolarHBondContact O-CB 3.49Å; D216-S219 PolarHBondContact O-N 3.37Å; D216-S219 PolarHBondContact OD1-N 2.58Å; D216-S219 WeakPolarHBondContact OD2-CA 3.42Å; D216-S219 WeakPolarHBondContact OD2-CB 3.38Å; D216-S219 PolarHBondContact OD2-N 2.76Å; D216-S254 WeakPolarHBondContact OD2-CB 3.23Å; D216-S254 PolarHBondContact OD2-OG 2.79Å; D216-L256 HydrophobicContact CB-CB 4.21Å; D216-L256 HydrophobicContact CB-CD1 3.81Å | ||
| 217 | Y | 97.4 | Very high | 90 | Very high | 10 Ų | 10 | 25.1 Ų | 25.1 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.5 | 174.6 | -63.5 | -79.2 | 0 | 0 | 0 | 113.5 | Y184 V185 Y215 A238 R243 I246 M247 | Y184-Y217 WeakPolarHBondContact CA-OH 3.25Å; Y184-Y217 WeakPolarHBondContact CB-OH 3.47Å; Y184-Y217 PolarHBondContact O-OH 3.44Å; V185-Y217 HydrophobicContact CG1-CD1 4.4Å; V185-Y217 HydrophobicContact CG1-CE1 3.8Å; Y215-Y217 HydrophobicContact CD1-CD1 4.1Å; Y215-Y217 HydrophobicContact CD1-CD2 4.32Å; Y215-Y217 HydrophobicContact CD1-CE1 4.07Å; Y215-Y217 HydrophobicContact CD1-CE2 4.3Å; Y215-Y217 HydrophobicContact CD1-CG 4.24Å; Y215-Y217 AromaticContact CE1-CD1 3.84Å; Y215-Y217 HydrophobicContact CE1-CD1 3.84Å; Y215-Y217 AromaticContact CE1-CE1 3.91Å; Y215-Y217 HydrophobicContact CE1-CE1 3.91Å; Y215-Y217 HydrophobicContact CE1-CG 4.33Å; Y217-A238 HydrophobicContact CD1-CB 4.11Å; Y217-A238 HydrophobicContact CE1-CB 3.55Å; Y217-R243 HydrophobicContact CD1-CB 3.87Å; Y217-R243 HydrophobicContact CD2-CB 3.81Å; Y217-R243 HydrophobicContact CD2-CG 3.75Å; Y217-R243 HydrophobicContact CE1-CB 4.1Å; Y217-R243 HydrophobicContact CE2-CB 4.03Å; Y217-R243 HydrophobicContact CE2-CG 3.78Å; Y217-R243 HydrophobicContact CG-CB 3.71Å; Y217-R243 HydrophobicContact CG-CG 4.19Å; Y217-I246 CarbonylContact O-C 3.53Å; Y217-M247 HydrophobicContact CD1-CG 4.15Å; Y217-M247 HydrophobicContact CD1-SD 3.84Å; Y217-M247 HydrophobicContact CE1-SD 4.48Å; Y217-M247 VanDerWaalsContact O-CA 3.24Å; Y217-M247 WeakPolarHBondContact O-CA 3.44Å; Y217-M247 PolarHBondContact O-N 3.41Å |
| 218 | G | 96.2 | Very high | 91 | Very high | 13 Ų | 13 | 24 Ų | 24 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | D216 Q249 | D216-G218 PolarHBondContact O-N 2.69Å; D216-G218 VanDerWaalsContact O-N 3.12Å; D216-G218 PolarHBondContact OD1-N 2.88Å; G218-Q249 WeakPolarHBondContact O-CG 3.34Å; G218-Q249 PolarHBondContact O-NE2 3.46Å |
| 219 | S | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -60 | 140.3 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | D216 M221 H222 D257 | D216-S219 VanDerWaalsContact CG-N 3.3Å; D216-S219 VanDerWaalsContact O-CB 3.3Å; D216-S219 WeakPolarHBondContact O-CB 3.49Å; D216-S219 PolarHBondContact O-N 3.37Å; D216-S219 PolarHBondContact OD1-N 2.58Å; D216-S219 WeakPolarHBondContact OD2-CA 3.42Å; D216-S219 WeakPolarHBondContact OD2-CB 3.38Å; D216-S219 PolarHBondContact OD2-N 2.76Å; S219-M221 PolarHBondContact O-N 3.11Å; S219-M221 VanDerWaalsContact O-N 3.14Å; S219-M221 WeakPolarHBondContact OG-CB 3.4Å; S219-M221 PolarHBondContact OG-N 3.08Å; S219-H222 WeakPolarHBondContact O-CB 3.31Å; S219-H222 PolarHBondContact O-N 3.01Å; S219-D257 WeakPolarHBondContact CA-OD2 3.31Å; S219-D257 WeakPolarHBondContact CB-OD1 3.44Å; S219-D257 PolarHBondContact OG-OD1 3.5Å | ||
| 220 | I | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23 | 171.2 | -158.4 | 171.7 | 0 | 0 | 0 | 111.2 | G160 L163 H164 M167 H222 R250 F253 D257 | G160-I220 WeakPolarHBondContact O-CD1 3.45Å; L163-I220 HydrophobicContact CB-CD1 3.46Å; L163-I220 VanDerWaalsContact CB-CD1 3.46Å; L163-I220 HydrophobicContact CD1-CD1 4Å; L163-I220 HydrophobicContact CG-CD1 4.41Å; H164-I220 PolarHBondContact CE1-O 3.33Å; H164-I220 PolarHBondContact ND1-O 3.32Å; M167-I220 HydrophobicContact SD-CG2 3.57Å; M167-I220 VanDerWaalsContact SD-CG2 3.57Å; I220-H222 VanDerWaalsContact C-N 3.33Å; I220-R250 VanDerWaalsContact O-CZ 3.32Å; I220-R250 PolarHBondContact O-NH1 3.04Å; I220-F253 HydrophobicContact CG2-CD1 3.96Å; I220-F253 HydrophobicContact CG2-CE1 4.2Å; I220-D257 PolarHBondContact N-OD2 3.3Å |
| 221 | M | 96.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.2 | 177.9 | -53.5 | -49.5 | -66.6 | 0 | 0 | 113.8 | M167 H168 F172 H174 E175 S219 | M167-M221 HydrophobicContact CB-CE 4.44Å; M167-M221 HydrophobicContact CB-SD 3.63Å; M167-M221 HydrophobicContact CE-CG 3.76Å; M167-M221 HydrophobicContact CG-CE 4.47Å; M167-M221 HydrophobicContact CG-CG 4Å; M167-M221 HydrophobicContact CG-SD 3.59Å; M167-M221 VanDerWaalsContact CG-SD 3.59Å; M167-M221 HydrophobicContact SD-CG 3.59Å; M167-M221 VanDerWaalsContact SD-CG 3.59Å; M167-M221 HydrophobicContact SD-SD 3.69Å; M167-M221 VanDerWaalsContact SD-SD 3.69Å; H168-M221 WeakPolarHBondContact CE1-CE 3.26Å; H168-M221 WeakPolarHBondContact ND1-CE 3.43Å; H168-M221 WeakPolarHBondContact NE2-CE 3.48Å; F172-M221 HydrophobicContact CB-CE 4.48Å; F172-M221 HydrophobicContact CB-CG 4.36Å; H174-M221 CarbonylContact C-O 3.52Å; H174-M221 WeakPolarHBondContact CA-O 3.36Å; H174-M221 WeakPolarHBondContact CB-O 3.49Å; E175-M221 PolarHBondContact N-O 3.11Å; S219-M221 PolarHBondContact O-N 3.11Å; S219-M221 VanDerWaalsContact O-N 3.14Å; S219-M221 WeakPolarHBondContact OG-CB 3.4Å; S219-M221 PolarHBondContact OG-N 3.08Å |
| 222 | H | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -89.5 | 136.2 | 178.4 | -158.9 | -60.4 | 0 | 0 | 0 | 111.1 | E175 Y215 S219 I220 M247 G248 R250 | E175-H222 HydrophobicContact CB-CB 4.03Å; Y215-H222 AromaticContact CE1-CD2 3.71Å; Y215-H222 AromaticContact CE1-NE2 3.43Å; Y215-H222 WeakPolarHBondContact CE1-NE2 3.17Å; Y215-H222 AromaticContact CZ-CD2 3.86Å; Y215-H222 AromaticContact CZ-NE2 3.55Å; Y215-H222 PolarHBondContact OH-CD2 2.76Å; Y215-H222 PolarHBondContact OH-NE2 3.41Å; S219-H222 WeakPolarHBondContact O-CB 3.31Å; S219-H222 PolarHBondContact O-N 3.01Å; I220-H222 VanDerWaalsContact C-N 3.33Å; H222-M247 PolarHBondContact CE1-SD 2.93Å; H222-G248 WeakPolarHBondContact O-CA 3.36Å; H222-G248 PolarHBondContact O-N 3.5Å; H222-R250 PolarHBondContact O-NH1 3.12Å; H222-R250 PolarHBondContact O-NH2 3.09Å |
| 223 | Y | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 152.8 | 169.4 | -82.6 | 5.5 | 0 | 0 | 0 | 113 | T44 G46 H174 H176 A227 F228 G248 | T44-Y223 WeakPolarHBondContact O-CE1 3.4Å; G46-Y223 PolarHBondContact N-OH 2.91Å; H174-Y223 AromaticContact CD2-CE1 3.71Å; H174-Y223 AromaticContact CE1-CE1 3.31Å; H174-Y223 WeakPolarHBondContact CE1-CE1 3.2Å; H174-Y223 AromaticContact CE1-CZ 3.52Å; H174-Y223 PolarHBondContact CE1-OH 3.13Å; H174-Y223 AromaticContact CG-CE1 3.74Å; H174-Y223 AromaticContact ND1-CE1 3.52Å; H174-Y223 AromaticContact ND1-CZ 3.59Å; H174-Y223 PolarHBondContact ND1-OH 3.02Å; H174-Y223 AromaticContact NE2-CE1 3.44Å; H174-Y223 WeakPolarHBondContact NE2-CE1 3.41Å; H176-Y223 AromaticContact CE1-CD1 3.64Å; H176-Y223 AromaticContact CE1-CD2 3.1Å; H176-Y223 WeakPolarHBondContact CE1-CD2 3.35Å; H176-Y223 AromaticContact CE1-CE1 3.78Å; H176-Y223 AromaticContact CE1-CE2 3.23Å; H176-Y223 WeakPolarHBondContact CE1-CE2 3.11Å; H176-Y223 AromaticContact CE1-CG 3.31Å; H176-Y223 AromaticContact CE1-CZ 3.58Å; H176-Y223 AromaticContact ND1-CD1 3.92Å; H176-Y223 AromaticContact ND1-CD2 3.67Å; H176-Y223 AromaticContact ND1-CG 3.5Å; H176-Y223 AromaticContact NE2-CD2 3.41Å; H176-Y223 WeakPolarHBondContact NE2-CD2 3.13Å; H176-Y223 AromaticContact NE2-CE2 3.44Å; H176-Y223 WeakPolarHBondContact NE2-CE2 3.45Å; Y223-A227 HydrophobicContact CD2-CB 3.75Å; Y223-A227 HydrophobicContact CG-CB 4.08Å; Y223-F228 HydrophobicContact CE2-CD2 4.27Å; Y223-F228 AromaticContact CE2-CE2 3.78Å; Y223-F228 HydrophobicContact CE2-CE2 3.78Å; Y223-G248 PolarHBondContact O-N 3.33Å |
| 224 | D | 94 | Very high | 94.8 | Very high | 20 Ų | 20 | 35 Ų | 35 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 156.6 | 166.6 | 179.7 | 73.9 | 0 | 0 | 0 | 111.4 | A41 L226 A227 | A41-D224 HydrophobicContact CB-CB 3.36Å; D224-L226 PolarHBondContact O-N 3.02Å; D224-L226 WeakPolarHBondContact OD2-CB 3.39Å; D224-L226 PolarHBondContact OD2-N 3.11Å; D224-A227 WeakPolarHBondContact O-CB 3.05Å; D224-A227 PolarHBondContact O-N 3.3Å |
| 225 | N | 93.9 | Very high | 94.9 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 19% | 0.193 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.2 | -178.7 | 69.9 | -20.3 | 0 | 0 | 0 | 114.3 | P234 T235 I236 M247 | N225-P234 CarbonylContact O-C 3.43Å; N225-P234 WeakPolarHBondContact O-CA 3.44Å; N225-T235 PolarHBondContact O-N 3.26Å; N225-T235 PolarHBondContact O-OG1 2.76Å; N225-I236 WeakPolarHBondContact CB-O 3.36Å; N225-I236 PolarHBondContact O-N 3.05Å; N225-M247 HydrophobicContact CB-CE 3.55Å |
| 226 | L | 92.8 | Very high | 95 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 17% | 0.173 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 5.5 | 177.4 | -58.3 | -178.4 | 0 | 0 | 0 | 113.8 | D224 F228 S229 P234 | D224-L226 PolarHBondContact O-N 3.02Å; D224-L226 WeakPolarHBondContact OD2-CB 3.39Å; D224-L226 PolarHBondContact OD2-N 3.11Å; L226-F228 PolarHBondContact O-N 3.14Å; L226-S229 WeakPolarHBondContact O-CB 3Å; L226-S229 PolarHBondContact O-N 3.33Å; L226-P234 HydrophobicContact CD2-CG 4.39Å |
| 227 | A | 91.2 | Very high | 95 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 130.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | F200 Y223 D224 S229 T235 | F200-A227 HydrophobicContact CZ-CB 4.49Å; F200-A227 WeakPolarHBondContact CZ-O 3.42Å; Y223-A227 HydrophobicContact CD2-CB 3.75Å; Y223-A227 HydrophobicContact CG-CB 4.08Å; D224-A227 WeakPolarHBondContact O-CB 3.05Å; D224-A227 PolarHBondContact O-N 3.3Å; A227-S229 PolarHBondContact O-N 2.8Å; A227-S229 VanDerWaalsContact O-N 3.08Å; A227-T235 WeakPolarHBondContact O-CB 3.04Å; A227-T235 WeakPolarHBondContact O-CG2 3.45Å; A227-T235 PolarHBondContact O-OG1 2.77Å |
| 228 | F | 90.6 | Very high | 95 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 29.1 | -177.4 | -57.1 | -78.4 | 0 | 0 | 0 | 115.7 | A45 I192 I193 T196 E199 F200 Y223 L226 R230 | A45-F228 HydrophobicContact CB-CD2 4.43Å; A45-F228 HydrophobicContact CB-CE1 4.46Å; A45-F228 HydrophobicContact CB-CE2 3.64Å; A45-F228 HydrophobicContact CB-CZ 3.66Å; I192-F228 WeakPolarHBondContact CA-O 3.06Å; I193-F228 WeakPolarHBondContact CG1-O 3.39Å; I193-F228 PolarHBondContact N-O 3.44Å; T196-F228 HydrophobicContact CG2-CD1 3.58Å; T196-F228 HydrophobicContact CG2-CE1 4.1Å; T196-F228 HydrophobicContact CG2-CG 4.34Å; E199-F228 HydrophobicContact CB-CD2 4.01Å; E199-F228 HydrophobicContact CB-CE2 3.63Å; E199-F228 HydrophobicContact CB-CZ 4.1Å; E199-F228 HydrophobicContact CG-CD2 4.34Å; E199-F228 HydrophobicContact CG-CE1 4.18Å; E199-F228 HydrophobicContact CG-CE2 3.74Å; E199-F228 HydrophobicContact CG-CZ 3.65Å; F200-F228 HydrophobicContact CE2-CB 3.82Å; F200-F228 AromaticContact CE2-CD2 3.77Å; F200-F228 HydrophobicContact CE2-CD2 3.77Å; F200-F228 HydrophobicContact CE2-CG 4.15Å; F200-F228 HydrophobicContact CZ-CB 4.05Å; F200-F228 AromaticContact CZ-CD2 3.91Å; F200-F228 HydrophobicContact CZ-CD2 3.91Å; F200-F228 HydrophobicContact CZ-CG 4.46Å; Y223-F228 HydrophobicContact CE2-CD2 4.27Å; Y223-F228 AromaticContact CE2-CE2 3.78Å; Y223-F228 HydrophobicContact CE2-CE2 3.78Å; L226-F228 PolarHBondContact O-N 3.14Å; F228-R230 PolarHBondContact O-N 2.95Å |
| 229 | S | 94 | Very high | 95.1 | Very high | 26 Ų | 26 | 38 Ų | 38 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 127.7 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 112 | N191 L226 A227 N231 G232 R233 | N191-S229 CarbonylContact O-C 3.5Å; N191-S229 WeakPolarHBondContact O-CA 3.37Å; L226-S229 WeakPolarHBondContact O-CB 3Å; L226-S229 PolarHBondContact O-N 3.33Å; A227-S229 PolarHBondContact O-N 2.8Å; A227-S229 VanDerWaalsContact O-N 3.08Å; S229-N231 PolarHBondContact OG-OD1 3.25Å; S229-G232 PolarHBondContact OG-N 2.73Å; S229-G232 VanDerWaalsContact OG-N 3.09Å; S229-R233 WeakPolarHBondContact CB-O 3.33Å; S229-R233 PolarHBondContact OG-N 3.26Å; S229-R233 VanDerWaalsContact OG-N 3.15Å; S229-R233 PolarHBondContact OG-O 2.89Å |
| 230 | R | 93.2 | Very high | 95 | Very high | 138 Ų | 138 | 42.8 Ų | 42.8 | 52% | 0.521 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -85.2 | -13.5 | 176.1 | 77.6 | -178.4 | 175.5 | 172.6 | 4.4 | 114.4 | R190 N191 I192 I193 F228 | R190-R230 PolarHBondContact O-NE 2.95Å; R190-R230 PolarHBondContact O-NH2 3.18Å; N191-R230 WeakPolarHBondContact O-CG 2.96Å; N191-R230 PolarHBondContact O-N 3.25Å; I192-R230 WeakPolarHBondContact O-CD 3.2Å; I193-R230 HydrophobicContact CB-CB 4.49Å; I193-R230 HydrophobicContact CG1-CB 3.79Å; F228-R230 PolarHBondContact O-N 2.95Å |
| 231 | N | 95.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -139.6 | 13.7 | -167.6 | 60.8 | 10.2 | 0 | 0 | 0 | 113.3 | N191 S229 R233 | N191-N231 PolarHBondContact OD1-ND2 2.86Å; S229-N231 PolarHBondContact OG-OD1 3.25Å; N231-R233 PolarHBondContact O-N 3.41Å; N231-R233 VanDerWaalsContact OD1-CB 3.29Å; N231-R233 WeakPolarHBondContact OD1-CB 3.37Å; N231-R233 PolarHBondContact OD1-N 3.47Å; N231-R233 VanDerWaalsContact OD1-N 3.11Å |
| 232 | G | 92 | Very high | 94.7 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 68 | 10.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S229 | S229-G232 PolarHBondContact OG-N 2.73Å; S229-G232 VanDerWaalsContact OG-N 3.09Å |
| 233 | R | 95.4 | Very high | 94.6 | Very high | 159 Ų | 159 | 59.3 Ų | 59.3 | 60% | 0.6 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -101.1 | 155.4 | 175.3 | -57.3 | 179.9 | 178.9 | -174.5 | -1.8 | 110.5 | N191 S229 N231 T235 | N191-R233 WeakPolarHBondContact ND2-CB 3.4Å; S229-R233 WeakPolarHBondContact CB-O 3.33Å; S229-R233 PolarHBondContact OG-N 3.26Å; S229-R233 VanDerWaalsContact OG-N 3.15Å; S229-R233 PolarHBondContact OG-O 2.89Å; N231-R233 PolarHBondContact O-N 3.41Å; N231-R233 VanDerWaalsContact OD1-CB 3.29Å; N231-R233 WeakPolarHBondContact OD1-CB 3.37Å; N231-R233 PolarHBondContact OD1-N 3.47Å; N231-R233 VanDerWaalsContact OD1-N 3.11Å; R233-T235 PolarHBondContact O-N 3.26Å |
| 234 | P | 95.4 | Very high | 94.5 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | trans | -55.4 | 132.6 | -178.7 | -27.5 | 35.8 | 0 | 0 | 0 | 113.9 | N191 N225 L226 E237 | N191-P234 PolarHBondContact ND2-O 3.08Å; N225-P234 CarbonylContact O-C 3.43Å; N225-P234 WeakPolarHBondContact O-CA 3.44Å; L226-P234 HydrophobicContact CD2-CG 4.39Å; P234-E237 HydrophobicContact CB-CG 4.12Å | ||
| 235 | T | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -91.2 | -26.9 | 166.7 | 52.7 | 0 | 0 | 0 | 0 | 111 | I187 I188 N191 I192 F200 N225 A227 R233 | I187-T235 CarbonylContact C-O 3.47Å; I187-T235 WeakPolarHBondContact CA-O 3.32Å; I188-T235 PolarHBondContact N-O 3.45Å; N191-T235 HydrophobicContact CB-CG2 4.11Å; I192-T235 HydrophobicContact CG1-CG2 3.76Å; F200-T235 HydrophobicContact CZ-CG2 4.49Å; N225-T235 PolarHBondContact O-N 3.26Å; N225-T235 PolarHBondContact O-OG1 2.76Å; A227-T235 WeakPolarHBondContact O-CB 3.04Å; A227-T235 WeakPolarHBondContact O-CG2 3.45Å; A227-T235 PolarHBondContact O-OG1 2.77Å; R233-T235 PolarHBondContact O-N 3.26Å |
| 236 | I | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.9 | 174.3 | -49.8 | 178.2 | 0 | 0 | 0 | 109.1 | H176 V185 I187 F200 N225 M247 | H176-I236 HydrophobicContact CB-CD1 4.08Å; V185-I236 HydrophobicContact CB-CG2 3.71Å; V185-I236 HydrophobicContact CG1-CG2 3.77Å; V185-I236 HydrophobicContact CG2-CG2 4.17Å; I187-I236 HydrophobicContact CD1-CG1 4.05Å; I187-I236 HydrophobicContact CD1-CG2 4.44Å; F200-I236 HydrophobicContact CD1-CD1 4.44Å; F200-I236 HydrophobicContact CD1-CG1 4.27Å; F200-I236 HydrophobicContact CE1-CD1 3.97Å; F200-I236 HydrophobicContact CE1-CG1 3.76Å; N225-I236 WeakPolarHBondContact CB-O 3.36Å; N225-I236 PolarHBondContact O-N 3.05Å; I236-M247 HydrophobicContact CB-CE 4.35Å; I236-M247 HydrophobicContact CG2-CE 4.11Å; I236-M247 HydrophobicContact CG2-SD 4.38Å |
| 237 | E | 97.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.1 | 171.4 | -70.1 | 177.6 | 179.4 | 0 | 0 | 109.7 | V185 K186 I188 P234 | V185-E237 CarbonylContact C-O 3.44Å; V185-E237 WeakPolarHBondContact CA-O 3.19Å; K186-E237 HydrophobicContact CB-CB 4.45Å; K186-E237 PolarHBondContact N-O 2.93Å; K186-E237 PolarHBondContact O-N 2.73Å; I188-E237 HydrophobicContact CD1-CG 4.05Å; I188-E237 HydrophobicContact CG1-CG 3.84Å; P234-E237 HydrophobicContact CB-CG 4.12Å |
| 238 | A | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 138.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y217 K241 R243 E244 M247 | Y217-A238 HydrophobicContact CD1-CB 4.11Å; Y217-A238 HydrophobicContact CE1-CB 3.55Å; A238-K241 WeakPolarHBondContact O-CE 3.2Å; A238-K241 PolarHBondContact O-NZ 3.04Å; A238-R243 HydrophobicContact CB-CB 3.87Å; A238-E244 VanDerWaalsContact CA-OE1 3.26Å; A238-E244 WeakPolarHBondContact CA-OE1 3.39Å; A238-E244 VanDerWaalsContact CB-CD 3.47Å; A238-E244 HydrophobicContact CB-CG 3.93Å; A238-E244 WeakPolarHBondContact CB-OE1 3.48Å; A238-E244 PolarHBondContact N-OE1 3.24Å; A238-M247 HydrophobicContact CB-SD 4.32Å |
| 239 | K | 97.7 | Very high | 94.6 | Very high | 123 Ų | 123 | 63.1 Ų | 63.1 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -73.8 | -31.5 | 175.4 | -68.7 | -175.1 | 170.9 | -171.8 | 0 | 111.7 | D182 Q183 Y184 | D182-K239 WeakPolarHBondContact O-CE 3.47Å; D182-K239 PolarHBondContact O-NZ 2.86Å; Q183-K239 WeakPolarHBondContact O-CD 3.49Å; Y184-K239 WeakPolarHBondContact O-CB 3.46Å; Y184-K239 PolarHBondContact O-N 3.15Å |
| 240 | Q | 95.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 62.2 Ų | 62.2 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -94.7 | 115.6 | 172.6 | -64.6 | -177.1 | 29.5 | 0 | 0 | 109.7 | R243 | Q240-R243 HydrophobicContact CB-CG 3.83Å; Q240-R243 WeakPolarHBondContact O-CB 3.25Å; Q240-R243 WeakPolarHBondContact O-CG 3.48Å; Q240-R243 PolarHBondContact O-N 3.17Å |
| 241 | K | 93.4 | Very high | 94.4 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 59% | 0.587 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 144.8 | 174.4 | -54 | -57.8 | -176.8 | -177.2 | 0 | 109.9 | A238 E244 | A238-K241 WeakPolarHBondContact O-CE 3.2Å; A238-K241 PolarHBondContact O-NZ 3.04Å; K241-E244 WeakPolarHBondContact CD-OE1 3.25Å; K241-E244 VanDerWaalsContact CD-OE2 3.3Å; K241-E244 WeakPolarHBondContact CD-OE2 3.49Å; K241-E244 WeakPolarHBondContact CE-OE1 3.3Å; K241-E244 IonicContact NZ-OE1 2.53Å; K241-E244 PolarHBondContact NZ-OE1 3.45Å |
| 242 | P | 93.4 | Very high | 94.3 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -99.5 | 49.9 | 0.6 | 39 | -34.9 | 0 | 0 | 0 | 113.1 | E244 S245 | P242-E244 PolarHBondContact O-N 3.1Å; P242-E244 VanDerWaalsContact O-N 3.16Å; P242-S245 PolarHBondContact O-N 3.11Å; P242-S245 PolarHBondContact O-OG 3.16Å |
| 243 | R | 94.7 | Very high | 94.5 | Very high | 114 Ų | 114 | 55.8 Ų | 55.8 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -66.9 | -14.6 | -173.8 | -63.2 | -70 | -174 | 175.6 | 0.3 | 114 | Y217 A238 Q240 S245 I246 | Y217-R243 HydrophobicContact CD1-CB 3.87Å; Y217-R243 HydrophobicContact CD2-CB 3.81Å; Y217-R243 HydrophobicContact CD2-CG 3.75Å; Y217-R243 HydrophobicContact CE1-CB 4.1Å; Y217-R243 HydrophobicContact CE2-CB 4.03Å; Y217-R243 HydrophobicContact CE2-CG 3.78Å; Y217-R243 HydrophobicContact CG-CB 3.71Å; Y217-R243 HydrophobicContact CG-CG 4.19Å; A238-R243 HydrophobicContact CB-CB 3.87Å; Q240-R243 HydrophobicContact CB-CG 3.83Å; Q240-R243 WeakPolarHBondContact O-CB 3.25Å; Q240-R243 WeakPolarHBondContact O-CG 3.48Å; Q240-R243 PolarHBondContact O-N 3.17Å; R243-S245 PolarHBondContact O-N 3.44Å; R243-I246 WeakPolarHBondContact O-CG1 3.44Å; R243-I246 PolarHBondContact O-N 2.72Å |
| 244 | E | 91.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.4 | -30.8 | 176.6 | -64.7 | 79.2 | -179.1 | 0 | 0 | 113.2 | A238 K241 P242 I246 M247 | A238-E244 VanDerWaalsContact CA-OE1 3.26Å; A238-E244 WeakPolarHBondContact CA-OE1 3.39Å; A238-E244 VanDerWaalsContact CB-CD 3.47Å; A238-E244 HydrophobicContact CB-CG 3.93Å; A238-E244 WeakPolarHBondContact CB-OE1 3.48Å; A238-E244 PolarHBondContact N-OE1 3.24Å; K241-E244 WeakPolarHBondContact CD-OE1 3.25Å; K241-E244 VanDerWaalsContact CD-OE2 3.3Å; K241-E244 WeakPolarHBondContact CD-OE2 3.49Å; K241-E244 WeakPolarHBondContact CE-OE1 3.3Å; K241-E244 IonicContact NZ-OE1 2.53Å; K241-E244 PolarHBondContact NZ-OE1 3.45Å; P242-E244 PolarHBondContact O-N 3.1Å; P242-E244 VanDerWaalsContact O-N 3.16Å; E244-I246 PolarHBondContact O-N 3.21Å; E244-M247 HydrophobicContact CB-CE 4.08Å; E244-M247 HydrophobicContact CG-CE 4Å; E244-M247 PolarHBondContact O-N 3.18Å |
| 245 | S | 90.3 | Very high | 94.5 | Very high | 74 Ų | 74 | 51 Ų | 51 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -67.6 | -14.3 | -175.4 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | R37 P242 R243 | R37-S245 PolarHBondContact NH1-O 2.81Å; P242-S245 PolarHBondContact O-N 3.11Å; P242-S245 PolarHBondContact O-OG 3.16Å; R243-S245 PolarHBondContact O-N 3.44Å |
| 246 | I | 92.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 52.1 Ų | 52.1 | 33% | 0.328 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -108.9 | -9.1 | -179.9 | 59.8 | 167.2 | 0 | 0 | 0 | 113.2 | Y217 R243 E244 | Y217-I246 CarbonylContact O-C 3.53Å; R243-I246 WeakPolarHBondContact O-CG1 3.44Å; R243-I246 PolarHBondContact O-N 2.72Å; E244-I246 PolarHBondContact O-N 3.21Å |
| 247 | M | 94.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 147.3 | 174.7 | -59.6 | -175 | -37.5 | 0 | 0 | 110.1 | V185 Y217 H222 N225 I236 A238 E244 Q249 | V185-M247 HydrophobicContact CG1-SD 4.41Å; Y217-M247 HydrophobicContact CD1-CG 4.15Å; Y217-M247 HydrophobicContact CD1-SD 3.84Å; Y217-M247 HydrophobicContact CE1-SD 4.48Å; Y217-M247 VanDerWaalsContact O-CA 3.24Å; Y217-M247 WeakPolarHBondContact O-CA 3.44Å; Y217-M247 PolarHBondContact O-N 3.41Å; H222-M247 PolarHBondContact CE1-SD 2.93Å; N225-M247 HydrophobicContact CB-CE 3.55Å; I236-M247 HydrophobicContact CB-CE 4.35Å; I236-M247 HydrophobicContact CG2-CE 4.11Å; I236-M247 HydrophobicContact CG2-SD 4.38Å; A238-M247 HydrophobicContact CB-SD 4.32Å; E244-M247 HydrophobicContact CB-CE 4.08Å; E244-M247 HydrophobicContact CG-CE 4Å; E244-M247 PolarHBondContact O-N 3.18Å; M247-Q249 VanDerWaalsContact C-N 3.26Å; M247-Q249 PolarHBondContact O-N 2.04Å |
| 248 | G | 93.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 10.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H222 Y223 R250 | H222-G248 WeakPolarHBondContact O-CA 3.36Å; H222-G248 PolarHBondContact O-N 3.5Å; Y223-G248 PolarHBondContact O-N 3.33Å; G248-R250 PolarHBondContact O-NH1 3.19Å |
| 249 | Q | 93.2 | Very high | 93.9 | Very high | 23 Ų | 23 | 58.4 Ų | 58.4 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | trans | -61.9 | 144.2 | 175.5 | 74.2 | 80.3 | 15.3 | 0 | 0 | 111.2 | G218 M247 G252 | G218-Q249 WeakPolarHBondContact O-CG 3.34Å; G218-Q249 PolarHBondContact O-NE2 3.46Å; M247-Q249 VanDerWaalsContact C-N 3.26Å; M247-Q249 PolarHBondContact O-N 2.04Å; Q249-G252 PolarHBondContact NE2-O 2.02Å; Q249-G252 PolarHBondContact OE1-O 3.34Å | ||
| 250 | R | 93.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | trans | -137.1 | 39.4 | 178.1 | -61.7 | -68.7 | 179.7 | -89.2 | 6 | 110.2 | K40 T44 G160 I220 H222 G248 | K40-R250 HydrophobicContact CB-CB 4.43Å; K40-R250 HydrophobicContact CB-CG 4.04Å; K40-R250 HydrophobicContact CD-CB 4.11Å; T44-R250 PolarHBondContact OG1-NE 3.08Å; T44-R250 PolarHBondContact OG1-NH2 3.03Å; G160-R250 VanDerWaalsContact CA-O 3.32Å; G160-R250 WeakPolarHBondContact CA-O 3.44Å; I220-R250 VanDerWaalsContact O-CZ 3.32Å; I220-R250 PolarHBondContact O-NH1 3.04Å; H222-R250 PolarHBondContact O-NH1 3.12Å; H222-R250 PolarHBondContact O-NH2 3.09Å; G248-R250 PolarHBondContact O-NH1 3.19Å | ||
| 251 | D | 91.2 | Very high | 93.6 | Very high | 99 Ų | 99 | 48.3 Ų | 48.3 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -92.5 | -32.5 | -179.3 | -61.4 | -29.5 | 0 | 0 | 0 | 110.7 | ||
| 252 | G | 93.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 169.2 | -173 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q249 | Q249-G252 PolarHBondContact NE2-O 2.02Å; Q249-G252 PolarHBondContact OE1-O 3.34Å |
| 253 | F | 96 | Very high | 93.3 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 9% | 0.088 | 22% | 0.224 | C | C | . | . | trans | -64.1 | 140.7 | 175.7 | -65.9 | -56.1 | 0 | 0 | 0 | 112.5 | E108 F109 K112 L163 M167 I220 D257 M258 I261 | E108-F253 HydrophobicContact CB-CE2 4.5Å; E108-F253 HydrophobicContact CG-CD2 3.93Å; E108-F253 HydrophobicContact CG-CE2 3.79Å; F109-F253 HydrophobicContact CD1-CE2 4.41Å; F109-F253 AromaticContact CD1-CZ 3.95Å; F109-F253 HydrophobicContact CD1-CZ 3.95Å; F109-F253 HydrophobicContact CD2-CE2 4.28Å; F109-F253 AromaticContact CD2-CZ 3.9Å; F109-F253 HydrophobicContact CD2-CZ 3.9Å; F109-F253 HydrophobicContact CE1-CE1 4.18Å; F109-F253 HydrophobicContact CE1-CE2 4.45Å; F109-F253 AromaticContact CE1-CZ 3.58Å; F109-F253 HydrophobicContact CE1-CZ 3.58Å; F109-F253 HydrophobicContact CE2-CE1 4.44Å; F109-F253 HydrophobicContact CE2-CE2 4.34Å; F109-F253 AromaticContact CE2-CZ 3.54Å; F109-F253 HydrophobicContact CE2-CZ 3.54Å; F109-F253 HydrophobicContact CG-CE2 4.33Å; F109-F253 HydrophobicContact CG-CZ 4.1Å; F109-F253 AromaticContact CZ-CE1 3.97Å; F109-F253 HydrophobicContact CZ-CE1 3.97Å; F109-F253 HydrophobicContact CZ-CE2 4.45Å; F109-F253 AromaticContact CZ-CZ 3.39Å; F109-F253 HydrophobicContact CZ-CZ 3.39Å; K112-F253 HydrophobicContact CD-CD2 4.35Å; L163-F253 HydrophobicContact CB-CE1 4.45Å; L163-F253 HydrophobicContact CB-CZ 4.33Å; L163-F253 HydrophobicContact CD1-CD2 4.49Å; L163-F253 HydrophobicContact CD1-CE2 4.26Å; L163-F253 HydrophobicContact CD1-CZ 4.35Å; L163-F253 HydrophobicContact CD2-CE2 3.8Å; L163-F253 HydrophobicContact CD2-CZ 3.69Å; L163-F253 HydrophobicContact CG-CZ 4.35Å; M167-F253 HydrophobicContact CB-CE1 4.48Å; M167-F253 HydrophobicContact SD-CD1 4.06Å; M167-F253 HydrophobicContact SD-CE1 3.74Å; I220-F253 HydrophobicContact CG2-CD1 3.96Å; I220-F253 HydrophobicContact CG2-CE1 4.2Å; F253-D257 HydrophobicContact CB-CB 4.1Å; F253-D257 HydrophobicContact CD1-CB 3.9Å; F253-D257 HydrophobicContact CG-CB 4.39Å; F253-M258 HydrophobicContact CB-CG 3.94Å; F253-M258 HydrophobicContact CD2-CG 4.47Å; F253-M258 HydrophobicContact CG-CG 4.37Å; F253-I261 HydrophobicContact CE1-CD1 4.26Å; F253-I261 HydrophobicContact CZ-CD1 4.47Å | ||
| 254 | S | 96.5 | Very high | 93 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | trans | -70.3 | 166 | 160 | 89.1 | 0 | 0 | 0 | 0 | 110.9 | D216 L256 D257 M258 | D216-S254 WeakPolarHBondContact OD2-CB 3.23Å; D216-S254 PolarHBondContact OD2-OG 2.79Å; S254-L256 PolarHBondContact O-N 3.09Å; S254-L256 PolarHBondContact OG-N 3.47Å; S254-L256 VanDerWaalsContact OG-N 3.08Å; S254-D257 WeakPolarHBondContact CB-OD2 3.01Å; S254-D257 PolarHBondContact N-OD2 2.91Å; S254-D257 PolarHBondContact O-N 3.3Å; S254-D257 VanDerWaalsContact OG-CG 3.27Å; S254-D257 PolarHBondContact OG-N 3.48Å; S254-D257 PolarHBondContact OG-OD2 2.84Å; S254-M258 PolarHBondContact O-N 3.43Å | ||
| 255 | S | 94.7 | Very high | 92.9 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 57% | 0.573 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.7 | -29.4 | 171.5 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | R259 | S255-R259 WeakPolarHBondContact O-CD 3.4Å; S255-R259 VanDerWaalsContact O-CG 3.26Å; S255-R259 WeakPolarHBondContact O-CG 3.13Å; S255-R259 PolarHBondContact O-N 2.84Å |
| 256 | L | 94.5 | Very high | 92.8 | Very high | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -78.2 | -34.5 | 177.7 | -77.8 | 165.8 | 0 | 0 | 0 | 111.8 | F213 D216 S254 M258 R259 K260 | F213-L256 HydrophobicContact CD1-CD2 3.77Å; F213-L256 HydrophobicContact CE1-CD2 4.43Å; D216-L256 HydrophobicContact CB-CB 4.21Å; D216-L256 HydrophobicContact CB-CD1 3.81Å; S254-L256 PolarHBondContact O-N 3.09Å; S254-L256 PolarHBondContact OG-N 3.47Å; S254-L256 VanDerWaalsContact OG-N 3.08Å; L256-M258 PolarHBondContact O-N 2.89Å; L256-R259 PolarHBondContact O-N 3.29Å; L256-K260 WeakPolarHBondContact O-CB 3.36Å; L256-K260 WeakPolarHBondContact O-CG 3.43Å; L256-K260 PolarHBondContact O-N 3.1Å |
| 257 | D | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.4 | -50.7 | 173.8 | -66.9 | -29.9 | 0 | 0 | 0 | 110.7 | M167 S219 I220 F253 S254 R259 K260 I261 | M167-D257 HydrophobicContact CE-CB 3.88Å; M167-D257 HydrophobicContact SD-CB 4.23Å; S219-D257 WeakPolarHBondContact CA-OD2 3.31Å; S219-D257 WeakPolarHBondContact CB-OD1 3.44Å; S219-D257 PolarHBondContact OG-OD1 3.5Å; I220-D257 PolarHBondContact N-OD2 3.3Å; F253-D257 HydrophobicContact CB-CB 4.1Å; F253-D257 HydrophobicContact CD1-CB 3.9Å; F253-D257 HydrophobicContact CG-CB 4.39Å; S254-D257 WeakPolarHBondContact CB-OD2 3.01Å; S254-D257 PolarHBondContact N-OD2 2.91Å; S254-D257 PolarHBondContact O-N 3.3Å; S254-D257 VanDerWaalsContact OG-CG 3.27Å; S254-D257 PolarHBondContact OG-N 3.48Å; S254-D257 PolarHBondContact OG-OD2 2.84Å; D257-R259 PolarHBondContact O-N 3.23Å; D257-K260 WeakPolarHBondContact O-CB 3.22Å; D257-K260 PolarHBondContact O-N 3.21Å; D257-I261 WeakPolarHBondContact O-CG1 3.5Å; D257-I261 PolarHBondContact O-N 3.22Å |
| 258 | M | 93.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.6 | -65.1 | -176.5 | -72.6 | 0 | 0 | 112.3 | K112 F253 S254 L256 K260 I261 N262 | K112-M258 HydrophobicContact CB-CG 4.27Å; K112-M258 HydrophobicContact CB-SD 3.78Å; K112-M258 HydrophobicContact CD-CG 4.46Å; K112-M258 HydrophobicContact CD-SD 3.52Å; K112-M258 VanDerWaalsContact CD-SD 3.52Å; K112-M258 HydrophobicContact CG-SD 3.81Å; F253-M258 HydrophobicContact CB-CG 3.94Å; F253-M258 HydrophobicContact CD2-CG 4.47Å; F253-M258 HydrophobicContact CG-CG 4.37Å; S254-M258 PolarHBondContact O-N 3.43Å; L256-M258 PolarHBondContact O-N 2.89Å; M258-K260 VanDerWaalsContact C-N 3.33Å; M258-K260 PolarHBondContact O-N 3.14Å; M258-I261 PolarHBondContact O-N 2.82Å; M258-N262 WeakPolarHBondContact O-CB 3.25Å; M258-N262 VanDerWaalsContact O-CG 3.3Å; M258-N262 PolarHBondContact O-N 2.91Å; M258-N262 PolarHBondContact O-ND2 2.98Å |
| 259 | R | 91.6 | Very high | 90.4 | Very high | 149 Ų | 149 | 45.5 Ų | 45.5 | 56% | 0.562 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.5 | -37.4 | 178.7 | -70.7 | 171.5 | 67.1 | -166.1 | 1.1 | 112 | F213 S255 L256 D257 K263 | F213-R259 HydrophobicContact CE1-CB 3.68Å; F213-R259 HydrophobicContact CZ-CB 3.89Å; F213-R259 WeakPolarHBondContact CZ-O 3.39Å; S255-R259 WeakPolarHBondContact O-CD 3.4Å; S255-R259 VanDerWaalsContact O-CG 3.26Å; S255-R259 WeakPolarHBondContact O-CG 3.13Å; S255-R259 PolarHBondContact O-N 2.84Å; L256-R259 PolarHBondContact O-N 3.29Å; D257-R259 PolarHBondContact O-N 3.23Å; R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.18Å; R259-K263 PolarHBondContact O-N 2.82Å |
| 260 | K | 93.1 | Very high | 88.6 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.052 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 175.4 | -75.4 | 167.3 | -178.1 | 175 | 0 | 110.4 | F172 E175 F213 L256 D257 M258 K263 L264 | F172-K260 HydrophobicContact CE1-CB 3.61Å; F172-K260 HydrophobicContact CE1-CD 4.43Å; F172-K260 HydrophobicContact CE1-CG 4.44Å; F172-K260 HydrophobicContact CZ-CB 3.83Å; E175-K260 IonicContact OE1-NZ 3.89Å; E175-K260 PolarHBondContact OE1-NZ 2.99Å; E175-K260 IonicContact OE2-NZ 3.21Å; E175-K260 PolarHBondContact OE2-NZ 2.81Å; F213-K260 HydrophobicContact CB-CG 4.35Å; F213-K260 HydrophobicContact CD2-CB 4.44Å; F213-K260 HydrophobicContact CD2-CG 3.57Å; F213-K260 HydrophobicContact CE2-CB 4.3Å; F213-K260 HydrophobicContact CE2-CG 3.88Å; F213-K260 HydrophobicContact CG-CG 3.91Å; F213-K260 HydrophobicContact CZ-CG 4.49Å; L256-K260 WeakPolarHBondContact O-CB 3.36Å; L256-K260 WeakPolarHBondContact O-CG 3.43Å; L256-K260 PolarHBondContact O-N 3.1Å; D257-K260 WeakPolarHBondContact O-CB 3.22Å; D257-K260 PolarHBondContact O-N 3.21Å; M258-K260 VanDerWaalsContact C-N 3.33Å; M258-K260 PolarHBondContact O-N 3.14Å; K260-K263 PolarHBondContact O-N 3.12Å; K260-L264 WeakPolarHBondContact O-CB 3.43Å; K260-L264 PolarHBondContact O-N 2.67Å |
| 261 | I | 92.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -50 | 176.8 | -63 | 159.7 | 0 | 0 | 0 | 110.4 | F109 T113 I115 M167 V170 F172 F253 D257 M258 K263 L264 Y265 | F109-I261 HydrophobicContact CD1-CD1 4.19Å; F109-I261 HydrophobicContact CE1-CD1 3.81Å; T113-I261 HydrophobicContact CG2-CB 4.04Å; T113-I261 HydrophobicContact CG2-CD1 4.27Å; T113-I261 HydrophobicContact CG2-CG2 3.7Å; I115-I261 HydrophobicContact CD1-CG2 4.38Å; I115-I261 HydrophobicContact CG1-CG2 3.67Å; M167-I261 HydrophobicContact CE-CD1 4.24Å; M167-I261 HydrophobicContact CE-CG1 4.22Å; M167-I261 HydrophobicContact SD-CD1 4.28Å; V170-I261 HydrophobicContact CG1-CG1 4.47Å; V170-I261 HydrophobicContact CG1-CG2 4.26Å; F172-I261 HydrophobicContact CD2-CG1 4.2Å; F172-I261 HydrophobicContact CE2-CB 4.23Å; F172-I261 HydrophobicContact CE2-CG1 3.47Å; F172-I261 VanDerWaalsContact CE2-CG1 3.47Å; F172-I261 HydrophobicContact CZ-CB 4.5Å; F172-I261 HydrophobicContact CZ-CG1 3.98Å; F253-I261 HydrophobicContact CE1-CD1 4.26Å; F253-I261 HydrophobicContact CZ-CD1 4.47Å; D257-I261 WeakPolarHBondContact O-CG1 3.5Å; D257-I261 PolarHBondContact O-N 3.22Å; M258-I261 PolarHBondContact O-N 2.82Å; I261-K263 VanDerWaalsContact C-N 3.29Å; I261-K263 PolarHBondContact O-N 3.33Å; I261-L264 PolarHBondContact O-N 2.89Å; I261-L264 VanDerWaalsContact O-N 3.11Å; I261-Y265 HydrophobicContact CG2-CD2 4.49Å; I261-Y265 PolarHBondContact O-N 2.97Å |
| 262 | N | 91.3 | Very high | 84 | Confident | 41 Ų | 41 | 54 Ų | 54 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -34 | -177.2 | -72.3 | -24.1 | 0 | 0 | 0 | 113.4 | K112 T113 M258 D266 C267 | K112-N262 PolarHBondContact O-ND2 3.16Å; T113-N262 WeakPolarHBondContact CA-OD1 2.95Å; T113-N262 WeakPolarHBondContact CB-OD1 3.36Å; T113-N262 WeakPolarHBondContact CG2-OD1 3.31Å; M258-N262 WeakPolarHBondContact O-CB 3.25Å; M258-N262 VanDerWaalsContact O-CG 3.3Å; M258-N262 PolarHBondContact O-N 2.91Å; M258-N262 PolarHBondContact O-ND2 2.98Å; N262-D266 WeakPolarHBondContact O-CA 3.47Å; N262-D266 PolarHBondContact O-N 3.14Å; N262-D266 VanDerWaalsContact O-N 3.09Å; N262-C267 VanDerWaalsContact CA-SG 3.57Å; N262-C267 HydrophobicContact CB-CB 4.17Å; N262-C267 PolarHBondContact O-N 3.3Å; N262-C267 PolarHBondContact OD1-SG 2.86Å |
| 263 | K | 89.6 | Confident | 81.3 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.3 | -39.9 | 173.3 | -175.9 | 170.3 | -179.1 | 175 | 0 | 112 | N211 F213 R259 K260 I261 Y265 D266 | N211-K263 HydrophobicContact CB-CD 4.1Å; N211-K263 PolarHBondContact O-NZ 3.3Å; F213-K263 HydrophobicContact CE2-CB 3.96Å; F213-K263 HydrophobicContact CE2-CD 3.56Å; F213-K263 HydrophobicContact CE2-CG 4.32Å; F213-K263 HydrophobicContact CZ-CB 4.03Å; F213-K263 HydrophobicContact CZ-CD 3.82Å; R259-K263 VanDerWaalsContact O-CB 3.31Å; R259-K263 WeakPolarHBondContact O-CB 3.18Å; R259-K263 PolarHBondContact O-N 2.82Å; K260-K263 PolarHBondContact O-N 3.12Å; I261-K263 VanDerWaalsContact C-N 3.29Å; I261-K263 PolarHBondContact O-N 3.33Å; K263-Y265 VanDerWaalsContact C-N 3.29Å; K263-Y265 PolarHBondContact O-N 3.45Å; K263-D266 PolarHBondContact O-N 3.25Å |
| 264 | L | 89.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 11% | 0.105 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | 179.8 | -175.7 | 67.5 | 0 | 0 | 0 | 111.7 | R80 F172 K260 I261 | R80-L264 VanDerWaalsContact CZ-O 3.29Å; R80-L264 PolarHBondContact NH1-O 3.27Å; F172-L264 HydrophobicContact CD2-CD2 4.46Å; F172-L264 HydrophobicContact CE1-CD2 4.49Å; F172-L264 HydrophobicContact CE2-CD2 3.66Å; F172-L264 HydrophobicContact CZ-CB 4.16Å; F172-L264 HydrophobicContact CZ-CD2 3.67Å; K260-L264 WeakPolarHBondContact O-CB 3.43Å; K260-L264 PolarHBondContact O-N 2.67Å; I261-L264 PolarHBondContact O-N 2.89Å; I261-L264 VanDerWaalsContact O-N 3.11Å |
| 265 | Y | 90.3 | Very high | 75.3 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 12.9 | -179.3 | -75.8 | -91.9 | 0 | 0 | 0 | 114 | R80 W81 G84 I115 V170 I261 K263 C267 N270 | R80-Y265 HydrophobicContact CB-CE1 4.15Å; W81-Y265 HydrophobicContact CB-CE1 4.19Å; W81-Y265 PolarHBondContact N-OH 3.24Å; W81-Y265 WeakPolarHBondContact O-CE1 3.31Å; G84-Y265 VanDerWaalsContact CA-CD1 3.41Å; I115-Y265 HydrophobicContact CD1-CD1 3.76Å; I115-Y265 HydrophobicContact CD1-CD2 3.57Å; I115-Y265 HydrophobicContact CD1-CE1 3.86Å; I115-Y265 HydrophobicContact CD1-CE2 3.7Å; I115-Y265 HydrophobicContact CD1-CG 3.6Å; V170-Y265 HydrophobicContact CG1-CD2 4.33Å; V170-Y265 HydrophobicContact CG1-CE2 3.58Å; V170-Y265 WeakPolarHBondContact O-CE2 3.23Å; V170-Y265 PolarHBondContact O-OH 2.91Å; I261-Y265 HydrophobicContact CG2-CD2 4.49Å; I261-Y265 PolarHBondContact O-N 2.97Å; K263-Y265 VanDerWaalsContact C-N 3.29Å; K263-Y265 PolarHBondContact O-N 3.45Å; Y265-C267 PolarHBondContact O-N 3.13Å; Y265-C267 VanDerWaalsContact O-N 3.12Å; Y265-N270 PolarHBondContact O-ND2 2.97Å |
| 266 | D | 88 | Confident | 72.3 | Confident | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 45.3 | 178.2 | -161.8 | 17.8 | 0 | 0 | 0 | 114.3 | N262 K263 N268 N269 N270 | N262-D266 WeakPolarHBondContact O-CA 3.47Å; N262-D266 PolarHBondContact O-N 3.14Å; N262-D266 VanDerWaalsContact O-N 3.09Å; K263-D266 PolarHBondContact O-N 3.25Å; D266-N268 PolarHBondContact O-N 2.87Å; D266-N268 VanDerWaalsContact O-N 3.1Å; D266-N269 PolarHBondContact O-N 2.61Å; D266-N269 PolarHBondContact OD1-ND2 3.29Å; D266-N269 WeakPolarHBondContact OD2-CB 3.19Å; D266-N269 PolarHBondContact OD2-ND2 3.44Å; D266-N270 PolarHBondContact O-N 2.94Å |
| 267 | C | 86.7 | Confident | 69.4 | Low | 3 Ų | 3 | 73.9 Ų | 73.9 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.7 | -32.7 | -169.9 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | C114 N262 Y265 N269 N270 F271 | C114-C267 HydrophobicContact CB-CB 3.5Å; C114-C267 WeakPolarHBondContact CB-SG 3.48Å; C114-C267 PolarHBondContact N-SG 2.76Å; C114-C267 WeakPolarHBondContact SG-CA 3.45Å; C114-C267 WeakPolarHBondContact SG-CB 3.1Å; C114-C267 CovalentContact SG-SG 2.02Å; C114-C267 PolarHBondContact SG-SG 2.76Å; N262-C267 VanDerWaalsContact CA-SG 3.57Å; N262-C267 HydrophobicContact CB-CB 4.17Å; N262-C267 PolarHBondContact O-N 3.3Å; N262-C267 PolarHBondContact OD1-SG 2.86Å; Y265-C267 PolarHBondContact O-N 3.13Å; Y265-C267 VanDerWaalsContact O-N 3.12Å; C267-N269 VanDerWaalsContact C-N 3.29Å; C267-N269 PolarHBondContact O-N 3.38Å; C267-N270 PolarHBondContact O-N 2.82Å; C267-F271 HydrophobicContact CB-CE2 4.27Å; C267-F271 WeakPolarHBondContact O-CD2 3.38Å; C267-F271 PolarHBondContact O-N 3.29Å |
| 268 | N | 76.8 | Confident | 66.5 | Low | 125 Ų | 125 | 82.6 Ų | 82.6 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.6 | -29.3 | -179.4 | -66.5 | -16.1 | 0 | 0 | 0 | 113.3 | D266 | D266-N268 PolarHBondContact O-N 2.87Å; D266-N268 VanDerWaalsContact O-N 3.1Å |
| 269 | N | 65.8 | Low | 63.5 | Low | 81 Ų | 81 | 89.3 Ų | 89.3 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -92.2 | -32.7 | 178 | -64.3 | -22.6 | 0 | 0 | 0 | 111.4 | D266 C267 F271 Q272 | D266-N269 PolarHBondContact O-N 2.61Å; D266-N269 PolarHBondContact OD1-ND2 3.29Å; D266-N269 WeakPolarHBondContact OD2-CB 3.19Å; D266-N269 PolarHBondContact OD2-ND2 3.44Å; C267-N269 VanDerWaalsContact C-N 3.29Å; C267-N269 PolarHBondContact O-N 3.38Å; N269-F271 VanDerWaalsContact C-N 3.26Å; N269-F271 PolarHBondContact O-N 2.94Å; N269-Q272 WeakPolarHBondContact O-CB 3.41Å; N269-Q272 PolarHBondContact O-N 3.17Å |
| 270 | N | 55.6 | Low | 60.9 | Low | 70 Ų | 70 | 87.2 Ų | 87.2 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -71.2 | -16.5 | 179.9 | -73.3 | -23.3 | 0 | 0 | 0 | 114 | Y265 D266 C267 Q272 T273 | Y265-N270 PolarHBondContact O-ND2 2.97Å; D266-N270 PolarHBondContact O-N 2.94Å; C267-N270 PolarHBondContact O-N 2.82Å; N270-Q272 VanDerWaalsContact C-N 3.35Å; N270-T273 PolarHBondContact O-OG1 3.44Å |
| 271 | F | 50.1 | Low | 58.1 | Low | 95 Ų | 95 | 92.4 Ų | 92.4 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9 | 167.7 | -73 | -66.2 | 0 | 0 | 0 | 114 | C114 C267 N269 | C114-F271 HydrophobicContact CB-CE2 3.69Å; C114-F271 HydrophobicContact CB-CZ 3.79Å; C267-F271 HydrophobicContact CB-CE2 4.27Å; C267-F271 WeakPolarHBondContact O-CD2 3.38Å; C267-F271 PolarHBondContact O-N 3.29Å; N269-F271 VanDerWaalsContact C-N 3.26Å; N269-F271 PolarHBondContact O-N 2.94Å |
| 272 | Q | 38.9 | Very low | 55.3 | Low | 142 Ų | 142 | 96 Ų | 96 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -90.5 | -7.7 | -179.9 | -62.7 | -176.9 | 9.5 | 0 | 0 | 113.7 | N269 N270 | N269-Q272 WeakPolarHBondContact O-CB 3.41Å; N269-Q272 PolarHBondContact O-N 3.17Å; N270-Q272 VanDerWaalsContact C-N 3.35Å |
| 273 | T | 36.4 | Very low | 52.6 | Low | 115 Ų | 115 | 101.9 Ų | 101.9 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -98.3 | 6.9 | -171.1 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | N270 | N270-T273 PolarHBondContact O-OG1 3.44Š|
| 274 | A | 34.6 | Very low | 50.2 | Low | 102 Ų | 102 | 104 Ų | 104 | 84% | 0.843 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -116.9 | 58.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 275 | G | 31.3 | Very low | 47.5 | Very low | 59 Ų | 59 | 113 Ų | 113 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 170.1 | 135.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 276 | P | 32.1 | Very low | 44.8 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 55% | 0.552 | 67% | 0.665 | S | S | * | * | trans | -114 | 147.6 | -153.3 | 44.7 | -35.7 | 0 | 0 | 0 | 114.8 | ||||
| 277 | Y | 33.7 | Very low | 42.3 | Very low | 211 Ų | 211 | 124.6 Ų | 124.6 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | trans | 60.5 | 136.1 | 160 | -5.6 | -81.6 | 0 | 0 | 0 | 119.9 | ||||
| 278 | E | 35.1 | Very low | 39.7 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | 92.9 | 95.6 | 152.1 | -62.4 | -175.9 | -177 | 0 | 0 | 119.9 | ||||
| 279 | E | 31.7 | Very low | 37.7 | Very low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | 3.6 | 120.2 | 127.4 | -74.3 | 175.8 | 148.8 | 0 | 0 | 116.6 | |||||
| 280 | S | 35.9 | Very low | 36.2 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | 163.2 | 122.7 | 101.7 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 281 | S | 35.1 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | 34.6 | 114.2 | 141.4 | 54.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 282 | G | 33.9 | Very low | 35 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 175 | 89.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I284 | G282-I284 PolarHBondContact O-N 3.04Š| ||
| 283 | N | 34.3 | Very low | 35 | Very low | 164 Ų | 164 | 139 Ų | 139 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -64.2 | 125.1 | 166.2 | -78.9 | -33.4 | 0 | 0 | 0 | 110.3 | ||||
| 284 | I | 38.4 | Very low | 35.3 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -133.7 | 111.2 | 156.1 | -61.9 | -178.7 | 0 | 0 | 0 | 108.4 | G282 | G282-I284 PolarHBondContact O-N 3.04Š| ||
| 285 | F | 32.7 | Very low | 36.3 | Very low | 209 Ų | 209 | 138.8 Ų | 138.8 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -64.7 | 125.9 | 157 | -90.6 | -104.7 | 0 | 0 | 0 | 108 | ||||
| 286 | D | 33.8 | Very low | 38 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -146.6 | 148.4 | 150.2 | -158.8 | 10.5 | 0 | 0 | 0 | 111.7 | ||||
| 287 | Q | 34.6 | Very low | 40.5 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -88.5 | 147.1 | -160.7 | -58.8 | 174 | -10.9 | 0 | 0 | 111.3 | ||||
| 288 | G | 32.6 | Very low | 43.1 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | trans | 80.6 | 87.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 289 | T | 35.9 | Very low | 45.7 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | -175.8 | 132.5 | 119.8 | 35.6 | 0 | 0 | 0 | 0 | 106.5 | E291 | T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 PolarHBondContact O-N 3.11Å | |||
| 290 | N | 33.6 | Very low | 48.4 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 95% | 0.947 | 70% | 0.703 | S | S | * | * | trans | -72.5 | 83 | 177.4 | -76.3 | -37.4 | 0 | 0 | 0 | 110.4 | ||||
| 291 | E | 37.4 | Very low | 51 | Low | 162 Ų | 162 | 116.8 Ų | 116.8 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -139.5 | 138.1 | 152.6 | -79.1 | -150.8 | 154.9 | 0 | 0 | 108.5 | T289 V293 | T289-E291 VanDerWaalsContact C-N 3.31Å; T289-E291 PolarHBondContact O-N 3.11Å; E291-V293 PolarHBondContact O-N 3.15Å |
| 292 | P | 42.2 | Very low | 53.5 | Low | 133 Ų | 133 | 112 Ų | 112 | 86% | 0.864 | 64% | 0.638 | S | S | * | * | trans | -69.1 | 102.9 | 172.9 | 24.6 | -21.1 | 0 | 0 | 0 | 107.9 | N294 | P292-N294 PolarHBondContact O-N 3.23Å; P292-N294 VanDerWaalsContact O-N 3.16Å | ||
| 293 | V | 40.5 | Very low | 56.3 | Low | 139 Ų | 139 | 108.5 Ų | 108.5 | 84% | 0.842 | 60% | 0.602 | S | S | * | * | trans | -55.7 | 117.4 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | E291 | E291-V293 PolarHBondContact O-N 3.15Š| ||
| 294 | N | 42.1 | Very low | 59.1 | Low | 131 Ų | 131 | 100.7 Ų | 100.7 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | trans | -42.7 | 133.6 | 166.9 | -162.3 | 11 | 0 | 0 | 0 | 111.6 | P292 | P292-N294 PolarHBondContact O-N 3.23Å; P292-N294 VanDerWaalsContact O-N 3.16Å | ||
| 295 | A | 55.3 | Low | 61.7 | Low | 82 Ų | 82 | 101.3 Ų | 101.3 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | trans | -133.3 | -7.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 296 | F | 67.2 | Low | 64.6 | Low | 146 Ų | 146 | 93.9 Ų | 93.9 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | trans | -142 | 114.7 | 176.8 | -69.3 | -78.5 | 0 | 0 | 0 | 110.8 | V298 | F296-V298 HydrophobicContact CB-CG1 4.03Å; F296-V298 PolarHBondContact O-N 3.23Å | ||
| 297 | C | 85.1 | Confident | 67.5 | Low | 50 Ų | 50 | 87.4 Ų | 87.4 | 34% | 0.338 | 50% | 0.496 | S | S | . | . | trans | -78.8 | 101 | 171.3 | -171 | 0 | 0 | 0 | 0 | 109.3 | C333 | C297-C333 HydrophobicContact CB-CB 3.52Å; C297-C333 WeakPolarHBondContact CB-SG 3.34Å; C297-C333 WeakPolarHBondContact SG-CA 3.38Å; C297-C333 WeakPolarHBondContact SG-CB 3.32Å; C297-C333 CovalentContact SG-SG 1.99Å; C297-C333 PolarHBondContact SG-SG 2.78Å | ||
| 298 | V | 86.9 | Confident | 70.4 | Confident | 44 Ų | 44 | 80 Ų | 80 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | trans | -131.4 | 151.9 | -174.2 | -66 | 0 | 0 | 0 | 0 | 110.9 | F296 F300 P327 | F296-V298 HydrophobicContact CB-CG1 4.03Å; F296-V298 PolarHBondContact O-N 3.23Å; V298-F300 HydrophobicContact CG2-CD1 4.38Å; V298-F300 HydrophobicContact CG2-CE1 3.78Å; V298-F300 HydrophobicContact CG2-CZ 3.93Å; V298-P327 WeakPolarHBondContact O-CD 3.47Å; V298-P327 VanDerWaalsContact O-CG 3.3Å; V298-P327 WeakPolarHBondContact O-CG 3.38Å | ||
| 299 | D | 90.4 | Very high | 73.4 | Confident | 35 Ų | 35 | 81 Ų | 81 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | trans | -76.7 | 128.5 | 170.6 | -72.5 | -25.9 | 0 | 0 | 0 | 110.6 | C304 C326 A328 A329 | D299-C304 HydrophobicContact CB-CB 3.7Å; D299-C304 VanDerWaalsContact CG-CB 3.41Å; D299-C304 WeakPolarHBondContact OD2-CB 3.27Å; D299-C326 WeakPolarHBondContact OD1-CA 3.34Å; D299-A328 WeakPolarHBondContact OD1-CB 3.4Å; D299-A328 PolarHBondContact OD1-N 2.64Å; D299-A328 VanDerWaalsContact OD1-N 3.14Å; D299-A329 PolarHBondContact OD1-N 2.73Å; D299-A329 VanDerWaalsContact OD2-CB 3.3Å; D299-A329 WeakPolarHBondContact OD2-CB 3.5Å; D299-A329 PolarHBondContact OD2-N 2.8Å | ||
| 300 | F | 88.6 | Confident | 76.2 | Confident | 89 Ų | 89 | 77.6 Ų | 77.6 | 39% | 0.39 | 45% | 0.452 | S | S | . | . | trans | -93.1 | -3.3 | -179.1 | -60.9 | -71.9 | 0 | 0 | 0 | 113.4 | Q110 V298 A324 T325 | Q110-F300 WeakPolarHBondContact CB-O 3.47Å; V298-F300 HydrophobicContact CG2-CD1 4.38Å; V298-F300 HydrophobicContact CG2-CE1 3.78Å; V298-F300 HydrophobicContact CG2-CZ 3.93Å; F300-A324 WeakPolarHBondContact CD2-O 3.32Å; F300-T325 HydrophobicContact CB-CG2 4.46Å; F300-T325 WeakPolarHBondContact CB-O 3.34Å; F300-T325 PolarHBondContact N-O 3.02Å | ||
| 301 | N | 90.5 | Very high | 79.1 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -133.9 | 138.1 | -178.4 | -169.2 | -60.9 | 0 | 0 | 0 | 111.8 | F15 Q110 H303 C304 W307 T325 | F15-N301 WeakPolarHBondContact CE1-ND2 3.4Å; Q110-N301 PolarHBondContact NE2-ND2 2.93Å; N301-H303 PolarHBondContact O-N 3.28Å; N301-H303 VanDerWaalsContact O-N 3.09Å; N301-H303 VanDerWaalsContact OD1-CB 3.32Å; N301-H303 WeakPolarHBondContact OD1-CB 3.36Å; N301-H303 PolarHBondContact OD1-CD2 3.07Å; N301-H303 PolarHBondContact OD1-N 3Å; N301-C304 WeakPolarHBondContact O-CB 3.35Å; N301-C304 PolarHBondContact O-N 3.47Å; N301-C304 VanDerWaalsContact O-N 3.09Å; N301-C304 PolarHBondContact O-SG 2.89Å; N301-W307 HydrophobicContact CB-CZ3 4.13Å; N301-T325 HydrophobicContact CB-CG2 3.49Å; N301-T325 VanDerWaalsContact CB-CG2 3.49Å |
| 302 | G | 87.1 | Confident | 81.9 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 21% | 0.206 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 303 | H | 92.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5.1 | 178 | -65.7 | -107 | 0 | 0 | 0 | 114.4 | L10 F15 Y88 N301 K305 S306 W307 | L10-H303 PolarHBondContact O-CE1 2.83Å; L10-H303 VanDerWaalsContact O-CE1 3.28Å; F15-H303 AromaticContact CE2-CD2 3.71Å; F15-H303 AromaticContact CE2-NE2 3.67Å; F15-H303 AromaticContact CZ-CD2 3.71Å; F15-H303 AromaticContact CZ-NE2 3.69Å; Y88-H303 AromaticContact CE1-NE2 3.67Å; Y88-H303 AromaticContact CZ-CE1 3.91Å; Y88-H303 AromaticContact CZ-NE2 3.59Å; Y88-H303 PolarHBondContact OH-CE1 2.84Å; Y88-H303 PolarHBondContact OH-NE2 2.89Å; N301-H303 PolarHBondContact O-N 3.28Å; N301-H303 VanDerWaalsContact O-N 3.09Å; N301-H303 VanDerWaalsContact OD1-CB 3.32Å; N301-H303 WeakPolarHBondContact OD1-CB 3.36Å; N301-H303 PolarHBondContact OD1-CD2 3.07Å; N301-H303 PolarHBondContact OD1-N 3Å; H303-K305 VanDerWaalsContact C-N 3.29Å; H303-K305 PolarHBondContact O-N 3.07Å; H303-K305 VanDerWaalsContact O-N 3.16Å; H303-S306 PolarHBondContact O-N 3.01Å; H303-S306 PolarHBondContact O-OG 3.16Å; H303-W307 HydrophobicContact CB-CD2 3.54Å; H303-W307 HydrophobicContact CB-CE3 3.91Å; H303-W307 HydrophobicContact CB-CG 4.13Å; H303-W307 HydrophobicContact CB-CH2 3.73Å; H303-W307 HydrophobicContact CB-CZ2 3.35Å; H303-W307 HydrophobicContact CB-CZ3 3.99Å; H303-W307 AromaticContact CG-CE2 3.87Å; H303-W307 AromaticContact CG-CZ2 3.66Å; H303-W307 AromaticContact ND1-NE1 3.96Å; H303-W307 PolarHBondContact O-N 2.96Å |
| 304 | C | 94.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.8 | -42.9 | -170.7 | -72.5 | 0 | 0 | 0 | 0 | 113.7 | D299 N301 W307 A308 T325 C326 A329 | D299-C304 HydrophobicContact CB-CB 3.7Å; D299-C304 VanDerWaalsContact CG-CB 3.41Å; D299-C304 WeakPolarHBondContact OD2-CB 3.27Å; N301-C304 WeakPolarHBondContact O-CB 3.35Å; N301-C304 PolarHBondContact O-N 3.47Å; N301-C304 VanDerWaalsContact O-N 3.09Å; N301-C304 PolarHBondContact O-SG 2.89Å; C304-W307 PolarHBondContact O-N 3.32Å; C304-A308 VanDerWaalsContact O-CB 3.27Å; C304-A308 WeakPolarHBondContact O-CB 3.38Å; C304-A308 PolarHBondContact O-N 3.3Å; C304-T325 PolarHBondContact SG-O 3.25Å; C304-T325 VanDerWaalsContact SG-O 3.4Å; C304-C326 WeakPolarHBondContact CA-SG 3.4Å; C304-C326 HydrophobicContact CB-CB 3.48Å; C304-C326 VanDerWaalsContact CB-CB 3.48Å; C304-C326 WeakPolarHBondContact CB-SG 3.43Å; C304-C326 WeakPolarHBondContact SG-CA 3.36Å; C304-C326 WeakPolarHBondContact SG-CB 3.14Å; C304-C326 CovalentContact SG-SG 2.02Å; C304-C326 PolarHBondContact SG-SG 2.72Å; C304-A329 HydrophobicContact CB-CB 3.84Å; C304-A329 WeakPolarHBondContact O-CB 3.39Å |
| 305 | K | 93 | Very high | 89.6 | Confident | 171 Ų | 171 | 62.4 Ų | 62.4 | 74% | 0.743 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 176.7 | -65.8 | -178.5 | -178.2 | 173.7 | 0 | 112.6 | H303 A309 | H303-K305 VanDerWaalsContact C-N 3.29Å; H303-K305 PolarHBondContact O-N 3.07Å; H303-K305 VanDerWaalsContact O-N 3.16Å; K305-A309 WeakPolarHBondContact O-CB 3.41Å; K305-A309 PolarHBondContact O-N 2.91Å |
| 306 | S | 92.6 | Very high | 91.4 | Very high | 53 Ų | 53 | 63.5 Ų | 63.5 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | -179.1 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | H303 A309 A310 | H303-S306 PolarHBondContact O-N 3.01Å; H303-S306 PolarHBondContact O-OG 3.16Å; S306-A309 PolarHBondContact O-N 2.83Å; S306-A310 WeakPolarHBondContact O-CB 3.36Å; S306-A310 PolarHBondContact O-N 2.95Å |
| 307 | W | 95.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 4% | 0.042 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.7 | -66.7 | -19 | 0 | 0 | 0 | 112.7 | I12 F15 N301 H303 C304 A310 G311 Y312 Y321 M322 | I12-W307 HydrophobicContact CB-CD2 4.16Å; I12-W307 HydrophobicContact CB-CZ2 4.1Å; I12-W307 HydrophobicContact CD1-CD2 4.25Å; I12-W307 HydrophobicContact CD1-CE3 4.29Å; I12-W307 HydrophobicContact CG1-CD2 4.33Å; I12-W307 HydrophobicContact CG1-CE3 4.45Å; I12-W307 HydrophobicContact CG1-CZ2 4.46Å; F15-W307 HydrophobicContact CB-CH2 4.18Å; F15-W307 AromaticContact CD2-CH2 3.44Å; F15-W307 HydrophobicContact CD2-CH2 3.44Å; F15-W307 VanDerWaalsContact CD2-CH2 3.44Å; F15-W307 AromaticContact CD2-CZ2 3.34Å; F15-W307 HydrophobicContact CD2-CZ2 3.34Å; F15-W307 AromaticContact CE2-CH2 3.85Å; F15-W307 HydrophobicContact CE2-CH2 3.85Å; F15-W307 AromaticContact CE2-CZ2 3.63Å; F15-W307 HydrophobicContact CE2-CZ2 3.63Å; F15-W307 AromaticContact CG-CH2 3.82Å; F15-W307 HydrophobicContact CG-CH2 3.82Å; F15-W307 HydrophobicContact CG-CZ2 4.18Å; N301-W307 HydrophobicContact CB-CZ3 4.13Å; H303-W307 HydrophobicContact CB-CD2 3.54Å; H303-W307 HydrophobicContact CB-CE3 3.91Å; H303-W307 HydrophobicContact CB-CG 4.13Å; H303-W307 HydrophobicContact CB-CH2 3.73Å; H303-W307 HydrophobicContact CB-CZ2 3.35Å; H303-W307 HydrophobicContact CB-CZ3 3.99Å; H303-W307 AromaticContact CG-CE2 3.87Å; H303-W307 AromaticContact CG-CZ2 3.66Å; H303-W307 AromaticContact ND1-NE1 3.96Å; H303-W307 PolarHBondContact O-N 2.96Å; C304-W307 PolarHBondContact O-N 3.32Å; W307-A310 PolarHBondContact O-N 3.04Å; W307-G311 PolarHBondContact O-N 2.84Å; W307-Y312 HydrophobicContact CB-CD2 3.84Å; W307-Y312 HydrophobicContact CB-CG 4.49Å; W307-Y312 HydrophobicContact CG-CD2 4.21Å; W307-Y312 VanDerWaalsContact O-CD2 3.31Å; W307-Y312 WeakPolarHBondContact O-CD2 3.27Å; W307-Y312 PolarHBondContact O-N 3.38Å; W307-Y312 VanDerWaalsContact O-N 3.15Å; W307-Y321 HydrophobicContact CE3-CE1 4.47Å; W307-Y321 HydrophobicContact CH2-CE1 4.22Å; W307-Y321 AromaticContact CZ3-CE1 3.75Å; W307-Y321 HydrophobicContact CZ3-CE1 3.75Å; W307-M322 HydrophobicContact CB-CE 3.64Å; W307-M322 HydrophobicContact CB-SD 3.89Å; W307-M322 HydrophobicContact CD2-SD 4.37Å; W307-M322 HydrophobicContact CE3-CE 4.5Å; W307-M322 HydrophobicContact CE3-SD 3.8Å; W307-M322 HydrophobicContact CG-SD 4.47Å |
| 308 | A | 95.4 | Very high | 93 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 20% | 0.198 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C304 A310 G311 A329 | C304-A308 VanDerWaalsContact O-CB 3.27Å; C304-A308 WeakPolarHBondContact O-CB 3.38Å; C304-A308 PolarHBondContact O-N 3.3Å; A308-A310 PolarHBondContact O-N 3.05Å; A308-G311 PolarHBondContact O-N 3.39Å; A308-A329 HydrophobicContact CB-CB 3.73Å; A308-A329 WeakPolarHBondContact CB-O 3.41Å |
| 309 | A | 94.7 | Very high | 93.3 | Very high | 92 Ų | 92 | 63.8 Ų | 63.8 | 76% | 0.76 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.3 | -31.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K305 S306 G311 | K305-A309 WeakPolarHBondContact O-CB 3.41Å; K305-A309 PolarHBondContact O-N 2.91Å; S306-A309 PolarHBondContact O-N 2.83Å; A309-G311 VanDerWaalsContact C-N 3.26Å; A309-G311 PolarHBondContact O-N 3.06Å |
| 310 | A | 94.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -2.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S306 W307 A308 Y312 | S306-A310 WeakPolarHBondContact O-CB 3.36Å; S306-A310 PolarHBondContact O-N 2.95Å; W307-A310 PolarHBondContact O-N 3.04Å; A308-A310 PolarHBondContact O-N 3.05Å; A310-Y312 HydrophobicContact CB-CD2 3.77Å; A310-Y312 HydrophobicContact CB-CE2 3.64Å |
| 311 | G | 95.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 5.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W307 A308 A309 C313 R314 | W307-G311 PolarHBondContact O-N 2.84Å; A308-G311 PolarHBondContact O-N 3.39Å; A309-G311 VanDerWaalsContact C-N 3.26Å; A309-G311 PolarHBondContact O-N 3.06Å; G311-C313 PolarHBondContact O-N 3.28Å; G311-C313 VanDerWaalsContact O-N 3.11Å; G311-R314 PolarHBondContact O-N 2.66Å |
| 312 | Y | 96.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 66.4 Ų | 66.4 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.5 | -176.4 | -71.6 | -71.8 | 0 | 0 | 0 | 113.8 | I12 W307 A310 R314 L315 Y318 | I12-Y312 HydrophobicContact CD1-CD1 4.17Å; I12-Y312 HydrophobicContact CD1-CG 4.06Å; I12-Y312 HydrophobicContact CG2-CD1 3.91Å; I12-Y312 HydrophobicContact CG2-CE1 3.52Å; I12-Y312 HydrophobicContact CG2-CE2 4.21Å; I12-Y312 HydrophobicContact CG2-CG 4.41Å; W307-Y312 HydrophobicContact CB-CD2 3.84Å; W307-Y312 HydrophobicContact CB-CG 4.49Å; W307-Y312 HydrophobicContact CG-CD2 4.21Å; W307-Y312 VanDerWaalsContact O-CD2 3.31Å; W307-Y312 WeakPolarHBondContact O-CD2 3.27Å; W307-Y312 PolarHBondContact O-N 3.38Å; W307-Y312 VanDerWaalsContact O-N 3.15Å; A310-Y312 HydrophobicContact CB-CD2 3.77Å; A310-Y312 HydrophobicContact CB-CE2 3.64Å; Y312-R314 PolarHBondContact O-N 2.73Å; Y312-R314 VanDerWaalsContact O-N 3.16Å; Y312-L315 HydrophobicContact CD1-CD1 3.92Å; Y312-L315 HydrophobicContact CE1-CD1 4.25Å; Y312-L315 PolarHBondContact O-N 2.67Å; Y312-Y318 HydrophobicContact CD1-CD1 4.06Å; Y312-Y318 AromaticContact CD1-CD2 3.56Å; Y312-Y318 HydrophobicContact CD1-CD2 3.56Å; Y312-Y318 HydrophobicContact CD1-CE1 4.39Å; Y312-Y318 AromaticContact CD1-CE2 3.9Å; Y312-Y318 HydrophobicContact CD1-CE2 3.9Å; Y312-Y318 AromaticContact CD1-CG 3.64Å; Y312-Y318 HydrophobicContact CD1-CG 3.64Å; Y312-Y318 HydrophobicContact CE1-CD1 4.45Å; Y312-Y318 HydrophobicContact CE1-CD2 4.01Å; Y312-Y318 HydrophobicContact CE1-CE1 4.33Å; Y312-Y318 AromaticContact CE1-CE2 3.84Å; Y312-Y318 HydrophobicContact CE1-CE2 3.84Å; Y312-Y318 HydrophobicContact CE1-CG 4.31Å |
| 313 | C | 96.2 | Very high | 94 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 17% | 0.169 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.6 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | G311 C330 | G311-C313 PolarHBondContact O-N 3.28Å; G311-C313 VanDerWaalsContact O-N 3.11Å; C313-C330 HydrophobicContact CB-CB 3.72Å; C313-C330 WeakPolarHBondContact CB-SG 3.25Å; C313-C330 WeakPolarHBondContact SG-CA 3.35Å; C313-C330 WeakPolarHBondContact SG-CB 3.49Å; C313-C330 CovalentContact SG-SG 2.04Å; C313-C330 PolarHBondContact SG-SG 2.84Å |
| 314 | R | 94.8 | Very high | 93.9 | Very high | 227 Ų | 227 | 70.5 Ų | 70.5 | 86% | 0.857 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -16.5 | -174.9 | -62 | 179.3 | -173.3 | 157.5 | 2.7 | 113.9 | G311 Y312 | G311-R314 PolarHBondContact O-N 2.66Å; Y312-R314 PolarHBondContact O-N 2.73Å; Y312-R314 VanDerWaalsContact O-N 3.16Å |
| 315 | L | 94.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | trans | -77.5 | 124.8 | -178.2 | -64.9 | 178.3 | 0 | 0 | 0 | 110 | Y312 S317 Y318 K319 | Y312-L315 HydrophobicContact CD1-CD1 3.92Å; Y312-L315 HydrophobicContact CE1-CD1 4.25Å; Y312-L315 PolarHBondContact O-N 2.67Å; L315-S317 VanDerWaalsContact C-N 3.27Å; L315-S317 PolarHBondContact O-N 3.03Å; L315-Y318 HydrophobicContact CB-CD2 3.76Å; L315-Y318 HydrophobicContact CD1-CD2 4.01Å; L315-Y318 HydrophobicContact CD1-CE2 4.29Å; L315-Y318 PolarHBondContact O-N 2.84Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.02Å | ||
| 316 | S | 92.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -54 | -40.7 | -173.6 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | Y318 | S316-Y318 PolarHBondContact O-N 2.88Å |
| 317 | S | 93.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 61.4 Ų | 61.4 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.8 | -24.8 | 178.9 | -47.9 | 0 | 0 | 0 | 0 | 113.9 | L315 | L315-S317 VanDerWaalsContact C-N 3.27Å; L315-S317 PolarHBondContact O-N 3.03Å |
| 318 | Y | 93.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -114.8 | -19.8 | -172.1 | -59.7 | -76.5 | 0 | 0 | 0 | 113.4 | I12 D13 M16 Y312 L315 S316 I320 Y321 M322 | I12-Y318 HydrophobicContact CB-CD1 4.49Å; I12-Y318 HydrophobicContact CB-CE1 4.5Å; I12-Y318 HydrophobicContact CD1-CD1 3.58Å; I12-Y318 HydrophobicContact CD1-CE1 4.39Å; I12-Y318 HydrophobicContact CD1-CG 4.14Å; I12-Y318 HydrophobicContact CG1-CD1 3.87Å; I12-Y318 HydrophobicContact CG1-CE1 4.28Å; I12-Y318 HydrophobicContact CG2-CD1 3.81Å; I12-Y318 HydrophobicContact CG2-CE1 3.5Å; D13-Y318 WeakPolarHBondContact OD1-CE1 3.47Å; D13-Y318 PolarHBondContact OD1-OH 3.03Å; D13-Y318 PolarHBondContact OD2-OH 2.83Å; M16-Y318 HydrophobicContact SD-CD1 3.4Å; M16-Y318 WeakPolarHBondContact SD-CD1 3.44Å; M16-Y318 HydrophobicContact SD-CE1 3.69Å; Y312-Y318 HydrophobicContact CD1-CD1 4.06Å; Y312-Y318 AromaticContact CD1-CD2 3.56Å; Y312-Y318 HydrophobicContact CD1-CD2 3.56Å; Y312-Y318 HydrophobicContact CD1-CE1 4.39Å; Y312-Y318 AromaticContact CD1-CE2 3.9Å; Y312-Y318 HydrophobicContact CD1-CE2 3.9Å; Y312-Y318 AromaticContact CD1-CG 3.64Å; Y312-Y318 HydrophobicContact CD1-CG 3.64Å; Y312-Y318 HydrophobicContact CE1-CD1 4.45Å; Y312-Y318 HydrophobicContact CE1-CD2 4.01Å; Y312-Y318 HydrophobicContact CE1-CE1 4.33Å; Y312-Y318 AromaticContact CE1-CE2 3.84Å; Y312-Y318 HydrophobicContact CE1-CE2 3.84Å; Y312-Y318 HydrophobicContact CE1-CG 4.31Å; L315-Y318 HydrophobicContact CB-CD2 3.76Å; L315-Y318 HydrophobicContact CD1-CD2 4.01Å; L315-Y318 HydrophobicContact CD1-CE2 4.29Å; L315-Y318 PolarHBondContact O-N 2.84Å; S316-Y318 PolarHBondContact O-N 2.88Å; Y318-I320 VanDerWaalsContact C-N 3.3Å; Y318-I320 PolarHBondContact O-N 3.45Å; Y318-Y321 PolarHBondContact O-N 3.34Å; Y318-Y321 VanDerWaalsContact O-N 3.08Å; Y318-M322 WeakPolarHBondContact O-CG 3.41Å; Y318-M322 PolarHBondContact O-N 3.02Å |
| 319 | K | 92.3 | Very high | 93.9 | Very high | 119 Ų | 119 | 63.1 Ų | 63.1 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -52.6 | -42.7 | -172.4 | -177.3 | -179.3 | 178.1 | -175 | 0 | 113.5 | L315 A323 | L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 3.02Å; K319-A323 VanDerWaalsContact O-CB 3.28Å; K319-A323 WeakPolarHBondContact O-CB 3.31Å; K319-A323 PolarHBondContact O-N 2.97Å |
| 320 | I | 91.9 | Very high | 94 | Very high | 147 Ų | 147 | 59.8 Ų | 59.8 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.7 | -47 | -179.9 | -62.4 | 176.1 | 0 | 0 | 0 | 110.6 | Y318 A323 A324 | Y318-I320 VanDerWaalsContact C-N 3.3Å; Y318-I320 PolarHBondContact O-N 3.45Å; I320-A323 PolarHBondContact O-N 3.01Å; I320-A324 PolarHBondContact O-N 3.31Å; I320-A324 VanDerWaalsContact O-N 3.11Å |
| 321 | Y | 92.5 | Very high | 94 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 178.4 | 179.8 | -93.8 | 0 | 0 | 0 | 111.3 | I12 F15 M16 W307 Y318 A323 A324 T325 | I12-Y321 HydrophobicContact CD1-CD1 4.01Å; I12-Y321 HydrophobicContact CD1-CE1 4.38Å; I12-Y321 HydrophobicContact CG1-CD1 4.08Å; I12-Y321 HydrophobicContact CG1-CE1 4.12Å; F15-Y321 WeakPolarHBondContact CB-OH 3.2Å; M16-Y321 HydrophobicContact CG-CD1 4.19Å; M16-Y321 HydrophobicContact CG-CD2 4.01Å; M16-Y321 HydrophobicContact CG-CE2 4.35Å; M16-Y321 HydrophobicContact CG-CG 3.92Å; M16-Y321 HydrophobicContact SD-CG 4.38Å; W307-Y321 HydrophobicContact CE3-CE1 4.47Å; W307-Y321 HydrophobicContact CH2-CE1 4.22Å; W307-Y321 AromaticContact CZ3-CE1 3.75Å; W307-Y321 HydrophobicContact CZ3-CE1 3.75Å; Y318-Y321 PolarHBondContact O-N 3.34Å; Y318-Y321 VanDerWaalsContact O-N 3.08Å; Y321-A323 VanDerWaalsContact C-N 3.34Å; Y321-A323 PolarHBondContact O-N 3.17Å; Y321-A324 PolarHBondContact O-N 3.47Å; Y321-T325 HydrophobicContact CE1-CG2 4.2Å; Y321-T325 VanDerWaalsContact O-CB 3.24Å; Y321-T325 WeakPolarHBondContact O-CB 3.44Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.36Å; Y321-T325 VanDerWaalsContact O-OG1 3.09Å |
| 322 | M | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 177.3 | -71.5 | -61 | -64.5 | 0 | 0 | 112.5 | I12 W307 Y318 C326 C330 | I12-M322 HydrophobicContact CD1-CG 4.03Å; I12-M322 HydrophobicContact CD1-SD 3.59Å; I12-M322 VanDerWaalsContact CD1-SD 3.59Å; W307-M322 HydrophobicContact CB-CE 3.64Å; W307-M322 HydrophobicContact CB-SD 3.89Å; W307-M322 HydrophobicContact CD2-SD 4.37Å; W307-M322 HydrophobicContact CE3-CE 4.5Å; W307-M322 HydrophobicContact CE3-SD 3.8Å; W307-M322 HydrophobicContact CG-SD 4.47Å; Y318-M322 WeakPolarHBondContact O-CG 3.41Å; Y318-M322 PolarHBondContact O-N 3.02Å; M322-C326 HydrophobicContact CE-CB 3.68Å; M322-C326 CarbonylContact O-C 3.52Å; M322-C326 VanDerWaalsContact O-CA 3.23Å; M322-C326 WeakPolarHBondContact O-CA 3.42Å; M322-C326 WeakPolarHBondContact O-CB 3.42Å; M322-C326 PolarHBondContact O-N 3.28Å; M322-C326 HydrophobicContact SD-CB 4.35Å; M322-C330 VanDerWaalsContact CE-SG 3.51Å |
| 323 | A | 92.9 | Very high | 93.3 | Very high | 41 Ų | 41 | 65.3 Ų | 65.3 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | K319 I320 Y321 L332 | K319-A323 VanDerWaalsContact O-CB 3.28Å; K319-A323 WeakPolarHBondContact O-CB 3.31Å; K319-A323 PolarHBondContact O-N 2.97Å; I320-A323 PolarHBondContact O-N 3.01Å; Y321-A323 VanDerWaalsContact C-N 3.34Å; Y321-A323 PolarHBondContact O-N 3.17Å; A323-L332 HydrophobicContact CB-CD1 3.56Å |
| 324 | A | 90.5 | Very high | 93.2 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.3 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F300 I320 Y321 | F300-A324 WeakPolarHBondContact CD2-O 3.32Å; I320-A324 PolarHBondContact O-N 3.31Å; I320-A324 VanDerWaalsContact O-N 3.11Å; Y321-A324 PolarHBondContact O-N 3.47Å |
| 325 | T | 91.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -97.3 | -32 | -170 | -55.6 | 0 | 0 | 0 | 0 | 113 | F300 N301 C304 Y321 P327 | F300-T325 HydrophobicContact CB-CG2 4.46Å; F300-T325 WeakPolarHBondContact CB-O 3.34Å; F300-T325 PolarHBondContact N-O 3.02Å; N301-T325 HydrophobicContact CB-CG2 3.49Å; N301-T325 VanDerWaalsContact CB-CG2 3.49Å; C304-T325 PolarHBondContact SG-O 3.25Å; C304-T325 VanDerWaalsContact SG-O 3.4Å; Y321-T325 HydrophobicContact CE1-CG2 4.2Å; Y321-T325 VanDerWaalsContact O-CB 3.24Å; Y321-T325 WeakPolarHBondContact O-CB 3.44Å; Y321-T325 PolarHBondContact O-N 3.26Å; Y321-T325 PolarHBondContact O-OG1 3.36Å; Y321-T325 VanDerWaalsContact O-OG1 3.09Å; T325-P327 VanDerWaalsContact C-CD 3.42Å |
| 326 | C | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -132.3 | 48.2 | -171.4 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | D299 C304 M322 A328 A329 C330 | D299-C326 WeakPolarHBondContact OD1-CA 3.34Å; C304-C326 WeakPolarHBondContact CA-SG 3.4Å; C304-C326 HydrophobicContact CB-CB 3.48Å; C304-C326 VanDerWaalsContact CB-CB 3.48Å; C304-C326 WeakPolarHBondContact CB-SG 3.43Å; C304-C326 WeakPolarHBondContact SG-CA 3.36Å; C304-C326 WeakPolarHBondContact SG-CB 3.14Å; C304-C326 CovalentContact SG-SG 2.02Å; C304-C326 PolarHBondContact SG-SG 2.72Å; M322-C326 HydrophobicContact CE-CB 3.68Å; M322-C326 CarbonylContact O-C 3.52Å; M322-C326 VanDerWaalsContact O-CA 3.23Å; M322-C326 WeakPolarHBondContact O-CA 3.42Å; M322-C326 WeakPolarHBondContact O-CB 3.42Å; M322-C326 PolarHBondContact O-N 3.28Å; M322-C326 HydrophobicContact SD-CB 4.35Å; C326-A328 VanDerWaalsContact C-N 3.28Å; C326-A328 PolarHBondContact O-N 2.74Å; C326-A329 HydrophobicContact CB-CB 4.44Å; C326-C330 WeakPolarHBondContact O-CB 3.29Å; C326-C330 PolarHBondContact O-N 2.98Å; C326-C330 VanDerWaalsContact O-N 3.08Å; C326-C330 PolarHBondContact O-SG 3.12Å | ||
| 327 | P | 94.8 | Very high | 93 | Very high | 16 Ų | 16 | 54.8 Ų | 54.8 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -35.6 | -173.7 | 27.9 | -36 | 0 | 0 | 0 | 112.2 | V298 T325 C330 G331 L332 | V298-P327 WeakPolarHBondContact O-CD 3.47Å; V298-P327 VanDerWaalsContact O-CG 3.3Å; V298-P327 WeakPolarHBondContact O-CG 3.38Å; T325-P327 VanDerWaalsContact C-CD 3.42Å; P327-C330 PolarHBondContact O-N 3.02Å; P327-G331 PolarHBondContact O-N 2.89Å; P327-L332 HydrophobicContact CB-CB 4.37Å; P327-L332 PolarHBondContact O-N 3.01Å |
| 328 | A | 94.7 | Very high | 93 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -49 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | D299 C326 C330 G331 C333 | D299-A328 WeakPolarHBondContact OD1-CB 3.4Å; D299-A328 PolarHBondContact OD1-N 2.64Å; D299-A328 VanDerWaalsContact OD1-N 3.14Å; C326-A328 VanDerWaalsContact C-N 3.28Å; C326-A328 PolarHBondContact O-N 2.74Å; A328-C330 PolarHBondContact O-N 2.99Å; A328-G331 PolarHBondContact O-N 3.01Å; A328-G331 VanDerWaalsContact O-N 3.1Å; A328-C333 WeakPolarHBondContact CA-SG 3.34Å |
| 329 | A | 95.2 | Very high | 92.9 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 26% | 0.256 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -29.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D299 C304 A308 C326 | D299-A329 PolarHBondContact OD1-N 2.73Å; D299-A329 VanDerWaalsContact OD2-CB 3.3Å; D299-A329 WeakPolarHBondContact OD2-CB 3.5Å; D299-A329 PolarHBondContact OD2-N 2.8Å; C304-A329 HydrophobicContact CB-CB 3.84Å; C304-A329 WeakPolarHBondContact O-CB 3.39Å; A308-A329 HydrophobicContact CB-CB 3.73Å; A308-A329 WeakPolarHBondContact CB-O 3.41Å; C326-A329 HydrophobicContact CB-CB 4.44Å |
| 330 | C | 95.9 | Very high | 93 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2.6 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 115.1 | C313 M322 C326 P327 A328 L332 | C313-C330 HydrophobicContact CB-CB 3.72Å; C313-C330 WeakPolarHBondContact CB-SG 3.25Å; C313-C330 WeakPolarHBondContact SG-CA 3.35Å; C313-C330 WeakPolarHBondContact SG-CB 3.49Å; C313-C330 CovalentContact SG-SG 2.04Å; C313-C330 PolarHBondContact SG-SG 2.84Å; M322-C330 VanDerWaalsContact CE-SG 3.51Å; C326-C330 WeakPolarHBondContact O-CB 3.29Å; C326-C330 PolarHBondContact O-N 2.98Å; C326-C330 VanDerWaalsContact O-N 3.08Å; C326-C330 PolarHBondContact O-SG 3.12Å; P327-C330 PolarHBondContact O-N 3.02Å; A328-C330 PolarHBondContact O-N 2.99Å; C330-L332 VanDerWaalsContact C-N 3.3Å; C330-L332 HydrophobicContact CB-CD1 3.73Å; C330-L332 HydrophobicContact CB-CG 3.84Å |
| 331 | G | 94.3 | Very high | 93.1 | Very high | 55 Ų | 55 | 41.4 Ų | 41.4 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 39.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P327 A328 | P327-G331 PolarHBondContact O-N 2.89Å; A328-G331 PolarHBondContact O-N 3.01Å; A328-G331 VanDerWaalsContact O-N 3.1Å |
| 332 | L | 92 | Very high | 93.1 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | trans | -106.3 | 3.7 | 176.5 | -60.4 | 172.6 | 0 | 0 | 0 | 112.1 | A323 P327 C330 | A323-L332 HydrophobicContact CB-CD1 3.56Å; P327-L332 HydrophobicContact CB-CB 4.37Å; P327-L332 PolarHBondContact O-N 3.01Å; C330-L332 VanDerWaalsContact C-N 3.3Å; C330-L332 HydrophobicContact CB-CD1 3.73Å; C330-L332 HydrophobicContact CB-CG 3.84Å | ||
| 333 | C | 87 | Confident | 93 | Very high | 116 Ų | 116 | 45.5 Ų | 45.5 | 78% | 0.784 | 34% | 0.335 | S | S | * | . | trans | -73.1 | 0 | 146.1 | -34 | 0 | 0 | 0 | 0 | 107.9 | C297 A328 | C297-C333 HydrophobicContact CB-CB 3.52Å; C297-C333 WeakPolarHBondContact CB-SG 3.34Å; C297-C333 WeakPolarHBondContact SG-CA 3.38Å; C297-C333 WeakPolarHBondContact SG-CB 3.32Å; C297-C333 CovalentContact SG-SG 1.99Å; C297-C333 PolarHBondContact SG-SG 2.78Å; A328-C333 WeakPolarHBondContact CA-SG 3.34Å |
Retrieved 333 of 333 residues in 702 ms
(Link to these results)