| 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 | 93.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 21% | 0.212 | 25% | 0.248 | C | C | . | . | 0 | 146.6 | 0 | 54.5 | -167.5 | -175.8 | 0 | 0 | 107.6 | V89 S90 M93 Y109 S110 | M1-V89 HydrophobicContact CB-CG1 4.45Å; M1-V89 HydrophobicContact CE-CB 4.03Å; M1-V89 HydrophobicContact CE-CG1 3.93Å; M1-V89 HydrophobicContact CG-CG1 3.81Å; M1-V89 HydrophobicContact SD-CG1 3.9Å; M1-S90 WeakPolarHBondContact CE-OG 3.23Å; M1-M93 HydrophobicContact CB-CE 4.35Å; M1-M93 HydrophobicContact CB-CG 3.6Å; M1-M93 HydrophobicContact CB-SD 3.94Å; M1-M93 HydrophobicContact CG-CG 4.12Å; M1-M93 HydrophobicContact SD-CB 4.29Å; M1-M93 HydrophobicContact SD-CG 3.66Å; M1-Y109 WeakPolarHBondContact CG-O 3.37Å; M1-Y109 PolarHBondContact N-O 3.44Å; M1-S110 VanDerWaalsContact CE-CB 3.47Å; M1-S110 WeakPolarHBondContact CE-OG 3.22Å | |||
| 2 | P | 94.9 | Very high | 95.5 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 54% | 0.539 | 23% | 0.229 | S | C | . | . | trans | -66.6 | 134.8 | -179.3 | 28.6 | -35 | 0 | 0 | 0 | 110.4 | N4 V89 M93 | P2-N4 WeakPolarHBondContact CB-OD1 3.23Å; P2-V89 WeakPolarHBondContact O-CG1 3.43Å; P2-M93 HydrophobicContact CG-SD 4.28Å | ||
| 3 | T | 95.3 | Very high | 95.7 | Very high | 24 Ų | 24 | 39.9 Ų | 39.9 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | trans | -126.7 | 21.4 | -176 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | N5 R83 V89 S110 D112 | T3-N5 PolarHBondContact O-N 3.29Å; T3-R83 PolarHBondContact O-NH1 3.18Å; T3-R83 PolarHBondContact O-NH2 3.2Å; T3-V89 HydrophobicContact CG2-CB 4.45Å; T3-V89 HydrophobicContact CG2-CG1 4.05Å; T3-V89 HydrophobicContact CG2-CG2 4.11Å; T3-S110 VanDerWaalsContact CG2-CB 3.45Å; T3-D112 WeakPolarHBondContact CB-OD2 3.45Å; T3-D112 HydrophobicContact CG2-CB 3.99Å; T3-D112 VanDerWaalsContact OG1-CG 3.22Å; T3-D112 PolarHBondContact OG1-OD2 3.15Å | ||
| 4 | N | 92.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 37.1 Ų | 37.1 | 75% | 0.754 | 20% | 0.197 | S | C | * | . | trans | -72.5 | 43.9 | -169.6 | 56 | -59.8 | 0 | 0 | 0 | 115.5 | P2 | P2-N4 WeakPolarHBondContact CB-OD1 3.23Š| ||
| 5 | N | 92.6 | Very high | 96 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 21% | 0.214 | 18% | 0.184 | C | C | . | . | trans | -151.4 | 84.4 | -178.1 | 64.4 | -69 | 0 | 0 | 0 | 113.8 | T3 V7 E8 R83 | T3-N5 PolarHBondContact O-N 3.29Å; N5-V7 PolarHBondContact ND2-O 3.49Å; N5-V7 PolarHBondContact O-N 3.21Å; N5-E8 PolarHBondContact ND2-OE2 2.83Å; N5-R83 PolarHBondContact ND2-NH2 2.96Å; N5-R83 PolarHBondContact O-NE 2.94Å; N5-R83 PolarHBondContact O-NH2 3.24Å; N5-R83 PolarHBondContact OD1-NH2 3.1Å | ||
| 6 | Y | 96.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 32.7 Ų | 32.7 | 44% | 0.443 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -58.3 | -34.3 | 176.7 | -63.9 | -26.1 | 0 | 0 | 0 | 113.3 | L82 R83 R113 F115 | Y6-L82 WeakPolarHBondContact O-CA 3.4Å; Y6-R83 WeakPolarHBondContact O-CG 3.05Å; Y6-R83 PolarHBondContact O-N 3.07Å; Y6-R113 HydrophobicContact CE1-CB 4.31Å; Y6-F115 AromaticContact CD1-CE2 3.93Å; Y6-F115 HydrophobicContact CD1-CE2 3.93Å; Y6-F115 HydrophobicContact CD1-CZ 4.2Å; Y6-F115 HydrophobicContact CD2-CE2 4.5Å; Y6-F115 HydrophobicContact CD2-CZ 4.15Å; Y6-F115 AromaticContact CG-CE2 3.84Å; Y6-F115 HydrophobicContact CG-CE2 3.84Å; Y6-F115 AromaticContact CG-CZ 3.94Å; Y6-F115 HydrophobicContact CG-CZ 3.94Å |
| 7 | V | 96.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 36% | 0.364 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.9 | 171 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | N5 L34 N80 L81 L82 | N5-V7 PolarHBondContact ND2-O 3.49Å; N5-V7 PolarHBondContact O-N 3.21Å; V7-L34 HydrophobicContact CB-CD1 4.16Å; V7-L34 HydrophobicContact CG1-CD1 3.42Å; V7-L34 VanDerWaalsContact CG1-CD1 3.42Å; V7-L34 HydrophobicContact CG2-CD1 3.65Å; V7-N80 HydrophobicContact CG1-CB 4.08Å; V7-L81 WeakPolarHBondContact CA-O 3.41Å; V7-L82 HydrophobicContact CG2-CD2 4.41Å |
| 8 | E | 96.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.5 | 175.2 | -165.9 | 57.2 | -83.5 | 0 | 0 | 108.8 | N5 W12 N13 L81 R83 A88 R92 | N5-E8 PolarHBondContact ND2-OE2 2.83Å; E8-W12 VanDerWaalsContact CD-CB 3.49Å; E8-W12 HydrophobicContact CG-CB 3.83Å; E8-W12 WeakPolarHBondContact OE1-CB 3.46Å; E8-N13 HydrophobicContact CB-CB 4.35Å; E8-N13 HydrophobicContact CG-CB 3.87Å; E8-L81 HydrophobicContact CB-CD1 4.2Å; E8-L81 PolarHBondContact N-O 2.86Å; E8-L81 WeakPolarHBondContact O-CG 3.44Å; E8-L81 PolarHBondContact O-N 3.42Å; E8-R83 HydrophobicContact CB-CB 4.27Å; E8-A88 HydrophobicContact CG-CB 4.04Å; E8-R92 IonicContact OE1-CZ 3.87Å; E8-R92 VanDerWaalsContact OE1-CZ 3.31Å; E8-R92 IonicContact OE1-NE 3.33Å; E8-R92 PolarHBondContact OE1-NE 3.27Å; E8-R92 IonicContact OE1-NH2 3.76Å; E8-R92 PolarHBondContact OE1-NH2 2.92Å; E8-R92 IonicContact OE2-CZ 3.41Å; E8-R92 IonicContact OE2-NE 3.85Å; E8-R92 PolarHBondContact OE2-NE 3.32Å; E8-R92 IonicContact OE2-NH2 3.61Å |
| 9 | C | 95.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 151.1 | 169.7 | 67 | 0 | 0 | 0 | 0 | 109.8 | F11 W12 N13 I42 | C9-F11 PolarHBondContact O-N 3.43Å; C9-F11 VanDerWaalsContact O-N 3.1Å; C9-W12 PolarHBondContact O-N 3.44Å; C9-N13 PolarHBondContact O-N 3.5Å; C9-I42 HydrophobicContact CB-CG2 4.06Å |
| 10 | S | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -28.9 | -178.5 | -68 | 0 | 0 | 0 | 0 | 112.5 | F14 D15 E76 A77 K79 L81 | S10-F14 WeakPolarHBondContact O-CA 3.32Å; S10-F14 WeakPolarHBondContact O-CB 3.37Å; S10-F14 PolarHBondContact O-N 3.25Å; S10-D15 PolarHBondContact O-N 2.71Å; S10-E76 WeakPolarHBondContact CB-O 3.42Å; S10-A77 PolarHBondContact N-O 3.2Å; S10-K79 WeakPolarHBondContact CB-O 3.48Å; S10-K79 PolarHBondContact N-O 3.38Å; S10-K79 PolarHBondContact OG-O 3.15Å; S10-L81 WeakPolarHBondContact OG-CD2 3.41Å |
| 11 | F | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.1 | -55.3 | 171.3 | -179.1 | -96.4 | 0 | 0 | 0 | 112.4 | C9 D15 S16 I42 V46 Y50 I51 V54 W72 A77 | C9-F11 PolarHBondContact O-N 3.43Å; C9-F11 VanDerWaalsContact O-N 3.1Å; F11-D15 WeakPolarHBondContact CA-OD2 3.39Å; F11-D15 HydrophobicContact CD2-CB 4.03Å; F11-D15 PolarHBondContact O-N 3.2Å; F11-D15 VanDerWaalsContact O-N 3.12Å; F11-S16 VanDerWaalsContact O-CB 3.29Å; F11-S16 WeakPolarHBondContact O-CB 3.29Å; F11-S16 PolarHBondContact O-N 3.12Å; F11-S16 PolarHBondContact O-OG 2.87Å; F11-I42 HydrophobicContact CB-CD1 4.04Å; F11-I42 HydrophobicContact CB-CG2 4.32Å; F11-I42 HydrophobicContact CD2-CD1 4.09Å; F11-I42 HydrophobicContact CG-CD1 4.12Å; F11-V46 HydrophobicContact CD1-CG1 4.47Å; F11-V46 HydrophobicContact CD1-CG2 4.09Å; F11-V46 HydrophobicContact CE1-CB 4.46Å; F11-V46 HydrophobicContact CE1-CG1 3.7Å; F11-V46 HydrophobicContact CE1-CG2 4.1Å; F11-V46 HydrophobicContact CZ-CG1 4.08Å; F11-Y50 HydrophobicContact CE1-CD1 4.03Å; F11-Y50 AromaticContact CE1-CE1 3.66Å; F11-Y50 HydrophobicContact CE1-CE1 3.66Å; F11-Y50 AromaticContact CZ-CD1 3.85Å; F11-Y50 HydrophobicContact CZ-CD1 3.85Å; F11-Y50 AromaticContact CZ-CE1 3.64Å; F11-Y50 HydrophobicContact CZ-CE1 3.64Å; F11-I51 HydrophobicContact CE2-CG1 4.18Å; F11-I51 HydrophobicContact CZ-CG1 4.22Å; F11-V54 HydrophobicContact CE2-CB 4.01Å; F11-V54 HydrophobicContact CE2-CG1 3.92Å; F11-V54 HydrophobicContact CE2-CG2 4.1Å; F11-V54 HydrophobicContact CZ-CB 4.41Å; F11-V54 HydrophobicContact CZ-CG2 4Å; F11-W72 HydrophobicContact CD2-CZ2 4.13Å; F11-A77 HydrophobicContact CB-CB 4.12Å; F11-A77 HydrophobicContact CD2-CB 4.46Å; F11-A77 PolarHBondContact N-O 3.29Å |
| 12 | W | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.2 | -36.2 | -178.3 | -76.6 | 113.7 | 0 | 0 | 0 | 112.3 | E8 C9 S16 V46 Y50 A91 R92 H95 | E8-W12 VanDerWaalsContact CD-CB 3.49Å; E8-W12 HydrophobicContact CG-CB 3.83Å; E8-W12 WeakPolarHBondContact OE1-CB 3.46Å; C9-W12 PolarHBondContact O-N 3.44Å; W12-S16 WeakPolarHBondContact CA-OG 3.42Å; W12-S16 PolarHBondContact O-OG 2.75Å; W12-V46 HydrophobicContact CZ2-CG1 4.16Å; W12-V46 HydrophobicContact CZ2-CG2 3.69Å; W12-V46 VanDerWaalsContact NE1-CG2 3.27Å; W12-Y50 HydrophobicContact CH2-CD1 4.31Å; W12-Y50 AromaticContact CH2-CE1 3.7Å; W12-Y50 HydrophobicContact CH2-CE1 3.7Å; W12-Y50 HydrophobicContact CZ2-CE1 4.48Å; W12-Y50 AromaticContact CZ3-CE1 3.96Å; W12-Y50 HydrophobicContact CZ3-CE1 3.96Å; W12-A91 HydrophobicContact CE3-CB 4.13Å; W12-A91 HydrophobicContact CZ3-CB 4.32Å; W12-R92 HydrophobicContact CD2-CG 3.6Å; W12-R92 HydrophobicContact CE3-CB 4.45Å; W12-R92 HydrophobicContact CE3-CG 3.55Å; W12-R92 HydrophobicContact CG-CG 4.06Å; W12-R92 HydrophobicContact CH2-CG 4.43Å; W12-R92 HydrophobicContact CZ2-CG 4.47Å; W12-R92 HydrophobicContact CZ3-CB 4.49Å; W12-R92 HydrophobicContact CZ3-CG 3.99Å; W12-H95 HydrophobicContact CH2-CB 3.82Å; W12-H95 AromaticContact CH2-CG 3.74Å; W12-H95 AromaticContact CH2-ND1 3.57Å; W12-H95 HydrophobicContact CZ3-CB 4.06Å |
| 13 | N | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.5 | -31 | -178.7 | -162.1 | 80.7 | 0 | 0 | 0 | 112.9 | E8 C9 L17 L81 T84 H85 A88 | E8-N13 HydrophobicContact CB-CB 4.35Å; E8-N13 HydrophobicContact CG-CB 3.87Å; C9-N13 PolarHBondContact O-N 3.5Å; N13-L17 WeakPolarHBondContact O-CD1 3.28Å; N13-L81 HydrophobicContact CB-CD1 3.83Å; N13-L81 HydrophobicContact CB-CD2 4.17Å; N13-L81 HydrophobicContact CB-CG 4.48Å; N13-T84 PolarHBondContact ND2-OG1 2.87Å; N13-T84 PolarHBondContact OD1-N 3.38Å; N13-H85 PolarHBondContact O-CE1 2.85Å; N13-A88 HydrophobicContact CB-CB 4.43Å |
| 14 | F | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -58.9 | -174.1 | -57.9 | -57.3 | 0 | 0 | 0 | 113.5 | S10 S16 L17 Q19 R26 T31 L81 T84 | S10-F14 WeakPolarHBondContact O-CA 3.32Å; S10-F14 WeakPolarHBondContact O-CB 3.37Å; S10-F14 PolarHBondContact O-N 3.25Å; F14-S16 PolarHBondContact O-N 3.3Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 PolarHBondContact O-N 3.29Å; F14-Q19 HydrophobicContact CB-CB 4.29Å; F14-Q19 WeakPolarHBondContact O-CB 3.45Å; F14-Q19 PolarHBondContact O-N 3.47Å; F14-Q19 VanDerWaalsContact O-N 3.15Å; F14-R26 HydrophobicContact CB-CG 4.46Å; F14-R26 HydrophobicContact CD1-CG 4.18Å; F14-R26 HydrophobicContact CD2-CG 3.69Å; F14-R26 HydrophobicContact CE1-CG 4.26Å; F14-R26 HydrophobicContact CE2-CB 4.36Å; F14-R26 HydrophobicContact CE2-CG 3.76Å; F14-R26 HydrophobicContact CG-CG 3.87Å; F14-R26 HydrophobicContact CZ-CG 4.04Å; F14-T31 HydrophobicContact CZ-CG2 4.41Å; F14-L81 HydrophobicContact CD2-CD2 3.9Å; F14-L81 HydrophobicContact CE2-CD2 3.24Å; F14-L81 HydrophobicContact CZ-CD2 4.02Å; F14-T84 HydrophobicContact CZ-CG2 4.09Å |
| 15 | D | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -64.5 | -40.7 | -168.5 | -59.9 | -65.8 | 0 | 0 | 0 | 112.4 | S10 F11 L17 F18 Q21 R26 V54 H58 W72 A77 | S10-D15 PolarHBondContact O-N 2.71Å; F11-D15 WeakPolarHBondContact CA-OD2 3.39Å; F11-D15 HydrophobicContact CD2-CB 4.03Å; F11-D15 PolarHBondContact O-N 3.2Å; F11-D15 VanDerWaalsContact O-N 3.12Å; D15-L17 PolarHBondContact O-N 3.5Å; D15-F18 PolarHBondContact O-N 2.65Å; D15-Q21 WeakPolarHBondContact OD1-CG 3.24Å; D15-Q21 PolarHBondContact OD1-NE2 3.22Å; D15-R26 IonicContact OD1-CZ 2.76Å; D15-R26 IonicContact OD1-NH1 3.21Å; D15-R26 PolarHBondContact OD1-NH1 3.36Å; D15-R26 IonicContact OD1-NH2 3.46Å; D15-R26 IonicContact OD2-CZ 3.88Å; D15-R26 IonicContact OD2-NH1 2.69Å; D15-R26 PolarHBondContact OD2-NH1 3.1Å; D15-R26 IonicContact OD2-NH2 2.77Å; D15-R26 PolarHBondContact OD2-NH2 3.09Å; D15-V54 HydrophobicContact CB-CG1 4.17Å; D15-H58 PolarHBondContact O-NE2 3.4Å; D15-W72 HydrophobicContact CB-CZ2 4.22Å; D15-W72 PolarHBondContact OD1-NE1 3.18Å; D15-A77 WeakPolarHBondContact OD2-CB 3.11Å |
| 16 | S | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -64.8 | -19.3 | 178 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | F11 W12 F14 F18 Y50 A91 M200 | F11-S16 VanDerWaalsContact O-CB 3.29Å; F11-S16 WeakPolarHBondContact O-CB 3.29Å; F11-S16 PolarHBondContact O-N 3.12Å; F11-S16 PolarHBondContact O-OG 2.87Å; W12-S16 WeakPolarHBondContact CA-OG 3.42Å; W12-S16 PolarHBondContact O-OG 2.75Å; F14-S16 PolarHBondContact O-N 3.3Å; S16-F18 VanDerWaalsContact C-N 3.32Å; S16-Y50 WeakPolarHBondContact CB-OH 3.33Å; S16-A91 WeakPolarHBondContact OG-CB 3.43Å; S16-M200 WeakPolarHBondContact O-CG 3.39Å |
| 17 | L | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -89.6 | 2.2 | 174.9 | -60.5 | -179.5 | 0 | 0 | 0 | 112.1 | N13 F14 D15 Q19 T87 A91 Y170 M200 | N13-L17 WeakPolarHBondContact O-CD1 3.28Å; F14-L17 WeakPolarHBondContact O-CB 3.37Å; F14-L17 PolarHBondContact O-N 3.29Å; D15-L17 PolarHBondContact O-N 3.5Å; L17-Q19 PolarHBondContact O-N 2.7Å; L17-T87 HydrophobicContact CD1-CG2 3.9Å; L17-T87 HydrophobicContact CD2-CG2 3.84Å; L17-A91 HydrophobicContact CD2-CB 3.7Å; L17-Y170 HydrophobicContact CB-CD1 4.22Å; L17-Y170 HydrophobicContact CB-CG 4.34Å; L17-Y170 HydrophobicContact CD1-CD1 4.28Å; L17-Y170 WeakPolarHBondContact O-CA 3.48Å; L17-Y170 WeakPolarHBondContact O-CB 3.22Å; L17-M200 HydrophobicContact CD2-CE 3.42Å; L17-M200 VanDerWaalsContact CD2-CE 3.42Å; L17-M200 HydrophobicContact CD2-SD 3.83Å |
| 18 | F | 97.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 31.9 | -170.4 | -165.3 | -113.3 | 0 | 0 | 0 | 112.7 | D15 S16 V57 H58 Y68 E199 M200 | D15-F18 PolarHBondContact O-N 2.65Å; S16-F18 VanDerWaalsContact C-N 3.32Å; F18-V57 HydrophobicContact CD2-CG1 4.02Å; F18-V57 HydrophobicContact CE2-CG1 3.73Å; F18-H58 AromaticContact CD2-CD2 3.89Å; F18-H58 AromaticContact CD2-NE2 3.84Å; F18-Y68 HydrophobicContact CD1-CE2 4.01Å; F18-Y68 HydrophobicContact CD2-CE2 4.01Å; F18-Y68 AromaticContact CE1-CE2 3.75Å; F18-Y68 HydrophobicContact CE1-CE2 3.75Å; F18-Y68 AromaticContact CE1-CZ 3.79Å; F18-Y68 HydrophobicContact CE2-CD2 4.06Å; F18-Y68 AromaticContact CE2-CE2 3.71Å; F18-Y68 HydrophobicContact CE2-CE2 3.71Å; F18-Y68 HydrophobicContact CG-CE2 4.15Å; F18-Y68 HydrophobicContact CZ-CD2 4.06Å; F18-Y68 AromaticContact CZ-CE2 3.6Å; F18-Y68 HydrophobicContact CZ-CE2 3.6Å; F18-Y68 WeakPolarHBondContact O-CE2 3.29Å; F18-Y68 PolarHBondContact O-OH 2.69Å; F18-E199 HydrophobicContact CB-CB 4.3Å; F18-E199 HydrophobicContact CD1-CB 3.6Å; F18-E199 HydrophobicContact CD1-CG 4.27Å; F18-E199 HydrophobicContact CD2-CB 3.59Å; F18-E199 HydrophobicContact CE1-CB 3.66Å; F18-E199 HydrophobicContact CE1-CG 3.82Å; F18-E199 HydrophobicContact CE2-CB 3.67Å; F18-E199 HydrophobicContact CE2-CG 4.11Å; F18-E199 HydrophobicContact CG-CB 3.55Å; F18-E199 HydrophobicContact CZ-CB 3.69Å; F18-E199 HydrophobicContact CZ-CG 3.73Å; F18-M200 HydrophobicContact CB-CB 4.23Å |
| 19 | Q | 97.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | trans | -89.8 | 126.4 | 169.2 | -174.9 | 173.6 | -49.1 | 0 | 0 | 110.1 | F14 L17 H23 H58 P169 | F14-Q19 HydrophobicContact CB-CB 4.29Å; F14-Q19 WeakPolarHBondContact O-CB 3.45Å; F14-Q19 PolarHBondContact O-N 3.47Å; F14-Q19 VanDerWaalsContact O-N 3.15Å; L17-Q19 PolarHBondContact O-N 2.7Å; Q19-H23 HydrophobicContact CG-CB 3.91Å; Q19-H23 PolarHBondContact NE2-ND1 3.19Å; Q19-H58 PolarHBondContact O-CE1 2.96Å; Q19-P169 HydrophobicContact CB-CB 4.19Å; Q19-P169 HydrophobicContact CG-CB 4.13Å; Q19-P169 HydrophobicContact CG-CG 4.16Å | ||
| 20 | P | 96.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -67.4 | 155.1 | -172.2 | 23.3 | -27.7 | 0 | 0 | 0 | 112.1 | Q22 H23 R26 Y68 | P20-Q22 VanDerWaalsContact C-N 3.28Å; P20-Q22 PolarHBondContact O-N 3.19Å; P20-H23 HydrophobicContact CG-CB 4.06Å; P20-H23 WeakPolarHBondContact O-CB 3.32Å; P20-H23 PolarHBondContact O-N 3.04Å; P20-R26 VanDerWaalsContact O-CD 3.26Å; P20-R26 WeakPolarHBondContact O-CD 3.48Å; P20-Y68 HydrophobicContact CB-CD1 4.01Å; P20-Y68 HydrophobicContact CB-CD2 3.8Å; P20-Y68 HydrophobicContact CB-CE1 4.06Å; P20-Y68 HydrophobicContact CB-CE2 3.84Å; P20-Y68 HydrophobicContact CB-CG 3.9Å; P20-Y68 HydrophobicContact CG-CD1 4.21Å; P20-Y68 HydrophobicContact CG-CE1 3.82Å; P20-Y68 HydrophobicContact CG-CE2 4.13Å | ||
| 21 | Q | 96.7 | Very high | 94.4 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -25.8 | -178.5 | -59.8 | -164.8 | -35.7 | 0 | 0 | 113.4 | D15 H23 L73 | D15-Q21 WeakPolarHBondContact OD1-CG 3.24Å; D15-Q21 PolarHBondContact OD1-NE2 3.22Å; Q21-H23 VanDerWaalsContact C-N 3.29Å; Q21-H23 PolarHBondContact O-N 3.05Å; Q21-L73 PolarHBondContact NE2-O 2.84Å |
| 22 | Q | 93.7 | Very high | 94.3 | Very high | 117 Ų | 117 | 36.7 Ų | 36.7 | 55% | 0.547 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 11.7 | 176.5 | -44.9 | 83.1 | 11.6 | 0 | 0 | 113 | P20 S70 | P20-Q22 VanDerWaalsContact C-N 3.28Å; P20-Q22 PolarHBondContact O-N 3.19Å; Q22-S70 PolarHBondContact NE2-OG 2.84Å |
| 23 | H | 94.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 18% | 0.181 | 21% | 0.212 | C | C | . | . | trans | -69 | 133.8 | -179.3 | -168.3 | -80.7 | 0 | 0 | 0 | 110.5 | Q19 P20 Q21 A25 R26 | Q19-H23 HydrophobicContact CG-CB 3.91Å; Q19-H23 PolarHBondContact NE2-ND1 3.19Å; P20-H23 HydrophobicContact CG-CB 4.06Å; P20-H23 WeakPolarHBondContact O-CB 3.32Å; P20-H23 PolarHBondContact O-N 3.04Å; Q21-H23 VanDerWaalsContact C-N 3.29Å; Q21-H23 PolarHBondContact O-N 3.05Å; H23-A25 VanDerWaalsContact ND1-CB 3.3Å; H23-A25 WeakPolarHBondContact ND1-CB 3.37Å; H23-A25 PolarHBondContact ND1-N 3.01Å; H23-A25 VanDerWaalsContact ND1-N 3.15Å; H23-A25 PolarHBondContact O-N 3.45Å; H23-A25 VanDerWaalsContact O-N 3.12Å; H23-R26 HydrophobicContact CB-CG 4.43Å; H23-R26 WeakPolarHBondContact O-CB 3.26Å; H23-R26 PolarHBondContact O-N 3.21Å | ||
| 24 | P | 93.7 | Very high | 94.2 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -57.3 | -34.7 | -175.3 | 20.9 | -33.7 | 0 | 0 | 0 | 113.4 | R26 D27 | P24-R26 PolarHBondContact O-N 3.06Å; P24-D27 VanDerWaalsContact O-CB 3.22Å; P24-D27 WeakPolarHBondContact O-CB 3.37Å; P24-D27 PolarHBondContact O-N 3.29Å |
| 25 | A | 91.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 26% | 0.256 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -59.6 | -11.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | H23 T31 | H23-A25 VanDerWaalsContact ND1-CB 3.3Å; H23-A25 WeakPolarHBondContact ND1-CB 3.37Å; H23-A25 PolarHBondContact ND1-N 3.01Å; H23-A25 VanDerWaalsContact ND1-N 3.15Å; H23-A25 PolarHBondContact O-N 3.45Å; H23-A25 VanDerWaalsContact O-N 3.12Å; A25-T31 PolarHBondContact O-OG1 3.15Å |
| 26 | R | 93.2 | Very high | 94 | Very high | 14 Ų | 14 | 53.1 Ų | 53.1 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -91.2 | -1.3 | 173.4 | -60 | -175.2 | 68.1 | 151 | -1.1 | 112.8 | F14 D15 P20 H23 P24 F33 E76 | F14-R26 HydrophobicContact CB-CG 4.46Å; F14-R26 HydrophobicContact CD1-CG 4.18Å; F14-R26 HydrophobicContact CD2-CG 3.69Å; F14-R26 HydrophobicContact CE1-CG 4.26Å; F14-R26 HydrophobicContact CE2-CB 4.36Å; F14-R26 HydrophobicContact CE2-CG 3.76Å; F14-R26 HydrophobicContact CG-CG 3.87Å; F14-R26 HydrophobicContact CZ-CG 4.04Å; D15-R26 IonicContact OD1-CZ 2.76Å; D15-R26 IonicContact OD1-NH1 3.21Å; D15-R26 PolarHBondContact OD1-NH1 3.36Å; D15-R26 IonicContact OD1-NH2 3.46Å; D15-R26 IonicContact OD2-CZ 3.88Å; D15-R26 IonicContact OD2-NH1 2.69Å; D15-R26 PolarHBondContact OD2-NH1 3.1Å; D15-R26 IonicContact OD2-NH2 2.77Å; D15-R26 PolarHBondContact OD2-NH2 3.09Å; P20-R26 VanDerWaalsContact O-CD 3.26Å; P20-R26 WeakPolarHBondContact O-CD 3.48Å; H23-R26 HydrophobicContact CB-CG 4.43Å; H23-R26 WeakPolarHBondContact O-CB 3.26Å; H23-R26 PolarHBondContact O-N 3.21Å; P24-R26 PolarHBondContact O-N 3.06Å; R26-F33 WeakPolarHBondContact O-CE2 3.16Å; R26-F33 WeakPolarHBondContact O-CZ 3.47Å; R26-E76 PolarHBondContact NH2-O 2.95Å |
| 27 | D | 90.7 | Very high | 93.8 | Very high | 85 Ų | 85 | 56.1 Ų | 56.1 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -74.1 | 150.5 | 177.2 | -66.3 | -24.7 | 0 | 0 | 0 | 110.5 | P24 H29 D30 T31 | P24-D27 VanDerWaalsContact O-CB 3.22Å; P24-D27 WeakPolarHBondContact O-CB 3.37Å; P24-D27 PolarHBondContact O-N 3.29Å; D27-H29 PolarHBondContact O-N 3.21Å; D27-H29 VanDerWaalsContact O-N 3.07Å; D27-D30 PolarHBondContact O-N 2.98Å; D27-T31 PolarHBondContact O-N 3.33Å |
| 28 | A | 84.6 | Confident | 93.7 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D30 N117 | A28-D30 VanDerWaalsContact C-N 3.34Å; A28-N117 PolarHBondContact O-ND2 3.34Å |
| 29 | H | 83.9 | Confident | 93.6 | Very high | 157 Ų | 157 | 66.6 Ų | 66.6 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24.9 | 173.6 | -69.1 | -63 | 0 | 0 | 0 | 113.4 | D27 | D27-H29 PolarHBondContact O-N 3.21Å; D27-H29 VanDerWaalsContact O-N 3.07Å |
| 30 | D | 89.7 | Confident | 93.3 | Very high | 68 Ų | 68 | 68.5 Ų | 68.5 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -24.7 | -177.5 | -71.5 | -36.1 | 0 | 0 | 0 | 112.7 | D27 A28 N117 | D27-D30 PolarHBondContact O-N 2.98Å; A28-D30 VanDerWaalsContact C-N 3.34Å; D30-N117 PolarHBondContact O-N 3.02Å |
| 31 | T | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 71 Ų | 71 | 3% | 0.025 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -122.2 | 135.1 | -173.7 | -70.3 | 0 | 0 | 0 | 0 | 112.3 | F14 A25 D27 F33 L81 T84 | F14-T31 HydrophobicContact CZ-CG2 4.41Å; A25-T31 PolarHBondContact O-OG1 3.15Å; D27-T31 PolarHBondContact O-N 3.33Å; T31-F33 HydrophobicContact CG2-CD2 4.05Å; T31-F33 HydrophobicContact CG2-CE1 4.45Å; T31-F33 HydrophobicContact CG2-CE2 3.75Å; T31-F33 HydrophobicContact CG2-CZ 3.97Å; T31-F33 PolarHBondContact O-N 3.25Å; T31-L81 HydrophobicContact CG2-CB 3.79Å; T31-L81 HydrophobicContact CG2-CD2 3.84Å; T31-L81 HydrophobicContact CG2-CG 4.3Å; T31-T84 HydrophobicContact CG2-CG2 3.91Å; T31-T84 WeakPolarHBondContact OG1-CG2 3.43Å |
| 32 | F | 96.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 70 Ų | 70 | 25% | 0.254 | 39% | 0.386 | S | S | . | . | trans | -80.5 | 97.7 | 170.4 | -64.3 | -63.5 | 0 | 0 | 0 | 110.8 | L81 L82 F115 R116 N117 A126 | F32-L81 CarbonylContact O-C 3.58Å; F32-L81 VanDerWaalsContact O-CA 3.24Å; F32-L81 WeakPolarHBondContact O-CA 3.43Å; F32-L81 WeakPolarHBondContact O-CB 3.5Å; F32-L82 HydrophobicContact CB-CB 4.16Å; F32-L82 HydrophobicContact CB-CD1 3.95Å; F32-L82 HydrophobicContact CB-CG 4.18Å; F32-L82 HydrophobicContact CD2-CD1 4.35Å; F32-L82 HydrophobicContact CG-CD1 4.38Å; F32-L82 PolarHBondContact O-N 2.8Å; F32-F115 HydrophobicContact CD2-CB 3.95Å; F32-F115 HydrophobicContact CE2-CB 4.45Å; F32-R116 WeakPolarHBondContact CE2-O 3.42Å; F32-N117 HydrophobicContact CD1-CB 3.93Å; F32-N117 HydrophobicContact CD2-CB 4.36Å; F32-N117 HydrophobicContact CE1-CB 3.7Å; F32-N117 VanDerWaalsContact CE1-CG 3.42Å; F32-N117 WeakPolarHBondContact CE1-OD1 3.47Å; F32-N117 HydrophobicContact CE2-CB 4.18Å; F32-N117 HydrophobicContact CG-CB 4.26Å; F32-N117 HydrophobicContact CZ-CB 3.84Å; F32-A126 HydrophobicContact CE2-CB 4.15Å; F32-A126 HydrophobicContact CZ-CB 4.1Å | ||
| 33 | F | 96.5 | Very high | 92.8 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 151.5 | 167.7 | -69.8 | -84.7 | 0 | 0 | 0 | 111.3 | R26 T31 K79 L81 | R26-F33 WeakPolarHBondContact O-CE2 3.16Å; R26-F33 WeakPolarHBondContact O-CZ 3.47Å; T31-F33 HydrophobicContact CG2-CD2 4.05Å; T31-F33 HydrophobicContact CG2-CE1 4.45Å; T31-F33 HydrophobicContact CG2-CE2 3.75Å; T31-F33 HydrophobicContact CG2-CZ 3.97Å; T31-F33 PolarHBondContact O-N 3.25Å; F33-K79 HydrophobicContact CD1-CB 4.11Å; F33-K79 HydrophobicContact CE1-CB 4.1Å; F33-K79 HydrophobicContact CE1-CD 4.35Å; F33-L81 HydrophobicContact CD1-CB 4.08Å; F33-L81 HydrophobicContact CE1-CB 4.36Å; F33-L81 HydrophobicContact CE1-CD2 4.11Å |
| 34 | L | 96.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 74.2 Ų | 74.2 | 17% | 0.173 | 41% | 0.405 | C | S | . | . | trans | -89.2 | 141.8 | 177.3 | -60.6 | -171.6 | 0 | 0 | 0 | 111.2 | V7 E38 N80 L82 | V7-L34 HydrophobicContact CB-CD1 4.16Å; V7-L34 HydrophobicContact CG1-CD1 3.42Å; V7-L34 VanDerWaalsContact CG1-CD1 3.42Å; V7-L34 HydrophobicContact CG2-CD1 3.65Å; L34-E38 WeakPolarHBondContact O-CA 3.48Å; L34-N80 HydrophobicContact CB-CB 4.28Å; L34-N80 HydrophobicContact CD1-CB 3.96Å; L34-N80 HydrophobicContact CG-CB 4.25Å; L34-N80 PolarHBondContact N-O 3.02Å; L34-L82 HydrophobicContact CD2-CD2 4.05Å; L34-L82 HydrophobicContact CD2-CG 4.13Å | ||
| 35 | S | 95.2 | Very high | 92.4 | Very high | 115 Ų | 115 | 75.2 Ų | 75.2 | 80% | 0.804 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -87.5 | -25.1 | 165.2 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | ||
| 36 | D | 94.6 | Very high | 92.5 | Very high | 138 Ų | 138 | 74 Ų | 74 | 74% | 0.738 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.2 | 120.7 | 176 | -176.1 | 25.8 | 0 | 0 | 0 | 110.1 | ||
| 37 | P | 94.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 77.2 Ų | 77.2 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -72.5 | 119.7 | -11.8 | 29.4 | -33 | 0 | 0 | 0 | 111 | N80 | P37-N80 VanDerWaalsContact O-CB 3.3Å; P37-N80 WeakPolarHBondContact O-CB 3.21Å; P37-N80 PolarHBondContact O-ND2 3.41Å |
| 38 | E | 95.4 | Very high | 92.7 | Very high | 120 Ų | 120 | 76.6 Ų | 76.6 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | trans | -63.9 | -43.1 | -177.8 | -176.2 | -179.4 | 178.7 | 0 | 0 | 112.9 | L34 N80 | L34-E38 WeakPolarHBondContact O-CA 3.48Å; E38-N80 PolarHBondContact O-N 3.35Å | ||
| 39 | I | 95.6 | Very high | 93.2 | Very high | 104 Ų | 104 | 76.9 Ų | 76.9 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -123.9 | 155 | -177.7 | 61.2 | 173.1 | 0 | 0 | 0 | 111.3 | E78 N80 | I39-E78 CarbonylContact C-O 3.6Å; I39-E78 WeakPolarHBondContact CA-O 3.38Å; I39-N80 PolarHBondContact O-ND2 3.41Å |
| 40 | S | 92.1 | Very high | 93.9 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | trans | -132.1 | 131.3 | 167.2 | -77.5 | 0 | 0 | 0 | 0 | 110.2 | I42 E78 N80 | S40-I42 WeakPolarHBondContact O-CG2 3.5Å; S40-I42 PolarHBondContact O-N 2.99Å; S40-E78 PolarHBondContact N-O 2.76Å; S40-E78 WeakPolarHBondContact O-CB 3.24Å; S40-E78 WeakPolarHBondContact O-CG 3.29Å; S40-N80 PolarHBondContact OG-ND2 2.77Å; S40-N80 PolarHBondContact OG-OD1 2.77Å | ||
| 41 | D | 92.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 66.6 Ų | 66.6 | 35% | 0.348 | 36% | 0.362 | S | S | . | . | trans | -65.4 | 97.3 | 172.1 | 176.7 | -0.7 | 0 | 0 | 0 | 108.8 | N43 K44 | D41-N43 PolarHBondContact O-N 3.19Å; D41-N43 WeakPolarHBondContact OD1-CB 3.2Å; D41-N43 PolarHBondContact OD1-N 2.92Å; D41-N43 VanDerWaalsContact OD1-N 3.09Å; D41-K44 HydrophobicContact CB-CD 4.06Å; D41-K44 HydrophobicContact CB-CG 4.27Å; D41-K44 WeakPolarHBondContact O-CB 3.42Å; D41-K44 PolarHBondContact O-N 3.18Å; D41-K44 VanDerWaalsContact O-N 3.16Å; D41-K44 WeakPolarHBondContact OD2-CE 3.41Å; D41-K44 WeakPolarHBondContact OD2-CG 3.43Å; D41-K44 IonicContact OD2-NZ 3.01Å | ||
| 42 | I | 93 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.5 | -21.1 | -175.6 | 62.2 | 174.5 | 0 | 0 | 0 | 111.7 | C9 F11 S40 K44 T45 V46 I51 M74 A77 E78 | C9-I42 HydrophobicContact CB-CG2 4.06Å; F11-I42 HydrophobicContact CB-CD1 4.04Å; F11-I42 HydrophobicContact CB-CG2 4.32Å; F11-I42 HydrophobicContact CD2-CD1 4.09Å; F11-I42 HydrophobicContact CG-CD1 4.12Å; S40-I42 WeakPolarHBondContact O-CG2 3.5Å; S40-I42 PolarHBondContact O-N 2.99Å; I42-K44 PolarHBondContact O-N 2.66Å; I42-T45 PolarHBondContact O-N 3.19Å; I42-T45 PolarHBondContact O-OG1 3.13Å; I42-V46 WeakPolarHBondContact O-CB 3.46Å; I42-V46 PolarHBondContact O-N 2.88Å; I42-I51 HydrophobicContact CD1-CD1 3.9Å; I42-I51 HydrophobicContact CD1-CG1 4.26Å; I42-I51 HydrophobicContact CD1-CG2 4.43Å; I42-I51 HydrophobicContact CG1-CD1 3.81Å; I42-M74 HydrophobicContact CD1-CE 3.35Å; I42-M74 HydrophobicContact CD1-SD 3.95Å; I42-M74 HydrophobicContact CG1-CE 3.16Å; I42-M74 HydrophobicContact CG1-SD 4.4Å; I42-A77 HydrophobicContact CD1-CB 4.13Å; I42-E78 HydrophobicContact CD1-CG 4.4Å; I42-E78 HydrophobicContact CG1-CG 4.09Å; I42-E78 HydrophobicContact CG2-CG 4.24Å |
| 43 | N | 91.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 39% | 0.39 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -64.9 | -21 | 175.3 | -65.8 | -72.2 | 0 | 0 | 0 | 112.3 | D41 T45 T48 M74 | D41-N43 PolarHBondContact O-N 3.19Å; D41-N43 WeakPolarHBondContact OD1-CB 3.2Å; D41-N43 PolarHBondContact OD1-N 2.92Å; D41-N43 VanDerWaalsContact OD1-N 3.09Å; N43-T45 VanDerWaalsContact C-N 3.31Å; N43-T48 PolarHBondContact OD1-OG1 2.94Å; N43-M74 WeakPolarHBondContact ND2-CE 3.43Å |
| 44 | K | 91.3 | Very high | 94.5 | Very high | 172 Ų | 172 | 67.8 Ų | 67.8 | 75% | 0.748 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -74.3 | -20.7 | 173 | -68.8 | 176.7 | -179.3 | 163.8 | 0 | 113.4 | D41 I42 | D41-K44 HydrophobicContact CB-CD 4.06Å; D41-K44 HydrophobicContact CB-CG 4.27Å; D41-K44 WeakPolarHBondContact O-CB 3.42Å; D41-K44 PolarHBondContact O-N 3.18Å; D41-K44 VanDerWaalsContact O-N 3.16Å; D41-K44 WeakPolarHBondContact OD2-CE 3.41Å; D41-K44 WeakPolarHBondContact OD2-CG 3.43Å; D41-K44 IonicContact OD2-NZ 3.01Å; I42-K44 PolarHBondContact O-N 2.66Å |
| 45 | T | 87.7 | Confident | 94.5 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -15.4 | -171 | 64 | 0 | 0 | 0 | 0 | 114.1 | I42 N43 | I42-T45 PolarHBondContact O-N 3.19Å; I42-T45 PolarHBondContact O-OG1 3.13Å; N43-T45 VanDerWaalsContact C-N 3.31Å |
| 46 | V | 93.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -130.7 | 135.3 | -177.2 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | F11 W12 I42 T48 Y50 I51 | F11-V46 HydrophobicContact CD1-CG1 4.47Å; F11-V46 HydrophobicContact CD1-CG2 4.09Å; F11-V46 HydrophobicContact CE1-CB 4.46Å; F11-V46 HydrophobicContact CE1-CG1 3.7Å; F11-V46 HydrophobicContact CE1-CG2 4.1Å; F11-V46 HydrophobicContact CZ-CG1 4.08Å; W12-V46 HydrophobicContact CZ2-CG1 4.16Å; W12-V46 HydrophobicContact CZ2-CG2 3.69Å; W12-V46 VanDerWaalsContact NE1-CG2 3.27Å; I42-V46 WeakPolarHBondContact O-CB 3.46Å; I42-V46 PolarHBondContact O-N 2.88Å; V46-T48 PolarHBondContact O-N 2.89Å; V46-Y50 HydrophobicContact CG1-CD1 3.56Å; V46-Y50 HydrophobicContact CG1-CE1 4.35Å; V46-Y50 HydrophobicContact CG1-CG 4.42Å; V46-I51 HydrophobicContact CB-CD1 4.06Å; V46-I51 HydrophobicContact CB-CG1 4.11Å; V46-I51 HydrophobicContact CG1-CD1 4.32Å; V46-I51 HydrophobicContact CG1-CG1 3.83Å |
| 47 | E | 94.2 | Very high | 94.8 | Very high | 83 Ų | 83 | 62 Ų | 62 | 39% | 0.388 | 32% | 0.323 | S | S | . | . | trans | -60.2 | 129.6 | 175.8 | -68.2 | 119.1 | 146.9 | 0 | 0 | 110.7 | C49 Y50 I51 H95 K99 | E47-C49 PolarHBondContact O-N 3.22Å; E47-C49 VanDerWaalsContact O-N 3.1Å; E47-Y50 WeakPolarHBondContact O-CA 3.22Å; E47-Y50 WeakPolarHBondContact O-CB 3.05Å; E47-Y50 PolarHBondContact O-N 2.83Å; E47-I51 PolarHBondContact O-N 2.69Å; E47-H95 IonicContact OE2-CE1 3.61Å; E47-H95 PolarHBondContact OE2-CE1 2.93Å; E47-H95 IonicContact OE2-NE2 3.04Å; E47-H95 PolarHBondContact OE2-NE2 3.22Å; E47-K99 WeakPolarHBondContact OE1-CE 3.42Å; E47-K99 IonicContact OE1-NZ 2.69Å; E47-K99 PolarHBondContact OE1-NZ 2.97Å; E47-K99 WeakPolarHBondContact OE2-CE 3.34Å; E47-K99 IonicContact OE2-NZ 3.25Å; E47-K99 PolarHBondContact OE2-NZ 2.86Å | ||
| 48 | T | 94.7 | Very high | 95 | Very high | 72 Ų | 72 | 59 Ų | 59 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.4 | -34.8 | 178 | -51.5 | 0 | 0 | 0 | 0 | 112 | N43 V46 Y50 I51 D52 | N43-T48 PolarHBondContact OD1-OG1 2.94Å; V46-T48 PolarHBondContact O-N 2.89Å; T48-Y50 VanDerWaalsContact C-N 3.27Å; T48-Y50 PolarHBondContact O-N 3.25Å; T48-I51 PolarHBondContact O-N 3.02Å; T48-D52 WeakPolarHBondContact O-CB 3.44Å; T48-D52 PolarHBondContact O-N 3.45Å |
| 49 | C | 95.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 50% | 0.5 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -30.6 | 176.4 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | E47 K53 | E47-C49 PolarHBondContact O-N 3.22Å; E47-C49 VanDerWaalsContact O-N 3.1Å; C49-K53 WeakPolarHBondContact O-CD 3.35Å; C49-K53 WeakPolarHBondContact O-CG 3.22Å; C49-K53 PolarHBondContact O-N 2.82Å |
| 50 | Y | 97.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76.9 | -43.6 | 174.8 | 177.9 | -138.2 | 0 | 0 | 0 | 110.6 | F11 W12 S16 V46 E47 T48 D52 K53 V54 H95 P203 M204 | F11-Y50 HydrophobicContact CE1-CD1 4.03Å; F11-Y50 AromaticContact CE1-CE1 3.66Å; F11-Y50 HydrophobicContact CE1-CE1 3.66Å; F11-Y50 AromaticContact CZ-CD1 3.85Å; F11-Y50 HydrophobicContact CZ-CD1 3.85Å; F11-Y50 AromaticContact CZ-CE1 3.64Å; F11-Y50 HydrophobicContact CZ-CE1 3.64Å; W12-Y50 HydrophobicContact CH2-CD1 4.31Å; W12-Y50 AromaticContact CH2-CE1 3.7Å; W12-Y50 HydrophobicContact CH2-CE1 3.7Å; W12-Y50 HydrophobicContact CZ2-CE1 4.48Å; W12-Y50 AromaticContact CZ3-CE1 3.96Å; W12-Y50 HydrophobicContact CZ3-CE1 3.96Å; S16-Y50 WeakPolarHBondContact CB-OH 3.33Å; V46-Y50 HydrophobicContact CG1-CD1 3.56Å; V46-Y50 HydrophobicContact CG1-CE1 4.35Å; V46-Y50 HydrophobicContact CG1-CG 4.42Å; E47-Y50 WeakPolarHBondContact O-CA 3.22Å; E47-Y50 WeakPolarHBondContact O-CB 3.05Å; E47-Y50 PolarHBondContact O-N 2.83Å; T48-Y50 VanDerWaalsContact C-N 3.27Å; T48-Y50 PolarHBondContact O-N 3.25Å; Y50-D52 VanDerWaalsContact C-N 3.33Å; Y50-D52 PolarHBondContact O-N 3.09Å; Y50-K53 PolarHBondContact O-N 2.8Å; Y50-V54 HydrophobicContact CD2-CG2 3.88Å; Y50-V54 HydrophobicContact CE2-CG2 3.45Å; Y50-V54 VanDerWaalsContact CE2-CG2 3.45Å; Y50-V54 WeakPolarHBondContact O-CG2 3.34Å; Y50-V54 PolarHBondContact O-N 2.86Å; Y50-H95 AromaticContact CD1-CD2 3.6Å; Y50-H95 AromaticContact CD1-CE1 3.93Å; Y50-H95 AromaticContact CD1-NE2 3.36Å; Y50-H95 WeakPolarHBondContact CD1-NE2 3.21Å; Y50-H95 AromaticContact CE1-CD2 3.72Å; Y50-H95 AromaticContact CE1-NE2 3.97Å; Y50-H95 AromaticContact CG-CD2 3.95Å; Y50-H95 AromaticContact CG-NE2 3.63Å; Y50-P203 HydrophobicContact CD2-CB 4.27Å; Y50-P203 WeakPolarHBondContact CD2-O 3.3Å; Y50-P203 HydrophobicContact CE2-CB 3.95Å; Y50-M204 HydrophobicContact CE2-CB 4.22Å; Y50-M204 HydrophobicContact CE2-CG 3.64Å; Y50-M204 WeakPolarHBondContact OH-CE 3.39Å; Y50-M204 WeakPolarHBondContact OH-CG 3.47Å |
| 51 | I | 97.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -48.1 | 174.9 | -61 | 167.6 | 0 | 0 | 0 | 110.5 | F11 I42 V46 E47 T48 K53 V54 R55 W72 M74 | F11-I51 HydrophobicContact CE2-CG1 4.18Å; F11-I51 HydrophobicContact CZ-CG1 4.22Å; I42-I51 HydrophobicContact CD1-CD1 3.9Å; I42-I51 HydrophobicContact CD1-CG1 4.26Å; I42-I51 HydrophobicContact CD1-CG2 4.43Å; I42-I51 HydrophobicContact CG1-CD1 3.81Å; V46-I51 HydrophobicContact CB-CD1 4.06Å; V46-I51 HydrophobicContact CB-CG1 4.11Å; V46-I51 HydrophobicContact CG1-CD1 4.32Å; V46-I51 HydrophobicContact CG1-CG1 3.83Å; E47-I51 PolarHBondContact O-N 2.69Å; T48-I51 PolarHBondContact O-N 3.02Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.59Å; I51-V54 PolarHBondContact O-N 2.8Å; I51-R55 WeakPolarHBondContact O-CB 3.12Å; I51-R55 PolarHBondContact O-N 2.94Å; I51-W72 HydrophobicContact CG2-CH2 4Å; I51-W72 HydrophobicContact CG2-CZ3 4.31Å; I51-M74 HydrophobicContact CG2-SD 4.13Å |
| 52 | D | 97 | Very high | 95.4 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 179.5 | -76.1 | -33.3 | 0 | 0 | 0 | 112.5 | T48 Y50 R55 T56 | T48-D52 WeakPolarHBondContact O-CB 3.44Å; T48-D52 PolarHBondContact O-N 3.45Å; Y50-D52 VanDerWaalsContact C-N 3.33Å; Y50-D52 PolarHBondContact O-N 3.09Å; D52-R55 IonicContact OD1-CZ 3.5Å; D52-R55 VanDerWaalsContact OD1-CZ 3.25Å; D52-R55 IonicContact OD1-NH1 3.31Å; D52-R55 IonicContact OD1-NH2 3.68Å; D52-R55 PolarHBondContact OD1-NH2 3.02Å; D52-T56 WeakPolarHBondContact O-CB 3.21Å; D52-T56 PolarHBondContact O-N 3.28Å; D52-T56 PolarHBondContact O-OG1 3.22Å |
| 53 | K | 97.5 | Very high | 95.5 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 175.1 | -74 | 171.4 | -175.9 | 177.4 | 0 | 111 | C49 Y50 I51 T56 V57 P203 | C49-K53 WeakPolarHBondContact O-CD 3.35Å; C49-K53 WeakPolarHBondContact O-CG 3.22Å; C49-K53 PolarHBondContact O-N 2.82Å; Y50-K53 PolarHBondContact O-N 2.8Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.59Å; K53-T56 PolarHBondContact O-N 2.92Å; K53-V57 WeakPolarHBondContact O-CB 3.39Å; K53-V57 WeakPolarHBondContact O-CG2 3.46Å; K53-V57 PolarHBondContact O-N 3.3Å; K53-P203 HydrophobicContact CB-CB 3.94Å; K53-P203 VanDerWaalsContact CD-O 3.29Å; K53-P203 WeakPolarHBondContact CD-O 3.45Å |
| 54 | V | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 109.9 | F11 D15 Y50 I51 T56 V57 H58 P203 | F11-V54 HydrophobicContact CE2-CB 4.01Å; F11-V54 HydrophobicContact CE2-CG1 3.92Å; F11-V54 HydrophobicContact CE2-CG2 4.1Å; F11-V54 HydrophobicContact CZ-CB 4.41Å; F11-V54 HydrophobicContact CZ-CG2 4Å; D15-V54 HydrophobicContact CB-CG1 4.17Å; Y50-V54 HydrophobicContact CD2-CG2 3.88Å; Y50-V54 HydrophobicContact CE2-CG2 3.45Å; Y50-V54 VanDerWaalsContact CE2-CG2 3.45Å; Y50-V54 WeakPolarHBondContact O-CG2 3.34Å; Y50-V54 PolarHBondContact O-N 2.86Å; I51-V54 PolarHBondContact O-N 2.8Å; V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 PolarHBondContact O-N 3Å; V54-V57 PolarHBondContact O-N 3.38Å; V54-H58 WeakPolarHBondContact O-CB 3.43Å; V54-H58 PolarHBondContact O-CD2 2.85Å; V54-H58 PolarHBondContact O-N 3.42Å; V54-P203 HydrophobicContact CG2-CB 4.22Å |
| 55 | R | 97.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 52.3 Ų | 52.3 | 42% | 0.419 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -51.5 | -46.7 | 175.2 | -179.2 | -176.7 | 67.3 | -163.8 | -10.5 | 112.1 | I51 D52 S59 W72 | I51-R55 WeakPolarHBondContact O-CB 3.12Å; I51-R55 PolarHBondContact O-N 2.94Å; D52-R55 IonicContact OD1-CZ 3.5Å; D52-R55 VanDerWaalsContact OD1-CZ 3.25Å; D52-R55 IonicContact OD1-NH1 3.31Å; D52-R55 IonicContact OD1-NH2 3.68Å; D52-R55 PolarHBondContact OD1-NH2 3.02Å; R55-S59 WeakPolarHBondContact O-CB 3.38Å; R55-S59 PolarHBondContact O-N 3.06Å; R55-S59 PolarHBondContact O-OG 2.85Å; R55-W72 HydrophobicContact CB-CD2 4.04Å; R55-W72 HydrophobicContact CB-CE3 3.77Å; R55-W72 HydrophobicContact CB-CG 4.43Å; R55-W72 HydrophobicContact CB-CZ3 4.29Å; R55-W72 HydrophobicContact CG-CB 4.05Å; R55-W72 HydrophobicContact CG-CD2 4.07Å; R55-W72 HydrophobicContact CG-CE3 3.63Å; R55-W72 HydrophobicContact CG-CG 4.27Å; R55-W72 HydrophobicContact CG-CZ3 4.43Å |
| 56 | T | 97.6 | Very high | 96.2 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | D52 K53 V54 H58 S59 Q60 G61 | D52-T56 WeakPolarHBondContact O-CB 3.21Å; D52-T56 PolarHBondContact O-N 3.28Å; D52-T56 PolarHBondContact O-OG1 3.22Å; K53-T56 PolarHBondContact O-N 2.92Å; V54-T56 VanDerWaalsContact C-N 3.28Å; V54-T56 PolarHBondContact O-N 3Å; T56-H58 PolarHBondContact O-N 3.21Å; T56-S59 PolarHBondContact O-N 2.92Å; T56-Q60 PolarHBondContact O-N 3.14Å; T56-G61 PolarHBondContact O-N 3.2Å; T56-G61 VanDerWaalsContact O-N 3.12Å |
| 57 | V | 97.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -178.9 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | F18 K53 V54 G61 A62 F63 G67 E199 P203 | F18-V57 HydrophobicContact CD2-CG1 4.02Å; F18-V57 HydrophobicContact CE2-CG1 3.73Å; K53-V57 WeakPolarHBondContact O-CB 3.39Å; K53-V57 WeakPolarHBondContact O-CG2 3.46Å; K53-V57 PolarHBondContact O-N 3.3Å; V54-V57 PolarHBondContact O-N 3.38Å; V57-G61 WeakPolarHBondContact O-CA 3.31Å; V57-G61 PolarHBondContact O-N 3.34Å; V57-A62 HydrophobicContact CG2-CB 3.64Å; V57-F63 HydrophobicContact CG2-CD2 3.91Å; V57-F63 HydrophobicContact CG2-CE2 3.6Å; V57-G67 VanDerWaalsContact O-CA 3.23Å; V57-G67 WeakPolarHBondContact O-CA 3.35Å; V57-E199 HydrophobicContact CG1-CB 3.73Å; V57-E199 HydrophobicContact CG1-CG 4.1Å; V57-P203 HydrophobicContact CB-CG 4.31Å; V57-P203 HydrophobicContact CG1-CG 4.43Å; V57-P203 HydrophobicContact CG2-CG 3.7Å |
| 58 | H | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -48.3 | 175.3 | -85.7 | -103 | 0 | 0 | 0 | 112.4 | D15 F18 Q19 V54 T56 Y68 W72 | D15-H58 PolarHBondContact O-NE2 3.4Å; F18-H58 AromaticContact CD2-CD2 3.89Å; F18-H58 AromaticContact CD2-NE2 3.84Å; Q19-H58 PolarHBondContact O-CE1 2.96Å; V54-H58 WeakPolarHBondContact O-CB 3.43Å; V54-H58 PolarHBondContact O-CD2 2.85Å; V54-H58 PolarHBondContact O-N 3.42Å; T56-H58 PolarHBondContact O-N 3.21Å; H58-Y68 AromaticContact ND1-CD2 3.78Å; H58-Y68 AromaticContact ND1-CE2 3.99Å; H58-Y68 WeakPolarHBondContact O-CB 3.39Å; H58-Y68 PolarHBondContact O-N 3.3Å; H58-W72 HydrophobicContact CB-CB 4.43Å; H58-W72 HydrophobicContact CB-CG 4.34Å; H58-W72 AromaticContact CG-CD1 3.86Å |
| 59 | S | 97.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -83.4 | -50.3 | -171.4 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | R55 T56 Q69 S70 | R55-S59 WeakPolarHBondContact O-CB 3.38Å; R55-S59 PolarHBondContact O-N 3.06Å; R55-S59 PolarHBondContact O-OG 2.85Å; T56-S59 PolarHBondContact O-N 2.92Å; S59-Q69 WeakPolarHBondContact O-CA 3.43Å; S59-Q69 PolarHBondContact O-N 2.84Å; S59-S70 VanDerWaalsContact CA-O 3.26Å; S59-S70 WeakPolarHBondContact CA-O 3.25Å; S59-S70 VanDerWaalsContact CB-O 3.24Å; S59-S70 WeakPolarHBondContact CB-O 3.36Å |
| 60 | Q | 96.7 | Very high | 96.4 | Very high | 142 Ų | 142 | 57.6 Ų | 57.6 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -21.1 | -171.3 | -61.4 | 173.7 | 19.7 | 0 | 0 | 112.8 | T56 Q69 | T56-Q60 PolarHBondContact O-N 3.14Å; Q60-Q69 PolarHBondContact O-NE2 2.93Å |
| 61 | G | 96.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 62 Ų | 62 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | trans | 86.7 | 152.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T56 V57 S65 | T56-G61 PolarHBondContact O-N 3.2Å; T56-G61 VanDerWaalsContact O-N 3.12Å; V57-G61 WeakPolarHBondContact O-CA 3.31Å; V57-G61 PolarHBondContact O-N 3.34Å; G61-S65 CarbonylContact C-O 3.54Å; G61-S65 WeakPolarHBondContact CA-O 3.38Å | ||
| 62 | A | 95.4 | Very high | 96.4 | Very high | 30 Ų | 30 | 62.9 Ų | 62.9 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | trans | -160.6 | 174.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | V57 G64 S65 | V57-A62 HydrophobicContact CG2-CB 3.64Å; A62-G64 PolarHBondContact O-N 2.85Å; A62-S65 PolarHBondContact N-O 3.49Å; A62-S65 VanDerWaalsContact O-CB 3.32Å; A62-S65 WeakPolarHBondContact O-CB 3.06Å; A62-S65 PolarHBondContact O-N 2.95Å | ||
| 63 | F | 93.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 34.5 | 174.7 | -47.8 | -67.1 | 0 | 0 | 0 | 114.2 | V57 S65 R202 P203 | V57-F63 HydrophobicContact CG2-CD2 3.91Å; V57-F63 HydrophobicContact CG2-CE2 3.6Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.42Å; F63-R202 HydrophobicContact CB-CB 4.34Å; F63-R202 HydrophobicContact CB-CG 4.31Å; F63-R202 HydrophobicContact CD1-CB 3.67Å; F63-R202 HydrophobicContact CD1-CG 4.14Å; F63-R202 HydrophobicContact CD2-CB 3.64Å; F63-R202 HydrophobicContact CD2-CG 4.49Å; F63-R202 HydrophobicContact CE1-CB 3.78Å; F63-R202 HydrophobicContact CE2-CB 3.76Å; F63-R202 HydrophobicContact CG-CB 3.6Å; F63-R202 HydrophobicContact CG-CG 4.06Å; F63-R202 HydrophobicContact CZ-CB 3.82Å; F63-P203 HydrophobicContact CD2-CG 4.43Å; F63-P203 HydrophobicContact CE2-CG 3.83Å |
| 64 | G | 93.4 | Very high | 96.3 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 94% | 0.938 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -4.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A62 | A62-G64 PolarHBondContact O-N 2.85Š|
| 65 | S | 95.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 69.2 Ų | 69.2 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | trans | -91.7 | 150.8 | 175.2 | -166.7 | 0 | 0 | 0 | 0 | 112.2 | G61 A62 F63 G67 E199 | G61-S65 CarbonylContact C-O 3.54Å; G61-S65 WeakPolarHBondContact CA-O 3.38Å; A62-S65 PolarHBondContact N-O 3.49Å; A62-S65 VanDerWaalsContact O-CB 3.32Å; A62-S65 WeakPolarHBondContact O-CB 3.06Å; A62-S65 PolarHBondContact O-N 2.95Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.42Å; S65-G67 VanDerWaalsContact C-N 3.29Å; S65-G67 PolarHBondContact OG-N 2.92Å; S65-E199 WeakPolarHBondContact CB-OE1 3.33Å; S65-E199 WeakPolarHBondContact OG-CG 3.26Å; S65-E199 PolarHBondContact OG-OE1 3.47Å | ||
| 66 | R | 96.5 | Very high | 96.1 | Very high | 204 Ų | 204 | 66.5 Ų | 66.5 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | trans | -83.5 | -3.5 | 170.9 | -60.8 | -179.9 | 73.1 | -179 | 2.3 | 112.4 | Q69 | R66-Q69 PolarHBondContact O-NE2 3.25Š| ||
| 67 | G | 96.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 64 Ų | 64 | 19% | 0.186 | 34% | 0.344 | C | S | . | . | trans | 62.5 | -162.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 S65 | V57-G67 VanDerWaalsContact O-CA 3.23Å; V57-G67 WeakPolarHBondContact O-CA 3.35Å; S65-G67 VanDerWaalsContact C-N 3.29Å; S65-G67 PolarHBondContact OG-N 2.92Å | ||
| 68 | Y | 96.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 65.6 Ų | 65.6 | 26% | 0.263 | 35% | 0.351 | S | S | . | . | trans | -93.5 | -8.4 | 177.6 | -69.1 | -66.8 | 0 | 0 | 0 | 113.9 | F18 P20 H58 S70 | F18-Y68 HydrophobicContact CD1-CE2 4.01Å; F18-Y68 HydrophobicContact CD2-CE2 4.01Å; F18-Y68 AromaticContact CE1-CE2 3.75Å; F18-Y68 HydrophobicContact CE1-CE2 3.75Å; F18-Y68 AromaticContact CE1-CZ 3.79Å; F18-Y68 HydrophobicContact CE2-CD2 4.06Å; F18-Y68 AromaticContact CE2-CE2 3.71Å; F18-Y68 HydrophobicContact CE2-CE2 3.71Å; F18-Y68 HydrophobicContact CG-CE2 4.15Å; F18-Y68 HydrophobicContact CZ-CD2 4.06Å; F18-Y68 AromaticContact CZ-CE2 3.6Å; F18-Y68 HydrophobicContact CZ-CE2 3.6Å; F18-Y68 WeakPolarHBondContact O-CE2 3.29Å; F18-Y68 PolarHBondContact O-OH 2.69Å; P20-Y68 HydrophobicContact CB-CD1 4.01Å; P20-Y68 HydrophobicContact CB-CD2 3.8Å; P20-Y68 HydrophobicContact CB-CE1 4.06Å; P20-Y68 HydrophobicContact CB-CE2 3.84Å; P20-Y68 HydrophobicContact CB-CG 3.9Å; P20-Y68 HydrophobicContact CG-CD1 4.21Å; P20-Y68 HydrophobicContact CG-CE1 3.82Å; P20-Y68 HydrophobicContact CG-CE2 4.13Å; H58-Y68 AromaticContact ND1-CD2 3.78Å; H58-Y68 AromaticContact ND1-CE2 3.99Å; H58-Y68 WeakPolarHBondContact O-CB 3.39Å; H58-Y68 PolarHBondContact O-N 3.3Å; Y68-S70 PolarHBondContact O-N 2.97Å | ||
| 69 | Q | 95.4 | Very high | 96 | Very high | 129 Ų | 129 | 68.2 Ų | 68.2 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | trans | 56 | 33.7 | 179.8 | -59.9 | -69 | -52 | 0 | 0 | 112.5 | S59 Q60 R66 | S59-Q69 WeakPolarHBondContact O-CA 3.43Å; S59-Q69 PolarHBondContact O-N 2.84Å; Q60-Q69 PolarHBondContact O-NE2 2.93Å; R66-Q69 PolarHBondContact O-NE2 3.25Å | ||
| 70 | S | 94 | Very high | 96 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 16% | 0.161 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -126.8 | 149.4 | 178 | 67.7 | 0 | 0 | 0 | 0 | 110.8 | Q22 S59 Y68 W72 | Q22-S70 PolarHBondContact NE2-OG 2.84Å; S59-S70 VanDerWaalsContact CA-O 3.26Å; S59-S70 WeakPolarHBondContact CA-O 3.25Å; S59-S70 VanDerWaalsContact CB-O 3.24Å; S59-S70 WeakPolarHBondContact CB-O 3.36Å; Y68-S70 PolarHBondContact O-N 2.97Å; S70-W72 PolarHBondContact O-N 3.38Å |
| 71 | P | 95.7 | Very high | 96.1 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | trans | -54.7 | 137.5 | 169.8 | -22.3 | 33.1 | 0 | 0 | 0 | 110.8 | ||||
| 72 | W | 97.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | trans | -106.2 | 119.6 | 171.8 | -176.4 | 96.2 | 0 | 0 | 0 | 107.9 | F11 D15 I51 R55 H58 S70 M74 A77 | F11-W72 HydrophobicContact CD2-CZ2 4.13Å; D15-W72 HydrophobicContact CB-CZ2 4.22Å; D15-W72 PolarHBondContact OD1-NE1 3.18Å; I51-W72 HydrophobicContact CG2-CH2 4Å; I51-W72 HydrophobicContact CG2-CZ3 4.31Å; R55-W72 HydrophobicContact CB-CD2 4.04Å; R55-W72 HydrophobicContact CB-CE3 3.77Å; R55-W72 HydrophobicContact CB-CG 4.43Å; R55-W72 HydrophobicContact CB-CZ3 4.29Å; R55-W72 HydrophobicContact CG-CB 4.05Å; R55-W72 HydrophobicContact CG-CD2 4.07Å; R55-W72 HydrophobicContact CG-CE3 3.63Å; R55-W72 HydrophobicContact CG-CG 4.27Å; R55-W72 HydrophobicContact CG-CZ3 4.43Å; H58-W72 HydrophobicContact CB-CB 4.43Å; H58-W72 HydrophobicContact CB-CG 4.34Å; H58-W72 AromaticContact CG-CD1 3.86Å; S70-W72 PolarHBondContact O-N 3.38Å; W72-M74 HydrophobicContact CH2-SD 3.91Å; W72-M74 HydrophobicContact CZ3-CB 4.2Å; W72-M74 HydrophobicContact CZ3-SD 3.8Å; W72-A77 HydrophobicContact CH2-CB 3.48Å; W72-A77 VanDerWaalsContact CH2-CB 3.48Å; W72-A77 HydrophobicContact CZ2-CB 3.35Å | ||
| 73 | L | 96.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | trans | -99.3 | 128.2 | -173.8 | -58 | 179 | 0 | 0 | 0 | 110 | Q21 E75 E76 | Q21-L73 PolarHBondContact NE2-O 2.84Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-E76 HydrophobicContact CB-CB 4.33Å; L73-E76 HydrophobicContact CB-CG 4.03Å; L73-E76 HydrophobicContact CD1-CG 4.25Å; L73-E76 PolarHBondContact O-N 3.46Å | ||
| 74 | M | 95.8 | Very high | 96.4 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 27% | 0.271 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.7 | -172.7 | 71.1 | -172.5 | 0 | 0 | 111.6 | I42 N43 I51 W72 E76 A77 E78 | I42-M74 HydrophobicContact CD1-CE 3.35Å; I42-M74 HydrophobicContact CD1-SD 3.95Å; I42-M74 HydrophobicContact CG1-CE 3.16Å; I42-M74 HydrophobicContact CG1-SD 4.4Å; N43-M74 WeakPolarHBondContact ND2-CE 3.43Å; I51-M74 HydrophobicContact CG2-SD 4.13Å; W72-M74 HydrophobicContact CH2-SD 3.91Å; W72-M74 HydrophobicContact CZ3-CB 4.2Å; W72-M74 HydrophobicContact CZ3-SD 3.8Å; M74-E76 PolarHBondContact O-N 3.38Å; M74-A77 WeakPolarHBondContact O-CA 3.3Å; M74-A77 WeakPolarHBondContact O-CB 3.33Å; M74-A77 PolarHBondContact O-N 2.93Å; M74-E78 HydrophobicContact CE-CG 3.98Å; M74-E78 VanDerWaalsContact CE-OE1 3.22Å; M74-E78 WeakPolarHBondContact CE-OE1 3.46Å; M74-E78 HydrophobicContact CG-CG 4.4Å; M74-E78 WeakPolarHBondContact O-CG 3.21Å; M74-E78 PolarHBondContact O-N 2.97Å; M74-E78 VanDerWaalsContact O-N 3.11Å |
| 75 | E | 95.7 | Very high | 96.6 | Very high | 144 Ų | 144 | 52 Ų | 52 | 67% | 0.673 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57 | -37.5 | -179 | -62.6 | 170.5 | -168.7 | 0 | 0 | 112 | L73 A77 E78 K79 | L73-E75 VanDerWaalsContact C-N 3.34Å; E75-A77 VanDerWaalsContact C-N 3.32Å; E75-A77 PolarHBondContact O-N 2.84Å; E75-E78 PolarHBondContact O-N 3.1Å; E75-K79 PolarHBondContact O-N 3.17Å |
| 76 | E | 96.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70.6 | -26.9 | 176.8 | -69.6 | -57.2 | 142.1 | 0 | 0 | 113.4 | S10 R26 L73 M74 K79 | S10-E76 WeakPolarHBondContact CB-O 3.42Å; R26-E76 PolarHBondContact NH2-O 2.95Å; L73-E76 HydrophobicContact CB-CB 4.33Å; L73-E76 HydrophobicContact CB-CG 4.03Å; L73-E76 HydrophobicContact CD1-CG 4.25Å; L73-E76 PolarHBondContact O-N 3.46Å; M74-E76 PolarHBondContact O-N 3.38Å; E76-K79 IonicContact OE1-NZ 2.65Å; E76-K79 PolarHBondContact OE1-NZ 3.44Å; E76-K79 WeakPolarHBondContact OE2-CE 3.26Å; E76-K79 IonicContact OE2-NZ 3.06Å; E76-K79 PolarHBondContact OE2-NZ 3.05Å |
| 77 | A | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82.6 | -25.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S10 F11 D15 I42 W72 M74 E75 | S10-A77 PolarHBondContact N-O 3.2Å; F11-A77 HydrophobicContact CB-CB 4.12Å; F11-A77 HydrophobicContact CD2-CB 4.46Å; F11-A77 PolarHBondContact N-O 3.29Å; D15-A77 WeakPolarHBondContact OD2-CB 3.11Å; I42-A77 HydrophobicContact CD1-CB 4.13Å; W72-A77 HydrophobicContact CH2-CB 3.48Å; W72-A77 VanDerWaalsContact CH2-CB 3.48Å; W72-A77 HydrophobicContact CZ2-CB 3.35Å; M74-A77 WeakPolarHBondContact O-CA 3.3Å; M74-A77 WeakPolarHBondContact O-CB 3.33Å; M74-A77 PolarHBondContact O-N 2.93Å; E75-A77 VanDerWaalsContact C-N 3.32Å; E75-A77 PolarHBondContact O-N 2.84Å |
| 78 | E | 97.1 | Very high | 96.8 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.9 | -19.4 | -180 | -69.8 | -176.3 | 150.3 | 0 | 0 | 113.7 | I39 S40 I42 M74 E75 N80 | I39-E78 CarbonylContact C-O 3.6Å; I39-E78 WeakPolarHBondContact CA-O 3.38Å; S40-E78 PolarHBondContact N-O 2.76Å; S40-E78 WeakPolarHBondContact O-CB 3.24Å; S40-E78 WeakPolarHBondContact O-CG 3.29Å; I42-E78 HydrophobicContact CD1-CG 4.4Å; I42-E78 HydrophobicContact CG1-CG 4.09Å; I42-E78 HydrophobicContact CG2-CG 4.24Å; M74-E78 HydrophobicContact CE-CG 3.98Å; M74-E78 VanDerWaalsContact CE-OE1 3.22Å; M74-E78 WeakPolarHBondContact CE-OE1 3.46Å; M74-E78 HydrophobicContact CG-CG 4.4Å; M74-E78 WeakPolarHBondContact O-CG 3.21Å; M74-E78 PolarHBondContact O-N 2.97Å; M74-E78 VanDerWaalsContact O-N 3.11Å; E75-E78 PolarHBondContact O-N 3.1Å; E78-N80 PolarHBondContact O-N 3.37Å |
| 79 | K | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | B | Isolated β-bridge | trans | -58.1 | 128.6 | 176 | -71 | 177.6 | -173.2 | 170.4 | 0 | 111.5 | S10 F33 E75 E76 | S10-K79 WeakPolarHBondContact CB-O 3.48Å; S10-K79 PolarHBondContact N-O 3.38Å; S10-K79 PolarHBondContact OG-O 3.15Å; F33-K79 HydrophobicContact CD1-CB 4.11Å; F33-K79 HydrophobicContact CE1-CB 4.1Å; F33-K79 HydrophobicContact CE1-CD 4.35Å; E75-K79 PolarHBondContact O-N 3.17Å; E76-K79 IonicContact OE1-NZ 2.65Å; E76-K79 PolarHBondContact OE1-NZ 3.44Å; E76-K79 WeakPolarHBondContact OE2-CE 3.26Å; E76-K79 IonicContact OE2-NZ 3.06Å; E76-K79 PolarHBondContact OE2-NZ 3.05Å |
| 80 | N | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 146.3 | 175.1 | -73 | -31.1 | 0 | 0 | 0 | 112 | V7 L34 P37 E38 I39 S40 E78 | V7-N80 HydrophobicContact CG1-CB 4.08Å; L34-N80 HydrophobicContact CB-CB 4.28Å; L34-N80 HydrophobicContact CD1-CB 3.96Å; L34-N80 HydrophobicContact CG-CB 4.25Å; L34-N80 PolarHBondContact N-O 3.02Å; P37-N80 VanDerWaalsContact O-CB 3.3Å; P37-N80 WeakPolarHBondContact O-CB 3.21Å; P37-N80 PolarHBondContact O-ND2 3.41Å; E38-N80 PolarHBondContact O-N 3.35Å; I39-N80 PolarHBondContact O-ND2 3.41Å; S40-N80 PolarHBondContact OG-ND2 2.77Å; S40-N80 PolarHBondContact OG-OD1 2.77Å; E78-N80 PolarHBondContact O-N 3.37Å |
| 81 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 164.8 | -179.6 | 55 | 82.3 | 0 | 0 | 0 | 110.7 | V7 E8 S10 N13 F14 T31 F32 F33 | V7-L81 WeakPolarHBondContact CA-O 3.41Å; E8-L81 HydrophobicContact CB-CD1 4.2Å; E8-L81 PolarHBondContact N-O 2.86Å; E8-L81 WeakPolarHBondContact O-CG 3.44Å; E8-L81 PolarHBondContact O-N 3.42Å; S10-L81 WeakPolarHBondContact OG-CD2 3.41Å; N13-L81 HydrophobicContact CB-CD1 3.83Å; N13-L81 HydrophobicContact CB-CD2 4.17Å; N13-L81 HydrophobicContact CB-CG 4.48Å; F14-L81 HydrophobicContact CD2-CD2 3.9Å; F14-L81 HydrophobicContact CE2-CD2 3.24Å; F14-L81 HydrophobicContact CZ-CD2 4.02Å; T31-L81 HydrophobicContact CG2-CB 3.79Å; T31-L81 HydrophobicContact CG2-CD2 3.84Å; T31-L81 HydrophobicContact CG2-CG 4.3Å; F32-L81 CarbonylContact O-C 3.58Å; F32-L81 VanDerWaalsContact O-CA 3.24Å; F32-L81 WeakPolarHBondContact O-CA 3.43Å; F32-L81 WeakPolarHBondContact O-CB 3.5Å; F33-L81 HydrophobicContact CD1-CB 4.08Å; F33-L81 HydrophobicContact CE1-CB 4.36Å; F33-L81 HydrophobicContact CE1-CD2 4.11Å |
| 82 | L | 97.7 | Very high | 97.2 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.209 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.6 | 161.7 | -61.4 | 179.7 | 0 | 0 | 0 | 108.7 | Y6 V7 F32 L34 T84 F115 | Y6-L82 WeakPolarHBondContact O-CA 3.4Å; V7-L82 HydrophobicContact CG2-CD2 4.41Å; F32-L82 HydrophobicContact CB-CB 4.16Å; F32-L82 HydrophobicContact CB-CD1 3.95Å; F32-L82 HydrophobicContact CB-CG 4.18Å; F32-L82 HydrophobicContact CD2-CD1 4.35Å; F32-L82 HydrophobicContact CG-CD1 4.38Å; F32-L82 PolarHBondContact O-N 2.8Å; L34-L82 HydrophobicContact CD2-CD2 4.05Å; L34-L82 HydrophobicContact CD2-CG 4.13Å; L82-T84 PolarHBondContact O-N 3.3Å; L82-F115 HydrophobicContact CB-CB 3.65Å; L82-F115 HydrophobicContact CB-CD2 3.72Å; L82-F115 HydrophobicContact CB-CG 3.75Å; L82-F115 HydrophobicContact CD1-CB 4.16Å; L82-F115 HydrophobicContact CD1-CD1 4.01Å; L82-F115 HydrophobicContact CD1-CD2 4.49Å; L82-F115 HydrophobicContact CD1-CG 3.97Å; L82-F115 HydrophobicContact CG-CG 4.42Å |
| 83 | R | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -46.8 | 128 | -175.9 | 57.6 | 168.7 | 62.1 | 169.8 | -6.3 | 112.5 | T3 N5 Y6 E8 D112 R113 F115 | T3-R83 PolarHBondContact O-NH1 3.18Å; T3-R83 PolarHBondContact O-NH2 3.2Å; N5-R83 PolarHBondContact ND2-NH2 2.96Å; N5-R83 PolarHBondContact O-NE 2.94Å; N5-R83 PolarHBondContact O-NH2 3.24Å; N5-R83 PolarHBondContact OD1-NH2 3.1Å; Y6-R83 WeakPolarHBondContact O-CG 3.05Å; Y6-R83 PolarHBondContact O-N 3.07Å; E8-R83 HydrophobicContact CB-CB 4.27Å; R83-D112 IonicContact CZ-OD2 2.75Å; R83-D112 IonicContact NH1-OD2 2.66Å; R83-D112 PolarHBondContact NH1-OD2 2.76Å; R83-R113 VanDerWaalsContact CD-O 3.28Å; R83-R113 WeakPolarHBondContact CD-O 3.41Å; R83-F115 HydrophobicContact CG-CD2 4.05Å; R83-F115 HydrophobicContact CG-CE2 4.29Å; R83-F115 PolarHBondContact O-N 3.49Å | ||
| 84 | T | 96.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -88.9 | -19.6 | -177.2 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | N13 F14 T31 L82 F115 R116 | N13-T84 PolarHBondContact ND2-OG1 2.87Å; N13-T84 PolarHBondContact OD1-N 3.38Å; F14-T84 HydrophobicContact CZ-CG2 4.09Å; T31-T84 HydrophobicContact CG2-CG2 3.91Å; T31-T84 WeakPolarHBondContact OG1-CG2 3.43Å; L82-T84 PolarHBondContact O-N 3.3Å; T84-F115 WeakPolarHBondContact CA-O 3.02Å; T84-R116 PolarHBondContact O-NE 3.48Å |
| 85 | H | 96.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 7% | 0.069 | 11% | 0.109 | C | C | . | . | trans | -161.8 | 152.9 | 179.9 | 41.1 | 63.3 | 0 | 0 | 0 | 111.4 | N13 T87 A88 | N13-H85 PolarHBondContact O-CE1 2.85Å; H85-T87 PolarHBondContact O-N 2.9Å; H85-T87 VanDerWaalsContact O-N 3.16Å; H85-A88 PolarHBondContact O-N 3.18Å | ||
| 86 | T | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.9 | 178.6 | 45.9 | 0 | 0 | 0 | 0 | 113.7 | A88 V89 S90 D112 V114 Q130 E132 | T86-A88 PolarHBondContact O-N 3.44Å; T86-V89 WeakPolarHBondContact O-CA 3.47Å; T86-V89 VanDerWaalsContact O-CB 3.26Å; T86-V89 WeakPolarHBondContact O-CB 3.29Å; T86-V89 PolarHBondContact O-N 2.81Å; T86-S90 PolarHBondContact O-N 2.92Å; T86-D112 HydrophobicContact CG2-CB 4.07Å; T86-V114 HydrophobicContact CG2-CG1 3.89Å; T86-Q130 HydrophobicContact CG2-CB 4.19Å; T86-Q130 WeakPolarHBondContact OG1-CG 3.36Å; T86-Q130 PolarHBondContact OG1-NE2 3.09Å; T86-E132 WeakPolarHBondContact OG1-CB 3.5Å; T86-E132 PolarHBondContact OG1-OE2 3.33Å |
| 87 | T | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.9 | -26.2 | 175.9 | -38.2 | 0 | 0 | 0 | 0 | 113 | L17 H85 V89 S90 A91 E132 Y170 F196 | L17-T87 HydrophobicContact CD1-CG2 3.9Å; L17-T87 HydrophobicContact CD2-CG2 3.84Å; H85-T87 PolarHBondContact O-N 2.9Å; H85-T87 VanDerWaalsContact O-N 3.16Å; T87-V89 VanDerWaalsContact C-N 3.27Å; T87-V89 PolarHBondContact O-N 2.83Å; T87-S90 WeakPolarHBondContact O-CA 3.33Å; T87-S90 VanDerWaalsContact O-CB 3.29Å; T87-S90 WeakPolarHBondContact O-CB 3.31Å; T87-S90 PolarHBondContact O-N 3.46Å; T87-S90 VanDerWaalsContact O-N 3.13Å; T87-A91 PolarHBondContact O-N 3.29Å; T87-E132 VanDerWaalsContact CA-OE1 3.31Å; T87-E132 WeakPolarHBondContact CA-OE1 3.41Å; T87-E132 WeakPolarHBondContact CA-OE2 3.37Å; T87-E132 WeakPolarHBondContact CB-OE2 3.33Å; T87-E132 PolarHBondContact N-OE2 2.84Å; T87-E132 VanDerWaalsContact N-OE2 3.12Å; T87-E132 PolarHBondContact OG1-OE2 2.93Å; T87-Y170 HydrophobicContact CG2-CD2 4.29Å; T87-Y170 HydrophobicContact CG2-CE2 4.1Å; T87-F196 HydrophobicContact CG2-CE1 3.93Å; T87-F196 HydrophobicContact CG2-CZ 3.98Å |
| 88 | A | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E8 N13 H85 T86 A91 R92 | E8-A88 HydrophobicContact CG-CB 4.04Å; N13-A88 HydrophobicContact CB-CB 4.43Å; H85-A88 PolarHBondContact O-N 3.18Å; T86-A88 PolarHBondContact O-N 3.44Å; A88-A91 WeakPolarHBondContact O-CB 3.26Å; A88-A91 PolarHBondContact O-N 2.85Å; A88-R92 WeakPolarHBondContact O-CG 3.29Å; A88-R92 PolarHBondContact O-N 3.39Å; A88-R92 VanDerWaalsContact O-N 3.09Å |
| 89 | V | 97.5 | Very high | 97 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | M1 P2 T3 T86 T87 A91 R92 M93 | M1-V89 HydrophobicContact CB-CG1 4.45Å; M1-V89 HydrophobicContact CE-CB 4.03Å; M1-V89 HydrophobicContact CE-CG1 3.93Å; M1-V89 HydrophobicContact CG-CG1 3.81Å; M1-V89 HydrophobicContact SD-CG1 3.9Å; P2-V89 WeakPolarHBondContact O-CG1 3.43Å; T3-V89 HydrophobicContact CG2-CB 4.45Å; T3-V89 HydrophobicContact CG2-CG1 4.05Å; T3-V89 HydrophobicContact CG2-CG2 4.11Å; T86-V89 WeakPolarHBondContact O-CA 3.47Å; T86-V89 VanDerWaalsContact O-CB 3.26Å; T86-V89 WeakPolarHBondContact O-CB 3.29Å; T86-V89 PolarHBondContact O-N 2.81Å; T87-V89 VanDerWaalsContact C-N 3.27Å; T87-V89 PolarHBondContact O-N 2.83Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.88Å; V89-R92 PolarHBondContact O-N 2.89Å; V89-M93 HydrophobicContact CG1-CG 4.34Å; V89-M93 VanDerWaalsContact O-CG 3.31Å; V89-M93 WeakPolarHBondContact O-CG 3.36Å; V89-M93 PolarHBondContact O-N 3.36Å |
| 90 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 173.2 | -67.2 | 0 | 0 | 0 | 0 | 112.2 | M1 T86 T87 M93 L94 E132 L134 | M1-S90 WeakPolarHBondContact CE-OG 3.23Å; T86-S90 PolarHBondContact O-N 2.92Å; T87-S90 WeakPolarHBondContact O-CA 3.33Å; T87-S90 VanDerWaalsContact O-CB 3.29Å; T87-S90 WeakPolarHBondContact O-CB 3.31Å; T87-S90 PolarHBondContact O-N 3.46Å; T87-S90 VanDerWaalsContact O-N 3.13Å; S90-M93 PolarHBondContact O-N 2.89Å; S90-L94 WeakPolarHBondContact O-CB 3.44Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.26Å; S90-L94 PolarHBondContact O-N 3.49Å; S90-E132 VanDerWaalsContact CB-OE1 3.3Å; S90-E132 WeakPolarHBondContact CB-OE1 3.48Å; S90-E132 PolarHBondContact OG-OE1 2.98Å; S90-L134 VanDerWaalsContact CB-CD2 3.48Å; S90-L134 WeakPolarHBondContact OG-CD2 3.36Å |
| 91 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W12 S16 L17 T87 A88 V89 M93 L94 H95 M200 M204 | W12-A91 HydrophobicContact CE3-CB 4.13Å; W12-A91 HydrophobicContact CZ3-CB 4.32Å; S16-A91 WeakPolarHBondContact OG-CB 3.43Å; L17-A91 HydrophobicContact CD2-CB 3.7Å; T87-A91 PolarHBondContact O-N 3.29Å; A88-A91 WeakPolarHBondContact O-CB 3.26Å; A88-A91 PolarHBondContact O-N 2.85Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 2.88Å; A91-M93 VanDerWaalsContact C-N 3.3Å; A91-M93 PolarHBondContact O-N 3.32Å; A91-L94 PolarHBondContact O-N 3.21Å; A91-H95 WeakPolarHBondContact O-CB 3.37Å; A91-H95 PolarHBondContact O-N 2.87Å; A91-M200 HydrophobicContact CB-CE 4.37Å; A91-M204 HydrophobicContact CB-CE 4.1Å |
| 92 | R | 97 | Very high | 96.3 | Very high | 80 Ų | 80 | 36.1 Ų | 36.1 | 30% | 0.302 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 175.7 | -71.5 | 176.8 | 167.9 | -79.7 | 8.6 | 111.8 | E8 W12 A88 V89 A96 | E8-R92 IonicContact OE1-CZ 3.87Å; E8-R92 VanDerWaalsContact OE1-CZ 3.31Å; E8-R92 IonicContact OE1-NE 3.33Å; E8-R92 PolarHBondContact OE1-NE 3.27Å; E8-R92 IonicContact OE1-NH2 3.76Å; E8-R92 PolarHBondContact OE1-NH2 2.92Å; E8-R92 IonicContact OE2-CZ 3.41Å; E8-R92 IonicContact OE2-NE 3.85Å; E8-R92 PolarHBondContact OE2-NE 3.32Å; E8-R92 IonicContact OE2-NH2 3.61Å; W12-R92 HydrophobicContact CD2-CG 3.6Å; W12-R92 HydrophobicContact CE3-CB 4.45Å; W12-R92 HydrophobicContact CE3-CG 3.55Å; W12-R92 HydrophobicContact CG-CG 4.06Å; W12-R92 HydrophobicContact CH2-CG 4.43Å; W12-R92 HydrophobicContact CZ2-CG 4.47Å; W12-R92 HydrophobicContact CZ3-CB 4.49Å; W12-R92 HydrophobicContact CZ3-CG 3.99Å; A88-R92 WeakPolarHBondContact O-CG 3.29Å; A88-R92 PolarHBondContact O-N 3.39Å; A88-R92 VanDerWaalsContact O-N 3.09Å; V89-R92 PolarHBondContact O-N 2.89Å; R92-A96 WeakPolarHBondContact O-CB 3.35Å; R92-A96 PolarHBondContact O-N 3.24Å |
| 93 | M | 97.1 | Very high | 96 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 18% | 0.177 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -40 | 179.3 | -69.5 | -53.5 | -54.3 | 0 | 0 | 113 | M1 P2 V89 S90 A91 A96 L97 Y108 | M1-M93 HydrophobicContact CB-CE 4.35Å; M1-M93 HydrophobicContact CB-CG 3.6Å; M1-M93 HydrophobicContact CB-SD 3.94Å; M1-M93 HydrophobicContact CG-CG 4.12Å; M1-M93 HydrophobicContact SD-CB 4.29Å; M1-M93 HydrophobicContact SD-CG 3.66Å; P2-M93 HydrophobicContact CG-SD 4.28Å; V89-M93 HydrophobicContact CG1-CG 4.34Å; V89-M93 VanDerWaalsContact O-CG 3.31Å; V89-M93 WeakPolarHBondContact O-CG 3.36Å; V89-M93 PolarHBondContact O-N 3.36Å; S90-M93 PolarHBondContact O-N 2.89Å; A91-M93 VanDerWaalsContact C-N 3.3Å; A91-M93 PolarHBondContact O-N 3.32Å; M93-A96 PolarHBondContact O-N 2.82Å; M93-L97 VanDerWaalsContact O-CB 3.31Å; M93-L97 WeakPolarHBondContact O-CB 3.34Å; M93-L97 PolarHBondContact O-N 3.5Å; M93-Y108 HydrophobicContact CB-CD2 4.24Å; M93-Y108 HydrophobicContact CB-CE2 4.3Å; M93-Y108 HydrophobicContact CE-CD1 4.44Å; M93-Y108 HydrophobicContact CE-CE1 3.97Å; M93-Y108 HydrophobicContact CE-CE2 4.48Å |
| 94 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -39.3 | 176.1 | -73.4 | 171.2 | 0 | 0 | 0 | 111.6 | S90 A91 L97 S98 L134 A136 F196 M200 L201 M204 L206 V212 | S90-L94 WeakPolarHBondContact O-CB 3.44Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.26Å; S90-L94 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 3.21Å; L94-L97 HydrophobicContact CD2-CD2 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.98Å; L94-S98 PolarHBondContact O-N 2.69Å; L94-L134 HydrophobicContact CD1-CD2 4.47Å; L94-L134 HydrophobicContact CD2-CD1 4.3Å; L94-L134 HydrophobicContact CG-CD2 4.48Å; L94-A136 HydrophobicContact CD2-CB 4.16Å; L94-F196 HydrophobicContact CD1-CD2 3.79Å; L94-F196 HydrophobicContact CD1-CE2 3.79Å; L94-M200 HydrophobicContact CD1-CE 3.98Å; L94-L201 HydrophobicContact CD1-CD2 3.91Å; L94-M204 HydrophobicContact CB-SD 3.82Å; L94-L206 HydrophobicContact CB-CD1 4.4Å; L94-V212 HydrophobicContact CD1-CG1 4.27Å; L94-V212 HydrophobicContact CD2-CG1 4.25Å; L94-V212 HydrophobicContact CD2-CG2 3.99Å |
| 95 | H | 96.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | 172.4 | -178.6 | -109.7 | 0 | 0 | 0 | 112.4 | W12 E47 Y50 A91 L97 S98 K99 M204 | W12-H95 HydrophobicContact CH2-CB 3.82Å; W12-H95 AromaticContact CH2-CG 3.74Å; W12-H95 AromaticContact CH2-ND1 3.57Å; W12-H95 HydrophobicContact CZ3-CB 4.06Å; E47-H95 IonicContact OE2-CE1 3.61Å; E47-H95 PolarHBondContact OE2-CE1 2.93Å; E47-H95 IonicContact OE2-NE2 3.04Å; E47-H95 PolarHBondContact OE2-NE2 3.22Å; Y50-H95 AromaticContact CD1-CD2 3.6Å; Y50-H95 AromaticContact CD1-CE1 3.93Å; Y50-H95 AromaticContact CD1-NE2 3.36Å; Y50-H95 WeakPolarHBondContact CD1-NE2 3.21Å; Y50-H95 AromaticContact CE1-CD2 3.72Å; Y50-H95 AromaticContact CE1-NE2 3.97Å; Y50-H95 AromaticContact CG-CD2 3.95Å; Y50-H95 AromaticContact CG-NE2 3.63Å; A91-H95 WeakPolarHBondContact O-CB 3.37Å; A91-H95 PolarHBondContact O-N 2.87Å; H95-L97 VanDerWaalsContact C-N 3.3Å; H95-L97 PolarHBondContact O-N 2.65Å; H95-S98 PolarHBondContact O-N 3.06Å; H95-S98 PolarHBondContact O-OG 3.47Å; H95-K99 VanDerWaalsContact CE1-CE 3.45Å; H95-K99 WeakPolarHBondContact CE1-CE 3.4Å; H95-M204 HydrophobicContact CB-CG 4.38Å; H95-M204 HydrophobicContact CB-SD 4.37Å |
| 96 | A | 95.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 41% | 0.405 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67 | -33.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | R92 M93 K99 | R92-A96 WeakPolarHBondContact O-CB 3.35Å; R92-A96 PolarHBondContact O-N 3.24Å; M93-A96 PolarHBondContact O-N 2.82Å; A96-K99 PolarHBondContact O-N 2.95Å |
| 97 | L | 96.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 177.4 | -177.3 | 66 | 0 | 0 | 0 | 112.2 | M93 L94 H95 K99 K100 F103 A106 Y108 A136 | M93-L97 VanDerWaalsContact O-CB 3.31Å; M93-L97 WeakPolarHBondContact O-CB 3.34Å; M93-L97 PolarHBondContact O-N 3.5Å; L94-L97 HydrophobicContact CD2-CD2 4.39Å; L94-L97 WeakPolarHBondContact O-CB 3.49Å; L94-L97 PolarHBondContact O-N 2.98Å; H95-L97 VanDerWaalsContact C-N 3.3Å; H95-L97 PolarHBondContact O-N 2.65Å; L97-K99 PolarHBondContact O-N 3.38Å; L97-K99 VanDerWaalsContact O-N 3.17Å; L97-K100 HydrophobicContact CD1-CD 4.05Å; L97-K100 WeakPolarHBondContact O-CB 3.3Å; L97-K100 PolarHBondContact O-N 3.19Å; L97-K100 VanDerWaalsContact O-N 3.1Å; L97-F103 HydrophobicContact CD1-CE2 4.38Å; L97-F103 HydrophobicContact CD2-CE2 3.75Å; L97-F103 HydrophobicContact CD2-CZ 4Å; L97-F103 HydrophobicContact CG-CD2 4.35Å; L97-F103 HydrophobicContact CG-CE2 3.69Å; L97-F103 HydrophobicContact CG-CZ 4.38Å; L97-A106 HydrophobicContact CD1-CB 4.2Å; L97-A106 HydrophobicContact CD2-CB 3.88Å; L97-Y108 HydrophobicContact CD2-CE2 4.39Å; L97-A136 HydrophobicContact CD2-CB 4.18Å |
| 98 | S | 95.4 | Very high | 96 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -22.4 | 179.1 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | L94 H95 K100 M204 | L94-S98 PolarHBondContact O-N 2.69Å; H95-S98 PolarHBondContact O-N 3.06Å; H95-S98 PolarHBondContact O-OG 3.47Å; S98-K100 VanDerWaalsContact C-N 3.33Å; S98-M204 WeakPolarHBondContact CB-O 3.28Å; S98-M204 PolarHBondContact OG-O 2.87Å |
| 99 | K | 94.2 | Very high | 96 | Very high | 111 Ų | 111 | 60.1 Ų | 60.1 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -9.4 | 178.8 | -56.6 | -178 | -172.6 | -163.5 | 0 | 113.7 | E47 H95 A96 L97 | E47-K99 WeakPolarHBondContact OE1-CE 3.42Å; E47-K99 IonicContact OE1-NZ 2.69Å; E47-K99 PolarHBondContact OE1-NZ 2.97Å; E47-K99 WeakPolarHBondContact OE2-CE 3.34Å; E47-K99 IonicContact OE2-NZ 3.25Å; E47-K99 PolarHBondContact OE2-NZ 2.86Å; H95-K99 VanDerWaalsContact CE1-CE 3.45Å; H95-K99 WeakPolarHBondContact CE1-CE 3.4Å; A96-K99 PolarHBondContact O-N 2.95Å; L97-K99 PolarHBondContact O-N 3.38Å; L97-K99 VanDerWaalsContact O-N 3.17Å |
| 100 | K | 94.1 | Very high | 96 | Very high | 112 Ų | 112 | 60.2 Ų | 60.2 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | trans | -78.5 | 128.7 | 179.8 | -64.3 | -166.5 | -176.5 | 179.1 | 0 | 110.8 | L97 S98 P102 F103 | L97-K100 HydrophobicContact CD1-CD 4.05Å; L97-K100 WeakPolarHBondContact O-CB 3.3Å; L97-K100 PolarHBondContact O-N 3.19Å; L97-K100 VanDerWaalsContact O-N 3.1Å; S98-K100 VanDerWaalsContact C-N 3.33Å; K100-P102 CarbonylContact O-C 3.45Å; K100-F103 PolarHBondContact O-N 3.03Å | ||
| 101 | N | 90.9 | Very high | 96 | Very high | 160 Ų | 160 | 64.5 Ų | 64.5 | 86% | 0.856 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -129.6 | 116.8 | 173.7 | -169.5 | 9.7 | 0 | 0 | 0 | 109.8 | ||
| 102 | P | 92.1 | Very high | 96 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 66% | 0.656 | 33% | 0.331 | S | S | * | . | S | Bend | cis | -67.6 | 152.4 | -1.1 | 30.2 | -35.8 | 0 | 0 | 0 | 112.5 | K100 | K100-P102 CarbonylContact O-C 3.45Š|
| 103 | F | 92.9 | Very high | 95.9 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | trans | -65.5 | 138.9 | 171.9 | 175.9 | -89.6 | 0 | 0 | 0 | 110 | L97 K100 P105 F138 L206 P207 L210 | L97-F103 HydrophobicContact CD1-CE2 4.38Å; L97-F103 HydrophobicContact CD2-CE2 3.75Å; L97-F103 HydrophobicContact CD2-CZ 4Å; L97-F103 HydrophobicContact CG-CD2 4.35Å; L97-F103 HydrophobicContact CG-CE2 3.69Å; L97-F103 HydrophobicContact CG-CZ 4.38Å; K100-F103 PolarHBondContact O-N 3.03Å; F103-P105 HydrophobicContact CE1-CG 4.36Å; F103-F138 AromaticContact CD1-CE2 3.91Å; F103-F138 HydrophobicContact CD1-CE2 3.91Å; F103-F138 AromaticContact CD1-CZ 3.86Å; F103-F138 HydrophobicContact CD1-CZ 3.86Å; F103-F138 AromaticContact CE1-CE2 3.86Å; F103-F138 HydrophobicContact CE1-CE2 3.86Å; F103-F138 AromaticContact CE1-CZ 3.97Å; F103-F138 HydrophobicContact CE1-CZ 3.97Å; F103-L206 HydrophobicContact CE2-CD2 3.82Å; F103-P207 HydrophobicContact CB-CG 4.28Å; F103-P207 HydrophobicContact CD1-CG 3.89Å; F103-P207 HydrophobicContact CD2-CG 3.86Å; F103-P207 HydrophobicContact CE1-CG 4.2Å; F103-P207 HydrophobicContact CE2-CG 4.14Å; F103-P207 HydrophobicContact CG-CG 3.72Å; F103-P207 HydrophobicContact CZ-CG 4.33Å; F103-L210 HydrophobicContact CE1-CD1 3.54Å; F103-L210 HydrophobicContact CE1-CD2 4.4Å; F103-L210 HydrophobicContact CE2-CD1 4.48Å; F103-L210 HydrophobicContact CE2-CD2 3.88Å; F103-L210 HydrophobicContact CZ-CD1 3.4Å; F103-L210 HydrophobicContact CZ-CD2 3.52Å; F103-L210 HydrophobicContact CZ-CG 4.1Å | ||
| 104 | T | 94.9 | Very high | 95.9 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -126.6 | 128.6 | 174.4 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 105 | P | 96.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -50 | 145.6 | 170.3 | -29.1 | 36.7 | 0 | 0 | 0 | 112.5 | F103 A136 D137 F138 | F103-P105 HydrophobicContact CE1-CG 4.36Å; P105-A136 CarbonylContact C-O 3.57Å; P105-A136 VanDerWaalsContact CA-O 3.29Å; P105-A136 WeakPolarHBondContact CA-O 3.27Å; P105-A136 WeakPolarHBondContact CB-O 3.24Å; P105-D137 HydrophobicContact CB-CB 4.25Å; P105-D137 VanDerWaalsContact CG-OD1 3.32Å; P105-D137 WeakPolarHBondContact CG-OD1 3.15Å; P105-F138 HydrophobicContact CG-CD2 4.47Å; P105-F138 HydrophobicContact CG-CE2 4.43Å | ||
| 106 | A | 97.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 12% | 0.116 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 Y108 A136 | L97-A106 HydrophobicContact CD1-CB 4.2Å; L97-A106 HydrophobicContact CD2-CB 3.88Å; A106-Y108 HydrophobicContact CB-CD2 4.29Å; A106-Y108 HydrophobicContact CB-CE1 4.48Å; A106-Y108 HydrophobicContact CB-CE2 3.64Å; A106-A136 PolarHBondContact N-O 2.84Å; A106-A136 PolarHBondContact O-N 3.48Å |
| 107 | K | 98.2 | Very high | 95.5 | Very high | 168 Ų | 168 | 67.6 Ų | 67.6 | 73% | 0.73 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.6 | 172 | -57.4 | 178.1 | -174.6 | 171.5 | 0 | 107.2 | L134 V135 | K107-L134 WeakPolarHBondContact CA-O 3.34Å; K107-V135 HydrophobicContact CG-CG1 4.08Å; K107-V135 HydrophobicContact CG-CG2 4.09Å |
| 108 | Y | 98.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 70.2 Ų | 70.2 | 17% | 0.173 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.8 | 178.9 | -62.7 | -57.6 | 0 | 0 | 0 | 110.4 | M93 L97 A106 G133 L134 | M93-Y108 HydrophobicContact CB-CD2 4.24Å; M93-Y108 HydrophobicContact CB-CE2 4.3Å; M93-Y108 HydrophobicContact CE-CD1 4.44Å; M93-Y108 HydrophobicContact CE-CE1 3.97Å; M93-Y108 HydrophobicContact CE-CE2 4.48Å; L97-Y108 HydrophobicContact CD2-CE2 4.39Å; A106-Y108 HydrophobicContact CB-CD2 4.29Å; A106-Y108 HydrophobicContact CB-CE1 4.48Å; A106-Y108 HydrophobicContact CB-CE2 3.64Å; Y108-G133 WeakPolarHBondContact O-CA 3.49Å; Y108-L134 HydrophobicContact CD2-CD1 3.81Å; Y108-L134 HydrophobicContact CD2-CG 4.48Å; Y108-L134 HydrophobicContact CG-CD1 4.43Å; Y108-L134 PolarHBondContact N-O 3.47Å; Y108-L134 PolarHBondContact O-N 2.9Å |
| 109 | Y | 98.3 | Very high | 94.2 | Very high | 163 Ų | 163 | 76.2 Ų | 76.2 | 64% | 0.639 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 155.7 | 167.3 | 79.5 | -78.2 | 0 | 0 | 0 | 109.9 | M1 E132 | M1-Y109 WeakPolarHBondContact CG-O 3.37Å; M1-Y109 PolarHBondContact N-O 3.44Å; Y109-E132 CarbonylContact C-O 3.44Å; Y109-E132 WeakPolarHBondContact CA-O 3.22Å; Y109-E132 WeakPolarHBondContact CB-O 3.36Å |
| 110 | S | 97.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.028 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 153.4 | 169.8 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | M1 T3 V131 E132 | M1-S110 VanDerWaalsContact CE-CB 3.47Å; M1-S110 WeakPolarHBondContact CE-OG 3.22Å; T3-S110 VanDerWaalsContact CG2-CB 3.45Å; S110-V131 WeakPolarHBondContact O-CA 3.48Å; S110-E132 PolarHBondContact N-O 3.2Å; S110-E132 PolarHBondContact O-N 3.29Å |
| 111 | I | 97.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 73.7 Ų | 73.7 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114 | 167.2 | -55.9 | 178.7 | 0 | 0 | 0 | 105.2 | Q130 V131 L219 | I111-Q130 WeakPolarHBondContact CA-O 3.48Å; I111-V131 HydrophobicContact CD1-CG1 4.49Å; I111-V131 HydrophobicContact CD1-CG2 4.29Å; I111-V131 HydrophobicContact CG1-CB 4.34Å; I111-V131 HydrophobicContact CG1-CG1 4.03Å; I111-V131 HydrophobicContact CG1-CG2 3.98Å; I111-V131 HydrophobicContact CG2-CG2 4.14Å; I111-L219 HydrophobicContact CG2-CD2 4.26Å |
| 112 | D | 97.5 | Very high | 91.7 | Very high | 23 Ų | 23 | 68.3 Ų | 68.3 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164.2 | 178.1 | -153.9 | -2.8 | 0 | 0 | 0 | 112.5 | T3 R83 T86 H129 Q130 | T3-D112 WeakPolarHBondContact CB-OD2 3.45Å; T3-D112 HydrophobicContact CG2-CB 3.99Å; T3-D112 VanDerWaalsContact OG1-CG 3.22Å; T3-D112 PolarHBondContact OG1-OD2 3.15Å; R83-D112 IonicContact CZ-OD2 2.75Å; R83-D112 IonicContact NH1-OD2 2.66Å; R83-D112 PolarHBondContact NH1-OD2 2.76Å; T86-D112 HydrophobicContact CG2-CB 4.07Å; D112-H129 CarbonylContact O-C 3.53Å; D112-H129 WeakPolarHBondContact O-CA 3.49Å; D112-Q130 PolarHBondContact N-O 3.03Å; D112-Q130 VanDerWaalsContact N-O 3.16Å; D112-Q130 PolarHBondContact O-N 3.04Å |
| 113 | R | 96.1 | Very high | 90.7 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 141.2 | 175.8 | -168.4 | -179.7 | -62.4 | -163.6 | 3.6 | 111.5 | Y6 R83 F115 E127 F128 | Y6-R113 HydrophobicContact CE1-CB 4.31Å; R83-R113 VanDerWaalsContact CD-O 3.28Å; R83-R113 WeakPolarHBondContact CD-O 3.41Å; R113-F115 HydrophobicContact CG-CE1 4.33Å; R113-F115 HydrophobicContact CG-CE2 4.42Å; R113-F115 HydrophobicContact CG-CZ 4.06Å; R113-E127 WeakPolarHBondContact CD-OE2 3.39Å; R113-E127 HydrophobicContact CG-CB 4.18Å; R113-E127 IonicContact CZ-OE1 3.41Å; R113-E127 IonicContact CZ-OE2 3.88Å; R113-E127 IonicContact NE-OE2 3.8Å; R113-E127 IonicContact NH1-OE1 3.04Å; R113-E127 PolarHBondContact NH1-OE1 3.13Å; R113-E127 IonicContact NH1-OE2 3.69Å; R113-E127 PolarHBondContact NH1-OE2 2.93Å; R113-F128 CarbonylContact C-O 3.59Å; R113-F128 VanDerWaalsContact CA-O 3.31Å; R113-F128 WeakPolarHBondContact CA-O 3.44Å |
| 114 | V | 96.8 | Very high | 90 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158.5 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | T86 E127 F128 Q130 | T86-V114 HydrophobicContact CG2-CG1 3.89Å; V114-E127 VanDerWaalsContact O-CA 3.29Å; V114-E127 WeakPolarHBondContact O-CA 3.32Å; V114-F128 HydrophobicContact CG2-CD1 4.17Å; V114-F128 HydrophobicContact CG2-CD2 3.88Å; V114-F128 HydrophobicContact CG2-CE1 3.82Å; V114-F128 HydrophobicContact CG2-CE2 3.49Å; V114-F128 VanDerWaalsContact CG2-CE2 3.49Å; V114-F128 HydrophobicContact CG2-CG 4.19Å; V114-F128 HydrophobicContact CG2-CZ 3.46Å; V114-F128 VanDerWaalsContact CG2-CZ 3.46Å; V114-F128 WeakPolarHBondContact CG2-O 3.21Å; V114-F128 PolarHBondContact N-O 3.34Å; V114-F128 PolarHBondContact O-N 3.12Å; V114-F128 VanDerWaalsContact O-N 3.1Å; V114-Q130 HydrophobicContact CG1-CB 4Å; V114-Q130 HydrophobicContact CG2-CB 4.13Å |
| 115 | F | 96.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.4 | -171.8 | -52.7 | -93.7 | 0 | 0 | 0 | 110 | Y6 F32 L82 R83 T84 R113 A126 E127 | Y6-F115 AromaticContact CD1-CE2 3.93Å; Y6-F115 HydrophobicContact CD1-CE2 3.93Å; Y6-F115 HydrophobicContact CD1-CZ 4.2Å; Y6-F115 HydrophobicContact CD2-CE2 4.5Å; Y6-F115 HydrophobicContact CD2-CZ 4.15Å; Y6-F115 AromaticContact CG-CE2 3.84Å; Y6-F115 HydrophobicContact CG-CE2 3.84Å; Y6-F115 AromaticContact CG-CZ 3.94Å; Y6-F115 HydrophobicContact CG-CZ 3.94Å; F32-F115 HydrophobicContact CD2-CB 3.95Å; F32-F115 HydrophobicContact CE2-CB 4.45Å; L82-F115 HydrophobicContact CB-CB 3.65Å; L82-F115 HydrophobicContact CB-CD2 3.72Å; L82-F115 HydrophobicContact CB-CG 3.75Å; L82-F115 HydrophobicContact CD1-CB 4.16Å; L82-F115 HydrophobicContact CD1-CD1 4.01Å; L82-F115 HydrophobicContact CD1-CD2 4.49Å; L82-F115 HydrophobicContact CD1-CG 3.97Å; L82-F115 HydrophobicContact CG-CG 4.42Å; R83-F115 HydrophobicContact CG-CD2 4.05Å; R83-F115 HydrophobicContact CG-CE2 4.29Å; R83-F115 PolarHBondContact O-N 3.49Å; T84-F115 WeakPolarHBondContact CA-O 3.02Å; R113-F115 HydrophobicContact CG-CE1 4.33Å; R113-F115 HydrophobicContact CG-CE2 4.42Å; R113-F115 HydrophobicContact CG-CZ 4.06Å; F115-A126 CarbonylContact C-O 3.55Å; F115-A126 VanDerWaalsContact CA-O 3.28Å; F115-A126 WeakPolarHBondContact CA-O 3.37Å; F115-E127 HydrophobicContact CD1-CB 3.84Å; F115-E127 HydrophobicContact CE1-CB 4.05Å; F115-E127 WeakPolarHBondContact CE1-OE2 3.5Å |
| 116 | R | 93.2 | Very high | 89.3 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | trans | -138.1 | 137.1 | 177.6 | -61.4 | -170.3 | -175.7 | 173.8 | -0.7 | 109.8 | F32 T84 E118 A126 F128 | F32-R116 WeakPolarHBondContact CE2-O 3.42Å; T84-R116 PolarHBondContact O-NE 3.48Å; R116-E118 HydrophobicContact CB-CG 4.01Å; R116-E118 WeakPolarHBondContact CD-OE1 3.3Å; R116-E118 IonicContact NH1-OE1 3.88Å; R116-E118 PolarHBondContact NH1-OE1 3.48Å; R116-E118 PolarHBondContact O-N 3.33Å; R116-A126 PolarHBondContact N-O 2.86Å; R116-A126 WeakPolarHBondContact O-CA 3.31Å; R116-F128 HydrophobicContact CG-CE1 4.08Å | ||
| 117 | N | 91.8 | Very high | 89 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 32% | 0.316 | 33% | 0.327 | S | S | . | . | trans | -80.7 | 47.7 | 178.8 | -164.2 | 14.1 | 0 | 0 | 0 | 111.2 | A28 D30 F32 | A28-N117 PolarHBondContact O-ND2 3.34Å; D30-N117 PolarHBondContact O-N 3.02Å; F32-N117 HydrophobicContact CD1-CB 3.93Å; F32-N117 HydrophobicContact CD2-CB 4.36Å; F32-N117 HydrophobicContact CE1-CB 3.7Å; F32-N117 VanDerWaalsContact CE1-CG 3.42Å; F32-N117 WeakPolarHBondContact CE1-OD1 3.47Å; F32-N117 HydrophobicContact CE2-CB 4.18Å; F32-N117 HydrophobicContact CG-CB 4.26Å; F32-N117 HydrophobicContact CZ-CB 3.84Å | ||
| 118 | E | 83.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 27% | 0.271 | 30% | 0.297 | S | S | . | . | trans | -86.5 | 147.3 | 178.7 | -69.1 | 174.8 | -162.1 | 0 | 0 | 110.1 | R116 L120 H124 | R116-E118 HydrophobicContact CB-CG 4.01Å; R116-E118 WeakPolarHBondContact CD-OE1 3.3Å; R116-E118 IonicContact NH1-OE1 3.88Å; R116-E118 PolarHBondContact NH1-OE1 3.48Å; R116-E118 PolarHBondContact O-N 3.33Å; E118-L120 PolarHBondContact O-N 3.24Å; E118-H124 IonicContact OE2-CD2 3.48Å; E118-H124 PolarHBondContact OE2-CD2 2.83Å; E118-H124 IonicContact OE2-CG 3.95Å | ||
| 119 | N | 79.8 | Confident | 88.6 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 80% | 0.802 | 30% | 0.298 | S | S | * | . | trans | -58.7 | 125.3 | 175 | -78.8 | -37 | 0 | 0 | 0 | 110.4 | D121 | N119-D121 PolarHBondContact O-N 2.85Š| ||
| 120 | L | 75.7 | Confident | 88.5 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | trans | -65.3 | 108.8 | 179.6 | -68.9 | 173.5 | 0 | 0 | 0 | 110.8 | E118 A126 R233 | E118-L120 PolarHBondContact O-N 3.24Å; L120-A126 HydrophobicContact CD2-CB 3.94Å; L120-A126 VanDerWaalsContact CD2-N 3.3Å; L120-R233 PolarHBondContact O-NH2 3.43Å | ||
| 121 | D | 78.8 | Confident | 88.5 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 28% | 0.275 | S | S | . | . | trans | -122.3 | -171.1 | 172.9 | 71.3 | 31.5 | 0 | 0 | 0 | 111.6 | N119 T123 H124 R233 | N119-D121 PolarHBondContact O-N 2.85Å; D121-T123 PolarHBondContact O-N 3.29Å; D121-T123 VanDerWaalsContact OD1-CA 3.3Å; D121-T123 WeakPolarHBondContact OD1-CA 3.34Å; D121-T123 PolarHBondContact OD1-N 3.48Å; D121-T123 PolarHBondContact OD1-OG1 2.9Å; D121-H124 VanDerWaalsContact CG-ND1 3.28Å; D121-H124 PolarHBondContact N-O 3.11Å; D121-H124 IonicContact OD1-CG 3.94Å; D121-H124 PolarHBondContact OD1-N 3.1Å; D121-H124 IonicContact OD1-ND1 3.82Å; D121-H124 PolarHBondContact OD1-ND1 3.14Å; D121-H124 IonicContact OD2-CE1 2.78Å; D121-H124 IonicContact OD2-CG 3.49Å; D121-H124 IonicContact OD2-ND1 3.92Å; D121-H124 PolarHBondContact OD2-ND1 3.12Å; D121-R233 VanDerWaalsContact O-CZ 3.31Å; D121-R233 PolarHBondContact O-NH2 2.94Å | ||
| 122 | A | 72 | Confident | 88.5 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -66.6 | -15.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N231 I232 | A122-N231 WeakPolarHBondContact O-CA 3.35Å; A122-I232 WeakPolarHBondContact O-CG2 3.38Å; A122-I232 PolarHBondContact O-N 3.29Å |
| 123 | T | 72.5 | Confident | 88.6 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 46% | 0.46 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -120.8 | -17.8 | -171.8 | 49.5 | 0 | 0 | 0 | 0 | 114.2 | D121 | D121-T123 PolarHBondContact O-N 3.29Å; D121-T123 VanDerWaalsContact OD1-CA 3.3Å; D121-T123 WeakPolarHBondContact OD1-CA 3.34Å; D121-T123 PolarHBondContact OD1-N 3.48Å; D121-T123 PolarHBondContact OD1-OG1 2.9Å |
| 124 | H | 78.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 45 Ų | 45 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | trans | -120.1 | 128 | -178.1 | -56.9 | 97.5 | 0 | 0 | 0 | 110.7 | E118 D121 | E118-H124 IonicContact OE2-CD2 3.48Å; E118-H124 PolarHBondContact OE2-CD2 2.83Å; E118-H124 IonicContact OE2-CG 3.95Å; D121-H124 VanDerWaalsContact CG-ND1 3.28Å; D121-H124 PolarHBondContact N-O 3.11Å; D121-H124 IonicContact OD1-CG 3.94Å; D121-H124 PolarHBondContact OD1-N 3.1Å; D121-H124 IonicContact OD1-ND1 3.82Å; D121-H124 PolarHBondContact OD1-ND1 3.14Å; D121-H124 IonicContact OD2-CE1 2.78Å; D121-H124 IonicContact OD2-CG 3.49Å; D121-H124 IonicContact OD2-ND1 3.92Å; D121-H124 PolarHBondContact OD2-ND1 3.12Å | ||
| 125 | L | 83.9 | Confident | 88.8 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | trans | -109 | 150.3 | 169.7 | -69.1 | 179.3 | 0 | 0 | 0 | 109.3 | E127 I232 R233 I236 | L125-E127 WeakPolarHBondContact CB-O 3.48Å; L125-E127 PolarHBondContact O-N 2.86Å; L125-I232 HydrophobicContact CD1-CD1 3.93Å; L125-I232 HydrophobicContact CD1-CG1 3.73Å; L125-I232 HydrophobicContact CD1-CG2 4.15Å; L125-I232 HydrophobicContact CD2-CG2 3.74Å; L125-I232 HydrophobicContact CG-CB 4.36Å; L125-I232 HydrophobicContact CG-CD1 3.91Å; L125-I232 HydrophobicContact CG-CG1 3.96Å; L125-I232 HydrophobicContact CG-CG2 3.56Å; L125-R233 HydrophobicContact CD2-CG 3.83Å; L125-I236 HydrophobicContact CD1-CB 4.25Å | ||
| 126 | A | 90.7 | Very high | 88.8 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 22% | 0.223 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -64.2 | -23.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F32 F115 R116 L120 | F32-A126 HydrophobicContact CE2-CB 4.15Å; F32-A126 HydrophobicContact CZ-CB 4.1Å; F115-A126 CarbonylContact C-O 3.55Å; F115-A126 VanDerWaalsContact CA-O 3.28Å; F115-A126 WeakPolarHBondContact CA-O 3.37Å; R116-A126 PolarHBondContact N-O 2.86Å; R116-A126 WeakPolarHBondContact O-CA 3.31Å; L120-A126 HydrophobicContact CD2-CB 3.94Å; L120-A126 VanDerWaalsContact CD2-N 3.3Å |
| 127 | E | 92.7 | Very high | 89.1 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.3 | 172 | 58.3 | 171.4 | -155.1 | 0 | 0 | 111 | R113 V114 F115 L125 | R113-E127 WeakPolarHBondContact CD-OE2 3.39Å; R113-E127 HydrophobicContact CG-CB 4.18Å; R113-E127 IonicContact CZ-OE1 3.41Å; R113-E127 IonicContact CZ-OE2 3.88Å; R113-E127 IonicContact NE-OE2 3.8Å; R113-E127 IonicContact NH1-OE1 3.04Å; R113-E127 PolarHBondContact NH1-OE1 3.13Å; R113-E127 IonicContact NH1-OE2 3.69Å; R113-E127 PolarHBondContact NH1-OE2 2.93Å; V114-E127 VanDerWaalsContact O-CA 3.29Å; V114-E127 WeakPolarHBondContact O-CA 3.32Å; F115-E127 HydrophobicContact CD1-CB 3.84Å; F115-E127 HydrophobicContact CE1-CB 4.05Å; F115-E127 WeakPolarHBondContact CE1-OE2 3.5Å; L125-E127 WeakPolarHBondContact CB-O 3.48Å; L125-E127 PolarHBondContact O-N 2.86Å |
| 128 | F | 92.9 | Very high | 89.3 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 168.8 | 177.5 | 65.5 | -88.8 | 0 | 0 | 0 | 110.3 | R113 V114 R116 | R113-F128 CarbonylContact C-O 3.59Å; R113-F128 VanDerWaalsContact CA-O 3.31Å; R113-F128 WeakPolarHBondContact CA-O 3.44Å; V114-F128 HydrophobicContact CG2-CD1 4.17Å; V114-F128 HydrophobicContact CG2-CD2 3.88Å; V114-F128 HydrophobicContact CG2-CE1 3.82Å; V114-F128 HydrophobicContact CG2-CE2 3.49Å; V114-F128 VanDerWaalsContact CG2-CE2 3.49Å; V114-F128 HydrophobicContact CG2-CG 4.19Å; V114-F128 HydrophobicContact CG2-CZ 3.46Å; V114-F128 VanDerWaalsContact CG2-CZ 3.46Å; V114-F128 WeakPolarHBondContact CG2-O 3.21Å; V114-F128 PolarHBondContact N-O 3.34Å; V114-F128 PolarHBondContact O-N 3.12Å; V114-F128 VanDerWaalsContact O-N 3.1Å; R116-F128 HydrophobicContact CG-CE1 4.08Å |
| 129 | H | 95.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.4 | -177.9 | -54.2 | 78.8 | 0 | 0 | 0 | 110.9 | D112 S218 L219 E220 | D112-H129 CarbonylContact O-C 3.53Å; D112-H129 WeakPolarHBondContact O-CA 3.49Å; H129-S218 WeakPolarHBondContact O-CA 3.45Å; H129-L219 HydrophobicContact CB-CB 3.97Å; H129-L219 HydrophobicContact CB-CD2 4.11Å; H129-L219 PolarHBondContact O-N 2.78Å; H129-E220 WeakPolarHBondContact CB-OE1 3.21Å; H129-E220 IonicContact CE1-OE1 3.96Å; H129-E220 IonicContact CG-OE1 2.8Å; H129-E220 VanDerWaalsContact N-CD 3.34Å; H129-E220 PolarHBondContact N-OE1 2.78Å; H129-E220 PolarHBondContact N-OE2 2.83Å; H129-E220 IonicContact ND1-OE1 2.78Å; H129-E220 PolarHBondContact ND1-OE1 2.75Å |
| 130 | Q | 96.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.8 | 175 | -174.1 | 170.3 | -51.7 | 0 | 0 | 110.1 | T86 I111 D112 V114 E132 | T86-Q130 HydrophobicContact CG2-CB 4.19Å; T86-Q130 WeakPolarHBondContact OG1-CG 3.36Å; T86-Q130 PolarHBondContact OG1-NE2 3.09Å; I111-Q130 WeakPolarHBondContact CA-O 3.48Å; D112-Q130 PolarHBondContact N-O 3.03Å; D112-Q130 VanDerWaalsContact N-O 3.16Å; D112-Q130 PolarHBondContact O-N 3.04Å; V114-Q130 HydrophobicContact CG1-CB 4Å; V114-Q130 HydrophobicContact CG2-CB 4.13Å; Q130-E132 PolarHBondContact NE2-OE2 3.31Å |
| 131 | V | 97.1 | Very high | 91.7 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.5 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | S110 I111 G216 L217 L219 | S110-V131 WeakPolarHBondContact O-CA 3.48Å; I111-V131 HydrophobicContact CD1-CG1 4.49Å; I111-V131 HydrophobicContact CD1-CG2 4.29Å; I111-V131 HydrophobicContact CG1-CB 4.34Å; I111-V131 HydrophobicContact CG1-CG1 4.03Å; I111-V131 HydrophobicContact CG1-CG2 3.98Å; I111-V131 HydrophobicContact CG2-CG2 4.14Å; V131-G216 CarbonylContact O-C 3.56Å; V131-G216 WeakPolarHBondContact O-CA 3.18Å; V131-L217 HydrophobicContact CB-CD2 4.33Å; V131-L217 HydrophobicContact CB-CG 4.14Å; V131-L217 HydrophobicContact CG1-CD2 4.45Å; V131-L217 PolarHBondContact N-O 2.82Å; V131-L217 PolarHBondContact O-N 2.81Å; V131-L219 HydrophobicContact CG2-CB 4.22Å; V131-L219 HydrophobicContact CG2-CD1 4.05Å |
| 132 | E | 97.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 37 Ų | 37 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.9 | 174.3 | -170.2 | 170.3 | 124.4 | 0 | 0 | 110.3 | T86 T87 S90 Y109 S110 Q130 W215 | T86-E132 WeakPolarHBondContact OG1-CB 3.5Å; T86-E132 PolarHBondContact OG1-OE2 3.33Å; T87-E132 VanDerWaalsContact CA-OE1 3.31Å; T87-E132 WeakPolarHBondContact CA-OE1 3.41Å; T87-E132 WeakPolarHBondContact CA-OE2 3.37Å; T87-E132 WeakPolarHBondContact CB-OE2 3.33Å; T87-E132 PolarHBondContact N-OE2 2.84Å; T87-E132 VanDerWaalsContact N-OE2 3.12Å; T87-E132 PolarHBondContact OG1-OE2 2.93Å; S90-E132 VanDerWaalsContact CB-OE1 3.3Å; S90-E132 WeakPolarHBondContact CB-OE1 3.48Å; S90-E132 PolarHBondContact OG-OE1 2.98Å; Y109-E132 CarbonylContact C-O 3.44Å; Y109-E132 WeakPolarHBondContact CA-O 3.22Å; Y109-E132 WeakPolarHBondContact CB-O 3.36Å; S110-E132 PolarHBondContact N-O 3.2Å; S110-E132 PolarHBondContact O-N 3.29Å; Q130-E132 PolarHBondContact NE2-OE2 3.31Å; E132-W215 WeakPolarHBondContact CA-O 3.36Å |
| 133 | G | 98.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y108 A214 W215 | Y108-G133 WeakPolarHBondContact O-CA 3.49Å; G133-A214 CarbonylContact O-C 3.54Å; G133-A214 VanDerWaalsContact O-CA 3.26Å; G133-A214 WeakPolarHBondContact O-CA 3.46Å; G133-W215 PolarHBondContact N-O 2.8Å; G133-W215 VanDerWaalsContact O-CE3 3.27Å; G133-W215 PolarHBondContact O-N 2.78Å |
| 134 | L | 98.3 | Very high | 95 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 153.4 | 173.4 | 71.8 | 82.4 | 0 | 0 | 0 | 112 | S90 L94 K107 Y108 F196 V212 I213 A214 | S90-L134 VanDerWaalsContact CB-CD2 3.48Å; S90-L134 WeakPolarHBondContact OG-CD2 3.36Å; L94-L134 HydrophobicContact CD1-CD2 4.47Å; L94-L134 HydrophobicContact CD2-CD1 4.3Å; L94-L134 HydrophobicContact CG-CD2 4.48Å; K107-L134 WeakPolarHBondContact CA-O 3.34Å; Y108-L134 HydrophobicContact CD2-CD1 3.81Å; Y108-L134 HydrophobicContact CD2-CG 4.48Å; Y108-L134 HydrophobicContact CG-CD1 4.43Å; Y108-L134 PolarHBondContact N-O 3.47Å; Y108-L134 PolarHBondContact O-N 2.9Å; L134-F196 HydrophobicContact CD2-CE2 4.3Å; L134-V212 HydrophobicContact CB-CG1 4.24Å; L134-V212 HydrophobicContact CD1-CG1 4.06Å; L134-I213 CarbonylContact C-O 3.57Å; L134-I213 WeakPolarHBondContact CA-O 3.39Å; L134-A214 HydrophobicContact CB-CB 3.88Å |
| 135 | V | 98.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.1 | 173.3 | -179 | 0 | 0 | 0 | 0 | 108 | K107 L140 V212 I213 W215 | K107-V135 HydrophobicContact CG-CG1 4.08Å; K107-V135 HydrophobicContact CG-CG2 4.09Å; V135-L140 HydrophobicContact CB-CD1 4.32Å; V135-L140 HydrophobicContact CG1-CD1 3.98Å; V135-L140 VanDerWaalsContact O-CD1 3.24Å; V135-L140 WeakPolarHBondContact O-CD1 3.17Å; V135-V212 WeakPolarHBondContact O-CA 3.38Å; V135-I213 HydrophobicContact CB-CD1 4.04Å; V135-I213 HydrophobicContact CB-CG1 3.76Å; V135-I213 HydrophobicContact CG2-CD1 4.45Å; V135-I213 HydrophobicContact CG2-CG1 4.39Å; V135-I213 PolarHBondContact N-O 3.21Å; V135-I213 PolarHBondContact O-N 2.8Å; V135-W215 HydrophobicContact CG2-CZ3 4.27Å |
| 136 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L94 L97 P105 A106 V212 | L94-A136 HydrophobicContact CD2-CB 4.16Å; L97-A136 HydrophobicContact CD2-CB 4.18Å; P105-A136 CarbonylContact C-O 3.57Å; P105-A136 VanDerWaalsContact CA-O 3.29Å; P105-A136 WeakPolarHBondContact CA-O 3.27Å; P105-A136 WeakPolarHBondContact CB-O 3.24Å; A106-A136 PolarHBondContact N-O 2.84Å; A106-A136 PolarHBondContact O-N 3.48Å; A136-V212 HydrophobicContact CB-CG1 4.31Å; A136-V212 HydrophobicContact CB-CG2 3.75Å |
| 137 | D | 97.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 31% | 0.31 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 169 | -179.1 | -149.4 | -18.6 | 0 | 0 | 0 | 110.8 | P105 L140 S211 | P105-D137 HydrophobicContact CB-CB 4.25Å; P105-D137 VanDerWaalsContact CG-OD1 3.32Å; P105-D137 WeakPolarHBondContact CG-OD1 3.15Å; D137-L140 HydrophobicContact CB-CD1 3.85Å; D137-L140 HydrophobicContact CB-CD2 4.01Å; D137-L140 HydrophobicContact CB-CG 3.87Å; D137-S211 PolarHBondContact N-O 3.12Å; D137-S211 VanDerWaalsContact N-O 3.09Å; D137-S211 PolarHBondContact O-N 3.04Å |
| 138 | F | 96.6 | Very high | 97.1 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 43% | 0.425 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 139.6 | 179.2 | -61.3 | -84.4 | 0 | 0 | 0 | 111.1 | F103 P105 L140 P207 L210 | F103-F138 AromaticContact CD1-CE2 3.91Å; F103-F138 HydrophobicContact CD1-CE2 3.91Å; F103-F138 AromaticContact CD1-CZ 3.86Å; F103-F138 HydrophobicContact CD1-CZ 3.86Å; F103-F138 AromaticContact CE1-CE2 3.86Å; F103-F138 HydrophobicContact CE1-CE2 3.86Å; F103-F138 AromaticContact CE1-CZ 3.97Å; F103-F138 HydrophobicContact CE1-CZ 3.97Å; P105-F138 HydrophobicContact CG-CD2 4.47Å; P105-F138 HydrophobicContact CG-CE2 4.43Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.2Å; F138-P207 HydrophobicContact CE1-CB 4.27Å; F138-P207 HydrophobicContact CE1-CG 4.07Å; F138-P207 HydrophobicContact CZ-CB 4.32Å; F138-P207 HydrophobicContact CZ-CG 3.85Å; F138-L210 HydrophobicContact CD1-CB 4.46Å; F138-L210 HydrophobicContact CE1-CB 4.21Å; F138-L210 HydrophobicContact CE1-CD1 4.37Å; F138-L210 HydrophobicContact CE2-CD1 4.42Å; F138-L210 HydrophobicContact CZ-CD1 4.32Å |
| 139 | G | 94.8 | Very high | 97.3 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 20.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | H144 | G139-H144 PolarHBondContact O-CE1 2.95Å; G139-H144 PolarHBondContact O-ND1 2.91Å |
| 140 | L | 97.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 41.5 Ų | 41.5 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | trans | -65.7 | 145 | 173 | -60.5 | 179.9 | 0 | 0 | 0 | 110.9 | V135 D137 F138 H144 S211 I213 | V135-L140 HydrophobicContact CB-CD1 4.32Å; V135-L140 HydrophobicContact CG1-CD1 3.98Å; V135-L140 VanDerWaalsContact O-CD1 3.24Å; V135-L140 WeakPolarHBondContact O-CD1 3.17Å; D137-L140 HydrophobicContact CB-CD1 3.85Å; D137-L140 HydrophobicContact CB-CD2 4.01Å; D137-L140 HydrophobicContact CB-CG 3.87Å; F138-L140 VanDerWaalsContact C-N 3.3Å; F138-L140 PolarHBondContact O-N 3.2Å; L140-H144 HydrophobicContact CD2-CB 4.18Å; L140-S211 WeakPolarHBondContact CD1-O 3.36Å; L140-I213 HydrophobicContact CB-CG2 3.92Å; L140-I213 HydrophobicContact CD1-CD1 4.08Å; L140-I213 HydrophobicContact CD1-CG1 3.95Å; L140-I213 HydrophobicContact CD1-CG2 4.25Å | ||
| 141 | S | 96.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 44 Ų | 44 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | trans | -138.8 | 172 | -173.7 | 76.3 | 0 | 0 | 0 | 0 | 109.9 | G143 H144 L145 | S141-G143 PolarHBondContact O-N 2.96Å; S141-G143 PolarHBondContact OG-N 2.5Å; S141-H144 PolarHBondContact N-ND1 3.48Å; S141-H144 VanDerWaalsContact N-ND1 3.1Å; S141-H144 WeakPolarHBondContact O-CB 3.49Å; S141-H144 PolarHBondContact O-N 2.67Å; S141-H144 PolarHBondContact OG-ND1 3.21Å; S141-L145 PolarHBondContact O-N 3.12Å; S141-L145 VanDerWaalsContact O-N 3.15Å | ||
| 142 | L | 97.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56.3 | -33.2 | 174.6 | -156.7 | 65.3 | 0 | 0 | 0 | 113.1 | L145 K146 P173 M175 L195 | L142-L145 PolarHBondContact O-N 3.5Å; L142-K146 WeakPolarHBondContact O-CG 3.37Å; L142-K146 PolarHBondContact O-N 3.13Å; L142-P173 HydrophobicContact CD1-CB 4.33Å; L142-P173 HydrophobicContact CD1-CG 3.47Å; L142-P173 VanDerWaalsContact CD1-CG 3.47Å; L142-P173 HydrophobicContact CD2-CG 4.45Å; L142-P173 HydrophobicContact CG-CG 4.45Å; L142-M175 HydrophobicContact CD1-CE 3Å; L142-M175 HydrophobicContact CD2-CE 4.2Å; L142-M175 HydrophobicContact CG-CE 3.53Å; L142-L195 HydrophobicContact CD1-CD1 3.85Å |
| 143 | G | 97.6 | Very high | 97 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S141 K146 S147 | S141-G143 PolarHBondContact O-N 2.96Å; S141-G143 PolarHBondContact OG-N 2.5Å; G143-K146 PolarHBondContact O-N 3.09Å; G143-S147 WeakPolarHBondContact O-CB 3.31Å; G143-S147 PolarHBondContact O-N 3.4Å |
| 144 | H | 98.2 | Very high | 96.7 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.8 | -63.2 | 125.7 | 0 | 0 | 0 | 111.3 | G139 L140 S141 K146 S147 V148 I213 | G139-H144 PolarHBondContact O-CE1 2.95Å; G139-H144 PolarHBondContact O-ND1 2.91Å; L140-H144 HydrophobicContact CD2-CB 4.18Å; S141-H144 PolarHBondContact N-ND1 3.48Å; S141-H144 VanDerWaalsContact N-ND1 3.1Å; S141-H144 WeakPolarHBondContact O-CB 3.49Å; S141-H144 PolarHBondContact O-N 2.67Å; S141-H144 PolarHBondContact OG-ND1 3.21Å; H144-K146 PolarHBondContact O-N 3.24Å; H144-S147 WeakPolarHBondContact O-CB 3.26Å; H144-S147 PolarHBondContact O-N 3.42Å; H144-V148 WeakPolarHBondContact O-CG2 3.48Å; H144-V148 PolarHBondContact O-N 2.9Å; H144-I213 HydrophobicContact CB-CD1 4.31Å |
| 145 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 176 | 177.5 | 53.5 | 0 | 0 | 0 | 112.1 | S141 L142 S147 V148 I149 M175 L195 I213 | S141-L145 PolarHBondContact O-N 3.12Å; S141-L145 VanDerWaalsContact O-N 3.15Å; L142-L145 PolarHBondContact O-N 3.5Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.16Å; L145-V148 PolarHBondContact O-N 3.29Å; L145-I149 HydrophobicContact CD1-CD1 3.53Å; L145-I149 HydrophobicContact CD1-CG1 3.92Å; L145-I149 HydrophobicContact CG-CD1 3.72Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.3Å; L145-I149 PolarHBondContact O-N 2.92Å; L145-M175 HydrophobicContact CD2-CE 3.83Å; L145-M175 HydrophobicContact CG-CE 4.23Å; L145-L195 HydrophobicContact CB-CD1 4.46Å; L145-L195 HydrophobicContact CD2-CD1 3.85Å; L145-I213 HydrophobicContact CB-CB 4.1Å; L145-I213 HydrophobicContact CB-CD1 4.4Å; L145-I213 HydrophobicContact CB-CG2 3.99Å; L145-I213 HydrophobicContact CD1-CB 4.1Å; L145-I213 HydrophobicContact CG-CB 4.48Å |
| 146 | K | 97.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 29% | 0.291 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -37.8 | 176.6 | -72.6 | 178.2 | 178.9 | 177.5 | 0 | 112.5 | L142 G143 H144 R150 F163 M175 | L142-K146 WeakPolarHBondContact O-CG 3.37Å; L142-K146 PolarHBondContact O-N 3.13Å; G143-K146 PolarHBondContact O-N 3.09Å; H144-K146 PolarHBondContact O-N 3.24Å; K146-R150 WeakPolarHBondContact O-CB 3.29Å; K146-R150 VanDerWaalsContact O-CG 3.25Å; K146-R150 WeakPolarHBondContact O-CG 3.5Å; K146-R150 PolarHBondContact O-N 3.32Å; K146-F163 HydrophobicContact CB-CE2 4.07Å; K146-F163 HydrophobicContact CB-CZ 3.97Å; K146-F163 HydrophobicContact CD-CD2 4.01Å; K146-F163 HydrophobicContact CD-CE2 4.13Å; K146-F163 HydrophobicContact CD-CG 4.44Å; K146-F163 HydrophobicContact CG-CD1 4.33Å; K146-F163 HydrophobicContact CG-CD2 4.03Å; K146-F163 HydrophobicContact CG-CE1 4.14Å; K146-F163 HydrophobicContact CG-CE2 3.85Å; K146-F163 HydrophobicContact CG-CG 4.26Å; K146-F163 HydrophobicContact CG-CZ 3.89Å; K146-M175 HydrophobicContact CG-CE 4.09Å; K146-M175 HydrophobicContact CG-SD 3.86Å |
| 147 | S | 97.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 61 Ų | 61 | 48% | 0.476 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | G143 H144 L145 R150 T151 | G143-S147 WeakPolarHBondContact O-CB 3.31Å; G143-S147 PolarHBondContact O-N 3.4Å; H144-S147 WeakPolarHBondContact O-CB 3.26Å; H144-S147 PolarHBondContact O-N 3.42Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.16Å; S147-R150 PolarHBondContact O-N 2.89Å; S147-T151 WeakPolarHBondContact O-CB 3.46Å; S147-T151 PolarHBondContact O-N 2.89Å; S147-T151 PolarHBondContact O-OG1 2.91Å |
| 148 | V | 97.5 | Very high | 94.6 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 175.9 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | H144 L145 R150 T151 F152 I213 W215 | H144-V148 WeakPolarHBondContact O-CG2 3.48Å; H144-V148 PolarHBondContact O-N 2.9Å; L145-V148 PolarHBondContact O-N 3.29Å; V148-R150 PolarHBondContact O-N 3Å; V148-T151 PolarHBondContact O-N 3.37Å; V148-F152 WeakPolarHBondContact O-CB 3.41Å; V148-F152 PolarHBondContact O-N 2.75Å; V148-I213 HydrophobicContact CG2-CD1 4.16Å; V148-W215 HydrophobicContact CG1-CE3 4.08Å; V148-W215 HydrophobicContact CG1-CH2 3.58Å; V148-W215 HydrophobicContact CG1-CZ2 4.16Å; V148-W215 HydrophobicContact CG1-CZ3 3.53Å |
| 149 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -46.8 | 177.6 | -68.3 | 164.4 | 0 | 0 | 0 | 111.2 | L145 T151 F152 F153 L161 F163 I177 S193 W215 | L145-I149 HydrophobicContact CD1-CD1 3.53Å; L145-I149 HydrophobicContact CD1-CG1 3.92Å; L145-I149 HydrophobicContact CG-CD1 3.72Å; L145-I149 VanDerWaalsContact O-CG1 3.3Å; L145-I149 WeakPolarHBondContact O-CG1 3.3Å; L145-I149 PolarHBondContact O-N 2.92Å; I149-T151 VanDerWaalsContact C-N 3.3Å; I149-T151 PolarHBondContact O-N 3.35Å; I149-F152 PolarHBondContact O-N 3Å; I149-F153 HydrophobicContact CG2-CD2 3.56Å; I149-F153 HydrophobicContact CG2-CE2 3.79Å; I149-F153 WeakPolarHBondContact O-CD2 3.45Å; I149-F153 PolarHBondContact O-N 3.19Å; I149-L161 HydrophobicContact CG2-CD1 4.38Å; I149-F163 HydrophobicContact CB-CE1 4.16Å; I149-F163 HydrophobicContact CB-CZ 4.45Å; I149-F163 HydrophobicContact CD1-CE1 4.01Å; I149-F163 HydrophobicContact CG2-CE1 3.78Å; I149-F163 HydrophobicContact CG2-CZ 4.21Å; I149-I177 HydrophobicContact CD1-CD1 3.68Å; I149-I177 HydrophobicContact CD1-CG1 4.08Å; I149-I177 HydrophobicContact CG1-CD1 4.01Å; I149-I177 HydrophobicContact CG2-CD1 3.74Å; I149-I177 HydrophobicContact CG2-CG1 4.13Å; I149-I177 HydrophobicContact CG2-CG2 3.85Å; I149-S193 WeakPolarHBondContact CD1-OG 3.39Å; I149-W215 HydrophobicContact CG1-CB 4.27Å; I149-W215 HydrophobicContact CG1-CG 4.4Å |
| 150 | R | 96.5 | Very high | 94.1 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 55% | 0.551 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.4 | -42.2 | 176.1 | -79.2 | 172.5 | 174.6 | 170.9 | -1.1 | 112 | K146 S147 V148 S154 L161 F163 | K146-R150 WeakPolarHBondContact O-CB 3.29Å; K146-R150 VanDerWaalsContact O-CG 3.25Å; K146-R150 WeakPolarHBondContact O-CG 3.5Å; K146-R150 PolarHBondContact O-N 3.32Å; S147-R150 PolarHBondContact O-N 2.89Å; V148-R150 PolarHBondContact O-N 3Å; R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 2.97Å; R150-S154 PolarHBondContact O-OG 3.34Å; R150-L161 HydrophobicContact CB-CD1 4.49Å; R150-L161 HydrophobicContact CG-CD1 4.04Å; R150-F163 HydrophobicContact CG-CZ 4.26Å |
| 151 | T | 96.6 | Very high | 94 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 178.6 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | S147 V148 I149 S154 K155 | S147-T151 WeakPolarHBondContact O-CB 3.46Å; S147-T151 PolarHBondContact O-N 2.89Å; S147-T151 PolarHBondContact O-OG1 2.91Å; V148-T151 PolarHBondContact O-N 3.37Å; I149-T151 VanDerWaalsContact C-N 3.3Å; I149-T151 PolarHBondContact O-N 3.35Å; T151-S154 PolarHBondContact O-OG 2.93Å; T151-K155 WeakPolarHBondContact O-CG 3.38Å; T151-K155 PolarHBondContact O-N 2.66Å |
| 152 | F | 95.1 | Very high | 94 | Very high | 61 Ų | 61 | 68.2 Ų | 68.2 | 27% | 0.268 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -52.2 | 176.8 | 178.8 | -92.9 | 0 | 0 | 0 | 111 | V148 I149 K155 L156 W215 L217 | V148-F152 WeakPolarHBondContact O-CB 3.41Å; V148-F152 PolarHBondContact O-N 2.75Å; I149-F152 PolarHBondContact O-N 3Å; F152-K155 PolarHBondContact O-N 2.96Å; F152-L156 HydrophobicContact CD1-CD1 4.24Å; F152-L156 HydrophobicContact CE1-CD1 3.73Å; F152-L156 HydrophobicContact CZ-CD1 4.3Å; F152-W215 HydrophobicContact CD2-CZ2 4.09Å; F152-W215 AromaticContact CD2-NE1 3.91Å; F152-W215 AromaticContact CG-NE1 3.89Å; F152-L217 HydrophobicContact CE1-CD2 3.76Å; F152-L217 HydrophobicContact CZ-CD2 4.09Å |
| 153 | F | 92.2 | Very high | 94 | Very high | 1 Ų | 1 | 67.5 Ų | 67.5 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.8 | -28.7 | -178.2 | -79.9 | -63.1 | 0 | 0 | 0 | 113.7 | I149 K155 L156 G157 L158 L161 I177 I190 L217 | I149-F153 HydrophobicContact CG2-CD2 3.56Å; I149-F153 HydrophobicContact CG2-CE2 3.79Å; I149-F153 WeakPolarHBondContact O-CD2 3.45Å; I149-F153 PolarHBondContact O-N 3.19Å; F153-K155 VanDerWaalsContact C-N 3.27Å; F153-K155 PolarHBondContact O-N 2.84Å; F153-L156 HydrophobicContact CD1-CD1 3.87Å; F153-L156 HydrophobicContact CE1-CD1 4.13Å; F153-L156 CarbonylContact O-C 3.57Å; F153-L156 WeakPolarHBondContact O-CA 3.43Å; F153-L156 WeakPolarHBondContact O-CB 3.39Å; F153-L156 PolarHBondContact O-N 2.7Å; F153-G157 PolarHBondContact O-N 3.49Å; F153-L158 CarbonylContact C-O 3.57Å; F153-L158 HydrophobicContact CB-CB 4.1Å; F153-L158 HydrophobicContact CD1-CB 4.36Å; F153-L158 HydrophobicContact CD1-CD1 3.82Å; F153-L158 HydrophobicContact CE1-CD1 4.32Å; F153-L158 PolarHBondContact O-N 3.41Å; F153-L161 HydrophobicContact CB-CD1 3.79Å; F153-L161 HydrophobicContact CB-CD2 4.17Å; F153-L161 HydrophobicContact CD2-CD1 4.13Å; F153-L161 HydrophobicContact CD2-CD2 4.38Å; F153-L161 HydrophobicContact CG-CD1 4.32Å; F153-L161 HydrophobicContact CG-CD2 4.29Å; F153-I177 HydrophobicContact CD2-CG2 4.22Å; F153-I177 HydrophobicContact CE2-CD1 4.09Å; F153-I177 HydrophobicContact CE2-CG2 3.82Å; F153-I190 HydrophobicContact CD1-CD1 3.63Å; F153-I190 HydrophobicContact CD2-CD1 4.02Å; F153-I190 HydrophobicContact CE1-CB 4.43Å; F153-I190 HydrophobicContact CE1-CD1 3.35Å; F153-I190 HydrophobicContact CE1-CG1 4.05Å; F153-I190 HydrophobicContact CE2-CD1 3.77Å; F153-I190 HydrophobicContact CE2-CG1 4.22Å; F153-I190 HydrophobicContact CG-CD1 3.96Å; F153-I190 HydrophobicContact CZ-CB 4.37Å; F153-I190 HydrophobicContact CZ-CD1 3.42Å; F153-I190 VanDerWaalsContact CZ-CD1 3.42Å; F153-I190 HydrophobicContact CZ-CG1 3.74Å; F153-L217 HydrophobicContact CZ-CD2 4.32Å |
| 154 | S | 92 | Very high | 93.9 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 172.9 | 70 | 0 | 0 | 0 | 0 | 112.1 | R150 T151 L156 G157 | R150-S154 WeakPolarHBondContact O-CB 3.48Å; R150-S154 PolarHBondContact O-N 2.97Å; R150-S154 PolarHBondContact O-OG 3.34Å; T151-S154 PolarHBondContact O-OG 2.93Å; S154-L156 PolarHBondContact O-N 3.44Å; S154-G157 PolarHBondContact O-N 3.46Å |
| 155 | K | 90.7 | Very high | 93.9 | Very high | 174 Ų | 174 | 71.3 Ų | 71.3 | 76% | 0.757 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.1 | -21.2 | 172.1 | -71.1 | -174.1 | 176.8 | -166.9 | 0 | 113.4 | T151 F152 F153 G157 | T151-K155 WeakPolarHBondContact O-CG 3.38Å; T151-K155 PolarHBondContact O-N 2.66Å; F152-K155 PolarHBondContact O-N 2.96Å; F153-K155 VanDerWaalsContact C-N 3.27Å; F153-K155 PolarHBondContact O-N 2.84Å; K155-G157 VanDerWaalsContact C-N 3.34Å |
| 156 | L | 86.2 | Confident | 93.8 | Very high | 77 Ų | 77 | 72.7 Ų | 72.7 | 40% | 0.403 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 1.1 | 171.6 | -60.7 | 176.4 | 0 | 0 | 0 | 112.7 | F152 F153 S154 L158 C256 | F152-L156 HydrophobicContact CD1-CD1 4.24Å; F152-L156 HydrophobicContact CE1-CD1 3.73Å; F152-L156 HydrophobicContact CZ-CD1 4.3Å; F153-L156 HydrophobicContact CD1-CD1 3.87Å; F153-L156 HydrophobicContact CE1-CD1 4.13Å; F153-L156 CarbonylContact O-C 3.57Å; F153-L156 WeakPolarHBondContact O-CA 3.43Å; F153-L156 WeakPolarHBondContact O-CB 3.39Å; F153-L156 PolarHBondContact O-N 2.7Å; S154-L156 PolarHBondContact O-N 3.44Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L156-C256 PolarHBondContact O-SG 2.91Å |
| 157 | G | 85.4 | Confident | 93.7 | Very high | 27 Ų | 27 | 76.7 Ų | 76.7 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 10.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F153 S154 K155 | F153-G157 PolarHBondContact O-N 3.49Å; S154-G157 PolarHBondContact O-N 3.46Å; K155-G157 VanDerWaalsContact C-N 3.34Å |
| 158 | L | 86.2 | Confident | 93.6 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | trans | -99.3 | 98.4 | 178.9 | -62.9 | 177.7 | 0 | 0 | 0 | 110.2 | F153 L156 I190 | F153-L158 CarbonylContact C-O 3.57Å; F153-L158 HydrophobicContact CB-CB 4.1Å; F153-L158 HydrophobicContact CD1-CB 4.36Å; F153-L158 HydrophobicContact CD1-CD1 3.82Å; F153-L158 HydrophobicContact CE1-CD1 4.32Å; F153-L158 PolarHBondContact O-N 3.41Å; L156-L158 VanDerWaalsContact C-N 3.33Å; L158-I190 HydrophobicContact CD1-CD1 4.22Å | ||
| 159 | T | 89.1 | Confident | 93.5 | Very high | 113 Ų | 113 | 72.8 Ų | 72.8 | 69% | 0.693 | 36% | 0.363 | S | S | * | . | trans | -99.3 | -28.1 | -174.5 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | L161 | T159-L161 PolarHBondContact O-N 2.82Š| ||
| 160 | Q | 92.3 | Very high | 93.5 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | trans | -86.1 | 88.3 | -179.5 | -63.9 | -169.7 | 7.9 | 0 | 0 | 110.5 | S179 Y180 W187 | Q160-S179 VanDerWaalsContact O-CA 3.27Å; Q160-S179 WeakPolarHBondContact O-CA 3.43Å; Q160-S179 PolarHBondContact O-OG 2.74Å; Q160-Y180 PolarHBondContact O-N 2.84Å; Q160-Y180 VanDerWaalsContact OE1-CB 3.23Å; Q160-W187 HydrophobicContact CB-CH2 4.26Å; Q160-W187 WeakPolarHBondContact O-CZ3 3.46Å | ||
| 161 | L | 95 | Very high | 93.5 | Very high | 24 Ų | 24 | 68 Ų | 68 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.3 | -179.2 | -57.8 | 178.9 | 0 | 0 | 0 | 112.7 | I149 R150 F153 T159 I177 F178 I190 | I149-L161 HydrophobicContact CG2-CD1 4.38Å; R150-L161 HydrophobicContact CB-CD1 4.49Å; R150-L161 HydrophobicContact CG-CD1 4.04Å; F153-L161 HydrophobicContact CB-CD1 3.79Å; F153-L161 HydrophobicContact CB-CD2 4.17Å; F153-L161 HydrophobicContact CD2-CD1 4.13Å; F153-L161 HydrophobicContact CD2-CD2 4.38Å; F153-L161 HydrophobicContact CG-CD1 4.32Å; F153-L161 HydrophobicContact CG-CD2 4.29Å; T159-L161 PolarHBondContact O-N 2.82Å; L161-I177 HydrophobicContact CD2-CG2 4.47Å; L161-F178 CarbonylContact C-O 3.4Å; L161-F178 VanDerWaalsContact CA-O 3.31Å; L161-F178 WeakPolarHBondContact CA-O 3.43Å; L161-I190 HydrophobicContact CD2-CD1 3.83Å |
| 162 | R | 95.9 | Very high | 93.4 | Very high | 150 Ų | 150 | 69.6 Ų | 69.6 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.1 | 166.7 | -78.1 | -178.7 | -177.4 | -175.6 | 1.4 | 109.9 | F178 W187 | R162-F178 HydrophobicContact CB-CB 4.32Å; R162-F178 PolarHBondContact N-O 3.07Å; R162-F178 PolarHBondContact O-N 2.82Å; R162-W187 HydrophobicContact CB-CE3 4Å; R162-W187 HydrophobicContact CB-CH2 4.34Å; R162-W187 HydrophobicContact CB-CZ3 3.81Å; R162-W187 HydrophobicContact CG-CD2 4.42Å; R162-W187 HydrophobicContact CG-CE3 4Å; R162-W187 HydrophobicContact CG-CH2 3.54Å; R162-W187 HydrophobicContact CG-CZ2 3.99Å; R162-W187 HydrophobicContact CG-CZ3 3.53Å; R162-W187 VanDerWaalsContact CZ-CZ2 3.49Å |
| 163 | F | 97.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 69.3 Ų | 69.3 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.3 | 178.4 | -56.8 | -79.2 | 0 | 0 | 0 | 108.6 | K146 I149 R150 M175 E176 I177 | K146-F163 HydrophobicContact CB-CE2 4.07Å; K146-F163 HydrophobicContact CB-CZ 3.97Å; K146-F163 HydrophobicContact CD-CD2 4.01Å; K146-F163 HydrophobicContact CD-CE2 4.13Å; K146-F163 HydrophobicContact CD-CG 4.44Å; K146-F163 HydrophobicContact CG-CD1 4.33Å; K146-F163 HydrophobicContact CG-CD2 4.03Å; K146-F163 HydrophobicContact CG-CE1 4.14Å; K146-F163 HydrophobicContact CG-CE2 3.85Å; K146-F163 HydrophobicContact CG-CG 4.26Å; K146-F163 HydrophobicContact CG-CZ 3.89Å; I149-F163 HydrophobicContact CB-CE1 4.16Å; I149-F163 HydrophobicContact CB-CZ 4.45Å; I149-F163 HydrophobicContact CD1-CE1 4.01Å; I149-F163 HydrophobicContact CG2-CE1 3.78Å; I149-F163 HydrophobicContact CG2-CZ 4.21Å; R150-F163 HydrophobicContact CG-CZ 4.26Å; F163-M175 HydrophobicContact CB-SD 3.87Å; F163-M175 HydrophobicContact CD1-CG 4.16Å; F163-M175 HydrophobicContact CD1-SD 3.31Å; F163-M175 WeakPolarHBondContact CD1-SD 3.49Å; F163-M175 HydrophobicContact CE1-SD 3.99Å; F163-M175 HydrophobicContact CG-SD 3.76Å; F163-E176 WeakPolarHBondContact CA-O 3.14Å; F163-I177 HydrophobicContact CD1-CG1 4.39Å; F163-I177 HydrophobicContact CE1-CG1 4.42Å; F163-I177 HydrophobicContact CE1-CG2 4.39Å |
| 164 | K | 97.2 | Very high | 93.8 | Very high | 105 Ų | 105 | 69.6 Ų | 69.6 | 46% | 0.457 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.4 | 177.2 | 177.2 | -177.2 | 153 | -134.1 | 0 | 108.3 | A166 M175 E176 F178 | K164-A166 PolarHBondContact O-N 2.89Å; K164-M175 CarbonylContact O-C 3.49Å; K164-M175 WeakPolarHBondContact O-CA 3.32Å; K164-M175 WeakPolarHBondContact O-CB 2.99Å; K164-E176 HydrophobicContact CB-CB 4.39Å; K164-E176 WeakPolarHBondContact CD-OE2 3.31Å; K164-E176 WeakPolarHBondContact CE-OE2 3.43Å; K164-E176 PolarHBondContact N-O 3.36Å; K164-E176 IonicContact NZ-OE1 2.63Å; K164-E176 IonicContact NZ-OE2 3.5Å; K164-E176 PolarHBondContact NZ-OE2 3.36Å; K164-E176 PolarHBondContact O-N 2.89Å; K164-F178 HydrophobicContact CB-CD2 4.14Å; K164-F178 HydrophobicContact CB-CE2 3.77Å; K164-F178 HydrophobicContact CD-CE2 3.93Å; K164-F178 HydrophobicContact CD-CZ 4.22Å; K164-F178 HydrophobicContact CG-CE2 4.49Å |
| 165 | P | 97.6 | Very high | 94.1 | Very high | 112 Ų | 112 | 67.1 Ų | 67.1 | 73% | 0.727 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 137.6 | 172.3 | -25 | 34.7 | 0 | 0 | 0 | 111.2 | ||
| 166 | A | 95.7 | Very high | 94.4 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | -179 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K164 S174 E176 | K164-A166 PolarHBondContact O-N 2.89Å; A166-S174 PolarHBondContact N-O 3.18Å; A166-S174 VanDerWaalsContact N-O 3.09Å; A166-S174 WeakPolarHBondContact O-CB 3.4Å; A166-E176 HydrophobicContact CB-CB 4.48Å; A166-E176 HydrophobicContact CB-CG 3.8Å |
| 167 | Y | 95.3 | Very high | 94.8 | Very high | 151 Ų | 151 | 57 Ų | 57 | 59% | 0.592 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.5 | 173.5 | 170.6 | -97.2 | 0 | 0 | 0 | 108.9 | P169 | Y167-P169 HydrophobicContact CE1-CG 4.11Å |
| 168 | N | 95.5 | Very high | 95.3 | Very high | 17 Ų | 17 | 57.7 Ų | 57.7 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.6 | 160.2 | -45.8 | -59.1 | 0 | 0 | 0 | 107.9 | Y170 T171 S174 N192 | N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 4.08Å; N168-Y170 PolarHBondContact O-N 3.29Å; N168-Y170 VanDerWaalsContact O-N 3.13Å; N168-T171 WeakPolarHBondContact CB-OG1 3.1Å; N168-T171 PolarHBondContact ND2-OG1 3.4Å; N168-T171 PolarHBondContact O-N 3.21Å; N168-T171 VanDerWaalsContact O-O 3.06Å; N168-S174 PolarHBondContact N-OG 2.84Å; N168-N192 PolarHBondContact ND2-OD1 3.41Å; N168-N192 PolarHBondContact OD1-ND2 3.01Å; N168-N192 VanDerWaalsContact OD1-ND2 3.07Å; N168-N192 PolarHBondContact OD1-OD1 2.74Å |
| 169 | P | 94.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -35.2 | -177.8 | -26.4 | 34.4 | 0 | 0 | 0 | 113.8 | Q19 Y167 R197 | Q19-P169 HydrophobicContact CB-CB 4.19Å; Q19-P169 HydrophobicContact CG-CB 4.13Å; Q19-P169 HydrophobicContact CG-CG 4.16Å; Y167-P169 HydrophobicContact CE1-CG 4.11Å; P169-R197 WeakPolarHBondContact O-CD 3.39Å |
| 170 | Y | 96.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3 | -173.8 | 46 | -98.7 | 0 | 0 | 0 | 114.3 | L17 T87 N168 F196 R197 | L17-Y170 HydrophobicContact CB-CD1 4.22Å; L17-Y170 HydrophobicContact CB-CG 4.34Å; L17-Y170 HydrophobicContact CD1-CD1 4.28Å; L17-Y170 WeakPolarHBondContact O-CA 3.48Å; L17-Y170 WeakPolarHBondContact O-CB 3.22Å; T87-Y170 HydrophobicContact CG2-CD2 4.29Å; T87-Y170 HydrophobicContact CG2-CE2 4.1Å; N168-Y170 HydrophobicContact CB-CD2 4.4Å; N168-Y170 HydrophobicContact CB-CE2 4.08Å; N168-Y170 PolarHBondContact O-N 3.29Å; N168-Y170 VanDerWaalsContact O-N 3.13Å; Y170-F196 HydrophobicContact CD2-CD1 4.09Å; Y170-F196 AromaticContact CD2-CE1 3.8Å; Y170-F196 HydrophobicContact CD2-CE1 3.8Å; Y170-F196 HydrophobicContact CE2-CE1 4.39Å; Y170-F196 WeakPolarHBondContact O-CA 3.19Å; Y170-R197 PolarHBondContact O-N 3.16Å |
| 171 | T | 97.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.2 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | N168 S174 L195 F196 | N168-T171 WeakPolarHBondContact CB-OG1 3.1Å; N168-T171 PolarHBondContact ND2-OG1 3.4Å; N168-T171 PolarHBondContact O-N 3.21Å; N168-T171 VanDerWaalsContact O-O 3.06Å; T171-S174 WeakPolarHBondContact CB-OG 3.42Å; T171-S174 PolarHBondContact O-OG 3.12Å; T171-S174 PolarHBondContact OG1-OG 3.32Å; T171-L195 CarbonylContact C-O 3.49Å; T171-L195 WeakPolarHBondContact CA-O 3.17Å; T171-L195 VanDerWaalsContact CB-O 3.22Å; T171-L195 WeakPolarHBondContact CB-O 3.45Å; T171-F196 HydrophobicContact CG2-CD1 3.7Å; T171-F196 HydrophobicContact CG2-CE1 4.15Å |
| 172 | E | 95.5 | Very high | 94.8 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 117.4 | 171.5 | -171.5 | 68.7 | 180 | 0 | 0 | 110.2 | L195 R197 | E172-L195 PolarHBondContact N-O 2.94Å; E172-R197 HydrophobicContact CB-CG 3.92Å |
| 173 | P | 97.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -72.8 | 161.3 | -6.4 | 33.5 | -39.8 | 0 | 0 | 0 | 113 | L142 G194 L195 | L142-P173 HydrophobicContact CD1-CB 4.33Å; L142-P173 HydrophobicContact CD1-CG 3.47Å; L142-P173 VanDerWaalsContact CD1-CG 3.47Å; L142-P173 HydrophobicContact CD2-CG 4.45Å; L142-P173 HydrophobicContact CG-CG 4.45Å; P173-G194 VanDerWaalsContact O-CA 3.26Å; P173-G194 WeakPolarHBondContact O-CA 3.43Å; P173-L195 HydrophobicContact CG-CD1 4.27Å; P173-L195 PolarHBondContact O-N 2.87Å |
| 174 | S | 97.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150 | 175.4 | -49.9 | 0 | 0 | 0 | 0 | 111.8 | A166 N168 T171 S193 | A166-S174 PolarHBondContact N-O 3.18Å; A166-S174 VanDerWaalsContact N-O 3.09Å; A166-S174 WeakPolarHBondContact O-CB 3.4Å; N168-S174 PolarHBondContact N-OG 2.84Å; T171-S174 WeakPolarHBondContact CB-OG 3.42Å; T171-S174 PolarHBondContact O-OG 3.12Å; T171-S174 PolarHBondContact OG1-OG 3.32Å; S174-S193 CarbonylContact C-O 3.53Å; S174-S193 WeakPolarHBondContact CA-O 3.12Å |
| 175 | M | 97.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 137.7 | 174.2 | 74.6 | -174.2 | 84.1 | 0 | 0 | 113.3 | L142 L145 K146 F163 K164 S193 | L142-M175 HydrophobicContact CD1-CE 3Å; L142-M175 HydrophobicContact CD2-CE 4.2Å; L142-M175 HydrophobicContact CG-CE 3.53Å; L145-M175 HydrophobicContact CD2-CE 3.83Å; L145-M175 HydrophobicContact CG-CE 4.23Å; K146-M175 HydrophobicContact CG-CE 4.09Å; K146-M175 HydrophobicContact CG-SD 3.86Å; F163-M175 HydrophobicContact CB-SD 3.87Å; F163-M175 HydrophobicContact CD1-CG 4.16Å; F163-M175 HydrophobicContact CD1-SD 3.31Å; F163-M175 WeakPolarHBondContact CD1-SD 3.49Å; F163-M175 HydrophobicContact CE1-SD 3.99Å; F163-M175 HydrophobicContact CG-SD 3.76Å; K164-M175 CarbonylContact O-C 3.49Å; K164-M175 WeakPolarHBondContact O-CA 3.32Å; K164-M175 WeakPolarHBondContact O-CB 2.99Å; M175-S193 WeakPolarHBondContact CG-OG 3.5Å; M175-S193 PolarHBondContact N-O 3.07Å; M175-S193 PolarHBondContact O-N 2.73Å; M175-S193 PolarHBondContact O-OG 2.72Å |
| 176 | E | 97.1 | Very high | 92.9 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 148.1 | 163.4 | -75.9 | 163.9 | -179.4 | 0 | 0 | 110.5 | F163 K164 A166 F178 | F163-E176 WeakPolarHBondContact CA-O 3.14Å; K164-E176 HydrophobicContact CB-CB 4.39Å; K164-E176 WeakPolarHBondContact CD-OE2 3.31Å; K164-E176 WeakPolarHBondContact CE-OE2 3.43Å; K164-E176 PolarHBondContact N-O 3.36Å; K164-E176 IonicContact NZ-OE1 2.63Å; K164-E176 IonicContact NZ-OE2 3.5Å; K164-E176 PolarHBondContact NZ-OE2 3.36Å; K164-E176 PolarHBondContact O-N 2.89Å; A166-E176 HydrophobicContact CB-CB 4.48Å; A166-E176 HydrophobicContact CB-CG 3.8Å; E176-F178 HydrophobicContact CB-CD2 4.19Å; E176-F178 HydrophobicContact CB-CE2 3.55Å; E176-F178 HydrophobicContact CB-CZ 4.41Å; E176-F178 HydrophobicContact CG-CE2 4.45Å; E176-F178 WeakPolarHBondContact OE2-CE2 3.35Å |
| 177 | I | 95.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 120.8 | -178.3 | -50.3 | 161.2 | 0 | 0 | 0 | 107.7 | I149 F153 L161 F163 I190 G191 | I149-I177 HydrophobicContact CD1-CD1 3.68Å; I149-I177 HydrophobicContact CD1-CG1 4.08Å; I149-I177 HydrophobicContact CG1-CD1 4.01Å; I149-I177 HydrophobicContact CG2-CD1 3.74Å; I149-I177 HydrophobicContact CG2-CG1 4.13Å; I149-I177 HydrophobicContact CG2-CG2 3.85Å; F153-I177 HydrophobicContact CD2-CG2 4.22Å; F153-I177 HydrophobicContact CE2-CD1 4.09Å; F153-I177 HydrophobicContact CE2-CG2 3.82Å; L161-I177 HydrophobicContact CD2-CG2 4.47Å; F163-I177 HydrophobicContact CD1-CG1 4.39Å; F163-I177 HydrophobicContact CE1-CG1 4.42Å; F163-I177 HydrophobicContact CE1-CG2 4.39Å; I177-I190 HydrophobicContact CB-CG1 4.19Å; I177-I190 HydrophobicContact CG2-CD1 4.03Å; I177-I190 HydrophobicContact CG2-CG1 3.84Å; I177-I190 WeakPolarHBondContact O-CG1 3.14Å; I177-I190 PolarHBondContact O-N 2.86Å; I177-G191 PolarHBondContact N-O 3.34Å; I177-G191 PolarHBondContact O-N 3.24Å |
| 178 | F | 94.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 18% | 0.18 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.7 | 177.9 | -71.6 | -99.7 | 0 | 0 | 0 | 110.4 | L161 R162 K164 E176 W187 V188 E189 | L161-F178 CarbonylContact C-O 3.4Å; L161-F178 VanDerWaalsContact CA-O 3.31Å; L161-F178 WeakPolarHBondContact CA-O 3.43Å; R162-F178 HydrophobicContact CB-CB 4.32Å; R162-F178 PolarHBondContact N-O 3.07Å; R162-F178 PolarHBondContact O-N 2.82Å; K164-F178 HydrophobicContact CB-CD2 4.14Å; K164-F178 HydrophobicContact CB-CE2 3.77Å; K164-F178 HydrophobicContact CD-CE2 3.93Å; K164-F178 HydrophobicContact CD-CZ 4.22Å; K164-F178 HydrophobicContact CG-CE2 4.49Å; E176-F178 HydrophobicContact CB-CD2 4.19Å; E176-F178 HydrophobicContact CB-CE2 3.55Å; E176-F178 HydrophobicContact CB-CZ 4.41Å; E176-F178 HydrophobicContact CG-CE2 4.45Å; E176-F178 WeakPolarHBondContact OE2-CE2 3.35Å; F178-W187 HydrophobicContact CB-CB 4.48Å; F178-W187 HydrophobicContact CB-CE3 4.04Å; F178-W187 HydrophobicContact CD1-CB 4.28Å; F178-V188 CarbonylContact C-O 3.56Å; F178-V188 VanDerWaalsContact CA-O 3.29Å; F178-V188 WeakPolarHBondContact CA-O 3.32Å; F178-E189 HydrophobicContact CD1-CB 4.21Å; F178-E189 HydrophobicContact CE1-CB 3.81Å; F178-E189 HydrophobicContact CZ-CB 4.08Å; F178-E189 HydrophobicContact CZ-CG 4.32Å |
| 179 | S | 92.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 55 Ų | 55 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.9 | 166.3 | 175 | 0 | 0 | 0 | 0 | 111.3 | Q160 V188 | Q160-S179 VanDerWaalsContact O-CA 3.27Å; Q160-S179 WeakPolarHBondContact O-CA 3.43Å; Q160-S179 PolarHBondContact O-OG 2.74Å; S179-V188 PolarHBondContact N-O 3.16Å; S179-V188 PolarHBondContact O-N 2.71Å |
| 180 | Y | 90.6 | Very high | 92.1 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124.9 | 174.6 | -172.6 | -103 | 0 | 0 | 0 | 109.9 | Q160 P182 K185 W187 | Q160-Y180 PolarHBondContact O-N 2.84Å; Q160-Y180 VanDerWaalsContact OE1-CB 3.23Å; Y180-P182 WeakPolarHBondContact O-CD 3.46Å; Y180-K185 WeakPolarHBondContact OH-CA 3.4Å; Y180-W187 HydrophobicContact CD2-CD2 4.23Å; Y180-W187 AromaticContact CD2-CE2 3.9Å; Y180-W187 HydrophobicContact CD2-CG 4.32Å; Y180-W187 HydrophobicContact CD2-CZ2 4.34Å; Y180-W187 AromaticContact CD2-NE1 3.81Å |
| 181 | H | 86.1 | Confident | 92 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 111.8 | 176.3 | -173.7 | -48.9 | 0 | 0 | 0 | 109.7 | G183 L184 K185 K186 V188 | H181-G183 PolarHBondContact ND1-N 3.37Å; H181-G183 PolarHBondContact O-N 2.83Å; H181-L184 HydrophobicContact CB-CB 4.24Å; H181-L184 PolarHBondContact ND1-N 2.63Å; H181-L184 VanDerWaalsContact ND1-N 3.12Å; H181-L184 PolarHBondContact O-N 3.3Å; H181-K185 PolarHBondContact O-N 3.21Å; H181-K186 PolarHBondContact N-O 3.45Å; H181-V188 HydrophobicContact CB-CG2 3.95Å |
| 182 | P | 83.8 | Confident | 92 | Very high | 100 Ų | 100 | 55.3 Ų | 55.3 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -43.3 | -176.8 | -25.7 | 35.1 | 0 | 0 | 0 | 113.6 | Y180 K185 | Y180-P182 WeakPolarHBondContact O-CD 3.46Å; P182-K185 WeakPolarHBondContact O-CG 3.36Å; P182-K185 PolarHBondContact O-N 2.92Å |
| 183 | G | 81.3 | Confident | 92.1 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 68% | 0.68 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H181 | H181-G183 PolarHBondContact ND1-N 3.37Å; H181-G183 PolarHBondContact O-N 2.83Å |
| 184 | L | 83.4 | Confident | 92.2 | Very high | 98 Ų | 98 | 47.9 Ų | 47.9 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.3 | 178.8 | -61.7 | 175.2 | 0 | 0 | 0 | 113.3 | H181 K186 V188 | H181-L184 HydrophobicContact CB-CB 4.24Å; H181-L184 PolarHBondContact ND1-N 2.63Å; H181-L184 VanDerWaalsContact ND1-N 3.12Å; H181-L184 PolarHBondContact O-N 3.3Å; L184-K186 HydrophobicContact CB-CD 4.23Å; L184-K186 HydrophobicContact CB-CG 3.84Å; L184-K186 PolarHBondContact O-N 3.16Å; L184-K186 VanDerWaalsContact O-N 3.14Å; L184-V188 HydrophobicContact CD1-CG2 4.44Å |
| 185 | K | 89.3 | Confident | 92.2 | Very high | 166 Ų | 166 | 48.5 Ų | 48.5 | 72% | 0.722 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 37.2 | -175.8 | -60.8 | -177.6 | 179.1 | 179 | 0 | 114 | Y180 H181 P182 | Y180-K185 WeakPolarHBondContact OH-CA 3.4Å; H181-K185 PolarHBondContact O-N 3.21Å; P182-K185 WeakPolarHBondContact O-CG 3.36Å; P182-K185 PolarHBondContact O-N 2.92Å |
| 186 | K | 92.3 | Very high | 92.3 | Very high | 117 Ų | 117 | 48.7 Ų | 48.7 | 51% | 0.509 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 159.3 | -178.1 | 71.6 | -176.2 | -177.1 | 175.5 | 0 | 112 | H181 L184 V188 | H181-K186 PolarHBondContact N-O 3.45Å; L184-K186 HydrophobicContact CB-CD 4.23Å; L184-K186 HydrophobicContact CB-CG 3.84Å; L184-K186 PolarHBondContact O-N 3.16Å; L184-K186 VanDerWaalsContact O-N 3.14Å; K186-V188 HydrophobicContact CG-CG2 4.04Å |
| 187 | W | 92.6 | Very high | 92.3 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130 | 169.9 | -67.8 | 89.7 | 0 | 0 | 0 | 109.7 | Q160 R162 F178 Y180 | Q160-W187 HydrophobicContact CB-CH2 4.26Å; Q160-W187 WeakPolarHBondContact O-CZ3 3.46Å; R162-W187 HydrophobicContact CB-CE3 4Å; R162-W187 HydrophobicContact CB-CH2 4.34Å; R162-W187 HydrophobicContact CB-CZ3 3.81Å; R162-W187 HydrophobicContact CG-CD2 4.42Å; R162-W187 HydrophobicContact CG-CE3 4Å; R162-W187 HydrophobicContact CG-CH2 3.54Å; R162-W187 HydrophobicContact CG-CZ2 3.99Å; R162-W187 HydrophobicContact CG-CZ3 3.53Å; R162-W187 VanDerWaalsContact CZ-CZ2 3.49Å; F178-W187 HydrophobicContact CB-CB 4.48Å; F178-W187 HydrophobicContact CB-CE3 4.04Å; F178-W187 HydrophobicContact CD1-CB 4.28Å; Y180-W187 HydrophobicContact CD2-CD2 4.23Å; Y180-W187 AromaticContact CD2-CE2 3.9Å; Y180-W187 HydrophobicContact CD2-CG 4.32Å; Y180-W187 HydrophobicContact CD2-CZ2 4.34Å; Y180-W187 AromaticContact CD2-NE1 3.81Å |
| 188 | V | 90.2 | Very high | 92.3 | Very high | 28 Ų | 28 | 52.6 Ų | 52.6 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.9 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | F178 S179 H181 L184 K186 I190 I225 | F178-V188 CarbonylContact C-O 3.56Å; F178-V188 VanDerWaalsContact CA-O 3.29Å; F178-V188 WeakPolarHBondContact CA-O 3.32Å; S179-V188 PolarHBondContact N-O 3.16Å; S179-V188 PolarHBondContact O-N 2.71Å; H181-V188 HydrophobicContact CB-CG2 3.95Å; L184-V188 HydrophobicContact CD1-CG2 4.44Å; K186-V188 HydrophobicContact CG-CG2 4.04Å; V188-I190 PolarHBondContact O-N 3.07Å; V188-I225 HydrophobicContact CG1-CD1 4.17Å |
| 189 | E | 92.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 125.8 | 173.9 | -170.4 | -155.5 | 144.6 | 0 | 0 | 109.9 | F178 R221 | F178-E189 HydrophobicContact CD1-CB 4.21Å; F178-E189 HydrophobicContact CE1-CB 3.81Å; F178-E189 HydrophobicContact CZ-CB 4.08Å; F178-E189 HydrophobicContact CZ-CG 4.32Å; E189-R221 WeakPolarHBondContact O-CD 3.5Å; E189-R221 IonicContact OE1-NH1 2.86Å; E189-R221 IonicContact OE2-NH1 3.75Å |
| 190 | I | 91.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -4 | -177.5 | 63.3 | 171.4 | 0 | 0 | 0 | 113.3 | F153 L158 L161 I177 V188 L217 | F153-I190 HydrophobicContact CD1-CD1 3.63Å; F153-I190 HydrophobicContact CD2-CD1 4.02Å; F153-I190 HydrophobicContact CE1-CB 4.43Å; F153-I190 HydrophobicContact CE1-CD1 3.35Å; F153-I190 HydrophobicContact CE1-CG1 4.05Å; F153-I190 HydrophobicContact CE2-CD1 3.77Å; F153-I190 HydrophobicContact CE2-CG1 4.22Å; F153-I190 HydrophobicContact CG-CD1 3.96Å; F153-I190 HydrophobicContact CZ-CB 4.37Å; F153-I190 HydrophobicContact CZ-CD1 3.42Å; F153-I190 VanDerWaalsContact CZ-CD1 3.42Å; F153-I190 HydrophobicContact CZ-CG1 3.74Å; L158-I190 HydrophobicContact CD1-CD1 4.22Å; L161-I190 HydrophobicContact CD2-CD1 3.83Å; I177-I190 HydrophobicContact CB-CG1 4.19Å; I177-I190 HydrophobicContact CG2-CD1 4.03Å; I177-I190 HydrophobicContact CG2-CG1 3.84Å; I177-I190 WeakPolarHBondContact O-CG1 3.14Å; I177-I190 PolarHBondContact O-N 2.86Å; V188-I190 PolarHBondContact O-N 3.07Å; I190-L217 WeakPolarHBondContact O-CB 3.44Å |
| 191 | G | 94.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | 173.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I177 G216 | I177-G191 PolarHBondContact N-O 3.34Å; I177-G191 PolarHBondContact O-N 3.24Å; G191-G216 CarbonylContact C-O 3.54Å; G191-G216 VanDerWaalsContact CA-O 3.24Å; G191-G216 WeakPolarHBondContact CA-O 3.49Å |
| 192 | N | 96.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.1 | 177.3 | -169.7 | -36.3 | 0 | 0 | 0 | 108.7 | N168 W215 G216 | N168-N192 PolarHBondContact ND2-OD1 3.41Å; N168-N192 PolarHBondContact OD1-ND2 3.01Å; N168-N192 VanDerWaalsContact OD1-ND2 3.07Å; N168-N192 PolarHBondContact OD1-OD1 2.74Å; N192-W215 CarbonylContact O-C 3.54Å; N192-W215 WeakPolarHBondContact O-CA 2.99Å; N192-G216 PolarHBondContact N-O 2.88Å; N192-G216 PolarHBondContact O-N 2.86Å |
| 193 | S | 98.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 166 | -175.2 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | I149 S174 M175 A214 | I149-S193 WeakPolarHBondContact CD1-OG 3.39Å; S174-S193 CarbonylContact C-O 3.53Å; S174-S193 WeakPolarHBondContact CA-O 3.12Å; M175-S193 WeakPolarHBondContact CG-OG 3.5Å; M175-S193 PolarHBondContact N-O 3.07Å; M175-S193 PolarHBondContact O-N 2.73Å; M175-S193 PolarHBondContact O-OG 2.72Å; S193-A214 CarbonylContact C-O 3.53Å; S193-A214 VanDerWaalsContact CA-O 3.26Å; S193-A214 WeakPolarHBondContact CA-O 3.47Å; S193-A214 VanDerWaalsContact CB-O 3.23Å; S193-A214 WeakPolarHBondContact CB-O 3.41Å |
| 194 | G | 98.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -178.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P173 A214 | P173-G194 VanDerWaalsContact O-CA 3.26Å; P173-G194 WeakPolarHBondContact O-CA 3.43Å; G194-A214 PolarHBondContact N-O 2.9Å; G194-A214 PolarHBondContact O-N 2.87Å |
| 195 | L | 98.2 | Very high | 95.3 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124 | 171.9 | -81.3 | 71.5 | 0 | 0 | 0 | 108.4 | L142 L145 T171 E172 P173 R197 V212 I213 | L142-L195 HydrophobicContact CD1-CD1 3.85Å; L145-L195 HydrophobicContact CB-CD1 4.46Å; L145-L195 HydrophobicContact CD2-CD1 3.85Å; T171-L195 CarbonylContact C-O 3.49Å; T171-L195 WeakPolarHBondContact CA-O 3.17Å; T171-L195 VanDerWaalsContact CB-O 3.22Å; T171-L195 WeakPolarHBondContact CB-O 3.45Å; E172-L195 PolarHBondContact N-O 2.94Å; P173-L195 HydrophobicContact CG-CD1 4.27Å; P173-L195 PolarHBondContact O-N 2.87Å; L195-R197 PolarHBondContact O-N 2.87Å; L195-V212 CarbonylContact C-O 3.35Å; L195-V212 WeakPolarHBondContact CA-O 3.47Å; L195-I213 HydrophobicContact CD1-CG2 3.99Å; L195-I213 HydrophobicContact CD2-CG2 4.49Å; L195-I213 HydrophobicContact CG-CG2 3.81Å |
| 196 | F | 98.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.044 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 136.4 | 179.1 | -71.6 | -43.7 | 0 | 0 | 0 | 111.1 | T87 L94 L134 Y170 T171 M200 L201 V212 A214 | T87-F196 HydrophobicContact CG2-CE1 3.93Å; T87-F196 HydrophobicContact CG2-CZ 3.98Å; L94-F196 HydrophobicContact CD1-CD2 3.79Å; L94-F196 HydrophobicContact CD1-CE2 3.79Å; L134-F196 HydrophobicContact CD2-CE2 4.3Å; Y170-F196 HydrophobicContact CD2-CD1 4.09Å; Y170-F196 AromaticContact CD2-CE1 3.8Å; Y170-F196 HydrophobicContact CD2-CE1 3.8Å; Y170-F196 HydrophobicContact CE2-CE1 4.39Å; Y170-F196 WeakPolarHBondContact O-CA 3.19Å; T171-F196 HydrophobicContact CG2-CD1 3.7Å; T171-F196 HydrophobicContact CG2-CE1 4.15Å; F196-M200 HydrophobicContact CB-SD 3.91Å; F196-M200 HydrophobicContact CD1-CE 3.97Å; F196-M200 HydrophobicContact CD1-SD 3.52Å; F196-M200 VanDerWaalsContact CD1-SD 3.52Å; F196-M200 HydrophobicContact CD2-CE 3.9Å; F196-M200 HydrophobicContact CD2-SD 4.27Å; F196-M200 HydrophobicContact CE1-CE 4.09Å; F196-M200 HydrophobicContact CE1-SD 4.08Å; F196-M200 HydrophobicContact CE2-CE 4.04Å; F196-M200 HydrophobicContact CG-CE 3.92Å; F196-M200 HydrophobicContact CG-SD 3.66Å; F196-M200 HydrophobicContact CZ-CE 4.13Å; F196-L201 HydrophobicContact CB-CD1 4.03Å; F196-L201 HydrophobicContact CB-CD2 3.92Å; F196-L201 HydrophobicContact CB-CG 3.97Å; F196-L201 HydrophobicContact CD2-CD2 4.31Å; F196-V212 HydrophobicContact CB-CB 4.33Å; F196-V212 HydrophobicContact CD2-CB 3.73Å; F196-V212 HydrophobicContact CD2-CG1 3.44Å; F196-V212 VanDerWaalsContact CD2-CG1 3.44Å; F196-V212 HydrophobicContact CE2-CG1 3.83Å; F196-V212 HydrophobicContact CG-CB 4.49Å; F196-V212 PolarHBondContact N-O 2.92Å; F196-A214 HydrophobicContact CE1-CB 4.13Å; F196-A214 HydrophobicContact CE2-CB 3.78Å; F196-A214 HydrophobicContact CZ-CB 3.55Å |
| 197 | R | 97.5 | Very high | 95.7 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 22% | 0.219 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 144.6 | -177.1 | -75.4 | -167.2 | 74.1 | 98.6 | 1 | 111.9 | P169 Y170 E172 L195 E199 M200 L201 | P169-R197 WeakPolarHBondContact O-CD 3.39Å; Y170-R197 PolarHBondContact O-N 3.16Å; E172-R197 HydrophobicContact CB-CG 3.92Å; L195-R197 PolarHBondContact O-N 2.87Å; R197-E199 WeakPolarHBondContact CB-OE2 3.17Å; R197-E199 IonicContact CZ-OE1 3.77Å; R197-E199 IonicContact CZ-OE2 3.55Å; R197-E199 IonicContact NE-OE1 3.73Å; R197-E199 PolarHBondContact NE-OE1 3.1Å; R197-E199 IonicContact NE-OE2 2.83Å; R197-E199 PolarHBondContact NE-OE2 2.9Å; R197-E199 IonicContact NH2-OE1 3.71Å; R197-E199 PolarHBondContact NH2-OE1 2.85Å; R197-E199 IonicContact NH2-OE2 2.75Å; R197-E199 PolarHBondContact O-N 2.82Å; R197-M200 WeakPolarHBondContact O-CB 3.37Å; R197-M200 PolarHBondContact O-N 2.91Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.14Å |
| 198 | P | 96.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 41% | 0.409 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -54.9 | -35.2 | 171.6 | -25.5 | 34.7 | 0 | 0 | 0 | 112.8 | M200 L201 R202 | P198-M200 PolarHBondContact O-N 3.38Å; P198-L201 PolarHBondContact O-N 2.94Å; P198-R202 HydrophobicContact CB-CG 4.27Å; P198-R202 WeakPolarHBondContact O-CB 3.11Å; P198-R202 VanDerWaalsContact O-CG 3.29Å; P198-R202 WeakPolarHBondContact O-CG 3.24Å; P198-R202 PolarHBondContact O-N 3.11Å |
| 199 | E | 97 | Very high | 95.7 | Very high | 14 Ų | 14 | 31.8 Ų | 31.8 | 7% | 0.065 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.7 | -23.7 | 178.1 | -60 | 96.6 | 143.2 | 0 | 0 | 113.5 | F18 V57 S65 R197 P203 | F18-E199 HydrophobicContact CB-CB 4.3Å; F18-E199 HydrophobicContact CD1-CB 3.6Å; F18-E199 HydrophobicContact CD1-CG 4.27Å; F18-E199 HydrophobicContact CD2-CB 3.59Å; F18-E199 HydrophobicContact CE1-CB 3.66Å; F18-E199 HydrophobicContact CE1-CG 3.82Å; F18-E199 HydrophobicContact CE2-CB 3.67Å; F18-E199 HydrophobicContact CE2-CG 4.11Å; F18-E199 HydrophobicContact CG-CB 3.55Å; F18-E199 HydrophobicContact CZ-CB 3.69Å; F18-E199 HydrophobicContact CZ-CG 3.73Å; V57-E199 HydrophobicContact CG1-CB 3.73Å; V57-E199 HydrophobicContact CG1-CG 4.1Å; S65-E199 WeakPolarHBondContact CB-OE1 3.33Å; S65-E199 WeakPolarHBondContact OG-CG 3.26Å; S65-E199 PolarHBondContact OG-OE1 3.47Å; R197-E199 WeakPolarHBondContact CB-OE2 3.17Å; R197-E199 IonicContact CZ-OE1 3.77Å; R197-E199 IonicContact CZ-OE2 3.55Å; R197-E199 IonicContact NE-OE1 3.73Å; R197-E199 PolarHBondContact NE-OE1 3.1Å; R197-E199 IonicContact NE-OE2 2.83Å; R197-E199 PolarHBondContact NE-OE2 2.9Å; R197-E199 IonicContact NH2-OE1 3.71Å; R197-E199 PolarHBondContact NH2-OE1 2.85Å; R197-E199 IonicContact NH2-OE2 2.75Å; R197-E199 PolarHBondContact O-N 2.82Å; E199-P203 VanDerWaalsContact O-CD 3.22Å; E199-P203 WeakPolarHBondContact O-CD 3.3Å; E199-P203 WeakPolarHBondContact O-CG 3.49Å |
| 200 | M | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -82.2 | -46.8 | 170.2 | 168.9 | -176.6 | 169.1 | 0 | 0 | 110.9 | S16 L17 F18 A91 L94 F196 R197 P198 M204 | S16-M200 WeakPolarHBondContact O-CG 3.39Å; L17-M200 HydrophobicContact CD2-CE 3.42Å; L17-M200 VanDerWaalsContact CD2-CE 3.42Å; L17-M200 HydrophobicContact CD2-SD 3.83Å; F18-M200 HydrophobicContact CB-CB 4.23Å; A91-M200 HydrophobicContact CB-CE 4.37Å; L94-M200 HydrophobicContact CD1-CE 3.98Å; F196-M200 HydrophobicContact CB-SD 3.91Å; F196-M200 HydrophobicContact CD1-CE 3.97Å; F196-M200 HydrophobicContact CD1-SD 3.52Å; F196-M200 VanDerWaalsContact CD1-SD 3.52Å; F196-M200 HydrophobicContact CD2-CE 3.9Å; F196-M200 HydrophobicContact CD2-SD 4.27Å; F196-M200 HydrophobicContact CE1-CE 4.09Å; F196-M200 HydrophobicContact CE1-SD 4.08Å; F196-M200 HydrophobicContact CE2-CE 4.04Å; F196-M200 HydrophobicContact CG-CE 3.92Å; F196-M200 HydrophobicContact CG-SD 3.66Å; F196-M200 HydrophobicContact CZ-CE 4.13Å; R197-M200 WeakPolarHBondContact O-CB 3.37Å; R197-M200 PolarHBondContact O-N 2.91Å; P198-M200 PolarHBondContact O-N 3.38Å; M200-M204 HydrophobicContact CE-CE 4.04Å; M200-M204 HydrophobicContact CG-CE 3.94Å |
| 201 | L | 97.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.7 | -41.2 | -168.7 | -61.6 | 177.8 | 0 | 0 | 0 | 114.1 | L94 F196 R197 P198 M204 L206 V212 | L94-L201 HydrophobicContact CD1-CD2 3.91Å; F196-L201 HydrophobicContact CB-CD1 4.03Å; F196-L201 HydrophobicContact CB-CD2 3.92Å; F196-L201 HydrophobicContact CB-CG 3.97Å; F196-L201 HydrophobicContact CD2-CD2 4.31Å; R197-L201 PolarHBondContact O-N 2.87Å; R197-L201 VanDerWaalsContact O-N 3.14Å; P198-L201 PolarHBondContact O-N 2.94Å; L201-M204 WeakPolarHBondContact O-CB 3.29Å; L201-M204 PolarHBondContact O-N 2.96Å; L201-L206 HydrophobicContact CB-CD1 4Å; L201-L206 HydrophobicContact CD2-CD1 3.78Å; L201-L206 HydrophobicContact CG-CD1 4.44Å; L201-V212 HydrophobicContact CD1-CB 4.1Å; L201-V212 HydrophobicContact CD1-CG2 3.78Å; L201-V212 HydrophobicContact CD2-CB 4.27Å; L201-V212 HydrophobicContact CD2-CG2 3.8Å; L201-V212 HydrophobicContact CG-CG2 4.47Å |
| 202 | R | 96.3 | Very high | 96.3 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -39.1 | -172.9 | -61.4 | -44.8 | -170.1 | 102.9 | 4.6 | 113.8 | F63 P198 M204 G205 E208 | F63-R202 HydrophobicContact CB-CB 4.34Å; F63-R202 HydrophobicContact CB-CG 4.31Å; F63-R202 HydrophobicContact CD1-CB 3.67Å; F63-R202 HydrophobicContact CD1-CG 4.14Å; F63-R202 HydrophobicContact CD2-CB 3.64Å; F63-R202 HydrophobicContact CD2-CG 4.49Å; F63-R202 HydrophobicContact CE1-CB 3.78Å; F63-R202 HydrophobicContact CE2-CB 3.76Å; F63-R202 HydrophobicContact CG-CB 3.6Å; F63-R202 HydrophobicContact CG-CG 4.06Å; F63-R202 HydrophobicContact CZ-CB 3.82Å; P198-R202 HydrophobicContact CB-CG 4.27Å; P198-R202 WeakPolarHBondContact O-CB 3.11Å; P198-R202 VanDerWaalsContact O-CG 3.29Å; P198-R202 WeakPolarHBondContact O-CG 3.24Å; P198-R202 PolarHBondContact O-N 3.11Å; R202-M204 PolarHBondContact O-N 3.43Å; R202-G205 PolarHBondContact O-N 3.5Å; R202-E208 IonicContact CZ-OE1 3.93Å; R202-E208 VanDerWaalsContact NH1-CA 3.34Å; R202-E208 VanDerWaalsContact NH1-CG 3.28Å; R202-E208 IonicContact NH1-OE1 2.83Å; R202-E208 PolarHBondContact NH1-OE1 3.5Å |
| 203 | P | 96.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32 | 174.4 | -24.4 | 33.6 | 0 | 0 | 0 | 113.4 | Y50 K53 V54 V57 F63 E199 G205 | Y50-P203 HydrophobicContact CD2-CB 4.27Å; Y50-P203 WeakPolarHBondContact CD2-O 3.3Å; Y50-P203 HydrophobicContact CE2-CB 3.95Å; K53-P203 HydrophobicContact CB-CB 3.94Å; K53-P203 VanDerWaalsContact CD-O 3.29Å; K53-P203 WeakPolarHBondContact CD-O 3.45Å; V54-P203 HydrophobicContact CG2-CB 4.22Å; V57-P203 HydrophobicContact CB-CG 4.31Å; V57-P203 HydrophobicContact CG1-CG 4.43Å; V57-P203 HydrophobicContact CG2-CG 3.7Å; F63-P203 HydrophobicContact CD2-CG 4.43Å; F63-P203 HydrophobicContact CE2-CG 3.83Å; E199-P203 VanDerWaalsContact O-CD 3.22Å; E199-P203 WeakPolarHBondContact O-CD 3.3Å; E199-P203 WeakPolarHBondContact O-CG 3.49Å; P203-G205 PolarHBondContact O-N 3.45Å |
| 204 | M | 96.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.044 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.6 | 178.4 | -60.8 | 176.4 | -178.5 | 0 | 0 | 113.3 | Y50 A91 L94 H95 S98 M200 L201 R202 L206 | Y50-M204 HydrophobicContact CE2-CB 4.22Å; Y50-M204 HydrophobicContact CE2-CG 3.64Å; Y50-M204 WeakPolarHBondContact OH-CE 3.39Å; Y50-M204 WeakPolarHBondContact OH-CG 3.47Å; A91-M204 HydrophobicContact CB-CE 4.1Å; L94-M204 HydrophobicContact CB-SD 3.82Å; H95-M204 HydrophobicContact CB-CG 4.38Å; H95-M204 HydrophobicContact CB-SD 4.37Å; S98-M204 WeakPolarHBondContact CB-O 3.28Å; S98-M204 PolarHBondContact OG-O 2.87Å; M200-M204 HydrophobicContact CE-CE 4.04Å; M200-M204 HydrophobicContact CG-CE 3.94Å; L201-M204 WeakPolarHBondContact O-CB 3.29Å; L201-M204 PolarHBondContact O-N 2.96Å; R202-M204 PolarHBondContact O-N 3.43Å; M204-L206 HydrophobicContact CB-CG 4.41Å; M204-L206 HydrophobicContact SD-CD1 4.29Å |
| 205 | G | 94.8 | Very high | 96.4 | Very high | 43 Ų | 43 | 29.1 Ų | 29.1 | 44% | 0.443 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 18.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R202 P203 | R202-G205 PolarHBondContact O-N 3.5Å; P203-G205 PolarHBondContact O-N 3.45Å |
| 206 | L | 95.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 146.5 | 173.5 | -70.4 | 166.8 | 0 | 0 | 0 | 111.1 | L94 F103 L201 M204 L210 | L94-L206 HydrophobicContact CB-CD1 4.4Å; F103-L206 HydrophobicContact CE2-CD2 3.82Å; L201-L206 HydrophobicContact CB-CD1 4Å; L201-L206 HydrophobicContact CD2-CD1 3.78Å; L201-L206 HydrophobicContact CG-CD1 4.44Å; M204-L206 HydrophobicContact CB-CG 4.41Å; M204-L206 HydrophobicContact SD-CD1 4.29Å; L206-L210 HydrophobicContact CB-CD2 3.86Å; L206-L210 HydrophobicContact CD1-CD2 4.04Å; L206-L210 HydrophobicContact CD2-CD2 3.72Å; L206-L210 HydrophobicContact CG-CD2 4.08Å |
| 207 | P | 93.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 153.3 | -175 | 24.4 | -33.4 | 0 | 0 | 0 | 112.6 | F103 F138 L210 | F103-P207 HydrophobicContact CB-CG 4.28Å; F103-P207 HydrophobicContact CD1-CG 3.89Å; F103-P207 HydrophobicContact CD2-CG 3.86Å; F103-P207 HydrophobicContact CE1-CG 4.2Å; F103-P207 HydrophobicContact CE2-CG 4.14Å; F103-P207 HydrophobicContact CG-CG 3.72Å; F103-P207 HydrophobicContact CZ-CG 4.33Å; F138-P207 HydrophobicContact CE1-CB 4.27Å; F138-P207 HydrophobicContact CE1-CG 4.07Å; F138-P207 HydrophobicContact CZ-CB 4.32Å; F138-P207 HydrophobicContact CZ-CG 3.85Å; P207-L210 HydrophobicContact CG-CB 4.21Å; P207-L210 VanDerWaalsContact O-CB 3.28Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.35Å |
| 208 | E | 90.7 | Very high | 95.9 | Very high | 156 Ų | 156 | 27.7 Ų | 27.7 | 73% | 0.729 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 143.6 | 176.6 | -51.6 | -137.8 | 106.7 | 0 | 0 | 112.2 | R202 L210 | R202-E208 IonicContact CZ-OE1 3.93Å; R202-E208 VanDerWaalsContact NH1-CA 3.34Å; R202-E208 VanDerWaalsContact NH1-CG 3.28Å; R202-E208 IonicContact NH1-OE1 2.83Å; R202-E208 PolarHBondContact NH1-OE1 3.5Å; E208-L210 PolarHBondContact O-N 2.79Å |
| 209 | G | 91.6 | Very high | 95.6 | Very high | 41 Ų | 41 | 28 Ų | 28 | 42% | 0.423 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | -9.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S211 | G209-S211 PolarHBondContact O-N 3.38Š|
| 210 | L | 95.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132.4 | 170.5 | -170.2 | 74.9 | 0 | 0 | 0 | 109.9 | F103 F138 L206 P207 E208 V212 | F103-L210 HydrophobicContact CE1-CD1 3.54Å; F103-L210 HydrophobicContact CE1-CD2 4.4Å; F103-L210 HydrophobicContact CE2-CD1 4.48Å; F103-L210 HydrophobicContact CE2-CD2 3.88Å; F103-L210 HydrophobicContact CZ-CD1 3.4Å; F103-L210 HydrophobicContact CZ-CD2 3.52Å; F103-L210 HydrophobicContact CZ-CG 4.1Å; F138-L210 HydrophobicContact CD1-CB 4.46Å; F138-L210 HydrophobicContact CE1-CB 4.21Å; F138-L210 HydrophobicContact CE1-CD1 4.37Å; F138-L210 HydrophobicContact CE2-CD1 4.42Å; F138-L210 HydrophobicContact CZ-CD1 4.32Å; L206-L210 HydrophobicContact CB-CD2 3.86Å; L206-L210 HydrophobicContact CD1-CD2 4.04Å; L206-L210 HydrophobicContact CD2-CD2 3.72Å; L206-L210 HydrophobicContact CG-CD2 4.08Å; P207-L210 HydrophobicContact CG-CB 4.21Å; P207-L210 VanDerWaalsContact O-CB 3.28Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.35Å; E208-L210 PolarHBondContact O-N 2.79Å; L210-V212 HydrophobicContact CD2-CG2 4.41Å |
| 211 | S | 97.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 25% | 0.252 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.2 | 172.4 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | D137 L140 G209 | D137-S211 PolarHBondContact N-O 3.12Å; D137-S211 VanDerWaalsContact N-O 3.09Å; D137-S211 PolarHBondContact O-N 3.04Å; L140-S211 WeakPolarHBondContact CD1-O 3.36Å; G209-S211 PolarHBondContact O-N 3.38Å |
| 212 | V | 98.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 119.5 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | L94 L134 V135 A136 L195 F196 L201 L210 | L94-V212 HydrophobicContact CD1-CG1 4.27Å; L94-V212 HydrophobicContact CD2-CG1 4.25Å; L94-V212 HydrophobicContact CD2-CG2 3.99Å; L134-V212 HydrophobicContact CB-CG1 4.24Å; L134-V212 HydrophobicContact CD1-CG1 4.06Å; V135-V212 WeakPolarHBondContact O-CA 3.38Å; A136-V212 HydrophobicContact CB-CG1 4.31Å; A136-V212 HydrophobicContact CB-CG2 3.75Å; L195-V212 CarbonylContact C-O 3.35Å; L195-V212 WeakPolarHBondContact CA-O 3.47Å; F196-V212 HydrophobicContact CB-CB 4.33Å; F196-V212 HydrophobicContact CD2-CB 3.73Å; F196-V212 HydrophobicContact CD2-CG1 3.44Å; F196-V212 VanDerWaalsContact CD2-CG1 3.44Å; F196-V212 HydrophobicContact CE2-CG1 3.83Å; F196-V212 HydrophobicContact CG-CB 4.49Å; F196-V212 PolarHBondContact N-O 2.92Å; L201-V212 HydrophobicContact CD1-CB 4.1Å; L201-V212 HydrophobicContact CD1-CG2 3.78Å; L201-V212 HydrophobicContact CD2-CB 4.27Å; L201-V212 HydrophobicContact CD2-CG2 3.8Å; L201-V212 HydrophobicContact CG-CG2 4.47Å; L210-V212 HydrophobicContact CD2-CG2 4.41Å |
| 213 | I | 98.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 137.7 | 172 | 64.1 | -174.7 | 0 | 0 | 0 | 108.1 | L134 V135 L140 H144 L145 V148 L195 | L134-I213 CarbonylContact C-O 3.57Å; L134-I213 WeakPolarHBondContact CA-O 3.39Å; V135-I213 HydrophobicContact CB-CD1 4.04Å; V135-I213 HydrophobicContact CB-CG1 3.76Å; V135-I213 HydrophobicContact CG2-CD1 4.45Å; V135-I213 HydrophobicContact CG2-CG1 4.39Å; V135-I213 PolarHBondContact N-O 3.21Å; V135-I213 PolarHBondContact O-N 2.8Å; L140-I213 HydrophobicContact CB-CG2 3.92Å; L140-I213 HydrophobicContact CD1-CD1 4.08Å; L140-I213 HydrophobicContact CD1-CG1 3.95Å; L140-I213 HydrophobicContact CD1-CG2 4.25Å; H144-I213 HydrophobicContact CB-CD1 4.31Å; L145-I213 HydrophobicContact CB-CB 4.1Å; L145-I213 HydrophobicContact CB-CD1 4.4Å; L145-I213 HydrophobicContact CB-CG2 3.99Å; L145-I213 HydrophobicContact CD1-CB 4.1Å; L145-I213 HydrophobicContact CG-CB 4.48Å; V148-I213 HydrophobicContact CG2-CD1 4.16Å; L195-I213 HydrophobicContact CD1-CG2 3.99Å; L195-I213 HydrophobicContact CD2-CG2 4.49Å; L195-I213 HydrophobicContact CG-CG2 3.81Å |
| 214 | A | 98.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 153.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G133 L134 S193 G194 F196 | G133-A214 CarbonylContact O-C 3.54Å; G133-A214 VanDerWaalsContact O-CA 3.26Å; G133-A214 WeakPolarHBondContact O-CA 3.46Å; L134-A214 HydrophobicContact CB-CB 3.88Å; S193-A214 CarbonylContact C-O 3.53Å; S193-A214 VanDerWaalsContact CA-O 3.26Å; S193-A214 WeakPolarHBondContact CA-O 3.47Å; S193-A214 VanDerWaalsContact CB-O 3.23Å; S193-A214 WeakPolarHBondContact CB-O 3.41Å; G194-A214 PolarHBondContact N-O 2.9Å; G194-A214 PolarHBondContact O-N 2.87Å; F196-A214 HydrophobicContact CE1-CB 4.13Å; F196-A214 HydrophobicContact CE2-CB 3.78Å; F196-A214 HydrophobicContact CZ-CB 3.55Å |
| 215 | W | 98.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.095 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 150 | 173 | 72.6 | 98.2 | 0 | 0 | 0 | 110.4 | E132 G133 V135 V148 I149 F152 N192 | E132-W215 WeakPolarHBondContact CA-O 3.36Å; G133-W215 PolarHBondContact N-O 2.8Å; G133-W215 VanDerWaalsContact O-CE3 3.27Å; G133-W215 PolarHBondContact O-N 2.78Å; V135-W215 HydrophobicContact CG2-CZ3 4.27Å; V148-W215 HydrophobicContact CG1-CE3 4.08Å; V148-W215 HydrophobicContact CG1-CH2 3.58Å; V148-W215 HydrophobicContact CG1-CZ2 4.16Å; V148-W215 HydrophobicContact CG1-CZ3 3.53Å; I149-W215 HydrophobicContact CG1-CB 4.27Å; I149-W215 HydrophobicContact CG1-CG 4.4Å; F152-W215 HydrophobicContact CD2-CZ2 4.09Å; F152-W215 AromaticContact CD2-NE1 3.91Å; F152-W215 AromaticContact CG-NE1 3.89Å; N192-W215 CarbonylContact O-C 3.54Å; N192-W215 WeakPolarHBondContact O-CA 2.99Å |
| 216 | G | 96.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V131 G191 N192 | V131-G216 CarbonylContact O-C 3.56Å; V131-G216 WeakPolarHBondContact O-CA 3.18Å; G191-G216 CarbonylContact C-O 3.54Å; G191-G216 VanDerWaalsContact CA-O 3.24Å; G191-G216 WeakPolarHBondContact CA-O 3.49Å; N192-G216 PolarHBondContact N-O 2.88Å; N192-G216 PolarHBondContact O-N 2.86Å |
| 217 | L | 94.6 | Very high | 90.1 | Very high | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 154.3 | 172.6 | 60.1 | 140.9 | 0 | 0 | 0 | 110.7 | V131 F152 F153 I190 P222 | V131-L217 HydrophobicContact CB-CD2 4.33Å; V131-L217 HydrophobicContact CB-CG 4.14Å; V131-L217 HydrophobicContact CG1-CD2 4.45Å; V131-L217 PolarHBondContact N-O 2.82Å; V131-L217 PolarHBondContact O-N 2.81Å; F152-L217 HydrophobicContact CE1-CD2 3.76Å; F152-L217 HydrophobicContact CZ-CD2 4.09Å; F153-L217 HydrophobicContact CZ-CD2 4.32Å; I190-L217 WeakPolarHBondContact O-CB 3.44Å; L217-P222 HydrophobicContact CD1-CG 3.8Å |
| 218 | S | 91.3 | Very high | 89.5 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 20% | 0.203 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.1 | 165.2 | 155.3 | 0 | 0 | 0 | 0 | 109.6 | H129 E220 R221 P222 | H129-S218 WeakPolarHBondContact O-CA 3.45Å; S218-E220 PolarHBondContact OG-N 2.81Å; S218-E220 VanDerWaalsContact OG-N 3.12Å; S218-E220 PolarHBondContact OG-OE2 3.21Å; S218-R221 PolarHBondContact OG-N 3.5Å; S218-P222 WeakPolarHBondContact O-CD 2.9Å |
| 219 | L | 91.6 | Very high | 89.1 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 37% | 0.366 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -75.5 | -32.2 | 174 | -172.7 | 62.9 | 0 | 0 | 0 | 111.8 | I111 H129 V131 T223 | I111-L219 HydrophobicContact CG2-CD2 4.26Å; H129-L219 HydrophobicContact CB-CB 3.97Å; H129-L219 HydrophobicContact CB-CD2 4.11Å; H129-L219 PolarHBondContact O-N 2.78Å; V131-L219 HydrophobicContact CG2-CB 4.22Å; V131-L219 HydrophobicContact CG2-CD1 4.05Å; L219-T223 WeakPolarHBondContact O-CB 3.2Å; L219-T223 PolarHBondContact O-N 2.92Å; L219-T223 PolarHBondContact O-OG1 2.76Å |
| 220 | E | 89.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -44.3 | -177.1 | -66.9 | 74.1 | -162 | 0 | 0 | 111.2 | H129 S218 T223 M224 I232 L235 I236 | H129-E220 WeakPolarHBondContact CB-OE1 3.21Å; H129-E220 IonicContact CE1-OE1 3.96Å; H129-E220 IonicContact CG-OE1 2.8Å; H129-E220 VanDerWaalsContact N-CD 3.34Å; H129-E220 PolarHBondContact N-OE1 2.78Å; H129-E220 PolarHBondContact N-OE2 2.83Å; H129-E220 IonicContact ND1-OE1 2.78Å; H129-E220 PolarHBondContact ND1-OE1 2.75Å; S218-E220 PolarHBondContact OG-N 2.81Å; S218-E220 VanDerWaalsContact OG-N 3.12Å; S218-E220 PolarHBondContact OG-OE2 3.21Å; E220-T223 CarbonylContact O-C 3.52Å; E220-T223 WeakPolarHBondContact O-CA 3.36Å; E220-T223 WeakPolarHBondContact O-CB 3.31Å; E220-T223 PolarHBondContact O-N 2.63Å; E220-M224 WeakPolarHBondContact O-CG 3.28Å; E220-M224 PolarHBondContact O-N 3.44Å; E220-I232 HydrophobicContact CB-CD1 3.67Å; E220-I232 HydrophobicContact CB-CG1 4.08Å; E220-I232 HydrophobicContact CG-CD1 3.89Å; E220-I232 HydrophobicContact CG-CG1 4.18Å; E220-L235 HydrophobicContact CB-CD2 4.28Å; E220-L235 HydrophobicContact CG-CD2 4.34Å; E220-I236 HydrophobicContact CG-CD1 3.45Å; E220-I236 VanDerWaalsContact CG-CD1 3.45Å; E220-I236 HydrophobicContact CG-CG1 4.46Å; E220-I236 WeakPolarHBondContact OE1-CD1 3.29Å |
| 221 | R | 81.2 | Confident | 88 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 34% | 0.343 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -49.2 | -174.1 | -173.8 | 174.6 | -66.3 | 169.9 | 0.1 | 113.3 | E189 S218 T223 M224 I225 | E189-R221 WeakPolarHBondContact O-CD 3.5Å; E189-R221 IonicContact OE1-NH1 2.86Å; E189-R221 IonicContact OE2-NH1 3.75Å; S218-R221 PolarHBondContact OG-N 3.5Å; R221-T223 VanDerWaalsContact C-N 3.26Å; R221-T223 PolarHBondContact O-N 3.25Å; R221-M224 PolarHBondContact O-N 2.58Å; R221-I225 HydrophobicContact CG-CD1 4.28Å; R221-I225 WeakPolarHBondContact O-CG1 3.41Å; R221-I225 PolarHBondContact O-N 3.07Å; R221-I225 VanDerWaalsContact O-N 3.11Å |
| 222 | P | 81.4 | Confident | 87.3 | Confident | 41 Ų | 41 | 45.8 Ų | 45.8 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 171.6 | -23.2 | 33.4 | 0 | 0 | 0 | 113.2 | L217 S218 I225 R226 | L217-P222 HydrophobicContact CD1-CG 3.8Å; S218-P222 WeakPolarHBondContact O-CD 2.9Å; P222-I225 PolarHBondContact O-N 2.99Å; P222-R226 WeakPolarHBondContact O-CB 3.49Å; P222-R226 PolarHBondContact O-N 3.23Å |
| 223 | T | 84.7 | Confident | 86.5 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.2 | -46.1 | -179.8 | -56 | 0 | 0 | 0 | 0 | 111.1 | L219 E220 R221 I225 R226 Y227 L235 | L219-T223 WeakPolarHBondContact O-CB 3.2Å; L219-T223 PolarHBondContact O-N 2.92Å; L219-T223 PolarHBondContact O-OG1 2.76Å; E220-T223 CarbonylContact O-C 3.52Å; E220-T223 WeakPolarHBondContact O-CA 3.36Å; E220-T223 WeakPolarHBondContact O-CB 3.31Å; E220-T223 PolarHBondContact O-N 2.63Å; R221-T223 VanDerWaalsContact C-N 3.26Å; R221-T223 PolarHBondContact O-N 3.25Å; T223-I225 VanDerWaalsContact C-N 3.34Å; T223-I225 PolarHBondContact O-N 3.21Å; T223-R226 PolarHBondContact O-N 2.92Å; T223-Y227 HydrophobicContact CG2-CD2 3.74Å; T223-Y227 HydrophobicContact CG2-CE2 4.01Å; T223-Y227 VanDerWaalsContact O-CD2 3.29Å; T223-Y227 WeakPolarHBondContact O-CD2 3.38Å; T223-Y227 PolarHBondContact O-N 3.01Å; T223-L235 HydrophobicContact CG2-CD1 3.55Å; T223-L235 HydrophobicContact CG2-CD2 3.59Å; T223-L235 HydrophobicContact CG2-CG 4.2Å |
| 224 | M | 82.9 | Confident | 85.8 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 174.6 | -70.4 | 177.7 | 70 | 0 | 0 | 111.7 | E220 R221 R226 G228 Y229 I232 L235 | E220-M224 WeakPolarHBondContact O-CG 3.28Å; E220-M224 PolarHBondContact O-N 3.44Å; R221-M224 PolarHBondContact O-N 2.58Å; M224-R226 PolarHBondContact O-N 2.79Å; M224-G228 CarbonylContact O-C 3.55Å; M224-G228 WeakPolarHBondContact O-CA 3.46Å; M224-G228 PolarHBondContact O-N 2.73Å; M224-Y229 PolarHBondContact O-N 2.88Å; M224-I232 HydrophobicContact CE-CB 4.14Å; M224-I232 HydrophobicContact SD-CB 3.66Å; M224-I232 HydrophobicContact SD-CD1 4.29Å; M224-I232 HydrophobicContact SD-CG1 3.89Å; M224-L235 HydrophobicContact CG-CD2 4.26Å |
| 225 | I | 79.1 | Confident | 85.1 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.8 | -72.8 | 167.9 | 0 | 0 | 0 | 111.2 | V188 R221 P222 T223 Y227 | V188-I225 HydrophobicContact CG1-CD1 4.17Å; R221-I225 HydrophobicContact CG-CD1 4.28Å; R221-I225 WeakPolarHBondContact O-CG1 3.41Å; R221-I225 PolarHBondContact O-N 3.07Å; R221-I225 VanDerWaalsContact O-N 3.11Å; P222-I225 PolarHBondContact O-N 2.99Å; T223-I225 VanDerWaalsContact C-N 3.34Å; T223-I225 PolarHBondContact O-N 3.21Å; I225-Y227 PolarHBondContact O-N 3.06Å |
| 226 | R | 77.2 | Confident | 84.5 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | -176.1 | 179.9 | 175.4 | -180 | 132 | 7.3 | 113.1 | P222 T223 M224 C251 Y254 | P222-R226 WeakPolarHBondContact O-CB 3.49Å; P222-R226 PolarHBondContact O-N 3.23Å; T223-R226 PolarHBondContact O-N 2.92Å; M224-R226 PolarHBondContact O-N 2.79Å; R226-C251 PolarHBondContact NH2-O 3.32Å; R226-Y254 PolarHBondContact NH2-O 2.93Å |
| 227 | Y | 80.5 | Confident | 84 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -98.1 | -2.2 | -177.6 | -68.1 | -77 | 0 | 0 | 0 | 113.6 | T223 I225 Y229 C251 | T223-Y227 HydrophobicContact CG2-CD2 3.74Å; T223-Y227 HydrophobicContact CG2-CE2 4.01Å; T223-Y227 VanDerWaalsContact O-CD2 3.29Å; T223-Y227 WeakPolarHBondContact O-CD2 3.38Å; T223-Y227 PolarHBondContact O-N 3.01Å; I225-Y227 PolarHBondContact O-N 3.06Å; Y227-Y229 AromaticContact CG-CE2 3.98Å; Y227-Y229 HydrophobicContact CG-CE2 3.98Å; Y227-C251 VanDerWaalsContact OH-CB 3.28Å; Y227-C251 WeakPolarHBondContact OH-CB 3.09Å; Y227-C251 PolarHBondContact OH-SG 3.21Å |
| 228 | G | 80.1 | Confident | 83.7 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 61% | 0.608 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 23.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M224 | M224-G228 CarbonylContact O-C 3.55Å; M224-G228 WeakPolarHBondContact O-CA 3.46Å; M224-G228 PolarHBondContact O-N 2.73Å |
| 229 | Y | 82.5 | Confident | 83.4 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 26% | 0.255 | 36% | 0.356 | S | S | . | . | trans | -74 | 134.5 | 175.5 | -65.5 | -65.6 | 0 | 0 | 0 | 111 | M224 Y227 D234 L235 M244 | M224-Y229 PolarHBondContact O-N 2.88Å; Y227-Y229 AromaticContact CG-CE2 3.98Å; Y227-Y229 HydrophobicContact CG-CE2 3.98Å; Y229-D234 HydrophobicContact CD1-CB 4.17Å; Y229-L235 HydrophobicContact CD2-CD1 4.33Å; Y229-L235 HydrophobicContact CE2-CD1 4.3Å; Y229-M244 HydrophobicContact CE1-SD 3.61Å; Y229-M244 HydrophobicContact CE2-SD 4.17Å; Y229-M244 WeakPolarHBondContact OH-CG 3.38Å; Y229-M244 PolarHBondContact OH-SD 3.26Å | ||
| 230 | K | 80.6 | Confident | 83.3 | Confident | 190 Ų | 190 | 68.8 Ų | 68.8 | 83% | 0.826 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -92.4 | -27 | 175.6 | -66.2 | -178.1 | -179.6 | 177.2 | 0 | 112.7 | ||
| 231 | N | 83.4 | Confident | 83.2 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | trans | -120.3 | 126.2 | -177.4 | -175 | -12.3 | 0 | 0 | 0 | 109.6 | A122 R233 D234 | A122-N231 WeakPolarHBondContact O-CA 3.35Å; N231-R233 PolarHBondContact O-N 3.29Å; N231-R233 WeakPolarHBondContact OD1-CB 3.28Å; N231-R233 WeakPolarHBondContact OD1-CG 3.42Å; N231-R233 PolarHBondContact OD1-N 3.03Å; N231-D234 WeakPolarHBondContact CB-OD2 3.45Å; N231-D234 WeakPolarHBondContact O-CB 3.5Å; N231-D234 PolarHBondContact O-N 3.02Å | ||
| 232 | I | 82.2 | Confident | 83.6 | Confident | 7 Ų | 7 | 73.4 Ų | 73.4 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -63.6 | -26.5 | -179.6 | -167.1 | 166.3 | 0 | 0 | 0 | 112.6 | A122 L125 E220 M224 D234 L235 I236 | A122-I232 WeakPolarHBondContact O-CG2 3.38Å; A122-I232 PolarHBondContact O-N 3.29Å; L125-I232 HydrophobicContact CD1-CD1 3.93Å; L125-I232 HydrophobicContact CD1-CG1 3.73Å; L125-I232 HydrophobicContact CD1-CG2 4.15Å; L125-I232 HydrophobicContact CD2-CG2 3.74Å; L125-I232 HydrophobicContact CG-CB 4.36Å; L125-I232 HydrophobicContact CG-CD1 3.91Å; L125-I232 HydrophobicContact CG-CG1 3.96Å; L125-I232 HydrophobicContact CG-CG2 3.56Å; E220-I232 HydrophobicContact CB-CD1 3.67Å; E220-I232 HydrophobicContact CB-CG1 4.08Å; E220-I232 HydrophobicContact CG-CD1 3.89Å; E220-I232 HydrophobicContact CG-CG1 4.18Å; M224-I232 HydrophobicContact CE-CB 4.14Å; M224-I232 HydrophobicContact SD-CB 3.66Å; M224-I232 HydrophobicContact SD-CD1 4.29Å; M224-I232 HydrophobicContact SD-CG1 3.89Å; I232-D234 PolarHBondContact O-N 2.97Å; I232-L235 WeakPolarHBondContact O-CB 3.36Å; I232-L235 PolarHBondContact O-N 2.8Å; I232-I236 PolarHBondContact O-N 3.18Å |
| 233 | R | 82.8 | Confident | 84 | Confident | 93 Ų | 93 | 76 Ų | 76 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -69.6 | -19.6 | 178.5 | -61 | 174.1 | -169.7 | 138 | 3.2 | 113.3 | L120 D121 L125 N231 | L120-R233 PolarHBondContact O-NH2 3.43Å; D121-R233 VanDerWaalsContact O-CZ 3.31Å; D121-R233 PolarHBondContact O-NH2 2.94Å; L125-R233 HydrophobicContact CD2-CG 3.83Å; N231-R233 PolarHBondContact O-N 3.29Å; N231-R233 WeakPolarHBondContact OD1-CB 3.28Å; N231-R233 WeakPolarHBondContact OD1-CG 3.42Å; N231-R233 PolarHBondContact OD1-N 3.03Å |
| 234 | D | 84 | Confident | 84 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -75.9 | -19.3 | 173.7 | -56.4 | -20 | 0 | 0 | 0 | 110.7 | Y229 N231 I232 M244 | Y229-D234 HydrophobicContact CD1-CB 4.17Å; N231-D234 WeakPolarHBondContact CB-OD2 3.45Å; N231-D234 WeakPolarHBondContact O-CB 3.5Å; N231-D234 PolarHBondContact O-N 3.02Å; I232-D234 PolarHBondContact O-N 2.97Å; D234-M244 WeakPolarHBondContact O-CE 3.5Å |
| 235 | L | 83.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -36.6 | -180 | -176 | 67.6 | 0 | 0 | 0 | 112.8 | E220 T223 M224 Y229 I232 I240 | E220-L235 HydrophobicContact CB-CD2 4.28Å; E220-L235 HydrophobicContact CG-CD2 4.34Å; T223-L235 HydrophobicContact CG2-CD1 3.55Å; T223-L235 HydrophobicContact CG2-CD2 3.59Å; T223-L235 HydrophobicContact CG2-CG 4.2Å; M224-L235 HydrophobicContact CG-CD2 4.26Å; Y229-L235 HydrophobicContact CD2-CD1 4.33Å; Y229-L235 HydrophobicContact CE2-CD1 4.3Å; I232-L235 WeakPolarHBondContact O-CB 3.36Å; I232-L235 PolarHBondContact O-N 2.8Å; L235-I240 WeakPolarHBondContact O-CD1 3.17Å |
| 236 | I | 85.3 | Confident | 84.7 | Confident | 40 Ų | 40 | 85 Ų | 85 | 21% | 0.205 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -138.8 | 136.5 | -172.9 | -57.2 | -173.9 | 0 | 0 | 0 | 110.8 | L125 E220 I232 | L125-I236 HydrophobicContact CD1-CB 4.25Å; E220-I236 HydrophobicContact CG-CD1 3.45Å; E220-I236 VanDerWaalsContact CG-CD1 3.45Å; E220-I236 HydrophobicContact CG-CG1 4.46Å; E220-I236 WeakPolarHBondContact OE1-CD1 3.29Å; I232-I236 PolarHBondContact O-N 3.18Å |
| 237 | G | 86.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 88.1 Ų | 88.1 | 33% | 0.33 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 126.3 | 175.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | K239 I240 | G237-K239 PolarHBondContact O-N 2.92Å; G237-K239 VanDerWaalsContact O-N 3.13Å; G237-I240 WeakPolarHBondContact O-CB 3.08Å; G237-I240 WeakPolarHBondContact O-CG2 3.48Å; G237-I240 PolarHBondContact O-N 3.38Å |
| 238 | P | 87.4 | Confident | 85.4 | Confident | 138 Ų | 138 | 87.2 Ų | 87.2 | 90% | 0.896 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.2 | -178 | 27.9 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 239 | K | 85.5 | Confident | 85.6 | Confident | 196 Ų | 196 | 87.3 Ų | 87.3 | 85% | 0.852 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.1 | 180 | -62.5 | -172.8 | 178.8 | -177.9 | 0 | 113.5 | G237 | G237-K239 PolarHBondContact O-N 2.92Å; G237-K239 VanDerWaalsContact O-N 3.13Å |
| 240 | I | 88.6 | Confident | 85.6 | Confident | 40 Ų | 40 | 90.6 Ų | 90.6 | 21% | 0.205 | 46% | 0.46 | C | S | . | . | trans | -60.2 | 138.7 | 179.4 | -166.2 | 167.1 | 0 | 0 | 0 | 111.1 | L235 G237 L242 M244 I245 | L235-I240 WeakPolarHBondContact O-CD1 3.17Å; G237-I240 WeakPolarHBondContact O-CB 3.08Å; G237-I240 WeakPolarHBondContact O-CG2 3.48Å; G237-I240 PolarHBondContact O-N 3.38Å; I240-L242 HydrophobicContact CG2-CD2 4.31Å; I240-L242 PolarHBondContact O-N 3.33Å; I240-M244 HydrophobicContact CD1-CE 3.67Å; I240-M244 HydrophobicContact CG1-CE 3.68Å; I240-I245 HydrophobicContact CD1-CD1 3.93Å; I240-I245 HydrophobicContact CD1-CG1 4.12Å; I240-I245 HydrophobicContact CG1-CD1 4.31Å; I240-I245 HydrophobicContact CG1-CG1 4.45Å; I240-I245 HydrophobicContact CG2-CD1 4.18Å | ||
| 241 | D | 87.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | trans | -72.4 | 111.7 | 172.2 | 178.6 | 10.1 | 0 | 0 | 0 | 109.5 | N243 M244 | D241-N243 PolarHBondContact O-N 3Å; D241-N243 WeakPolarHBondContact OD1-CB 3.33Å; D241-N243 PolarHBondContact OD1-N 3.04Å; D241-N243 PolarHBondContact OD1-ND2 3.05Å; D241-M244 HydrophobicContact CB-CB 4.19Å; D241-M244 WeakPolarHBondContact O-CB 3.44Å; D241-M244 PolarHBondContact O-N 3.19Å; D241-M244 VanDerWaalsContact O-N 3.13Å | ||
| 242 | L | 90.1 | Very high | 85.3 | Confident | 102 Ų | 102 | 94.2 Ų | 94.2 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.9 | -30.9 | 178.8 | -62.2 | -179.9 | 0 | 0 | 0 | 112.2 | I240 M244 I245 Y246 | I240-L242 HydrophobicContact CG2-CD2 4.31Å; I240-L242 PolarHBondContact O-N 3.33Å; L242-M244 PolarHBondContact O-N 3.22Å; L242-I245 HydrophobicContact CD2-CD1 3.88Å; L242-I245 WeakPolarHBondContact O-CB 3.18Å; L242-I245 PolarHBondContact O-N 3.13Å; L242-Y246 HydrophobicContact CB-CD2 4.4Å; L242-Y246 HydrophobicContact CB-CE2 4.02Å; L242-Y246 WeakPolarHBondContact O-CD2 3.49Å; L242-Y246 PolarHBondContact O-N 3.31Å |
| 243 | N | 89.2 | Confident | 84.4 | Confident | 97 Ų | 97 | 100.8 Ų | 100.8 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 177.4 | -70.5 | -53.5 | 0 | 0 | 0 | 112.2 | D241 I245 Y246 K247 | D241-N243 PolarHBondContact O-N 3Å; D241-N243 WeakPolarHBondContact OD1-CB 3.33Å; D241-N243 PolarHBondContact OD1-N 3.04Å; D241-N243 PolarHBondContact OD1-ND2 3.05Å; N243-I245 VanDerWaalsContact C-N 3.31Å; N243-Y246 PolarHBondContact O-N 2.99Å; N243-K247 WeakPolarHBondContact O-CB 3.33Å; N243-K247 WeakPolarHBondContact O-CG 3.39Å; N243-K247 PolarHBondContact O-N 3.13Å |
| 244 | M | 84.9 | Confident | 83.1 | Confident | 38 Ų | 38 | 103.4 Ų | 103.4 | 19% | 0.187 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 173.7 | -176.6 | -163.7 | 78.4 | 0 | 0 | 111 | Y229 D234 I240 D241 L242 K247 A248 | Y229-M244 HydrophobicContact CE1-SD 3.61Å; Y229-M244 HydrophobicContact CE2-SD 4.17Å; Y229-M244 WeakPolarHBondContact OH-CG 3.38Å; Y229-M244 PolarHBondContact OH-SD 3.26Å; D234-M244 WeakPolarHBondContact O-CE 3.5Å; I240-M244 HydrophobicContact CD1-CE 3.67Å; I240-M244 HydrophobicContact CG1-CE 3.68Å; D241-M244 HydrophobicContact CB-CB 4.19Å; D241-M244 WeakPolarHBondContact O-CB 3.44Å; D241-M244 PolarHBondContact O-N 3.19Å; D241-M244 VanDerWaalsContact O-N 3.13Å; L242-M244 PolarHBondContact O-N 3.22Å; M244-K247 PolarHBondContact O-N 3.27Å; M244-A248 WeakPolarHBondContact O-CB 3.4Å; M244-A248 PolarHBondContact O-N 3.03Å |
| 245 | I | 86.8 | Confident | 81.6 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 178 | -54.7 | 176.7 | 0 | 0 | 0 | 110.2 | I240 L242 N243 K247 A248 | I240-I245 HydrophobicContact CD1-CD1 3.93Å; I240-I245 HydrophobicContact CD1-CG1 4.12Å; I240-I245 HydrophobicContact CG1-CD1 4.31Å; I240-I245 HydrophobicContact CG1-CG1 4.45Å; I240-I245 HydrophobicContact CG2-CD1 4.18Å; L242-I245 HydrophobicContact CD2-CD1 3.88Å; L242-I245 WeakPolarHBondContact O-CB 3.18Å; L242-I245 PolarHBondContact O-N 3.13Å; N243-I245 VanDerWaalsContact C-N 3.31Å; I245-K247 VanDerWaalsContact C-N 3.29Å; I245-K247 PolarHBondContact O-N 3.48Å; I245-A248 WeakPolarHBondContact O-CB 3.01Å; I245-A248 PolarHBondContact O-N 3.35Å |
| 246 | Y | 90 | Very high | 79.8 | Confident | 188 Ų | 188 | 113.6 Ų | 113.6 | 74% | 0.737 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.9 | -34.3 | -180 | -70.2 | -65.8 | 0 | 0 | 0 | 113.2 | L242 N243 | L242-Y246 HydrophobicContact CB-CD2 4.4Å; L242-Y246 HydrophobicContact CB-CE2 4.02Å; L242-Y246 WeakPolarHBondContact O-CD2 3.49Å; L242-Y246 PolarHBondContact O-N 3.31Å; N243-Y246 PolarHBondContact O-N 2.99Å |
| 247 | K | 87.8 | Confident | 79.5 | Confident | 169 Ų | 169 | 117.3 Ų | 117.3 | 74% | 0.735 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -87.2 | -6.6 | 179.2 | -68 | 176.3 | -177.9 | 176.6 | 0 | 113.4 | N243 M244 I245 | N243-K247 WeakPolarHBondContact O-CB 3.33Å; N243-K247 WeakPolarHBondContact O-CG 3.39Å; N243-K247 PolarHBondContact O-N 3.13Å; M244-K247 PolarHBondContact O-N 3.27Å; I245-K247 VanDerWaalsContact C-N 3.29Å; I245-K247 PolarHBondContact O-N 3.48Å |
| 248 | A | 84.1 | Confident | 79.1 | Confident | 55 Ų | 55 | 121.7 Ų | 121.7 | 46% | 0.455 | 61% | 0.605 | S | S | . | * | trans | -62.2 | 123.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M244 I245 | M244-A248 WeakPolarHBondContact O-CB 3.4Å; M244-A248 PolarHBondContact O-N 3.03Å; I245-A248 WeakPolarHBondContact O-CB 3.01Å; I245-A248 PolarHBondContact O-N 3.35Å | ||
| 249 | P | 84 | Confident | 78.7 | Confident | 61 Ų | 61 | 120.8 Ų | 120.8 | 40% | 0.396 | 59% | 0.589 | S | S | . | * | trans | -73 | 165.6 | 177.8 | 33.3 | -36.9 | 0 | 0 | 0 | 110.4 | C251 Y254 | P249-C251 PolarHBondContact O-N 3.05Å; P249-Y254 HydrophobicContact CB-CE2 3.97Å; P249-Y254 HydrophobicContact CG-CE2 4.35Å | ||
| 250 | L | 84.2 | Confident | 78.3 | Confident | 134 Ų | 134 | 116.4 Ų | 116.4 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | trans | -57.4 | 107 | 174.2 | -69.5 | 174.4 | 0 | 0 | 0 | 111.3 | R252 M253 Y254 | L250-R252 PolarHBondContact O-N 3.06Å; L250-R252 VanDerWaalsContact O-N 3.07Å; L250-M253 HydrophobicContact CB-CG 4.19Å; L250-M253 HydrophobicContact CD1-CG 4.31Å; L250-M253 PolarHBondContact O-N 3.44Å; L250-Y254 WeakPolarHBondContact O-CD2 3.33Å | ||
| 251 | C | 80.1 | Confident | 77.6 | Confident | 70 Ų | 70 | 121.2 Ų | 121.2 | 47% | 0.473 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.2 | -20.1 | -176.8 | -42.7 | 0 | 0 | 0 | 0 | 113.4 | R226 Y227 P249 | R226-C251 PolarHBondContact NH2-O 3.32Å; Y227-C251 VanDerWaalsContact OH-CB 3.28Å; Y227-C251 WeakPolarHBondContact OH-CB 3.09Å; Y227-C251 PolarHBondContact OH-SG 3.21Å; P249-C251 PolarHBondContact O-N 3.05Å |
| 252 | R | 76.4 | Confident | 77 | Confident | 238 Ų | 238 | 123.4 Ų | 123.4 | 90% | 0.898 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -28 | -174.3 | -170.1 | 176.4 | -179.8 | -179.1 | -0 | 114.1 | L250 | L250-R252 PolarHBondContact O-N 3.06Å; L250-R252 VanDerWaalsContact O-N 3.07Å |
| 253 | M | 64.7 | Low | 76 | Confident | 145 Ų | 145 | 124.9 Ų | 124.9 | 71% | 0.714 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -29.7 | -168.5 | -69.8 | -67.1 | -75.2 | 0 | 0 | 113 | L250 K255 | L250-M253 HydrophobicContact CB-CG 4.19Å; L250-M253 HydrophobicContact CD1-CG 4.31Å; L250-M253 PolarHBondContact O-N 3.44Å; M253-K255 PolarHBondContact O-N 3.48Å; M253-K255 VanDerWaalsContact O-N 3.16Å |
| 254 | Y | 55.1 | Low | 75 | Confident | 149 Ų | 149 | 127.1 Ų | 127.1 | 58% | 0.584 | 62% | 0.617 | S | S | * | * | trans | -82.2 | 98.5 | 177.8 | -54.8 | -90 | 0 | 0 | 0 | 108.8 | R226 P249 L250 | R226-Y254 PolarHBondContact NH2-O 2.93Å; P249-Y254 HydrophobicContact CB-CE2 3.97Å; P249-Y254 HydrophobicContact CG-CE2 4.35Å; L250-Y254 WeakPolarHBondContact O-CD2 3.33Å | ||
| 255 | K | 51 | Low | 74.2 | Confident | 189 Ų | 189 | 134.5 Ų | 134.5 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -74.6 | 131.7 | 156.9 | -68.4 | -178.9 | 179.4 | 176.9 | 0 | 106.4 | M253 | M253-K255 PolarHBondContact O-N 3.48Å; M253-K255 VanDerWaalsContact O-N 3.16Å | ||
| 256 | C | 46.2 | Very low | 73.1 | Confident | 130 Ų | 130 | 138.9 Ų | 138.9 | 88% | 0.878 | 67% | 0.672 | S | S | * | * | trans | -54.8 | 0 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L156 | L156-C256 PolarHBondContact O-SG 2.91Š|
Retrieved 256 of 256 residues in 224 ms
(Link to these results)