A0A077ZM17_TRITR Loading...

PGM PMM III and PGM PMM IV and PGM PMM II and PGM PMM I domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 aa.

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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
1M66.1Low88Confident171 Ų17159.7 Ų59.784%0.84229%0.292SS*.  0122.10-142.7176.2-93.100107.9K3 E131 A132M1-K3 PolarHBondContact O-N 3Å; M1-E131 HydrophobicContact CG-CB 4.17Å; M1-E131 WeakPolarHBondContact CG-O 3.42Å; M1-E131 VanDerWaalsContact SD-C 3.57Å; M1-E131 HydrophobicContact SD-CB 3.94Å; M1-A132 HydrophobicContact CE-CB 3.5Å; M1-A132 WeakPolarHBondContact SD-CA 3.44Å; M1-A132 HydrophobicContact SD-CB 3.99Å; M1-A132 PolarHBondContact SD-N 2.8Å; M1-A132 VanDerWaalsContact SD-N 3.45Å
2K81.9Confident88.6Confident131 Ų13154.8 Ų54.857%0.5727%0.267SS*.  trans-76.5118.3177.3-173.1-175.9-179.3-169.10107.5L4 E18K2-L4 PolarHBondContact O-N 3.43Å; K2-E18 PolarHBondContact NZ-O 2.94Å
3K92.5Very high89.1Confident155 Ų15552.4 Ų52.467%0.67425%0.254SS*.  trans-63.9128.8176.7-172.1177.3-177.6179.20109.4M1 E131M1-K3 PolarHBondContact O-N 3Å; K3-E131 WeakPolarHBondContact CA-OE1 3.45Å
4L95.8Very high89.5Confident5 Ų548.6 Ų48.63%0.02624%0.236CC..  trans-89.1106.1176.7-65.6178.9000108.6K2 C6 F7 I24 Q127 A130 E131K2-L4 PolarHBondContact O-N 3.43Å; L4-C6 VanDerWaalsContact C-N 3.28Å; L4-C6 PolarHBondContact O-N 2.68Å; L4-F7 HydrophobicContact CB-CD2 3.9Å; L4-F7 HydrophobicContact CB-CE2 4.06Å; L4-F7 HydrophobicContact CD1-CE2 3.86Å; L4-I24 HydrophobicContact CD1-CG2 4.37Å; L4-I24 HydrophobicContact CD2-CD1 3.94Å; L4-I24 HydrophobicContact CD2-CG1 4.03Å; L4-I24 HydrophobicContact CD2-CG2 4.24Å; L4-Q127 PolarHBondContact O-NE2 3.48Å; L4-Q127 VanDerWaalsContact O-NE2 3.08Å; L4-A130 HydrophobicContact CD1-CB 3.91Å; L4-E131 HydrophobicContact CB-CG 3.94Å; L4-E131 HydrophobicContact CD1-CG 3.98Å; L4-E131 HydrophobicContact CG-CG 3.7Å; L4-E131 PolarHBondContact N-OE1 3.24Å
5T94.2Very high89.9Confident68 Ų6851.1 Ų51.142%0.41725%0.245SC..THydrogen-bonded Turntrans-80.3-9.5-176.452.10000113.6F7 K8 E19T5-F7 VanDerWaalsContact C-N 3.31Å; T5-F7 PolarHBondContact O-N 3.35Å; T5-K8 PolarHBondContact O-NZ 3.18Å; T5-E19 WeakPolarHBondContact CB-OE1 3.44Å; T5-E19 PolarHBondContact OG1-OE1 3.26Å
6C94.9Very high90.4Very high0 Ų050.8 Ų50.80%025%0.245CC..THydrogen-bonded Turntrans-71.9-20.2179.657.40000113.6L4 K8 I12 R13 E19L4-C6 VanDerWaalsContact C-N 3.28Å; L4-C6 PolarHBondContact O-N 2.68Å; C6-K8 PolarHBondContact O-N 2.76Å; C6-I12 HydrophobicContact CB-CG2 3.85Å; C6-I12 CarbonylContact O-C 3.49Å; C6-I12 VanDerWaalsContact O-CA 3.32Å; C6-I12 WeakPolarHBondContact O-CA 3.24Å; C6-R13 CarbonylContact C-O 3.52Å; C6-R13 WeakPolarHBondContact CA-O 3.39Å; C6-R13 PolarHBondContact O-N 2.7Å; C6-R13 VanDerWaalsContact O-O 3.11Å; C6-E19 HydrophobicContact CB-CB 4.35Å; C6-E19 WeakPolarHBondContact CB-O 3.32Å; C6-E19 PolarHBondContact SG-O 3.35Å
7F94.8Very high90.7Very high6 Ų650.9 Ų50.93%0.02626%0.262CS..BIsolated β-bridgetrans-75105.3176.5-73.8-99000111.7L4 T5 I12 I28 L123 R124 V126 Q127 A130L4-F7 HydrophobicContact CB-CD2 3.9Å; L4-F7 HydrophobicContact CB-CE2 4.06Å; L4-F7 HydrophobicContact CD1-CE2 3.86Å; T5-F7 VanDerWaalsContact C-N 3.31Å; T5-F7 PolarHBondContact O-N 3.35Å; F7-I12 HydrophobicContact CD1-CD1 4.05Å; F7-I12 HydrophobicContact CD1-CG1 3.93Å; F7-I12 HydrophobicContact CE1-CD1 3.6Å; F7-I12 HydrophobicContact CE1-CG1 4.03Å; F7-I12 HydrophobicContact CE2-CD1 4.47Å; F7-I12 HydrophobicContact CG-CG1 4.39Å; F7-I12 HydrophobicContact CZ-CD1 3.86Å; F7-I28 HydrophobicContact CE2-CD1 4.49Å; F7-I28 HydrophobicContact CE2-CG1 4.13Å; F7-I28 HydrophobicContact CZ-CD1 4.42Å; F7-I28 HydrophobicContact CZ-CG1 3.76Å; F7-L123 HydrophobicContact CD1-CD1 3.72Å; F7-L123 HydrophobicContact CD1-CG 3.91Å; F7-L123 HydrophobicContact CE1-CD1 3.89Å; F7-L123 HydrophobicContact CE1-CG 4.49Å; F7-R124 PolarHBondContact O-NH1 3.44Å; F7-V126 HydrophobicContact CE1-CB 4.39Å; F7-V126 HydrophobicContact CE1-CG1 4.05Å; F7-V126 HydrophobicContact CZ-CG1 4.29Å; F7-Q127 HydrophobicContact CB-CB 4.21Å; F7-Q127 HydrophobicContact CB-CG 4.03Å; F7-Q127 HydrophobicContact CD1-CB 3.57Å; F7-Q127 HydrophobicContact CD1-CG 4.16Å; F7-Q127 HydrophobicContact CD2-CB 3.96Å; F7-Q127 HydrophobicContact CD2-CG 3.66Å; F7-Q127 HydrophobicContact CE1-CB 3.75Å; F7-Q127 HydrophobicContact CE2-CB 4.14Å; F7-Q127 HydrophobicContact CE2-CG 4.08Å; F7-Q127 HydrophobicContact CG-CB 3.65Å; F7-Q127 HydrophobicContact CG-CG 3.69Å; F7-Q127 HydrophobicContact CZ-CB 4.02Å; F7-Q127 HydrophobicContact CZ-CG 4.47Å; F7-A130 HydrophobicContact CZ-CB 4.25Å
8K89.8Confident90.7Very high57 Ų5755.7 Ų55.725%0.24828%0.283CS..  trans-92.3-160.6178.6-52.1-51.4-177.3-165.30110.7T5 C6 D11 R13 R124T5-K8 PolarHBondContact O-NZ 3.18Å; C6-K8 PolarHBondContact O-N 2.76Å; K8-D11 WeakPolarHBondContact CB-O 3.24Å; K8-D11 PolarHBondContact N-O 3.49Å; K8-R13 WeakPolarHBondContact CE-O 3.31Å; K8-R13 HydrophobicContact CG-CB 3.99Å; K8-R13 HydrophobicContact CG-CG 4.37Å; K8-R124 PolarHBondContact O-NH2 2.72Å
9A83.7Confident91Very high33 Ų3354.9 Ų54.927%0.27328%0.278SS..SBendtrans-74.2-39.3-178.100000112.8G119A9-G119 PolarHBondContact O-N 3.05Å
10Y82.8Confident91.4Very high24 Ų2452.2 Ų52.29%0.09426%0.264CS..SBendtrans-125.4-8.4-170.7-40.1-53.6000114.2T309 H311 A312 F313 N425Y10-T309 PolarHBondContact OH-O 3.07Å; Y10-H311 VanDerWaalsContact CB-NE2 3.28Å; Y10-H311 WeakPolarHBondContact CB-NE2 3.25Å; Y10-H311 PolarHBondContact O-NE2 3.14Å; Y10-A312 HydrophobicContact CD1-CB 3.86Å; Y10-A312 HydrophobicContact CE1-CB 4.49Å; Y10-A312 HydrophobicContact CG-CB 4.36Å; Y10-F313 AromaticContact CE1-CD2 3.91Å; Y10-F313 HydrophobicContact CE1-CD2 3.91Å; Y10-F313 AromaticContact CE1-CE2 3.44Å; Y10-F313 HydrophobicContact CE1-CE2 3.44Å; Y10-F313 VanDerWaalsContact CE1-CE2 3.44Å; Y10-F313 AromaticContact CE1-CZ 3.85Å; Y10-F313 HydrophobicContact CE1-CZ 3.85Å; Y10-F313 AromaticContact CZ-CD2 3.92Å; Y10-F313 AromaticContact CZ-CE2 3.58Å; Y10-F313 WeakPolarHBondContact OH-CD2 3.39Å; Y10-F313 WeakPolarHBondContact OH-CE2 3.43Å; Y10-N425 PolarHBondContact OH-ND2 2.96Å
11D91.1Very high91.7Very high7 Ų752 Ų524%0.03726%0.264CS..SBendtrans-158.8178.9-174.461.86.2000110.6K8 R13 M107 K108K8-D11 WeakPolarHBondContact CB-O 3.24Å; K8-D11 PolarHBondContact N-O 3.49Å; D11-R13 WeakPolarHBondContact OD1-CG 3.44Å; D11-R13 IonicContact OD2-CZ 3Å; D11-R13 IonicContact OD2-NE 3.12Å; D11-R13 PolarHBondContact OD2-NE 2.9Å; D11-R13 IonicContact OD2-NH2 3.15Å; D11-R13 PolarHBondContact OD2-NH2 3.42Å; D11-M107 WeakPolarHBondContact CB-O 3.33Å; D11-K108 HydrophobicContact CB-CG 4.34Å
12I95.4Very high93.2Very high0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-104.7125.1170.1-57.1177.8000107.1C6 F7 I28 G106 M107 L109 L123C6-I12 HydrophobicContact CB-CG2 3.85Å; C6-I12 CarbonylContact O-C 3.49Å; C6-I12 VanDerWaalsContact O-CA 3.32Å; C6-I12 WeakPolarHBondContact O-CA 3.24Å; F7-I12 HydrophobicContact CD1-CD1 4.05Å; F7-I12 HydrophobicContact CD1-CG1 3.93Å; F7-I12 HydrophobicContact CE1-CD1 3.6Å; F7-I12 HydrophobicContact CE1-CG1 4.03Å; F7-I12 HydrophobicContact CE2-CD1 4.47Å; F7-I12 HydrophobicContact CG-CG1 4.39Å; F7-I12 HydrophobicContact CZ-CD1 3.86Å; I12-I28 HydrophobicContact CD1-CD1 3.7Å; I12-I28 HydrophobicContact CD1-CG1 3.99Å; I12-I28 HydrophobicContact CD1-CG2 3.68Å; I12-I28 HydrophobicContact CG2-CD1 4.15Å; I12-G106 CarbonylContact O-C 3.54Å; I12-G106 WeakPolarHBondContact O-CA 3.34Å; I12-M107 HydrophobicContact CB-CB 4.15Å; I12-M107 HydrophobicContact CD1-CB 4.44Å; I12-M107 HydrophobicContact CD1-SD 4.38Å; I12-M107 PolarHBondContact N-O 2.84Å; I12-M107 PolarHBondContact O-N 3.45Å; I12-L109 HydrophobicContact CD1-CD1 3.92Å; I12-L109 HydrophobicContact CG1-CD1 3.99Å; I12-L123 HydrophobicContact CD1-CD1 4.31Å; I12-L123 HydrophobicContact CG1-CD1 4.04Å
13R95.3Very high94Very high24 Ų2446.6 Ų46.69%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-143126.2178.6-62.8-104.9-168.9160.6-4108.9C6 K8 D11 N100C6-R13 CarbonylContact C-O 3.52Å; C6-R13 WeakPolarHBondContact CA-O 3.39Å; C6-R13 PolarHBondContact O-N 2.7Å; C6-R13 VanDerWaalsContact O-O 3.11Å; K8-R13 WeakPolarHBondContact CE-O 3.31Å; K8-R13 HydrophobicContact CG-CB 3.99Å; K8-R13 HydrophobicContact CG-CG 4.37Å; D11-R13 WeakPolarHBondContact OD1-CG 3.44Å; D11-R13 IonicContact OD2-CZ 3Å; D11-R13 IonicContact OD2-NE 3.12Å; D11-R13 PolarHBondContact OD2-NE 2.9Å; D11-R13 IonicContact OD2-NH2 3.15Å; D11-R13 PolarHBondContact OD2-NH2 3.42Å; R13-N100 PolarHBondContact NH1-OD1 3.31Å
14G94.9Very high94.3Very high0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-158.7157.5179.500000113.8E19 Y104 N105G14-E19 WeakPolarHBondContact CA-OE2 3.19Å; G14-Y104 VanDerWaalsContact C-CD1 3.45Å; G14-Y104 WeakPolarHBondContact O-CA 3.33Å; G14-N105 PolarHBondContact N-O 3.03Å; G14-N105 PolarHBondContact O-N 3.36Å; G14-N105 VanDerWaalsContact O-N 3.11Å
15K95.9Very high94.4Very high86 Ų8639.2 Ų39.237%0.37421%0.209SC..EExtended strand (participates in β ladder)trans-65.5133.6170.3-173.7169.4176.7141.40110.5E19 L20 D103 Y104K15-E19 HydrophobicContact CB-CG 4.27Å; K15-E19 PolarHBondContact N-OE2 3.45Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 PolarHBondContact O-N 3.47Å; K15-L20 PolarHBondContact O-N 3.4Å; K15-D103 CarbonylContact C-O 3.57Å; K15-D103 WeakPolarHBondContact CA-O 3.34Å; K15-D103 WeakPolarHBondContact CE-OD2 3.16Å; K15-D103 IonicContact NZ-OD2 3.31Å; K15-D103 PolarHBondContact NZ-OD2 3.17Å; K15-Y104 HydrophobicContact CB-CE1 4.21Å; K15-Y104 HydrophobicContact CB-CE2 4.32Å; K15-Y104 HydrophobicContact CG-CE2 4.48Å
16L97.2Very high94.6Very high46 Ų4638.6 Ų38.624%0.24120%0.199CC..BIsolated β-bridgetrans-63145.2-179.2-70.1166.1000111.5E18 L20 T50 L54 D103 N105L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 3.43Å; L16-E18 VanDerWaalsContact O-N 3.15Å; L16-L20 CarbonylContact C-O 3.48Å; L16-L20 WeakPolarHBondContact CA-O 3.39Å; L16-T50 HydrophobicContact CD1-CG2 3.9Å; L16-T50 HydrophobicContact CD2-CG2 4.4Å; L16-L54 HydrophobicContact CD2-CD1 3.99Å; L16-D103 PolarHBondContact N-O 3.07Å; L16-N105 HydrophobicContact CD2-CB 3.81Å; L16-N105 HydrophobicContact CG-CB 4.37Å
17G95.6Very high94.8Very high52 Ų5239.8 Ų39.854%0.53620%0.204SC..THydrogen-bonded Turntrans85.3-62.4-177.100000112.5L20 N21G17-L20 PolarHBondContact N-O 3.33Å; G17-N21 PolarHBondContact O-ND2 3.41Å
18E91Very high94.9Very high138 Ų13839.5 Ų39.565%0.64520%0.202SC*.THydrogen-bonded Turntrans-83.4-50.6-173.2-175.5177.1-175.400113.8K2 L16K2-E18 PolarHBondContact NZ-O 2.94Å; L16-E18 VanDerWaalsContact C-N 3.31Å; L16-E18 PolarHBondContact O-N 3.43Å; L16-E18 VanDerWaalsContact O-N 3.15Å
19E96.3Very high95.4Very high41 Ų4136.8 Ų36.819%0.19219%0.191CC..THydrogen-bonded Turntrans-98.1-27.8-174.6-53.8-169.8118.500112.5T5 C6 G14 K15 I24T5-E19 WeakPolarHBondContact CB-OE1 3.44Å; T5-E19 PolarHBondContact OG1-OE1 3.26Å; C6-E19 HydrophobicContact CB-CB 4.35Å; C6-E19 WeakPolarHBondContact CB-O 3.32Å; C6-E19 PolarHBondContact SG-O 3.35Å; G14-E19 WeakPolarHBondContact CA-OE2 3.19Å; K15-E19 HydrophobicContact CB-CG 4.27Å; K15-E19 PolarHBondContact N-OE2 3.45Å; K15-E19 WeakPolarHBondContact O-CB 3.46Å; K15-E19 PolarHBondContact O-N 3.47Å; E19-I24 WeakPolarHBondContact O-CD1 3.3Å
20L98.1Very high96Very high0 Ų035.5 Ų35.50%018%0.179CC..BIsolated β-bridgetrans-142.5127.9177.8-171.863.1000110.7K15 L16 G17 I24 I28 L54 N105 M107K15-L20 PolarHBondContact O-N 3.4Å; L16-L20 CarbonylContact C-O 3.48Å; L16-L20 WeakPolarHBondContact CA-O 3.39Å; G17-L20 PolarHBondContact N-O 3.33Å; L20-I24 HydrophobicContact CD1-CG2 4.01Å; L20-I28 HydrophobicContact CD1-CD1 4.17Å; L20-L54 HydrophobicContact CD2-CD1 4.18Å; L20-L54 HydrophobicContact CG-CD1 4.44Å; L20-L54 HydrophobicContact CG-CD2 4.37Å; L20-N105 VanDerWaalsContact CD2-C 3.45Å; L20-N105 HydrophobicContact CD2-CB 4.01Å; L20-N105 WeakPolarHBondContact CD2-O 3.47Å; L20-M107 HydrophobicContact CD1-CE 4.46Å
21N98Very high96.8Very high48 Ų4834.4 Ų34.426%0.25717%0.174SC..  trans-156.3179.8177.159.246.6000108.8G17 D23 I24 A25G17-N21 PolarHBondContact O-ND2 3.41Å; N21-D23 PolarHBondContact O-N 3.34Å; N21-D23 WeakPolarHBondContact OD1-CB 3.33Å; N21-D23 PolarHBondContact OD1-N 3.08Å; N21-D23 VanDerWaalsContact OD1-N 3.13Å; N21-I24 PolarHBondContact O-N 3.15Å; N21-I24 WeakPolarHBondContact OD1-CG1 3.2Å; N21-I24 PolarHBondContact OD1-N 3.35Å; N21-A25 WeakPolarHBondContact O-CB 3.28Å; N21-A25 PolarHBondContact O-N 2.83Å
22E98.6Very high97.1Very high108 Ų10834.1 Ų34.151%0.50517%0.173SC..Hα-helixtrans-61.5-37.4-177-68.1172.8-155.400113.6A25 W26 T53 A57E22-A25 PolarHBondContact O-N 3.23Å; E22-W26 WeakPolarHBondContact O-CB 3.49Å; E22-W26 PolarHBondContact O-N 2.85Å; E22-T53 WeakPolarHBondContact OE1-CB 3.27Å; E22-T53 PolarHBondContact OE1-OG1 2.9Å; E22-A57 HydrophobicContact CB-CB 3.86Å; E22-A57 HydrophobicContact CG-CB 4.19Å; E22-A57 WeakPolarHBondContact O-CB 3.44Å
23D98.1Very high97.2Very high81 Ų8134.2 Ų34.243%0.43317%0.174SC..Hα-helixtrans-62.2-48.5174.5172.475.5000110.8N21 A25 W26 R27N21-D23 PolarHBondContact O-N 3.34Å; N21-D23 WeakPolarHBondContact OD1-CB 3.33Å; N21-D23 PolarHBondContact OD1-N 3.08Å; N21-D23 VanDerWaalsContact OD1-N 3.13Å; D23-A25 VanDerWaalsContact C-N 3.32Å; D23-A25 PolarHBondContact O-N 3.41Å; D23-W26 PolarHBondContact O-N 2.85Å; D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.47Å; D23-R27 PolarHBondContact O-N 3.09Å; D23-R27 VanDerWaalsContact OD2-CD 3.27Å; D23-R27 WeakPolarHBondContact OD2-CD 3.15Å; D23-R27 IonicContact OD2-NH1 3.73Å; D23-R27 PolarHBondContact OD2-NH1 2.59Å
24I98.2Very high97.2Very high4 Ų435.6 Ų35.62%0.02118%0.181CC..Hα-helixtrans-63-40.9178.4-65.1171.6000110.4L4 E19 L20 N21 R27 I28L4-I24 HydrophobicContact CD1-CG2 4.37Å; L4-I24 HydrophobicContact CD2-CD1 3.94Å; L4-I24 HydrophobicContact CD2-CG1 4.03Å; L4-I24 HydrophobicContact CD2-CG2 4.24Å; E19-I24 WeakPolarHBondContact O-CD1 3.3Å; L20-I24 HydrophobicContact CD1-CG2 4.01Å; N21-I24 PolarHBondContact O-N 3.15Å; N21-I24 WeakPolarHBondContact OD1-CG1 3.2Å; N21-I24 PolarHBondContact OD1-N 3.35Å; I24-R27 PolarHBondContact O-N 3.18Å; I24-I28 HydrophobicContact CG2-CD1 3.83Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 WeakPolarHBondContact O-CD1 3.26Å; I24-I28 VanDerWaalsContact O-CG1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.11Å; I24-I28 PolarHBondContact O-N 3.34Å
25A98.7Very high97.2Very high0 Ų039.5 Ų39.50%020%0.198CC..Hα-helixtrans-61.9-45.2176.100000112.3N21 E22 D23 R27 I28 G29 L54 A57 L58 M107N21-A25 WeakPolarHBondContact O-CB 3.28Å; N21-A25 PolarHBondContact O-N 2.83Å; E22-A25 PolarHBondContact O-N 3.23Å; D23-A25 VanDerWaalsContact C-N 3.32Å; D23-A25 PolarHBondContact O-N 3.41Å; A25-R27 VanDerWaalsContact C-N 3.35Å; A25-R27 PolarHBondContact O-N 2.94Å; A25-I28 PolarHBondContact O-N 2.81Å; A25-G29 PolarHBondContact O-N 3.3Å; A25-L54 HydrophobicContact CB-CD2 4.06Å; A25-A57 HydrophobicContact CB-CB 4.08Å; A25-L58 HydrophobicContact CB-CB 4.44Å; A25-L58 WeakPolarHBondContact O-CD1 3.27Å; A25-M107 HydrophobicContact CB-CE 3.6Å
26W98.6Very high97.2Very high56 Ų5638 Ų3821%0.21219%0.194CC..Hα-helixtrans-59.3-45.2173.3175.686.9000111.5E22 D23 I28 G29 R30 A57 G61 D64 F135E22-W26 WeakPolarHBondContact O-CB 3.49Å; E22-W26 PolarHBondContact O-N 2.85Å; D23-W26 PolarHBondContact O-N 2.85Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 2.96Å; W26-G29 PolarHBondContact O-N 2.95Å; W26-R30 HydrophobicContact CH2-CG 4.23Å; W26-R30 HydrophobicContact CZ2-CB 4.5Å; W26-R30 HydrophobicContact CZ2-CG 4.31Å; W26-R30 WeakPolarHBondContact O-CB 3.44Å; W26-R30 PolarHBondContact O-N 2.87Å; W26-A57 WeakPolarHBondContact CA-O 3.4Å; W26-G61 VanDerWaalsContact CD1-N 3.27Å; W26-G61 WeakPolarHBondContact O-CA 3.3Å; W26-D64 PolarHBondContact NE1-OD2 2.92Å; W26-F135 HydrophobicContact CH2-CD2 4.14Å; W26-F135 HydrophobicContact CH2-CE2 4.5Å; W26-F135 HydrophobicContact CZ3-CD2 4.29Å; W26-F135 HydrophobicContact CZ3-CE2 4.26Å
27R98.2Very high97.2Very high25 Ų2543.4 Ų43.49%0.09422%0.216CC..Hα-helixtrans-61.5-39.3177.2-69.7166.564-179.53.9112.5D23 I24 A25 A31 A130 E131D23-R27 VanDerWaalsContact O-CG 3.25Å; D23-R27 WeakPolarHBondContact O-CG 3.47Å; D23-R27 PolarHBondContact O-N 3.09Å; D23-R27 VanDerWaalsContact OD2-CD 3.27Å; D23-R27 WeakPolarHBondContact OD2-CD 3.15Å; D23-R27 IonicContact OD2-NH1 3.73Å; D23-R27 PolarHBondContact OD2-NH1 2.59Å; I24-R27 PolarHBondContact O-N 3.18Å; A25-R27 VanDerWaalsContact C-N 3.35Å; A25-R27 PolarHBondContact O-N 2.94Å; R27-A31 WeakPolarHBondContact O-CB 3.49Å; R27-A31 PolarHBondContact O-N 2.84Å; R27-A130 HydrophobicContact CB-CB 4.26Å; R27-A130 PolarHBondContact NE-O 3.28Å; R27-A130 PolarHBondContact NH2-O 3.37Å; R27-E131 PolarHBondContact NH2-O 2.94Å
28I98.4Very high97.3Very high0 Ų041.6 Ų41.60%019%0.194CC..Hα-helixtrans-61.7-48.7174.9-70.3158.9000109.9F7 I12 L20 I24 A25 W26 R30 A31 Y32 L58 M107F7-I28 HydrophobicContact CE2-CD1 4.49Å; F7-I28 HydrophobicContact CE2-CG1 4.13Å; F7-I28 HydrophobicContact CZ-CD1 4.42Å; F7-I28 HydrophobicContact CZ-CG1 3.76Å; I12-I28 HydrophobicContact CD1-CD1 3.7Å; I12-I28 HydrophobicContact CD1-CG1 3.99Å; I12-I28 HydrophobicContact CD1-CG2 3.68Å; I12-I28 HydrophobicContact CG2-CD1 4.15Å; L20-I28 HydrophobicContact CD1-CD1 4.17Å; I24-I28 HydrophobicContact CG2-CD1 3.83Å; I24-I28 HydrophobicContact CG2-CG1 4.42Å; I24-I28 WeakPolarHBondContact O-CD1 3.26Å; I24-I28 VanDerWaalsContact O-CG1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.11Å; I24-I28 PolarHBondContact O-N 3.34Å; A25-I28 PolarHBondContact O-N 2.81Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 2.96Å; I28-R30 PolarHBondContact O-N 2.94Å; I28-A31 PolarHBondContact O-N 2.91Å; I28-Y32 VanDerWaalsContact O-CB 3.26Å; I28-Y32 WeakPolarHBondContact O-CB 3.31Å; I28-Y32 PolarHBondContact O-N 3.25Å; I28-L58 HydrophobicContact CB-CD1 4.27Å; I28-L58 HydrophobicContact CG2-CD1 3.97Å; I28-M107 HydrophobicContact CB-SD 4.41Å; I28-M107 HydrophobicContact CD1-CE 4.33Å; I28-M107 HydrophobicContact CD1-SD 3.93Å; I28-M107 HydrophobicContact CG2-SD 3.9Å
29G98.5Very high97.6Very high0 Ų042.6 Ų42.60%020%0.196CC..Hα-helixtrans-62.3-43.5179.600000112.6A25 W26 Y32 G33 L58 L62A25-G29 PolarHBondContact O-N 3.3Å; W26-G29 PolarHBondContact O-N 2.95Å; G29-Y32 PolarHBondContact O-N 3.38Å; G29-G33 PolarHBondContact O-N 3.48Å; G29-L58 VanDerWaalsContact CA-CD1 3.41Å; G29-L58 VanDerWaalsContact N-CD1 3.35Å; G29-L62 WeakPolarHBondContact O-CD2 3.32Å
30R98.2Very high97.7Very high6 Ų642.2 Ų42.22%0.02320%0.197CC..Hα-helixtrans-61.1-48.6176-174.465.3177.2150.55.6111.3W26 I28 Y32 G33 E34 G61 D64 F135 P136W26-R30 HydrophobicContact CH2-CG 4.23Å; W26-R30 HydrophobicContact CZ2-CB 4.5Å; W26-R30 HydrophobicContact CZ2-CG 4.31Å; W26-R30 WeakPolarHBondContact O-CB 3.44Å; W26-R30 PolarHBondContact O-N 2.87Å; I28-R30 PolarHBondContact O-N 2.94Å; R30-Y32 PolarHBondContact O-N 2.73Å; R30-G33 PolarHBondContact O-N 3.47Å; R30-E34 IonicContact CZ-OE1 3.44Å; R30-E34 IonicContact NE-OE1 2.73Å; R30-E34 IonicContact NH1-OE1 3.92Å; R30-E34 PolarHBondContact NH1-OE1 2.83Å; R30-E34 VanDerWaalsContact NH1-OE1 3.15Å; R30-E34 IonicContact NH2-OE1 2.81Å; R30-E34 PolarHBondContact NH2-OE1 2.98Å; R30-E34 WeakPolarHBondContact O-CB 3.33Å; R30-E34 VanDerWaalsContact O-CG 3.27Å; R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 2.98Å; R30-G61 VanDerWaalsContact CA-O 3.3Å; R30-G61 WeakPolarHBondContact CA-O 3.47Å; R30-G61 PolarHBondContact N-O 3.47Å; R30-D64 PolarHBondContact NH1-O 2.85Å; R30-F135 HydrophobicContact CB-CD2 4.28Å; R30-F135 HydrophobicContact CB-CE1 4.27Å; R30-F135 HydrophobicContact CB-CE2 3.91Å; R30-F135 HydrophobicContact CB-CZ 3.9Å; R30-F135 HydrophobicContact CG-CB 4.08Å; R30-F135 HydrophobicContact CG-CD1 3.57Å; R30-F135 HydrophobicContact CG-CD2 3.38Å; R30-F135 HydrophobicContact CG-CE1 3.7Å; R30-F135 HydrophobicContact CG-CE2 3.5Å; R30-F135 HydrophobicContact CG-CG 3.39Å; R30-F135 HydrophobicContact CG-CZ 3.66Å; R30-P136 PolarHBondContact NH2-O 3.36Å
31A98Very high97.7Very high0 Ų042.2 Ų42.20%020%0.197CC..Hα-helixtrans-63.2-41.1177.400000113R27 I28 E34 F35 V126 L129 A130 F135R27-A31 WeakPolarHBondContact O-CB 3.49Å; R27-A31 PolarHBondContact O-N 2.84Å; I28-A31 PolarHBondContact O-N 2.91Å; A31-E34 PolarHBondContact O-N 3.42Å; A31-F35 VanDerWaalsContact O-CB 3.28Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 2.95Å; A31-V126 HydrophobicContact CB-CG1 3.88Å; A31-V126 WeakPolarHBondContact CB-O 3.28Å; A31-L129 HydrophobicContact CB-CB 3.72Å; A31-A130 HydrophobicContact CB-CB 3.9Å; A31-F135 HydrophobicContact CB-CE1 4.13Å; A31-F135 HydrophobicContact CB-CZ 4.05Å
32Y97.5Very high97.8Very high1 Ų140 Ų400%0.00419%0.185CC..Hα-helixtrans-60-50.1176.4-179.3-82.4000111I28 G29 R30 E34 F35 L36 P38 I41 L62 I93 L109 V110 I117I28-Y32 VanDerWaalsContact O-CB 3.26Å; I28-Y32 WeakPolarHBondContact O-CB 3.31Å; I28-Y32 PolarHBondContact O-N 3.25Å; G29-Y32 PolarHBondContact O-N 3.38Å; R30-Y32 PolarHBondContact O-N 2.73Å; Y32-E34 PolarHBondContact O-N 2.95Å; Y32-F35 PolarHBondContact O-N 3.46Å; Y32-L36 HydrophobicContact CD1-CD1 4.36Å; Y32-L36 HydrophobicContact CD2-CD1 3.7Å; Y32-L36 HydrophobicContact CE1-CD1 4.03Å; Y32-L36 HydrophobicContact CE2-CD1 3.33Å; Y32-L36 HydrophobicContact CG-CD1 4.2Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.46Å; Y32-L36 WeakPolarHBondContact O-CB 3.39Å; Y32-L36 PolarHBondContact O-N 2.86Å; Y32-P38 HydrophobicContact CD1-CG 4.19Å; Y32-P38 HydrophobicContact CE1-CG 3.74Å; Y32-I41 HydrophobicContact CD1-CD1 4.48Å; Y32-I41 HydrophobicContact CE1-CD1 3.99Å; Y32-I41 HydrophobicContact CE1-CG2 4.05Å; Y32-L62 HydrophobicContact CD1-CD2 3.49Å; Y32-L62 VanDerWaalsContact CD1-CD2 3.49Å; Y32-L62 HydrophobicContact CE1-CD2 4.22Å; Y32-L62 HydrophobicContact CG-CD2 4.2Å; Y32-I93 HydrophobicContact CD2-CD1 4.14Å; Y32-I93 HydrophobicContact CE2-CD1 4.21Å; Y32-I93 HydrophobicContact CE2-CG1 4.47Å; Y32-I93 HydrophobicContact CG-CD1 4.32Å; Y32-L109 HydrophobicContact CD2-CD2 3.59Å; Y32-L109 HydrophobicContact CE2-CB 4.45Å; Y32-L109 HydrophobicContact CE2-CD2 3.91Å; Y32-V110 PolarHBondContact OH-O 2.96Å; Y32-V110 VanDerWaalsContact OH-O 3.05Å; Y32-I117 HydrophobicContact CD2-CD1 4.41Å; Y32-I117 HydrophobicContact CE2-CD1 3.44Å; Y32-I117 VanDerWaalsContact CE2-CD1 3.44Å
33G97.4Very high97.8Very high2 Ų234.8 Ų34.82%0.02116%0.161CC..Hα-helixtrans-63-41178.800000113G29 R30 K37G29-G33 PolarHBondContact O-N 3.48Å; R30-G33 PolarHBondContact O-N 3.47Å; G33-K37 WeakPolarHBondContact O-CA 3.46Å; G33-K37 PolarHBondContact O-N 3.34Å
34E96Very high97.8Very high54 Ų5431 Ų3125%0.25214%0.14SC..Hα-helixtrans-70.3-38.6179.1-71.1-70.3173.500113.2R30 A31 Y32 K37 A65 F135R30-E34 IonicContact CZ-OE1 3.44Å; R30-E34 IonicContact NE-OE1 2.73Å; R30-E34 IonicContact NH1-OE1 3.92Å; R30-E34 PolarHBondContact NH1-OE1 2.83Å; R30-E34 VanDerWaalsContact NH1-OE1 3.15Å; R30-E34 IonicContact NH2-OE1 2.81Å; R30-E34 PolarHBondContact NH2-OE1 2.98Å; R30-E34 WeakPolarHBondContact O-CB 3.33Å; R30-E34 VanDerWaalsContact O-CG 3.27Å; R30-E34 WeakPolarHBondContact O-CG 3.34Å; R30-E34 PolarHBondContact O-N 2.98Å; A31-E34 PolarHBondContact O-N 3.42Å; Y32-E34 PolarHBondContact O-N 2.95Å; E34-K37 VanDerWaalsContact O-CE 3.23Å; E34-K37 WeakPolarHBondContact O-CE 3.32Å; E34-K37 WeakPolarHBondContact O-CG 3.39Å; E34-A65 HydrophobicContact CG-CB 4.42Å; E34-F135 HydrophobicContact CG-CD1 4.16Å
35F95.8Very high97.8Very high82 Ų8230.9 Ų30.936%0.3614%0.141SC..Hα-helixtrans-75.8-55-178.6-178.6-117000112.3A31 Y32 D125 V126 L129A31-F35 VanDerWaalsContact O-CB 3.28Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 2.95Å; Y32-F35 PolarHBondContact O-N 3.46Å; F35-D125 HydrophobicContact CD1-CB 4.08Å; F35-D125 HydrophobicContact CD2-CB 3.81Å; F35-D125 HydrophobicContact CE1-CB 3.75Å; F35-D125 HydrophobicContact CE2-CB 3.42Å; F35-D125 VanDerWaalsContact CE2-CB 3.42Å; F35-D125 HydrophobicContact CG-CB 4.13Å; F35-D125 HydrophobicContact CZ-CB 3.4Å; F35-V126 HydrophobicContact CB-CG2 4.42Å; F35-V126 HydrophobicContact CD1-CG2 4.07Å; F35-L129 HydrophobicContact CB-CD1 3.75Å; F35-L129 HydrophobicContact CD2-CD1 4.48Å; F35-L129 HydrophobicContact CG-CD1 4.5Å
36L95.5Very high97.8Very high54 Ų5431.3 Ų31.328%0.28314%0.143SC..Hα-helixtrans-84.7-23.1-173.6-65.7172.6000112.6Y32 P38 I117Y32-L36 HydrophobicContact CD1-CD1 4.36Å; Y32-L36 HydrophobicContact CD2-CD1 3.7Å; Y32-L36 HydrophobicContact CE1-CD1 4.03Å; Y32-L36 HydrophobicContact CE2-CD1 3.33Å; Y32-L36 HydrophobicContact CG-CD1 4.2Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.46Å; Y32-L36 WeakPolarHBondContact O-CB 3.39Å; Y32-L36 PolarHBondContact O-N 2.86Å; L36-P38 VanDerWaalsContact C-CD 3.41Å; L36-I117 HydrophobicContact CD1-CD1 3.55Å
37K96.2Very high97.8Very high160 Ų16029.4 Ų29.470%0.69614%0.138SC*.  trans49.846.3-177.3-56.5-177.5179.1-179.20114.4G33 E34G33-K37 WeakPolarHBondContact O-CA 3.46Å; G33-K37 PolarHBondContact O-N 3.34Å; E34-K37 VanDerWaalsContact O-CE 3.23Å; E34-K37 WeakPolarHBondContact O-CE 3.32Å; E34-K37 WeakPolarHBondContact O-CG 3.39Å
38P97.3Very high97.8Very high13 Ų1328.8 Ų28.88%0.08414%0.135CC..  trans-68.5151.3174.731.2-31.1000110Y32 L36 I41 V67 D90Y32-P38 HydrophobicContact CD1-CG 4.19Å; Y32-P38 HydrophobicContact CE1-CG 3.74Å; L36-P38 VanDerWaalsContact C-CD 3.41Å; P38-I41 HydrophobicContact CB-CG2 3.71Å; P38-I41 HydrophobicContact CG-CG2 3.83Å; P38-V67 HydrophobicContact CB-CG1 4.42Å; P38-V67 HydrophobicContact CG-CG1 3.85Å; P38-V67 HydrophobicContact CG-CG2 3.85Å; P38-D90 HydrophobicContact CB-CB 3.5Å
39K98.2Very high97.8Very high159 Ų15934 Ų3469%0.69116%0.163SC*.SBendtrans-84.4-42.8173.6-62.6179.2-179.7175.90111.1N68 D90K39-N68 PolarHBondContact O-N 2.88Å; K39-N68 PolarHBondContact O-ND2 3.32Å; K39-N68 VanDerWaalsContact O-ND2 3.11Å; K39-D90 WeakPolarHBondContact CA-OD2 3.34Å; K39-D90 WeakPolarHBondContact CB-OD2 3.42Å; K39-D90 PolarHBondContact N-OD2 3.33Å
40T98.7Very high97.8Very high34 Ų3436.1 Ų36.121%0.20918%0.175CC..EExtended strand (participates in β ladder)trans-142.5136.4-178.5-56.60000109.7N68 L70 V89 D90T40-N68 CarbonylContact C-O 3.54Å; T40-N68 VanDerWaalsContact CA-O 3.3Å; T40-N68 WeakPolarHBondContact CA-O 3.25Å; T40-N68 HydrophobicContact CG2-CB 4.17Å; T40-L70 HydrophobicContact CG2-CD1 3.76Å; T40-L70 HydrophobicContact CG2-CG 3.77Å; T40-V89 HydrophobicContact CG2-CG1 3.92Å; T40-D90 PolarHBondContact N-OD2 3.45Å; T40-D90 WeakPolarHBondContact O-CB 3.46Å; T40-D90 PolarHBondContact O-N 3.02Å
41I98.6Very high97.8Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-131.4158.7170.572.9165.4000111.7Y32 P38 L62 V67 N68 L70 G91 I93Y32-I41 HydrophobicContact CD1-CD1 4.48Å; Y32-I41 HydrophobicContact CE1-CD1 3.99Å; Y32-I41 HydrophobicContact CE1-CG2 4.05Å; P38-I41 HydrophobicContact CB-CG2 3.71Å; P38-I41 HydrophobicContact CG-CG2 3.83Å; I41-L62 HydrophobicContact CD1-CD1 3.49Å; I41-L62 VanDerWaalsContact CD1-CD1 3.49Å; I41-L62 HydrophobicContact CD1-CD2 3.65Å; I41-L62 HydrophobicContact CD1-CG 4.18Å; I41-L62 HydrophobicContact CG1-CD1 4.25Å; I41-V67 HydrophobicContact CG1-CG1 4.1Å; I41-V67 HydrophobicContact CG2-CG1 4.06Å; I41-N68 PolarHBondContact N-O 2.95Å; I41-L70 PolarHBondContact O-N 2.77Å; I41-G91 VanDerWaalsContact CA-O 3.28Å; I41-G91 WeakPolarHBondContact CA-O 3.35Å; I41-G91 WeakPolarHBondContact CB-O 3.43Å; I41-I93 HydrophobicContact CD1-CD1 4.05Å; I41-I93 HydrophobicContact CD1-CG1 4.2Å
42V98.8Very high97.8Very high0 Ų040 Ų400%019%0.194CC..EExtended strand (participates in β ladder)trans-91.8149.4169-68.90000111.3L70 I80 A83 T84 L87 V89 G91 G92 I93V42-L70 CarbonylContact C-O 3.54Å; V42-L70 VanDerWaalsContact CA-O 3.26Å; V42-L70 WeakPolarHBondContact CA-O 3.26Å; V42-L70 HydrophobicContact CG1-CB 4.03Å; V42-L70 HydrophobicContact CG1-CD1 4.43Å; V42-I80 HydrophobicContact CG2-CD1 4.39Å; V42-I80 HydrophobicContact CG2-CG2 4.3Å; V42-A83 HydrophobicContact CB-CB 4.25Å; V42-A83 HydrophobicContact CG1-CB 3.96Å; V42-A83 HydrophobicContact CG2-CB 4.12Å; V42-T84 WeakPolarHBondContact CG2-OG1 3.31Å; V42-L87 HydrophobicContact CG1-CD1 3.87Å; V42-V89 HydrophobicContact CG1-CG2 4.01Å; V42-V89 HydrophobicContact CG2-CG2 4.38Å; V42-G91 PolarHBondContact N-O 3.08Å; V42-G92 CarbonylContact O-C 3.53Å; V42-G92 WeakPolarHBondContact O-CA 3.22Å; V42-I93 PolarHBondContact O-N 3.26Å
43L98.8Very high97.8Very high0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-139.8142.1-179.2-176.667000109.9K55 L58 A59 V69 L70 D71 I72 I80 I93 V95L43-K55 HydrophobicContact CD1-CG 4.06Å; L43-K55 HydrophobicContact CD2-CD 4.33Å; L43-K55 HydrophobicContact CD2-CG 3.48Å; L43-K55 VanDerWaalsContact CD2-CG 3.48Å; L43-K55 WeakPolarHBondContact CD2-O 3.34Å; L43-K55 HydrophobicContact CG-CD 4.05Å; L43-K55 HydrophobicContact CG-CG 3.52Å; L43-L58 HydrophobicContact CD1-CD2 3.53Å; L43-L58 HydrophobicContact CD1-CG 4.32Å; L43-A59 HydrophobicContact CD2-CB 3.61Å; L43-V69 HydrophobicContact CB-CG1 3.78Å; L43-V69 HydrophobicContact CD2-CG1 3.84Å; L43-V69 HydrophobicContact CG-CG1 4.48Å; L43-L70 PolarHBondContact N-O 3.05Å; L43-D71 CarbonylContact O-C 3.52Å; L43-D71 VanDerWaalsContact O-CA 3.31Å; L43-D71 WeakPolarHBondContact O-CA 3.47Å; L43-I72 WeakPolarHBondContact O-CG1 3.47Å; L43-I72 PolarHBondContact O-N 3.29Å; L43-I80 VanDerWaalsContact C-CD1 3.48Å; L43-I93 WeakPolarHBondContact CA-O 3.47Å; L43-I93 HydrophobicContact CD1-CB 3.89Å; L43-I93 HydrophobicContact CD1-CG2 4.31Å; L43-I93 WeakPolarHBondContact CD1-O 3.37Å; L43-V95 HydrophobicContact CD1-CG2 4.41Å
44G98.7Very high97.9Very high0 Ų042.9 Ų42.90%021%0.211CC..EExtended strand (participates in β ladder)trans-154.6176.6177.800000110.8S75 I80 I93 V95G44-S75 VanDerWaalsContact CA-OG 3.31Å; G44-S75 WeakPolarHBondContact CA-OG 3.4Å; G44-I80 VanDerWaalsContact N-CD1 3.32Å; G44-I93 PolarHBondContact N-O 3.03Å; G44-I93 VanDerWaalsContact N-O 3.13Å; G44-V95 PolarHBondContact O-N 3.33Å
45G98.6Very high98Very high3 Ų340.4 Ų40.43%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-158.1153.2175.800000113.1G73 M74 S75 E94 V95G45-G73 PolarHBondContact N-O 2.94Å; G45-M74 CarbonylContact O-C 3.49Å; G45-M74 WeakPolarHBondContact O-CA 3.26Å; G45-S75 PolarHBondContact N-OG 3.03Å; G45-S75 PolarHBondContact O-N 3.01Å; G45-E94 VanDerWaalsContact CA-OE1 3.28Å; G45-E94 WeakPolarHBondContact CA-OE1 3.43Å; G45-E94 PolarHBondContact N-OE2 3.25Å; G45-V95 CarbonylContact C-O 3.56Å; G45-V95 WeakPolarHBondContact CA-O 3.27Å
46D98.4Very high98.2Very high8 Ų840.2 Ų40.24%0.04320%0.202CC..  trans-75.5-174-179.774.56.4000112.2R48 S51 E94 V95 T96 A97D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 VanDerWaalsContact OD1-CB 3.31Å; D46-R48 WeakPolarHBondContact OD1-CB 3.4Å; D46-R48 WeakPolarHBondContact OD1-CG 3.37Å; D46-R48 PolarHBondContact OD1-N 3.18Å; D46-R48 WeakPolarHBondContact OD2-CG 3.24Å; D46-S51 WeakPolarHBondContact O-CB 3.36Å; D46-S51 WeakPolarHBondContact OD1-CB 3.39Å; D46-S51 PolarHBondContact OD1-OG 3.26Å; D46-E94 PolarHBondContact N-OE1 2.86Å; D46-E94 VanDerWaalsContact N-OE1 3.11Å; D46-V95 PolarHBondContact N-O 2.96Å; D46-T96 VanDerWaalsContact OD2-CA 3.24Å; D46-T96 WeakPolarHBondContact OD2-CA 3.43Å; D46-T96 WeakPolarHBondContact OD2-CB 3.5Å; D46-T96 PolarHBondContact OD2-OG1 3.43Å; D46-A97 PolarHBondContact OD2-N 3.31Å
47V98.4Very high98.3Very high17 Ų1738.4 Ų38.410%0.10320%0.195CC..SBendtrans-71.8-7.6-176.573.10000114.6L49 M74 P209 G211 F213V47-L49 PolarHBondContact O-N 2.9Å; V47-M74 HydrophobicContact CB-SD 4.28Å; V47-M74 HydrophobicContact CG2-SD 4.19Å; V47-P209 HydrophobicContact CB-CB 4.33Å; V47-P209 HydrophobicContact CG2-CB 3.44Å; V47-P209 VanDerWaalsContact CG2-CB 3.44Å; V47-G211 WeakPolarHBondContact O-CA 3.37Å; V47-F213 HydrophobicContact CG1-CE1 3.75Å; V47-F213 HydrophobicContact CG1-CZ 3.67Å
48R98.2Very high98.5Very high12 Ų1230.8 Ų30.85%0.04516%0.162CC..  trans-60.8142.6-174.3-58.3-72.9-178.6113.8-4.1110.3D46 T50 S51 A97 S98 N100 P101 Y104 F213D46-R48 PolarHBondContact O-N 3.37Å; D46-R48 VanDerWaalsContact OD1-CB 3.31Å; D46-R48 WeakPolarHBondContact OD1-CB 3.4Å; D46-R48 WeakPolarHBondContact OD1-CG 3.37Å; D46-R48 PolarHBondContact OD1-N 3.18Å; D46-R48 WeakPolarHBondContact OD2-CG 3.24Å; R48-T50 PolarHBondContact O-N 3.28Å; R48-S51 WeakPolarHBondContact CB-OG 3.48Å; R48-S51 WeakPolarHBondContact O-CB 3.28Å; R48-S51 PolarHBondContact O-N 3.18Å; R48-A97 HydrophobicContact CG-CB 3.91Å; R48-S98 PolarHBondContact NH2-O 3.46Å; R48-N100 PolarHBondContact NH1-O 3.42Å; R48-N100 PolarHBondContact NH2-O 3.48Å; R48-P101 PolarHBondContact NH1-O 3.49Å; R48-Y104 PolarHBondContact NH1-O 3.48Å; R48-F213 VanDerWaalsContact NE-CE2 3.34Å
49L97.9Very high98.5Very high109 Ų10930.2 Ų30.257%0.57116%0.158SC*.THydrogen-bonded Turntrans-57.6-24.1-178.9-55.8-179.2000113.8V47V47-L49 PolarHBondContact O-N 2.9Å
50T98Very high98.5Very high44 Ų4427.7 Ų27.727%0.2715%0.147SC..THydrogen-bonded Turntrans-98.5-9.6179.456.10000114.1L16 R48 E52 T53 L54 N105L16-T50 HydrophobicContact CD1-CG2 3.9Å; L16-T50 HydrophobicContact CD2-CG2 4.4Å; R48-T50 PolarHBondContact O-N 3.28Å; T50-E52 PolarHBondContact O-N 3.26Å; T50-T53 PolarHBondContact O-N 3.07Å; T50-T53 PolarHBondContact O-OG1 3.3Å; T50-L54 WeakPolarHBondContact O-CB 3.32Å; T50-L54 VanDerWaalsContact O-CG 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 3.02Å; T50-L54 VanDerWaalsContact O-N 3.12Å; T50-N105 PolarHBondContact OG1-ND2 2.68Å; T50-N105 VanDerWaalsContact OG1-ND2 3.07Å
51S98.6Very high98.5Very high0 Ų026.1 Ų26.10%014%0.137CC..Hα-helixtrans-64.9-40.5-175.5-72.50000111.8D46 R48 T53 L54 K55 V95 N105D46-S51 WeakPolarHBondContact O-CB 3.36Å; D46-S51 WeakPolarHBondContact OD1-CB 3.39Å; D46-S51 PolarHBondContact OD1-OG 3.26Å; R48-S51 WeakPolarHBondContact CB-OG 3.48Å; R48-S51 WeakPolarHBondContact O-CB 3.28Å; R48-S51 PolarHBondContact O-N 3.18Å; S51-T53 PolarHBondContact O-N 2.85Å; S51-L54 PolarHBondContact O-N 3.42Å; S51-K55 WeakPolarHBondContact O-CB 3.44Å; S51-K55 PolarHBondContact O-N 3.47Å; S51-V95 PolarHBondContact OG-O 3.45Å; S51-N105 PolarHBondContact OG-ND2 3.3Å
52E98.3Very high98.5Very high87 Ų8726.1 Ų26.141%0.40714%0.137SC..Hα-helixtrans-62.1-46.4179.2-175.164.4-169.200112.3T50 K55 L56T50-E52 PolarHBondContact O-N 3.26Å; E52-K55 WeakPolarHBondContact O-CB 3.25Å; E52-K55 PolarHBondContact O-N 2.9Å; E52-K55 IonicContact OE1-NZ 2.66Å; E52-K55 WeakPolarHBondContact OE2-CE 3.44Å; E52-K55 IonicContact OE2-NZ 3.18Å; E52-K55 PolarHBondContact OE2-NZ 3.28Å; E52-L56 HydrophobicContact CG-CD1 4.3Å; E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.92Å
53T98.4Very high98.5Very high62 Ų6227.5 Ų27.538%0.3814%0.144SC..Hα-helixtrans-69.3-39.8-178.964.90000111.9E22 T50 S51 K55 L56 A57E22-T53 WeakPolarHBondContact OE1-CB 3.27Å; E22-T53 PolarHBondContact OE1-OG1 2.9Å; T50-T53 PolarHBondContact O-N 3.07Å; T50-T53 PolarHBondContact O-OG1 3.3Å; S51-T53 PolarHBondContact O-N 2.85Å; T53-K55 VanDerWaalsContact C-N 3.35Å; T53-L56 PolarHBondContact O-N 3.39Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.29Å
54L98.8Very high98.5Very high3 Ų328.2 Ų28.22%0.01615%0.147CC..Hα-helixtrans-62.7-41.4173.5-69.2173.1000111.8L16 L20 A25 T50 S51 A57 L58 V95 N105L16-L54 HydrophobicContact CD2-CD1 3.99Å; L20-L54 HydrophobicContact CD2-CD1 4.18Å; L20-L54 HydrophobicContact CG-CD1 4.44Å; L20-L54 HydrophobicContact CG-CD2 4.37Å; A25-L54 HydrophobicContact CB-CD2 4.06Å; T50-L54 WeakPolarHBondContact O-CB 3.32Å; T50-L54 VanDerWaalsContact O-CG 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.48Å; T50-L54 PolarHBondContact O-N 3.02Å; T50-L54 VanDerWaalsContact O-N 3.12Å; S51-L54 PolarHBondContact O-N 3.42Å; L54-A57 PolarHBondContact O-N 3.03Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 PolarHBondContact O-N 3.42Å; L54-V95 HydrophobicContact CB-CG1 3.94Å; L54-V95 HydrophobicContact CD1-CG1 4.49Å; L54-N105 HydrophobicContact CD1-CB 3.69Å
55K98.7Very high98.5Very high1 Ų129.3 Ų29.30%0.00416%0.156CC..Hα-helixtrans-61.1-47.1176.2-173.6-175.365.3172.20111.5L43 S51 E52 T53 A57 L58 A59 D71 G73 V95L43-K55 HydrophobicContact CD1-CG 4.06Å; L43-K55 HydrophobicContact CD2-CD 4.33Å; L43-K55 HydrophobicContact CD2-CG 3.48Å; L43-K55 VanDerWaalsContact CD2-CG 3.48Å; L43-K55 WeakPolarHBondContact CD2-O 3.34Å; L43-K55 HydrophobicContact CG-CD 4.05Å; L43-K55 HydrophobicContact CG-CG 3.52Å; S51-K55 WeakPolarHBondContact O-CB 3.44Å; S51-K55 PolarHBondContact O-N 3.47Å; E52-K55 WeakPolarHBondContact O-CB 3.25Å; E52-K55 PolarHBondContact O-N 2.9Å; E52-K55 IonicContact OE1-NZ 2.66Å; E52-K55 WeakPolarHBondContact OE2-CE 3.44Å; E52-K55 IonicContact OE2-NZ 3.18Å; E52-K55 PolarHBondContact OE2-NZ 3.28Å; T53-K55 VanDerWaalsContact C-N 3.35Å; K55-A57 PolarHBondContact O-N 2.84Å; K55-L58 WeakPolarHBondContact O-CB 3.08Å; K55-L58 PolarHBondContact O-N 3.38Å; K55-A59 WeakPolarHBondContact O-CB 3.14Å; K55-A59 PolarHBondContact O-N 3.46Å; K55-D71 WeakPolarHBondContact CE-OD1 3.33Å; K55-D71 IonicContact NZ-OD1 2.78Å; K55-D71 PolarHBondContact NZ-OD1 3.4Å; K55-D71 IonicContact NZ-OD2 3.79Å; K55-D71 PolarHBondContact NZ-OD2 3.46Å; K55-G73 PolarHBondContact NZ-O 2.88Å; K55-G73 VanDerWaalsContact NZ-O 3.16Å; K55-V95 HydrophobicContact CB-CB 4.41Å; K55-V95 HydrophobicContact CB-CG2 3.93Å; K55-V95 HydrophobicContact CG-CG2 4.28Å
56L98.7Very high98.5Very high79 Ų7930.6 Ų30.641%0.41417%0.17SC..Hα-helixtrans-65.8-38.7178.6-67.6174.4000112.4E52 T53 A59 K60 Y146E52-L56 HydrophobicContact CG-CD1 4.3Å; E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.92Å; T53-L56 PolarHBondContact O-N 3.39Å; L56-A59 PolarHBondContact O-N 2.92Å; L56-K60 PolarHBondContact O-N 3.18Å; L56-Y146 HydrophobicContact CD2-CE2 4.4Å; L56-Y146 WeakPolarHBondContact CD2-OH 3.2Å
57A98.8Very high98.5Very high15 Ų1530.3 Ų30.312%0.12417%0.168CC..Hα-helixtrans-64.9-43.4174.800000111.9E22 A25 W26 T53 L54 K55 K60 G61E22-A57 HydrophobicContact CB-CB 3.86Å; E22-A57 HydrophobicContact CG-CB 4.19Å; E22-A57 WeakPolarHBondContact O-CB 3.44Å; A25-A57 HydrophobicContact CB-CB 4.08Å; W26-A57 WeakPolarHBondContact CA-O 3.4Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.29Å; L54-A57 PolarHBondContact O-N 3.03Å; K55-A57 PolarHBondContact O-N 2.84Å; A57-K60 PolarHBondContact O-N 2.61Å; A57-G61 PolarHBondContact O-N 3.29Å; A57-G61 VanDerWaalsContact O-N 3.12Å
58L98.8Very high98.5Very high0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-59.8-47.5173.8176.467.1000111.6A25 I28 G29 L43 L54 K55 K60 G61 L62 I93 V95 M107A25-L58 HydrophobicContact CB-CB 4.44Å; A25-L58 WeakPolarHBondContact O-CD1 3.27Å; I28-L58 HydrophobicContact CB-CD1 4.27Å; I28-L58 HydrophobicContact CG2-CD1 3.97Å; G29-L58 VanDerWaalsContact CA-CD1 3.41Å; G29-L58 VanDerWaalsContact N-CD1 3.35Å; L43-L58 HydrophobicContact CD1-CD2 3.53Å; L43-L58 HydrophobicContact CD1-CG 4.32Å; L54-L58 VanDerWaalsContact O-CB 3.26Å; L54-L58 WeakPolarHBondContact O-CB 3.23Å; L54-L58 PolarHBondContact O-N 3.42Å; K55-L58 WeakPolarHBondContact O-CB 3.08Å; K55-L58 PolarHBondContact O-N 3.38Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.94Å; L58-G61 PolarHBondContact O-N 2.91Å; L58-G61 VanDerWaalsContact O-N 3.12Å; L58-L62 HydrophobicContact CD1-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.7Å; L58-I93 HydrophobicContact CD1-CD1 4.29Å; L58-I93 HydrophobicContact CD2-CB 4.17Å; L58-I93 HydrophobicContact CD2-CD1 4.07Å; L58-I93 HydrophobicContact CD2-CG2 3.62Å; L58-V95 HydrophobicContact CD2-CG2 3.93Å; L58-M107 HydrophobicContact CB-CE 4.23Å; L58-M107 HydrophobicContact CD1-CE 4.28Å; L58-M107 HydrophobicContact CD1-SD 4.07Å; L58-M107 HydrophobicContact CD2-CE 4.02Å; L58-M107 HydrophobicContact CD2-SD 3.9Å; L58-M107 HydrophobicContact CG-CE 4.42Å
59A98.8Very high98.6Very high1 Ų131.5 Ų31.51%0.00818%0.175CC..Hα-helixtrans-56-45.5176.400000111.6L43 K55 L56 G61 L62 Q63 V69 Y146L43-A59 HydrophobicContact CD2-CB 3.61Å; K55-A59 WeakPolarHBondContact O-CB 3.14Å; K55-A59 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 2.92Å; A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.97Å; A59-L62 WeakPolarHBondContact O-CB 3.36Å; A59-L62 PolarHBondContact O-N 3.05Å; A59-Q63 WeakPolarHBondContact O-CG 3.41Å; A59-Q63 PolarHBondContact O-N 2.82Å; A59-V69 HydrophobicContact CB-CG1 4.16Å; A59-V69 HydrophobicContact CB-CG2 4.42Å; A59-Y146 HydrophobicContact CB-CD2 3.93Å; A59-Y146 HydrophobicContact CB-CE2 3.68Å
60K98.7Very high98.6Very high107 Ų10727.6 Ų27.647%0.46516%0.155SC..Hα-helixtrans-58.9-45.1176.5-176.4-177.2177-173.10111.5L56 A57 L58 L62 Q63 D64L56-K60 PolarHBondContact O-N 3.18Å; A57-K60 PolarHBondContact O-N 2.61Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 2.94Å; K60-L62 VanDerWaalsContact C-N 3.32Å; K60-L62 PolarHBondContact O-N 3.16Å; K60-Q63 PolarHBondContact O-N 3.08Å; K60-D64 WeakPolarHBondContact O-CB 3.32Å; K60-D64 PolarHBondContact O-N 3.08Å
61G98.6Very high98.6Very high0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-60-41.3177.500000113W26 R30 A57 L58 A59 D64 A65W26-G61 VanDerWaalsContact CD1-N 3.27Å; W26-G61 WeakPolarHBondContact O-CA 3.3Å; R30-G61 VanDerWaalsContact CA-O 3.3Å; R30-G61 WeakPolarHBondContact CA-O 3.47Å; R30-G61 PolarHBondContact N-O 3.47Å; A57-G61 PolarHBondContact O-N 3.29Å; A57-G61 VanDerWaalsContact O-N 3.12Å; L58-G61 PolarHBondContact O-N 2.91Å; L58-G61 VanDerWaalsContact O-N 3.12Å; A59-G61 VanDerWaalsContact C-N 3.33Å; A59-G61 PolarHBondContact O-N 2.97Å; G61-D64 PolarHBondContact O-N 3.41Å; G61-A65 PolarHBondContact O-N 2.96Å
62L98.7Very high98.7Very high0 Ų026.8 Ų26.80%015%0.148CC..Hα-helixtrans-63.9-48.1175-70.5158.3000112.1G29 Y32 I41 L58 A59 K60 D64 A65 G66 V67 V69 I93G29-L62 WeakPolarHBondContact O-CD2 3.32Å; Y32-L62 HydrophobicContact CD1-CD2 3.49Å; Y32-L62 VanDerWaalsContact CD1-CD2 3.49Å; Y32-L62 HydrophobicContact CE1-CD2 4.22Å; Y32-L62 HydrophobicContact CG-CD2 4.2Å; I41-L62 HydrophobicContact CD1-CD1 3.49Å; I41-L62 VanDerWaalsContact CD1-CD1 3.49Å; I41-L62 HydrophobicContact CD1-CD2 3.65Å; I41-L62 HydrophobicContact CD1-CG 4.18Å; I41-L62 HydrophobicContact CG1-CD1 4.25Å; L58-L62 HydrophobicContact CD1-CD1 4.49Å; L58-L62 HydrophobicContact CG-CD1 4.11Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.7Å; A59-L62 WeakPolarHBondContact O-CB 3.36Å; A59-L62 PolarHBondContact O-N 3.05Å; K60-L62 VanDerWaalsContact C-N 3.32Å; K60-L62 PolarHBondContact O-N 3.16Å; L62-D64 VanDerWaalsContact C-N 3.3Å; L62-D64 PolarHBondContact O-N 2.91Å; L62-A65 CarbonylContact O-C 3.45Å; L62-A65 WeakPolarHBondContact O-CA 3.37Å; L62-A65 WeakPolarHBondContact O-CB 3.43Å; L62-A65 PolarHBondContact O-N 2.98Å; L62-G66 PolarHBondContact O-N 3.18Å; L62-V67 HydrophobicContact CB-CB 4.18Å; L62-V67 HydrophobicContact CD2-CG1 4.49Å; L62-V67 HydrophobicContact CD2-CG2 4.49Å; L62-V67 VanDerWaalsContact O-CB 3.3Å; L62-V67 WeakPolarHBondContact O-CB 3.4Å; L62-V67 WeakPolarHBondContact O-CG2 3.21Å; L62-V67 PolarHBondContact O-N 3.47Å; L62-V69 HydrophobicContact CB-CG2 3.86Å; L62-V69 HydrophobicContact CD1-CG2 4.14Å; L62-I93 HydrophobicContact CD1-CD1 4.47Å
63Q98.7Very high98.7Very high30 Ų3023.4 Ų23.414%0.1414%0.137CC..Hα-helixtrans-61-41.6177.7-70.8-179.7-87.500111.7A59 K60 A65 G66 V67 V69 R143 G144A59-Q63 WeakPolarHBondContact O-CG 3.41Å; A59-Q63 PolarHBondContact O-N 2.82Å; K60-Q63 PolarHBondContact O-N 3.08Å; Q63-A65 PolarHBondContact O-N 2.8Å; Q63-G66 WeakPolarHBondContact O-CA 3.4Å; Q63-G66 PolarHBondContact O-N 2.81Å; Q63-V67 WeakPolarHBondContact CA-O 3.31Å; Q63-V69 HydrophobicContact CG-CG2 4.07Å; Q63-R143 HydrophobicContact CB-CG 4.26Å; Q63-R143 WeakPolarHBondContact O-CA 3.33Å; Q63-R143 WeakPolarHBondContact O-CG 3.5Å; Q63-G144 WeakPolarHBondContact CB-O 3.26Å; Q63-G144 WeakPolarHBondContact CG-O 3.22Å; Q63-G144 PolarHBondContact NE2-O 2.89Å; Q63-G144 PolarHBondContact O-N 2.87Å
64D98.5Very high98.7Very high14 Ų1424.6 Ų24.68%0.07514%0.14CC..Hα-helixtrans-60-32.3176.9-66.3-9000110.1W26 R30 K60 G61 L62 G66 V138 R143W26-D64 PolarHBondContact NE1-OD2 2.92Å; R30-D64 PolarHBondContact NH1-O 2.85Å; K60-D64 WeakPolarHBondContact O-CB 3.32Å; K60-D64 PolarHBondContact O-N 3.08Å; G61-D64 PolarHBondContact O-N 3.41Å; L62-D64 VanDerWaalsContact C-N 3.3Å; L62-D64 PolarHBondContact O-N 2.91Å; D64-G66 PolarHBondContact O-N 2.72Å; D64-V138 HydrophobicContact CB-CG1 4.21Å; D64-V138 HydrophobicContact CB-CG2 3.84Å; D64-R143 IonicContact OD1-CZ 3.8Å; D64-R143 VanDerWaalsContact OD1-CZ 3.31Å; D64-R143 IonicContact OD1-NE 2.75Å; D64-R143 PolarHBondContact OD1-NE 3.29Å; D64-R143 IonicContact OD1-NH2 3.59Å; D64-R143 PolarHBondContact OD1-NH2 3.29Å
65A98Very high98.6Very high23 Ų2324.5 Ų24.519%0.1914%0.139CC..THydrogen-bonded Turntrans-77.86.9170.900000115.8E34 G61 L62 Q63 V67E34-A65 HydrophobicContact CG-CB 4.42Å; G61-A65 PolarHBondContact O-N 2.96Å; L62-A65 CarbonylContact O-C 3.45Å; L62-A65 WeakPolarHBondContact O-CA 3.37Å; L62-A65 WeakPolarHBondContact O-CB 3.43Å; L62-A65 PolarHBondContact O-N 2.98Å; Q63-A65 PolarHBondContact O-N 2.8Å; A65-V67 VanDerWaalsContact C-N 3.29Å; A65-V67 HydrophobicContact CB-CG2 4.26Å
66G98.3Very high98.6Very high31 Ų3124.5 Ų24.532%0.3214%0.139SC..THydrogen-bonded Turntrans7812.4179.500000114.2L62 Q63 D64 K142L62-G66 PolarHBondContact O-N 3.18Å; Q63-G66 WeakPolarHBondContact O-CA 3.4Å; Q63-G66 PolarHBondContact O-N 2.81Å; D64-G66 PolarHBondContact O-N 2.72Å; G66-K142 VanDerWaalsContact CA-O 3.25Å; G66-K142 WeakPolarHBondContact CA-O 3.48Å
67V98.7Very high98.6Very high1 Ų120.7 Ų20.71%0.00612%0.119CC..  trans-88.7128.2-179.9-173.10000110P38 I41 L62 Q63 A65 G144P38-V67 HydrophobicContact CB-CG1 4.42Å; P38-V67 HydrophobicContact CG-CG1 3.85Å; P38-V67 HydrophobicContact CG-CG2 3.85Å; I41-V67 HydrophobicContact CG1-CG1 4.1Å; I41-V67 HydrophobicContact CG2-CG1 4.06Å; L62-V67 HydrophobicContact CB-CB 4.18Å; L62-V67 HydrophobicContact CD2-CG1 4.49Å; L62-V67 HydrophobicContact CD2-CG2 4.49Å; L62-V67 VanDerWaalsContact O-CB 3.3Å; L62-V67 WeakPolarHBondContact O-CB 3.4Å; L62-V67 WeakPolarHBondContact O-CG2 3.21Å; L62-V67 PolarHBondContact O-N 3.47Å; Q63-V67 WeakPolarHBondContact CA-O 3.31Å; A65-V67 VanDerWaalsContact C-N 3.29Å; A65-V67 HydrophobicContact CB-CG2 4.26Å; V67-G144 WeakPolarHBondContact O-CA 3.49Å
68N98.8Very high98.6Very high53 Ų5320 Ų2028%0.28311%0.114SC..EExtended strand (participates in β ladder)trans-74.4137170.1-57.1-61000110.5K39 T40 I41 R145K39-N68 PolarHBondContact O-N 2.88Å; K39-N68 PolarHBondContact O-ND2 3.32Å; K39-N68 VanDerWaalsContact O-ND2 3.11Å; T40-N68 CarbonylContact C-O 3.54Å; T40-N68 VanDerWaalsContact CA-O 3.3Å; T40-N68 WeakPolarHBondContact CA-O 3.25Å; T40-N68 HydrophobicContact CG2-CB 4.17Å; I41-N68 PolarHBondContact N-O 2.95Å; N68-R145 CarbonylContact C-O 3.53Å; N68-R145 WeakPolarHBondContact CA-O 3.47Å; N68-R145 PolarHBondContact OD1-N 3.22Å
69V98.9Very high98.6Very high1 Ų120.9 Ų20.91%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-113.1123.2-178.4179.40000109.5L43 A59 L62 Q63 R145 Y146 Q147L43-V69 HydrophobicContact CB-CG1 3.78Å; L43-V69 HydrophobicContact CD2-CG1 3.84Å; L43-V69 HydrophobicContact CG-CG1 4.48Å; A59-V69 HydrophobicContact CB-CG1 4.16Å; A59-V69 HydrophobicContact CB-CG2 4.42Å; L62-V69 HydrophobicContact CB-CG2 3.86Å; L62-V69 HydrophobicContact CD1-CG2 4.14Å; Q63-V69 HydrophobicContact CG-CG2 4.07Å; V69-R145 PolarHBondContact N-O 3.43Å; V69-Y146 HydrophobicContact CB-CD2 4.07Å; V69-Y146 HydrophobicContact CG1-CD2 3.95Å; V69-Y146 HydrophobicContact CG1-CE2 4.05Å; V69-Q147 PolarHBondContact O-N 2.91Å
70L98.9Very high98.6Very high27 Ų2720.9 Ų20.914%0.14112%0.118CC..EExtended strand (participates in β ladder)trans-103.3100169.4-59.4-178.9000108.8T40 I41 V42 L43 L87 V89 Q147 I149T40-L70 HydrophobicContact CG2-CD1 3.76Å; T40-L70 HydrophobicContact CG2-CG 3.77Å; I41-L70 PolarHBondContact O-N 2.77Å; V42-L70 CarbonylContact C-O 3.54Å; V42-L70 VanDerWaalsContact CA-O 3.26Å; V42-L70 WeakPolarHBondContact CA-O 3.26Å; V42-L70 HydrophobicContact CG1-CB 4.03Å; V42-L70 HydrophobicContact CG1-CD1 4.43Å; L43-L70 PolarHBondContact N-O 3.05Å; L70-L87 HydrophobicContact CD1-CD1 3.75Å; L70-V89 HydrophobicContact CD1-CG1 4.23Å; L70-Q147 CarbonylContact C-O 3.57Å; L70-Q147 WeakPolarHBondContact CA-O 3.39Å; L70-Q147 HydrophobicContact CD2-CB 4.14Å; L70-I149 HydrophobicContact CB-CD1 3.85Å; L70-I149 HydrophobicContact CB-CG1 4.24Å; L70-I149 HydrophobicContact CD1-CD1 4.16Å; L70-I149 HydrophobicContact CD2-CG2 4.47Å; L70-I149 HydrophobicContact CG-CD1 4.47Å
71D98.9Very high98.5Very high0 Ų016 Ų160%010%0.096CC..EExtended strand (participates in β ladder)trans-83.7119179.9172.531.3000110.6L43 K55 G73 Y146 Q147 Q148 I149L43-D71 CarbonylContact O-C 3.52Å; L43-D71 VanDerWaalsContact O-CA 3.31Å; L43-D71 WeakPolarHBondContact O-CA 3.47Å; K55-D71 WeakPolarHBondContact CE-OD1 3.33Å; K55-D71 IonicContact NZ-OD1 2.78Å; K55-D71 PolarHBondContact NZ-OD1 3.4Å; K55-D71 IonicContact NZ-OD2 3.79Å; K55-D71 PolarHBondContact NZ-OD2 3.46Å; D71-G73 VanDerWaalsContact C-N 3.33Å; D71-G73 WeakPolarHBondContact OD1-CA 3.24Å; D71-G73 PolarHBondContact OD1-N 2.99Å; D71-Y146 HydrophobicContact CB-CE1 4.06Å; D71-Y146 HydrophobicContact CB-CE2 4.02Å; D71-Y146 VanDerWaalsContact CB-OH 3.32Å; D71-Y146 WeakPolarHBondContact CB-OH 3.39Å; D71-Y146 PolarHBondContact OD2-OH 3.45Å; D71-Q147 PolarHBondContact N-O 2.85Å; D71-Q148 HydrophobicContact CB-CG 4.21Å; D71-Q148 CarbonylContact O-C 3.56Å; D71-Q148 VanDerWaalsContact O-CA 3.29Å; D71-Q148 WeakPolarHBondContact O-CA 3.49Å; D71-Q148 PolarHBondContact OD2-NE2 3.4Å; D71-I149 PolarHBondContact O-N 2.51Å
72I98.7Very high98.6Very high27 Ų2716 Ų1614%0.13810%0.096CC..EExtended strand (participates in β ladder)trans-90.8417663.1166.3000113L43 E79 I80 A83 I149 L151L43-I72 WeakPolarHBondContact O-CG1 3.47Å; L43-I72 PolarHBondContact O-N 3.29Å; I72-E79 HydrophobicContact CD1-CB 3.97Å; I72-I80 HydrophobicContact CD1-CD1 3.48Å; I72-I80 VanDerWaalsContact CD1-CD1 3.48Å; I72-I80 HydrophobicContact CD1-CG1 4.09Å; I72-I80 HydrophobicContact CG1-CD1 3.76Å; I72-A83 HydrophobicContact CG2-CB 4.37Å; I72-I149 HydrophobicContact CG2-CD1 4.13Å; I72-I149 HydrophobicContact CG2-CG1 3.89Å; I72-L151 HydrophobicContact CG2-CD1 4.44Å
73G98.4Very high98.6Very high17 Ų1716.1 Ų16.118%0.17510%0.097CC..EExtended strand (participates in β ladder)trans85.9-137.4174.600000112.9G45 K55 D71G45-G73 PolarHBondContact N-O 2.94Å; K55-G73 PolarHBondContact NZ-O 2.88Å; K55-G73 VanDerWaalsContact NZ-O 3.16Å; D71-G73 VanDerWaalsContact C-N 3.33Å; D71-G73 WeakPolarHBondContact OD1-CA 3.24Å; D71-G73 PolarHBondContact OD1-N 2.99Å
74M98.4Very high98.5Very high87 Ų8714.7 Ų14.743%0.4299%0.09SC..EExtended strand (participates in β ladder)trans-82.1124.9170.5-179.5-176.67300108.6G45 V47 P184 P209G45-M74 CarbonylContact O-C 3.49Å; G45-M74 WeakPolarHBondContact O-CA 3.26Å; V47-M74 HydrophobicContact CB-SD 4.28Å; V47-M74 HydrophobicContact CG2-SD 4.19Å; M74-P184 HydrophobicContact CE-CG 3.75Å; M74-P209 HydrophobicContact CE-CB 3.93Å; M74-P209 HydrophobicContact CE-CG 3.69Å; M74-P209 HydrophobicContact SD-CB 4Å; M74-P209 HydrophobicContact SD-CG 4.41Å
75S98.4Very high98.5Very high1 Ų116.3 Ų16.31%0.00710%0.097CC..  trans-142.8170.4-171.445.90000111.5G44 G45 E79 E94 A181G44-S75 VanDerWaalsContact CA-OG 3.31Å; G44-S75 WeakPolarHBondContact CA-OG 3.4Å; G45-S75 PolarHBondContact N-OG 3.03Å; G45-S75 PolarHBondContact O-N 3.01Å; S75-E79 WeakPolarHBondContact CA-OE2 3.48Å; S75-E79 WeakPolarHBondContact CB-OE2 3.16Å; S75-E94 PolarHBondContact OG-OE2 3.01Å; S75-A181 VanDerWaalsContact O-CB 3.28Å; S75-A181 WeakPolarHBondContact O-CB 3.32Å
76G98.2Very high98.5Very high0 Ų019.6 Ų19.60%011%0.108CC..  trans-99170.5156.600000112.6E78 E79 D247 F248G76-E78 VanDerWaalsContact C-N 3.27Å; G76-E78 PolarHBondContact O-N 3.36Å; G76-E79 PolarHBondContact N-OE2 3.32Å; G76-E79 WeakPolarHBondContact O-CB 3.4Å; G76-E79 PolarHBondContact O-N 3.06Å; G76-E79 VanDerWaalsContact O-N 3.11Å; G76-D247 WeakPolarHBondContact CA-O 3.37Å; G76-F248 VanDerWaalsContact N-CZ 3.27Å
77T98.1Very high98.6Very high0 Ų021.3 Ų21.30%011%0.109CC..Hα-helixtrans-57.5-40.2-178.8-76.40000112.2E79 I80 Y81 K108 D247 D249T77-E79 VanDerWaalsContact C-N 3.34Å; T77-E79 PolarHBondContact O-N 3.27Å; T77-I80 PolarHBondContact O-N 3.3Å; T77-Y81 HydrophobicContact CG2-CD2 4.32Å; T77-Y81 HydrophobicContact CG2-CE1 4.08Å; T77-Y81 HydrophobicContact CG2-CE2 3.37Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.4Å; T77-Y81 PolarHBondContact O-N 2.92Å; T77-K108 HydrophobicContact CG2-CD 3.58Å; T77-K108 WeakPolarHBondContact OG1-CD 3.47Å; T77-K108 PolarHBondContact OG1-NZ 2.89Å; T77-D247 WeakPolarHBondContact CB-OD2 3.12Å; T77-D247 PolarHBondContact N-O 3.11Å; T77-D247 VanDerWaalsContact N-O 3.16Å; T77-D247 PolarHBondContact OG1-OD2 3.11Å; T77-D249 HydrophobicContact CG2-CB 4.17Å; T77-D249 WeakPolarHBondContact CG2-OD2 2.99Å
78E98.4Very high98.5Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-71.3-26.1-179.267.5174-68.900113.8G76 I80 Y81 F82 Y155 F248 F338 D342 S343 G344 M345G76-E78 VanDerWaalsContact C-N 3.27Å; G76-E78 PolarHBondContact O-N 3.36Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 3.18Å; E78-Y81 HydrophobicContact CB-CD2 4.42Å; E78-Y81 PolarHBondContact O-N 3.3Å; E78-F82 WeakPolarHBondContact O-CB 3.16Å; E78-F82 PolarHBondContact O-N 3.48Å; E78-Y155 WeakPolarHBondContact CG-OH 3.19Å; E78-Y155 PolarHBondContact OE1-OH 2.69Å; E78-F248 HydrophobicContact CG-CD2 3.92Å; E78-F248 HydrophobicContact CG-CE2 3.5Å; E78-F248 VanDerWaalsContact CG-CE2 3.5Å; E78-F248 WeakPolarHBondContact OE2-CD2 3.46Å; E78-F338 HydrophobicContact CB-CE1 3.93Å; E78-F338 HydrophobicContact CB-CZ 4.2Å; E78-D342 WeakPolarHBondContact CB-O 3.44Å; E78-S343 VanDerWaalsContact CD-OG 3.31Å; E78-S343 WeakPolarHBondContact OE1-CA 3.29Å; E78-S343 WeakPolarHBondContact OE1-CB 3.48Å; E78-S343 PolarHBondContact OE1-OG 2.99Å; E78-S343 PolarHBondContact OE2-OG 2.95Å; E78-G344 PolarHBondContact OE2-N 3.49Å; E78-M345 PolarHBondContact OE2-N 3.13Å; E78-M345 VanDerWaalsContact OE2-N 3.14Å
79E98.7Very high98.5Very high19 Ų1922.5 Ų22.59%0.08913%0.131CC..Hα-helixtrans-67.6-33.3175.1-70.9-179.2106.300111.1I72 S75 G76 T77 F82 A83 Y155 F248I72-E79 HydrophobicContact CD1-CB 3.97Å; S75-E79 WeakPolarHBondContact CA-OE2 3.48Å; S75-E79 WeakPolarHBondContact CB-OE2 3.16Å; G76-E79 PolarHBondContact N-OE2 3.32Å; G76-E79 WeakPolarHBondContact O-CB 3.4Å; G76-E79 PolarHBondContact O-N 3.06Å; G76-E79 VanDerWaalsContact O-N 3.11Å; T77-E79 VanDerWaalsContact C-N 3.34Å; T77-E79 PolarHBondContact O-N 3.27Å; E79-F82 PolarHBondContact O-N 3.03Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 3.46Å; E79-Y155 HydrophobicContact CG-CD1 3.89Å; E79-Y155 HydrophobicContact CG-CE1 3.69Å; E79-Y155 HydrophobicContact CG-CG 4.43Å; E79-F248 HydrophobicContact CG-CE2 4.45Å; E79-F248 HydrophobicContact CG-CZ 4.05Å; E79-F248 WeakPolarHBondContact OE2-CZ 3.41Å
80I98.6Very high98.5Very high1 Ų125.4 Ų25.41%0.00515%0.147CC..Hα-helixtrans-67.3-41.2172.7-70-65.4000111.5V42 L43 G44 I72 T77 E78 T84 E94 V110V42-I80 HydrophobicContact CG2-CD1 4.39Å; V42-I80 HydrophobicContact CG2-CG2 4.3Å; L43-I80 VanDerWaalsContact C-CD1 3.48Å; G44-I80 VanDerWaalsContact N-CD1 3.32Å; I72-I80 HydrophobicContact CD1-CD1 3.48Å; I72-I80 VanDerWaalsContact CD1-CD1 3.48Å; I72-I80 HydrophobicContact CD1-CG1 4.09Å; I72-I80 HydrophobicContact CG1-CD1 3.76Å; T77-I80 PolarHBondContact O-N 3.3Å; E78-I80 VanDerWaalsContact C-N 3.3Å; E78-I80 PolarHBondContact O-N 3.18Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 PolarHBondContact O-N 3Å; I80-T84 PolarHBondContact O-OG1 2.96Å; I80-E94 HydrophobicContact CB-CB 4.28Å; I80-E94 HydrophobicContact CG1-CB 3.85Å; I80-E94 HydrophobicContact CG1-CG 4.48Å; I80-E94 WeakPolarHBondContact CG1-OE2 3.2Å; I80-V110 HydrophobicContact CG2-CG2 4.49Å
81Y98.4Very high98.4Very high3 Ų324.1 Ų24.11%0.01214%0.14CC..Hα-helixtrans-61.4-50.5174.6-55.9-28.2000110.6T77 E78 T84 F85 V110 A114 K315 C341 D342T77-Y81 HydrophobicContact CG2-CD2 4.32Å; T77-Y81 HydrophobicContact CG2-CE1 4.08Å; T77-Y81 HydrophobicContact CG2-CE2 3.37Å; T77-Y81 WeakPolarHBondContact CG2-OH 3.4Å; T77-Y81 PolarHBondContact O-N 2.92Å; E78-Y81 HydrophobicContact CB-CD2 4.42Å; E78-Y81 PolarHBondContact O-N 3.3Å; Y81-T84 WeakPolarHBondContact O-CB 3.44Å; Y81-T84 PolarHBondContact O-N 3.1Å; Y81-F85 WeakPolarHBondContact O-CD1 3.43Å; Y81-F85 PolarHBondContact O-N 3.32Å; Y81-F85 VanDerWaalsContact O-N 3.14Å; Y81-V110 HydrophobicContact CD1-CG1 3.77Å; Y81-V110 HydrophobicContact CD1-CG2 4.26Å; Y81-V110 HydrophobicContact CE1-CG1 3.53Å; Y81-A114 HydrophobicContact CD1-CB 4.43Å; Y81-K315 VanDerWaalsContact CE2-NZ 3.26Å; Y81-K315 PolarHBondContact OH-NZ 3.18Å; Y81-C341 HydrophobicContact CD2-CB 3.57Å; Y81-C341 HydrophobicContact CE2-CB 4.34Å; Y81-C341 HydrophobicContact CG-CB 3.9Å; Y81-D342 WeakPolarHBondContact CE2-OD1 3.42Å
82F98.8Very high98.4Very high2 Ų224.1 Ų24.11%0.00914%0.14CC..Hα-helixtrans-53.7-56.1176.2177-100000111.8E78 E79 T84 F85 H86 A154 Y155 H158 F338E78-F82 WeakPolarHBondContact O-CB 3.16Å; E78-F82 PolarHBondContact O-N 3.48Å; E79-F82 PolarHBondContact O-N 3.03Å; F82-T84 PolarHBondContact O-N 3.31Å; F82-F85 VanDerWaalsContact CA-CE1 3.41Å; F82-F85 HydrophobicContact CB-CE1 4.26Å; F82-F85 HydrophobicContact CB-CZ 4.48Å; F82-F85 HydrophobicContact CD2-CE1 4.14Å; F82-F85 HydrophobicContact CD2-CE2 4.01Å; F82-F85 AromaticContact CD2-CZ 3.53Å; F82-F85 HydrophobicContact CD2-CZ 3.53Å; F82-F85 HydrophobicContact CE2-CE2 4.26Å; F82-F85 HydrophobicContact CE2-CZ 4.17Å; F82-F85 HydrophobicContact CG-CZ 4.41Å; F82-F85 PolarHBondContact O-N 2.73Å; F82-H86 HydrophobicContact CD1-CB 4.31Å; F82-H86 HydrophobicContact CD2-CB 4.43Å; F82-H86 HydrophobicContact CE1-CB 3.94Å; F82-H86 AromaticContact CE1-CG 3.85Å; F82-H86 HydrophobicContact CE2-CB 4.05Å; F82-H86 HydrophobicContact CZ-CB 3.8Å; F82-H86 AromaticContact CZ-CG 3.56Å; F82-H86 AromaticContact CZ-ND1 3.53Å; F82-H86 WeakPolarHBondContact O-CB 3.49Å; F82-H86 PolarHBondContact O-N 2.95Å; F82-A154 HydrophobicContact CE1-CB 4.24Å; F82-A154 HydrophobicContact CZ-CB 4.22Å; F82-A154 WeakPolarHBondContact CZ-O 3.46Å; F82-Y155 HydrophobicContact CB-CD2 3.95Å; F82-Y155 HydrophobicContact CB-CE2 4.48Å; F82-Y155 AromaticContact CD1-CD2 3.97Å; F82-Y155 HydrophobicContact CD1-CD2 3.97Å; F82-Y155 HydrophobicContact CD1-CG 4.17Å; F82-Y155 HydrophobicContact CD2-CD2 4.11Å; F82-Y155 AromaticContact CG-CD2 3.71Å; F82-Y155 HydrophobicContact CG-CD2 3.71Å; F82-Y155 HydrophobicContact CG-CG 4.37Å; F82-H158 HydrophobicContact CD2-CB 4.19Å; F82-H158 HydrophobicContact CE2-CB 3.46Å; F82-H158 VanDerWaalsContact CE2-CB 3.46Å; F82-H158 AromaticContact CE2-CG 3.65Å; F82-H158 HydrophobicContact CZ-CB 4.12Å; F82-F338 HydrophobicContact CB-CE2 3.96Å; F82-F338 HydrophobicContact CB-CZ 3.82Å; F82-F338 AromaticContact CD2-CE2 3.9Å; F82-F338 HydrophobicContact CD2-CE2 3.9Å; F82-F338 HydrophobicContact CG-CE2 4.35Å
83A98.7Very high98.4Very high1 Ų122.8 Ų22.81%0.00813%0.133CC..Hα-helixtrans-57.6-39.5-178.800000111.9V42 I72 E79 L87 L151V42-A83 HydrophobicContact CB-CB 4.25Å; V42-A83 HydrophobicContact CG1-CB 3.96Å; V42-A83 HydrophobicContact CG2-CB 4.12Å; I72-A83 HydrophobicContact CG2-CB 4.37Å; E79-A83 WeakPolarHBondContact O-CB 3.41Å; E79-A83 PolarHBondContact O-N 3.46Å; A83-L87 VanDerWaalsContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 3.31Å; A83-L87 VanDerWaalsContact O-N 3.07Å; A83-L151 HydrophobicContact CB-CD1 3.59Å
84T98.7Very high98.4Very high0 Ų022 Ų220%013%0.125CC..Hα-helixtrans-60.2-53.7178.7-58.30000111.4V42 I80 Y81 F82 G88 V89 V110 A114V42-T84 WeakPolarHBondContact CG2-OG1 3.31Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 PolarHBondContact O-N 3Å; I80-T84 PolarHBondContact O-OG1 2.96Å; Y81-T84 WeakPolarHBondContact O-CB 3.44Å; Y81-T84 PolarHBondContact O-N 3.1Å; F82-T84 PolarHBondContact O-N 3.31Å; T84-G88 PolarHBondContact O-N 3.5Å; T84-V89 HydrophobicContact CG2-CG2 4.23Å; T84-V89 PolarHBondContact O-N 3.42Å; T84-V110 HydrophobicContact CG2-CG2 4.29Å; T84-A114 HydrophobicContact CG2-CB 4.42Å
85F98.1Very high98.4Very high49 Ų4917.9 Ų17.922%0.21511%0.105CC..Hα-helixtrans-78.3-32.5-176.975.6-110000112.8Y81 F82 G88 F338 A339Y81-F85 WeakPolarHBondContact O-CD1 3.43Å; Y81-F85 PolarHBondContact O-N 3.32Å; Y81-F85 VanDerWaalsContact O-N 3.14Å; F82-F85 VanDerWaalsContact CA-CE1 3.41Å; F82-F85 HydrophobicContact CB-CE1 4.26Å; F82-F85 HydrophobicContact CB-CZ 4.48Å; F82-F85 HydrophobicContact CD2-CE1 4.14Å; F82-F85 HydrophobicContact CD2-CE2 4.01Å; F82-F85 AromaticContact CD2-CZ 3.53Å; F82-F85 HydrophobicContact CD2-CZ 3.53Å; F82-F85 HydrophobicContact CE2-CE2 4.26Å; F82-F85 HydrophobicContact CE2-CZ 4.17Å; F82-F85 HydrophobicContact CG-CZ 4.41Å; F82-F85 PolarHBondContact O-N 2.73Å; F85-G88 PolarHBondContact O-N 2.98Å; F85-F338 AromaticContact CE1-CD2 3.98Å; F85-F338 HydrophobicContact CE1-CD2 3.98Å; F85-F338 HydrophobicContact CE1-CE2 4.11Å; F85-F338 HydrophobicContact CE1-CG 4.25Å; F85-F338 HydrophobicContact CE1-CZ 4.47Å; F85-F338 AromaticContact CZ-CD2 3.83Å; F85-F338 HydrophobicContact CZ-CD2 3.83Å; F85-F338 HydrophobicContact CZ-CE2 4.05Å; F85-F338 HydrophobicContact CZ-CG 4.43Å; F85-A339 HydrophobicContact CB-CB 3.87Å; F85-A339 HydrophobicContact CD1-CB 3.31Å; F85-A339 HydrophobicContact CD2-CB 4.36Å; F85-A339 HydrophobicContact CE1-CB 3.82Å; F85-A339 HydrophobicContact CG-CB 3.63Å
86H98.4Very high98.4Very high92 Ų9217.9 Ų17.943%0.42611%0.105SC..Hα-helixtrans-67-43.2-179.4179.276.9000111.9F82 G88F82-H86 HydrophobicContact CD1-CB 4.31Å; F82-H86 HydrophobicContact CD2-CB 4.43Å; F82-H86 HydrophobicContact CE1-CB 3.94Å; F82-H86 AromaticContact CE1-CG 3.85Å; F82-H86 HydrophobicContact CE2-CB 4.05Å; F82-H86 HydrophobicContact CZ-CB 3.8Å; F82-H86 AromaticContact CZ-CG 3.56Å; F82-H86 AromaticContact CZ-ND1 3.53Å; F82-H86 WeakPolarHBondContact O-CB 3.49Å; F82-H86 PolarHBondContact O-N 2.95Å; H86-G88 VanDerWaalsContact C-N 3.32Å
87L98.4Very high98.3Very high66 Ų6617.9 Ų17.935%0.34611%0.105SC..Hα-helixtrans-81.5-12177-62.8179.6000113.2V42 L70 A83 V89 I149 L151V42-L87 HydrophobicContact CG1-CD1 3.87Å; L70-L87 HydrophobicContact CD1-CD1 3.75Å; A83-L87 VanDerWaalsContact O-CB 3.31Å; A83-L87 WeakPolarHBondContact O-CB 3.43Å; A83-L87 WeakPolarHBondContact O-CG 3.3Å; A83-L87 PolarHBondContact O-N 3.31Å; A83-L87 VanDerWaalsContact O-N 3.07Å; L87-V89 VanDerWaalsContact C-N 3.28Å; L87-V89 HydrophobicContact CB-CG1 3.83Å; L87-V89 HydrophobicContact CB-CG2 4.47Å; L87-V89 HydrophobicContact CD1-CG1 4.48Å; L87-V89 PolarHBondContact O-N 3.23Å; L87-I149 HydrophobicContact CD1-CD1 3.76Å; L87-L151 HydrophobicContact CD1-CD1 3.88Å; L87-L151 HydrophobicContact CD2-CD1 4.27Å; L87-L151 HydrophobicContact CD2-CD2 4.22Å; L87-L151 HydrophobicContact CG-CD1 3.98Å
88G98.1Very high98Very high63 Ų6318 Ų1865%0.64911%0.106SC*.THydrogen-bonded Turntrans63.134.1-174.800000113T84 F85 H86T84-G88 PolarHBondContact O-N 3.5Å; F85-G88 PolarHBondContact O-N 2.98Å; H86-G88 VanDerWaalsContact C-N 3.32Å
89V98.5Very high97.6Very high17 Ų1719.9 Ų19.910%0.10311%0.114CC..  trans-84.3169178.5-66.20000111.6T40 V42 L70 T84 L87 G91T40-V89 HydrophobicContact CG2-CG1 3.92Å; V42-V89 HydrophobicContact CG1-CG2 4.01Å; V42-V89 HydrophobicContact CG2-CG2 4.38Å; L70-V89 HydrophobicContact CD1-CG1 4.23Å; T84-V89 HydrophobicContact CG2-CG2 4.23Å; T84-V89 PolarHBondContact O-N 3.42Å; L87-V89 VanDerWaalsContact C-N 3.28Å; L87-V89 HydrophobicContact CB-CG1 3.83Å; L87-V89 HydrophobicContact CB-CG2 4.47Å; L87-V89 HydrophobicContact CD1-CG1 4.48Å; L87-V89 PolarHBondContact O-N 3.23Å; V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 3.18Å
90D98.3Very high97.2Very high61 Ų6119.7 Ų19.733%0.32611%0.114SC..SBendtrans-79.8-7.2-170-54.2-58000113.5P38 K39 T40 R111 E112P38-D90 HydrophobicContact CB-CB 3.5Å; K39-D90 WeakPolarHBondContact CA-OD2 3.34Å; K39-D90 WeakPolarHBondContact CB-OD2 3.42Å; K39-D90 PolarHBondContact N-OD2 3.33Å; T40-D90 PolarHBondContact N-OD2 3.45Å; T40-D90 WeakPolarHBondContact O-CB 3.46Å; T40-D90 PolarHBondContact O-N 3.02Å; D90-R111 CarbonylContact O-C 3.18Å; D90-R111 VanDerWaalsContact O-C 3.32Å; D90-R111 WeakPolarHBondContact O-CA 3.5Å; D90-E112 PolarHBondContact O-N 2.99Å
91G98.2Very high96.8Very high0 Ų022.8 Ų22.80%013%0.134CC..EExtended strand (participates in β ladder)trans170.2-175.7177.700000114.1I41 V42 V89 V110I41-G91 VanDerWaalsContact CA-O 3.28Å; I41-G91 WeakPolarHBondContact CA-O 3.35Å; I41-G91 WeakPolarHBondContact CB-O 3.43Å; V42-G91 PolarHBondContact N-O 3.08Å; V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 3.18Å; G91-V110 CarbonylContact C-O 3.59Å; G91-V110 WeakPolarHBondContact CA-O 3.33Å
92G98.4Very high96.7Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans-158148.3-177.400000112.3V42 V110V42-G92 CarbonylContact O-C 3.53Å; V42-G92 WeakPolarHBondContact O-CA 3.22Å; G92-V110 PolarHBondContact N-O 3.49Å; G92-V110 WeakPolarHBondContact O-CG2 3.24Å; G92-V110 PolarHBondContact O-N 3.28Å
93I98.6Very high96.5Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-132.6129.3173-54.9175.2000109.5Y32 I41 V42 L43 G44 L58 L62 M107 K108 L109Y32-I93 HydrophobicContact CD2-CD1 4.14Å; Y32-I93 HydrophobicContact CE2-CD1 4.21Å; Y32-I93 HydrophobicContact CE2-CG1 4.47Å; Y32-I93 HydrophobicContact CG-CD1 4.32Å; I41-I93 HydrophobicContact CD1-CD1 4.05Å; I41-I93 HydrophobicContact CD1-CG1 4.2Å; V42-I93 PolarHBondContact O-N 3.26Å; L43-I93 WeakPolarHBondContact CA-O 3.47Å; L43-I93 HydrophobicContact CD1-CB 3.89Å; L43-I93 HydrophobicContact CD1-CG2 4.31Å; L43-I93 WeakPolarHBondContact CD1-O 3.37Å; G44-I93 PolarHBondContact N-O 3.03Å; G44-I93 VanDerWaalsContact N-O 3.13Å; L58-I93 HydrophobicContact CD1-CD1 4.29Å; L58-I93 HydrophobicContact CD2-CB 4.17Å; L58-I93 HydrophobicContact CD2-CD1 4.07Å; L58-I93 HydrophobicContact CD2-CG2 3.62Å; L62-I93 HydrophobicContact CD1-CD1 4.47Å; I93-M107 HydrophobicContact CG2-CB 4.02Å; I93-M107 HydrophobicContact CG2-CG 4.48Å; I93-K108 WeakPolarHBondContact CA-O 3.49Å; I93-L109 HydrophobicContact CD1-CD2 3.89Å; I93-L109 HydrophobicContact CD1-CG 4.29Å; I93-L109 HydrophobicContact CG1-CB 4.44Å; I93-L109 HydrophobicContact CG1-CD2 4.17Å; I93-L109 HydrophobicContact CG1-CG 4.05Å; I93-L109 HydrophobicContact CG2-CG 4.21Å
94E98.5Very high96.4Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-102124.5167.5179.462.2-168.900109G45 D46 S75 I80 T96 M107 K108G45-E94 VanDerWaalsContact CA-OE1 3.28Å; G45-E94 WeakPolarHBondContact CA-OE1 3.43Å; G45-E94 PolarHBondContact N-OE2 3.25Å; D46-E94 PolarHBondContact N-OE1 2.86Å; D46-E94 VanDerWaalsContact N-OE1 3.11Å; S75-E94 PolarHBondContact OG-OE2 3.01Å; I80-E94 HydrophobicContact CB-CB 4.28Å; I80-E94 HydrophobicContact CG1-CB 3.85Å; I80-E94 HydrophobicContact CG1-CG 4.48Å; I80-E94 WeakPolarHBondContact CG1-OE2 3.2Å; E94-T96 HydrophobicContact CB-CG2 4.45Å; E94-T96 HydrophobicContact CG-CG2 3.7Å; E94-T96 PolarHBondContact O-N 3.2Å; E94-M107 CarbonylContact O-C 3.58Å; E94-M107 VanDerWaalsContact O-CA 3.23Å; E94-M107 WeakPolarHBondContact O-CA 3.38Å; E94-K108 HydrophobicContact CB-CB 4.48Å; E94-K108 PolarHBondContact N-O 3.26Å; E94-K108 PolarHBondContact O-N 3.42Å
95V98.8Very high96.3Very high0 Ų033.1 Ų33.10%018%0.183CC..EExtended strand (participates in β ladder)trans-87.2103.3170.5-177.90000108.8L43 G44 G45 D46 S51 L54 K55 L58 G106 M107L43-V95 HydrophobicContact CD1-CG2 4.41Å; G44-V95 PolarHBondContact O-N 3.33Å; G45-V95 CarbonylContact C-O 3.56Å; G45-V95 WeakPolarHBondContact CA-O 3.27Å; D46-V95 PolarHBondContact N-O 2.96Å; S51-V95 PolarHBondContact OG-O 3.45Å; L54-V95 HydrophobicContact CB-CG1 3.94Å; L54-V95 HydrophobicContact CD1-CG1 4.49Å; K55-V95 HydrophobicContact CB-CB 4.41Å; K55-V95 HydrophobicContact CB-CG2 3.93Å; K55-V95 HydrophobicContact CG-CG2 4.28Å; L58-V95 HydrophobicContact CD2-CG2 3.93Å; V95-G106 WeakPolarHBondContact CA-O 3.2Å; V95-M107 HydrophobicContact CG2-CG 4.38Å
96T98.2Very high96.3Very high2 Ų230.8 Ų30.81%0.01217%0.173CC..  trans-149146.6-175.8-1800000112.7D46 E94 S98 N105 G106 K108 D247D46-T96 VanDerWaalsContact OD2-CA 3.24Å; D46-T96 WeakPolarHBondContact OD2-CA 3.43Å; D46-T96 WeakPolarHBondContact OD2-CB 3.5Å; D46-T96 PolarHBondContact OD2-OG1 3.43Å; E94-T96 HydrophobicContact CB-CG2 4.45Å; E94-T96 HydrophobicContact CG-CG2 3.7Å; E94-T96 PolarHBondContact O-N 3.2Å; T96-S98 PolarHBondContact OG1-N 3.35Å; T96-N105 VanDerWaalsContact C-OD1 3.26Å; T96-G106 PolarHBondContact N-O 3.13Å; T96-G106 CarbonylContact O-C 3.52Å; T96-G106 WeakPolarHBondContact O-CA 3.23Å; T96-G106 PolarHBondContact O-N 3.29Å; T96-G106 VanDerWaalsContact O-N 3.12Å; T96-K108 HydrophobicContact CG2-CD 4.05Å; T96-K108 HydrophobicContact CG2-CG 4.23Å; T96-D247 HydrophobicContact CG2-CB 4.42Å; T96-D247 WeakPolarHBondContact OG1-CB 3.38Å
97A95.2Very high96.3Very high0 Ų026.4 Ų26.40%015%0.152CC..  trans-94.7-5.6169.400000112.9D46 R48 H99 N100 N105D46-A97 PolarHBondContact OD2-N 3.31Å; R48-A97 HydrophobicContact CG-CB 3.91Å; A97-H99 PolarHBondContact O-N 3.05Å; A97-H99 VanDerWaalsContact O-N 3.08Å; A97-N100 WeakPolarHBondContact O-CB 3.47Å; A97-N100 PolarHBondContact O-N 3.05Å; A97-N105 PolarHBondContact N-OD1 2.93Å
98S92.3Very high96.2Very high3 Ų323.8 Ų23.82%0.02114%0.138CC..THydrogen-bonded Turntrans48.1-112.3-170.21760000110.6R48 T96 D245 D247R48-S98 PolarHBondContact NH2-O 3.46Å; T96-S98 PolarHBondContact OG1-N 3.35Å; S98-D245 PolarHBondContact OG-OD2 2.52Å; S98-D245 VanDerWaalsContact OG-OD2 3.07Å; S98-D247 WeakPolarHBondContact CA-OD1 3.36Å; S98-D247 WeakPolarHBondContact CB-OD1 3.38Å; S98-D247 PolarHBondContact OG-OD1 2.77Å; S98-D247 VanDerWaalsContact OG-OD1 3.09Å
99H89.8Confident96.1Very high39 Ų3921 Ų2118%0.18111%0.108CC..THydrogen-bonded Turntrans-106.311.618060.1-82.2000114.3A97 N219 R250A97-H99 PolarHBondContact O-N 3.05Å; A97-H99 VanDerWaalsContact O-N 3.08Å; H99-N219 HydrophobicContact CB-CB 4.12Å; H99-R250 VanDerWaalsContact CG-NH2 3.29Å; H99-R250 PolarHBondContact ND1-NH2 3.36Å
100N89.8Confident96Very high14 Ų1420.3 Ų20.38%0.07510%0.104CC..SBendtrans-66.8161.3178-82.129.4000111.9R13 R48 A97 Y104R13-N100 PolarHBondContact NH1-OD1 3.31Å; R48-N100 PolarHBondContact NH1-O 3.42Å; R48-N100 PolarHBondContact NH2-O 3.48Å; A97-N100 WeakPolarHBondContact O-CB 3.47Å; A97-N100 PolarHBondContact O-N 3.05Å; N100-Y104 HydrophobicContact CB-CG 4.23Å
101P91.5Very high95.8Very high67 Ų6721.2 Ų21.244%0.43510%0.103SC..  trans-53.2165.8176.5-27.336000115R48 D103 Y104R48-P101 PolarHBondContact NH1-O 3.49Å; P101-D103 WeakPolarHBondContact CB-OD1 3.49Å; P101-D103 PolarHBondContact O-N 3.32Å; P101-Y104 HydrophobicContact CB-CD2 4.02Å; P101-Y104 HydrophobicContact CB-CE2 4.49Å; P101-Y104 HydrophobicContact CG-CD2 4.24Å; P101-Y104 HydrophobicContact CG-CE2 4.44Å; P101-Y104 PolarHBondContact O-N 3.32Å; P101-Y104 VanDerWaalsContact O-N 3.11Å
102M94.4Very high95.7Very high90 Ų9025.4 Ų25.444%0.44312%0.122SC..THydrogen-bonded Turntrans-57.8-32.7-177.9-72.7-60.2-72.500114Y104 G211 F213 I217M102-Y104 PolarHBondContact O-N 2.98Å; M102-G211 WeakPolarHBondContact CE-O 3.19Å; M102-F213 HydrophobicContact SD-CD2 3.6Å; M102-F213 VanDerWaalsContact SD-CD2 3.6Å; M102-F213 HydrophobicContact SD-CE2 4.14Å; M102-I217 HydrophobicContact CG-CD1 4.24Å; M102-I217 HydrophobicContact SD-CD1 4.47Å; M102-I217 HydrophobicContact SD-CG1 4.41Å
103D95.8Very high95.6Very high62 Ų6227 Ų2733%0.33214%0.139SC..THydrogen-bonded Turntrans-84.915.3-179.566.4-32.6000113.5K15 L16 P101K15-D103 CarbonylContact C-O 3.57Å; K15-D103 WeakPolarHBondContact CA-O 3.34Å; K15-D103 WeakPolarHBondContact CE-OD2 3.16Å; K15-D103 IonicContact NZ-OD2 3.31Å; K15-D103 PolarHBondContact NZ-OD2 3.17Å; L16-D103 PolarHBondContact N-O 3.07Å; P101-D103 WeakPolarHBondContact CB-OD1 3.49Å; P101-D103 PolarHBondContact O-N 3.32Å
104Y96Very high95.5Very high70 Ų7027 Ų2728%0.27514%0.139SC..EExtended strand (participates in β ladder)trans-120153.3178.6-77.7-107.1000112.4G14 K15 R48 N100 P101 M102G14-Y104 VanDerWaalsContact C-CD1 3.45Å; G14-Y104 WeakPolarHBondContact O-CA 3.33Å; K15-Y104 HydrophobicContact CB-CE1 4.21Å; K15-Y104 HydrophobicContact CB-CE2 4.32Å; K15-Y104 HydrophobicContact CG-CE2 4.48Å; R48-Y104 PolarHBondContact NH1-O 3.48Å; N100-Y104 HydrophobicContact CB-CG 4.23Å; P101-Y104 HydrophobicContact CB-CD2 4.02Å; P101-Y104 HydrophobicContact CB-CE2 4.49Å; P101-Y104 HydrophobicContact CG-CD2 4.24Å; P101-Y104 HydrophobicContact CG-CE2 4.44Å; P101-Y104 PolarHBondContact O-N 3.32Å; P101-Y104 VanDerWaalsContact O-N 3.11Å; M102-Y104 PolarHBondContact O-N 2.98Å
105N97.7Very high95.4Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-146.8-179.9161.7-149.5-37.8000110.2G14 L16 L20 T50 S51 L54 T96 A97G14-N105 PolarHBondContact N-O 3.03Å; G14-N105 PolarHBondContact O-N 3.36Å; G14-N105 VanDerWaalsContact O-N 3.11Å; L16-N105 HydrophobicContact CD2-CB 3.81Å; L16-N105 HydrophobicContact CG-CB 4.37Å; L20-N105 VanDerWaalsContact CD2-C 3.45Å; L20-N105 HydrophobicContact CD2-CB 4.01Å; L20-N105 WeakPolarHBondContact CD2-O 3.47Å; T50-N105 PolarHBondContact OG1-ND2 2.68Å; T50-N105 VanDerWaalsContact OG1-ND2 3.07Å; S51-N105 PolarHBondContact OG-ND2 3.3Å; L54-N105 HydrophobicContact CD1-CB 3.69Å; T96-N105 VanDerWaalsContact C-OD1 3.26Å; A97-N105 PolarHBondContact N-OD1 2.93Å
106G97.3Very high95.1Very high0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-167.7-178-173.500000114I12 V95 T96I12-G106 CarbonylContact O-C 3.54Å; I12-G106 WeakPolarHBondContact O-CA 3.34Å; V95-G106 WeakPolarHBondContact CA-O 3.2Å; T96-G106 PolarHBondContact N-O 3.13Å; T96-G106 CarbonylContact O-C 3.52Å; T96-G106 WeakPolarHBondContact O-CA 3.23Å; T96-G106 PolarHBondContact O-N 3.29Å; T96-G106 VanDerWaalsContact O-N 3.12Å
107M98Very high94.8Very high1 Ų132.6 Ų32.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-144.5132178.1-57172.9178.100110D11 I12 L20 A25 I28 L58 I93 E94 V95 L109D11-M107 WeakPolarHBondContact CB-O 3.33Å; I12-M107 HydrophobicContact CB-CB 4.15Å; I12-M107 HydrophobicContact CD1-CB 4.44Å; I12-M107 HydrophobicContact CD1-SD 4.38Å; I12-M107 PolarHBondContact N-O 2.84Å; I12-M107 PolarHBondContact O-N 3.45Å; L20-M107 HydrophobicContact CD1-CE 4.46Å; A25-M107 HydrophobicContact CB-CE 3.6Å; I28-M107 HydrophobicContact CB-SD 4.41Å; I28-M107 HydrophobicContact CD1-CE 4.33Å; I28-M107 HydrophobicContact CD1-SD 3.93Å; I28-M107 HydrophobicContact CG2-SD 3.9Å; L58-M107 HydrophobicContact CB-CE 4.23Å; L58-M107 HydrophobicContact CD1-CE 4.28Å; L58-M107 HydrophobicContact CD1-SD 4.07Å; L58-M107 HydrophobicContact CD2-CE 4.02Å; L58-M107 HydrophobicContact CD2-SD 3.9Å; L58-M107 HydrophobicContact CG-CE 4.42Å; I93-M107 HydrophobicContact CG2-CB 4.02Å; I93-M107 HydrophobicContact CG2-CG 4.48Å; E94-M107 CarbonylContact O-C 3.58Å; E94-M107 VanDerWaalsContact O-CA 3.23Å; E94-M107 WeakPolarHBondContact O-CA 3.38Å; V95-M107 HydrophobicContact CG2-CG 4.38Å; M107-L109 HydrophobicContact CB-CD1 4.04Å; M107-L109 WeakPolarHBondContact O-CD1 3.5Å
108K96Very high94.4Very high11 Ų1132.8 Ų32.85%0.04816%0.163CC..EExtended strand (participates in β ladder)trans-105.4127.5169.5-66176.5-179.1171.80108.6D11 T77 I93 E94 T96 D247 D249D11-K108 HydrophobicContact CB-CG 4.34Å; T77-K108 HydrophobicContact CG2-CD 3.58Å; T77-K108 WeakPolarHBondContact OG1-CD 3.47Å; T77-K108 PolarHBondContact OG1-NZ 2.89Å; I93-K108 WeakPolarHBondContact CA-O 3.49Å; E94-K108 HydrophobicContact CB-CB 4.48Å; E94-K108 PolarHBondContact N-O 3.26Å; E94-K108 PolarHBondContact O-N 3.42Å; T96-K108 HydrophobicContact CG2-CD 4.05Å; T96-K108 HydrophobicContact CG2-CG 4.23Å; K108-D247 IonicContact NZ-OD2 2.96Å; K108-D247 PolarHBondContact NZ-OD2 2.98Å; K108-D249 IonicContact NZ-OD1 3.94Å; K108-D249 IonicContact NZ-OD2 2.75Å; K108-D249 PolarHBondContact NZ-OD2 3.46Å
109L96.5Very high94.1Very high4 Ų433.5 Ų33.52%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-119.1133.6-170.3-58.690.2000111I12 Y32 I93 M107 I117 L123I12-L109 HydrophobicContact CD1-CD1 3.92Å; I12-L109 HydrophobicContact CG1-CD1 3.99Å; Y32-L109 HydrophobicContact CD2-CD2 3.59Å; Y32-L109 HydrophobicContact CE2-CB 4.45Å; Y32-L109 HydrophobicContact CE2-CD2 3.91Å; I93-L109 HydrophobicContact CD1-CD2 3.89Å; I93-L109 HydrophobicContact CD1-CG 4.29Å; I93-L109 HydrophobicContact CG1-CB 4.44Å; I93-L109 HydrophobicContact CG1-CD2 4.17Å; I93-L109 HydrophobicContact CG1-CG 4.05Å; I93-L109 HydrophobicContact CG2-CG 4.21Å; M107-L109 HydrophobicContact CB-CD1 4.04Å; M107-L109 WeakPolarHBondContact O-CD1 3.5Å; L109-I117 HydrophobicContact CB-CB 4.19Å; L109-I117 HydrophobicContact CB-CD1 4.13Å; L109-I117 PolarHBondContact O-N 2.83Å; L109-L123 HydrophobicContact CD1-CD1 4.16Å
110V96.1Very high93.8Very high2 Ų237.3 Ų37.31%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-132151.9174-62.80000111.5Y32 I80 Y81 T84 G91 G92 A114 R115Y32-V110 PolarHBondContact OH-O 2.96Å; Y32-V110 VanDerWaalsContact OH-O 3.05Å; I80-V110 HydrophobicContact CG2-CG2 4.49Å; Y81-V110 HydrophobicContact CD1-CG1 3.77Å; Y81-V110 HydrophobicContact CD1-CG2 4.26Å; Y81-V110 HydrophobicContact CE1-CG1 3.53Å; T84-V110 HydrophobicContact CG2-CG2 4.29Å; G91-V110 CarbonylContact C-O 3.59Å; G91-V110 WeakPolarHBondContact CA-O 3.33Å; G92-V110 PolarHBondContact N-O 3.49Å; G92-V110 WeakPolarHBondContact O-CG2 3.24Å; G92-V110 PolarHBondContact O-N 3.28Å; V110-A114 HydrophobicContact CG2-CB 4.4Å; V110-R115 CarbonylContact C-O 3.59Å; V110-R115 WeakPolarHBondContact CA-O 3.5Å; V110-R115 WeakPolarHBondContact CB-O 3.34Å
111R95.6Very high93.6Very high81 Ų8139 Ų3931%0.30620%0.203SC..EExtended strand (participates in β ladder)trans-103.8-162170.168.2177.7-158.3-145.7-3111.2D90 G113 A114 R115 I117D90-R111 CarbonylContact O-C 3.18Å; D90-R111 VanDerWaalsContact O-C 3.32Å; D90-R111 WeakPolarHBondContact O-CA 3.5Å; R111-G113 PolarHBondContact O-N 3.28Å; R111-A114 WeakPolarHBondContact O-CA 3.44Å; R111-A114 PolarHBondContact O-N 3.36Å; R111-R115 HydrophobicContact CG-CB 3.79Å; R111-R115 PolarHBondContact N-O 2.84Å; R111-R115 PolarHBondContact O-N 2.92Å; R111-I117 HydrophobicContact CB-CD1 4.1Å; R111-I117 HydrophobicContact CB-CG1 4.22Å; R111-I117 HydrophobicContact CG-CG1 4.44Å
112E95.8Very high93.7Very high87 Ų8735.9 Ų35.941%0.40718%0.184SC..G310 helixtrans-48.6137.2-176.875.4-66.2154.500113.2D90 A114 R115D90-E112 PolarHBondContact O-N 2.99Å; E112-A114 PolarHBondContact O-N 3.44Å; E112-R115 WeakPolarHBondContact O-CG 3.36Å; E112-R115 PolarHBondContact O-N 3.5Å
113G95.7Very high93.7Very high33 Ų3331.6 Ų31.634%0.3416%0.162SC..G310 helixtrans61.130-176.300000113.7R111 R115 R319R111-G113 PolarHBondContact O-N 3.28Å; G113-R115 PolarHBondContact O-N 3.29Å; G113-R319 PolarHBondContact O-NH2 3.08Å
114A96.5Very high93.7Very high0 Ų033.4 Ų33.40%016%0.164CC..G310 helixtrans54.135.9-178.800000113.8Y81 T84 V110 R111 E112 R319 C341Y81-A114 HydrophobicContact CD1-CB 4.43Å; T84-A114 HydrophobicContact CG2-CB 4.42Å; V110-A114 HydrophobicContact CG2-CB 4.4Å; R111-A114 WeakPolarHBondContact O-CA 3.44Å; R111-A114 PolarHBondContact O-N 3.36Å; E112-A114 PolarHBondContact O-N 3.44Å; A114-R319 PolarHBondContact O-NH2 3.24Å; A114-C341 PolarHBondContact O-SG 3.13Å
115R95.6Very high93.7Very high104 Ų10432 Ų3239%0.39216%0.162SC..EExtended strand (participates in β ladder)trans-74.9133176.8-70.9170.9-177-88.1-2.6110V110 R111 E112 G113V110-R115 CarbonylContact C-O 3.59Å; V110-R115 WeakPolarHBondContact CA-O 3.5Å; V110-R115 WeakPolarHBondContact CB-O 3.34Å; R111-R115 HydrophobicContact CG-CB 3.79Å; R111-R115 PolarHBondContact N-O 2.84Å; R111-R115 PolarHBondContact O-N 2.92Å; E112-R115 WeakPolarHBondContact O-CG 3.36Å; E112-R115 PolarHBondContact O-N 3.5Å; G113-R115 PolarHBondContact O-N 3.29Å
116P93.1Very high93.7Very high15 Ų1532 Ų3210%0.09716%0.162CC..EExtended strand (participates in β ladder)trans-65.2140-17727.4-34.9000112T121 A312 K315P116-T121 PolarHBondContact O-OG1 3.45Å; P116-A312 HydrophobicContact CB-CB 4.22Å; P116-A312 HydrophobicContact CG-CB 4.3Å; P116-K315 HydrophobicContact CB-CD 4.43Å; P116-K315 HydrophobicContact CG-CB 4.03Å; P116-K315 HydrophobicContact CG-CD 4.19Å
117I92.5Very high93.7Very high1 Ų132.8 Ų32.81%0.00517%0.165CC..  trans-99.9108.4167.7-61.8161000107.8Y32 L36 L109 R111 L123Y32-I117 HydrophobicContact CD2-CD1 4.41Å; Y32-I117 HydrophobicContact CE2-CD1 3.44Å; Y32-I117 VanDerWaalsContact CE2-CD1 3.44Å; L36-I117 HydrophobicContact CD1-CD1 3.55Å; L109-I117 HydrophobicContact CB-CB 4.19Å; L109-I117 HydrophobicContact CB-CD1 4.13Å; L109-I117 PolarHBondContact O-N 2.83Å; R111-I117 HydrophobicContact CB-CD1 4.1Å; R111-I117 HydrophobicContact CB-CG1 4.22Å; R111-I117 HydrophobicContact CG-CG1 4.44Å; I117-L123 HydrophobicContact CG2-CB 4.09Å
118S87.5Confident93.7Very high5 Ų539.6 Ų39.64%0.03519%0.191CC..  trans-114.6175.7-175.1-58.70000110.7D120 T121 G122 L123 A312S118-D120 PolarHBondContact O-N 2.92Å; S118-D120 VanDerWaalsContact O-N 3.12Å; S118-T121 PolarHBondContact N-OG1 3.31Å; S118-T121 PolarHBondContact O-N 2.98Å; S118-G122 PolarHBondContact O-N 2.93Å; S118-L123 WeakPolarHBondContact O-CB 3.39Å; S118-L123 PolarHBondContact O-N 2.94Å; S118-A312 WeakPolarHBondContact OG-CB 3.4Å
119G85Confident93.7Very high17 Ų1742 Ų4218%0.17520%0.204CC..Iπ-helixtrans-48.9-41.6-177.500000113.9A9 R124A9-G119 PolarHBondContact O-N 3.05Å; G119-R124 WeakPolarHBondContact O-CB 3.4Å; G119-R124 WeakPolarHBondContact O-CG 3.4Å
120D83.1Confident93.8Very high120 Ų12041.8 Ų41.864%0.64220%0.203SC*.Iπ-helixtrans-93-9-17956.5-17.5000114.5S118S118-D120 PolarHBondContact O-N 2.92Å; S118-D120 VanDerWaalsContact O-N 3.12Å
121T86.7Confident93.8Very high49 Ų4943.2 Ų43.230%0.30121%0.21SC..Iπ-helixtrans-113.118.1-179.766.10000113.9P116 S118P116-T121 PolarHBondContact O-OG1 3.45Å; S118-T121 PolarHBondContact N-OG1 3.31Å; S118-T121 PolarHBondContact O-N 2.98Å
122G92.9Very high93.9Very high2 Ų241.1 Ų41.12%0.02121%0.21CC..Iπ-helixtrans130.4-14.9168.600000115.1S118 R124 D125 V126S118-G122 PolarHBondContact O-N 2.93Å; G122-R124 VanDerWaalsContact C-N 3.28Å; G122-R124 PolarHBondContact O-N 3.33Å; G122-D125 PolarHBondContact O-N 2.8Å; G122-V126 WeakPolarHBondContact O-CG2 3.16Å; G122-V126 PolarHBondContact O-N 3.4Å
123L94.6Very high93.9Very high0 Ų040.2 Ų40.20%021%0.208CC..Iπ-helixtrans-62.8-35.1-176.6-172.560000112.1F7 I12 L109 I117 S118 Q127F7-L123 HydrophobicContact CD1-CD1 3.72Å; F7-L123 HydrophobicContact CD1-CG 3.91Å; F7-L123 HydrophobicContact CE1-CD1 3.89Å; F7-L123 HydrophobicContact CE1-CG 4.49Å; I12-L123 HydrophobicContact CD1-CD1 4.31Å; I12-L123 HydrophobicContact CG1-CD1 4.04Å; L109-L123 HydrophobicContact CD1-CD1 4.16Å; I117-L123 HydrophobicContact CG2-CB 4.09Å; S118-L123 WeakPolarHBondContact O-CB 3.39Å; S118-L123 PolarHBondContact O-N 2.94Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.93Å
124R95.5Very high93.9Very high99 Ų9945.7 Ų45.737%0.37423%0.229SC..Hα-helixtrans-73.4-26175.3-67-63.4-178.4-158-7.4113.3F7 K8 G119 G122 Q127 R128F7-R124 PolarHBondContact O-NH1 3.44Å; K8-R124 PolarHBondContact O-NH2 2.72Å; G119-R124 WeakPolarHBondContact O-CB 3.4Å; G119-R124 WeakPolarHBondContact O-CG 3.4Å; G122-R124 VanDerWaalsContact C-N 3.28Å; G122-R124 PolarHBondContact O-N 3.33Å; R124-Q127 WeakPolarHBondContact O-CB 3.49Å; R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 PolarHBondContact O-N 2.87Å
125D96.4Very high93.9Very high42 Ų4247.2 Ų47.223%0.22524%0.236CC..Hα-helixtrans-74.6-42.8173.8-61.4-63.7000110.7F35 G122 Q127 R128 L129F35-D125 HydrophobicContact CD1-CB 4.08Å; F35-D125 HydrophobicContact CD2-CB 3.81Å; F35-D125 HydrophobicContact CE1-CB 3.75Å; F35-D125 HydrophobicContact CE2-CB 3.42Å; F35-D125 VanDerWaalsContact CE2-CB 3.42Å; F35-D125 HydrophobicContact CG-CB 4.13Å; F35-D125 HydrophobicContact CZ-CB 3.4Å; G122-D125 PolarHBondContact O-N 2.8Å; D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 3.29Å; D125-R128 PolarHBondContact O-N 2.95Å; D125-R128 IonicContact OD1-CZ 3.9Å; D125-R128 VanDerWaalsContact OD1-CZ 3.22Å; D125-R128 IonicContact OD1-NH1 3.72Å; D125-R128 PolarHBondContact OD1-NH1 3.5Å; D125-R128 IonicContact OD1-NH2 3.62Å; D125-R128 PolarHBondContact OD1-NH2 2.95Å; D125-L129 PolarHBondContact O-N 3.13Å
126V97.2Very high93.8Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-57.5-44.7169.6176.50000110.4F7 A31 F35 G122 R128 L129 A130F7-V126 HydrophobicContact CE1-CB 4.39Å; F7-V126 HydrophobicContact CE1-CG1 4.05Å; F7-V126 HydrophobicContact CZ-CG1 4.29Å; A31-V126 HydrophobicContact CB-CG1 3.88Å; A31-V126 WeakPolarHBondContact CB-O 3.28Å; F35-V126 HydrophobicContact CB-CG2 4.42Å; F35-V126 HydrophobicContact CD1-CG2 4.07Å; G122-V126 WeakPolarHBondContact O-CG2 3.16Å; G122-V126 PolarHBondContact O-N 3.4Å; V126-R128 PolarHBondContact O-N 2.94Å; V126-L129 PolarHBondContact O-N 2.97Å; V126-A130 VanDerWaalsContact O-CB 3.27Å; V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 2.95Å
127Q97.5Very high93.9Very high15 Ų1551 Ų517%0.0727%0.274CS..Hα-helixtrans-55.8-50174.5-178.7177.42.700111.9L4 F7 L123 R124 D125 L129 A130 E131L4-Q127 PolarHBondContact O-NE2 3.48Å; L4-Q127 VanDerWaalsContact O-NE2 3.08Å; F7-Q127 HydrophobicContact CB-CB 4.21Å; F7-Q127 HydrophobicContact CB-CG 4.03Å; F7-Q127 HydrophobicContact CD1-CB 3.57Å; F7-Q127 HydrophobicContact CD1-CG 4.16Å; F7-Q127 HydrophobicContact CD2-CB 3.96Å; F7-Q127 HydrophobicContact CD2-CG 3.66Å; F7-Q127 HydrophobicContact CE1-CB 3.75Å; F7-Q127 HydrophobicContact CE2-CB 4.14Å; F7-Q127 HydrophobicContact CE2-CG 4.08Å; F7-Q127 HydrophobicContact CG-CB 3.65Å; F7-Q127 HydrophobicContact CG-CG 3.69Å; F7-Q127 HydrophobicContact CZ-CB 4.02Å; F7-Q127 HydrophobicContact CZ-CG 4.47Å; L123-Q127 WeakPolarHBondContact O-CB 3.38Å; L123-Q127 PolarHBondContact O-N 2.93Å; R124-Q127 WeakPolarHBondContact O-CB 3.49Å; D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 3.29Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.13Å; Q127-A130 PolarHBondContact O-N 3.49Å; Q127-E131 HydrophobicContact CG-CG 4.2Å; Q127-E131 PolarHBondContact NE2-OE1 3.26Å; Q127-E131 WeakPolarHBondContact O-CB 3.49Å; Q127-E131 WeakPolarHBondContact O-CG 3.25Å; Q127-E131 PolarHBondContact O-N 2.63Å
128R97.1Very high94.1Very high144 Ų14453.4 Ų53.454%0.54329%0.289SS..Hα-helixtrans-60.1-44.1-176.8-166.3-171.6-50.9117.99.8111.5R124 D125 V126 A132R124-R128 WeakPolarHBondContact O-CB 3.32Å; R124-R128 PolarHBondContact O-N 2.87Å; D125-R128 PolarHBondContact O-N 2.95Å; D125-R128 IonicContact OD1-CZ 3.9Å; D125-R128 VanDerWaalsContact OD1-CZ 3.22Å; D125-R128 IonicContact OD1-NH1 3.72Å; D125-R128 PolarHBondContact OD1-NH1 3.5Å; D125-R128 IonicContact OD1-NH2 3.62Å; D125-R128 PolarHBondContact OD1-NH2 2.95Å; V126-R128 PolarHBondContact O-N 2.94Å; R128-A132 WeakPolarHBondContact O-CB 3.2Å; R128-A132 PolarHBondContact O-N 3.47Å
129L97.1Very high94.5Very high62 Ų6256.1 Ų56.133%0.32530%0.303SS..Hα-helixtrans-68.2-43177.3-69177.3000112A31 F35 D125 V126 Q127 E131 A132 N133 F135A31-L129 HydrophobicContact CB-CB 3.72Å; F35-L129 HydrophobicContact CB-CD1 3.75Å; F35-L129 HydrophobicContact CD2-CD1 4.48Å; F35-L129 HydrophobicContact CG-CD1 4.5Å; D125-L129 PolarHBondContact O-N 3.13Å; V126-L129 PolarHBondContact O-N 2.97Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.13Å; L129-E131 PolarHBondContact O-N 3.41Å; L129-A132 PolarHBondContact O-N 3.42Å; L129-N133 PolarHBondContact O-N 3.22Å; L129-F135 HydrophobicContact CB-CE1 4.31Å
130A97.6Very high95Very high0 Ų061.4 Ų61.40%032%0.323CS..Hα-helixtrans-61.4-45.7176.500000110.8L4 F7 R27 A31 V126 Q127 A132 N133L4-A130 HydrophobicContact CD1-CB 3.91Å; F7-A130 HydrophobicContact CZ-CB 4.25Å; R27-A130 HydrophobicContact CB-CB 4.26Å; R27-A130 PolarHBondContact NE-O 3.28Å; R27-A130 PolarHBondContact NH2-O 3.37Å; A31-A130 HydrophobicContact CB-CB 3.9Å; V126-A130 VanDerWaalsContact O-CB 3.27Å; V126-A130 WeakPolarHBondContact O-CB 3.37Å; V126-A130 PolarHBondContact O-N 2.95Å; Q127-A130 PolarHBondContact O-N 3.49Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.34Å; A130-N133 PolarHBondContact O-N 3.35Å
131E97.5Very high95.7Very high31 Ų3161.8 Ų61.815%0.14533%0.33CS..Hα-helixtrans-58.5-43.2174.9-78.6178174.200111.7M1 K3 L4 R27 Q127 L129M1-E131 HydrophobicContact CG-CB 4.17Å; M1-E131 WeakPolarHBondContact CG-O 3.42Å; M1-E131 VanDerWaalsContact SD-C 3.57Å; M1-E131 HydrophobicContact SD-CB 3.94Å; K3-E131 WeakPolarHBondContact CA-OE1 3.45Å; L4-E131 HydrophobicContact CB-CG 3.94Å; L4-E131 HydrophobicContact CD1-CG 3.98Å; L4-E131 HydrophobicContact CG-CG 3.7Å; L4-E131 PolarHBondContact N-OE1 3.24Å; R27-E131 PolarHBondContact NH2-O 2.94Å; Q127-E131 HydrophobicContact CG-CG 4.2Å; Q127-E131 PolarHBondContact NE2-OE1 3.26Å; Q127-E131 WeakPolarHBondContact O-CB 3.49Å; Q127-E131 WeakPolarHBondContact O-CG 3.25Å; Q127-E131 PolarHBondContact O-N 2.63Å; L129-E131 PolarHBondContact O-N 3.41Å
132A97.1Very high96.1Very high38 Ų3866.6 Ų66.631%0.31435%0.346SS..Hα-helixtrans-63.6-42178.900000112.9M1 R128 L129 A130 D134M1-A132 HydrophobicContact CE-CB 3.5Å; M1-A132 WeakPolarHBondContact SD-CA 3.44Å; M1-A132 HydrophobicContact SD-CB 3.99Å; M1-A132 PolarHBondContact SD-N 2.8Å; M1-A132 VanDerWaalsContact SD-N 3.45Å; R128-A132 WeakPolarHBondContact O-CB 3.2Å; R128-A132 PolarHBondContact O-N 3.47Å; L129-A132 PolarHBondContact O-N 3.42Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 3.34Å; A132-D134 PolarHBondContact O-N 2.84Å; A132-D134 VanDerWaalsContact O-N 3.11Å
133N95.6Very high96.3Very high68 Ų6870.8 Ų70.836%0.36436%0.362SS..  trans51.330.5-177.9-161.132.2000113.2L129 A130 F135L129-N133 PolarHBondContact O-N 3.22Å; A130-N133 PolarHBondContact O-N 3.35Å; N133-F135 VanDerWaalsContact OD1-CE2 3.26Å; N133-F135 WeakPolarHBondContact OD1-CE2 3.46Å
134D95.5Very high96.5Very high147 Ų14771 Ų7179%0.78637%0.365SS*.  trans-109.274.5178.7-174.621.6000108A132A132-D134 PolarHBondContact O-N 2.84Å; A132-D134 VanDerWaalsContact O-N 3.11Å
135F96.1Very high96.7Very high32 Ų3275.8 Ų75.814%0.1438%0.382CS..PPolyproline II helixtrans-97.1151.2-176.7-58.5-67.2000110.9W26 R30 A31 E34 L129 N133W26-F135 HydrophobicContact CH2-CD2 4.14Å; W26-F135 HydrophobicContact CH2-CE2 4.5Å; W26-F135 HydrophobicContact CZ3-CD2 4.29Å; W26-F135 HydrophobicContact CZ3-CE2 4.26Å; R30-F135 HydrophobicContact CB-CD2 4.28Å; R30-F135 HydrophobicContact CB-CE1 4.27Å; R30-F135 HydrophobicContact CB-CE2 3.91Å; R30-F135 HydrophobicContact CB-CZ 3.9Å; R30-F135 HydrophobicContact CG-CB 4.08Å; R30-F135 HydrophobicContact CG-CD1 3.57Å; R30-F135 HydrophobicContact CG-CD2 3.38Å; R30-F135 HydrophobicContact CG-CE1 3.7Å; R30-F135 HydrophobicContact CG-CE2 3.5Å; R30-F135 HydrophobicContact CG-CG 3.39Å; R30-F135 HydrophobicContact CG-CZ 3.66Å; A31-F135 HydrophobicContact CB-CE1 4.13Å; A31-F135 HydrophobicContact CB-CZ 4.05Å; E34-F135 HydrophobicContact CG-CD1 4.16Å; L129-F135 HydrophobicContact CB-CE1 4.31Å; N133-F135 VanDerWaalsContact OD1-CE2 3.26Å; N133-F135 WeakPolarHBondContact OD1-CE2 3.46Å
136P93.2Very high96.8Very high75 Ų7577.1 Ų77.149%0.48739%0.385SS..PPolyproline II helixtrans-54.4151.6168.1-22.432.8000111.1R30R30-P136 PolarHBondContact NH2-O 3.36Å
137P96Very high96.8Very high123 Ų12382.5 Ų82.580%0.79941%0.41SS*.PPolyproline II helixtrans-54.4145.4169.6-2433.8000111.4D139P137-D139 PolarHBondContact O-N 2.77Å
138V97Very high96.9Very high52 Ų5288 Ų8832%0.31544%0.435SS..PPolyproline II helixtrans-67.2124.4178.3-177.20000109.5D64 E140D64-V138 HydrophobicContact CB-CG1 4.21Å; D64-V138 HydrophobicContact CB-CG2 3.84Å; V138-E140 PolarHBondContact O-N 2.95Å
139D95.6Very high97Very high62 Ų6282.9 Ų82.933%0.33242%0.419SS..  trans-88.497.3170.2-176.7-12.3000108.8P137 T141 K142 R143P137-D139 PolarHBondContact O-N 2.77Å; D139-T141 PolarHBondContact O-N 2.94Å; D139-T141 WeakPolarHBondContact OD1-CB 3.34Å; D139-T141 PolarHBondContact OD1-N 2.76Å; D139-T141 PolarHBondContact OD1-OG1 3.09Å; D139-K142 HydrophobicContact CB-CB 4.29Å; D139-K142 CarbonylContact O-C 3.57Å; D139-K142 PolarHBondContact O-N 3.06Å; D139-K142 WeakPolarHBondContact OD2-CD 3.39Å; D139-K142 WeakPolarHBondContact OD2-CE 3.35Å; D139-K142 WeakPolarHBondContact OD2-CG 2.96Å; D139-K142 IonicContact OD2-NZ 2.83Å; D139-K142 PolarHBondContact OD2-NZ 3.38Å; D139-R143 PolarHBondContact O-N 2.92Å; D139-R143 VanDerWaalsContact O-N 3.07Å
140E96.5Very high97Very high129 Ų12985.7 Ų85.760%0.60343%0.434SS*.THydrogen-bonded Turntrans-55.8-24.5-178.7-66.1-64160.700113.2V138 K142 R143V138-E140 PolarHBondContact O-N 2.95Å; E140-K142 VanDerWaalsContact C-N 3.32Å; E140-R143 WeakPolarHBondContact OE2-CD 3.44Å; E140-R143 IonicContact OE2-NH1 2.72Å
141T96.7Very high97Very high128 Ų12887.2 Ų87.279%0.78544%0.442SS*.THydrogen-bonded Turntrans-77.8-19.5178.271.70000113.4D139D139-T141 PolarHBondContact O-N 2.94Å; D139-T141 WeakPolarHBondContact OD1-CB 3.34Å; D139-T141 PolarHBondContact OD1-N 2.76Å; D139-T141 PolarHBondContact OD1-OG1 3.09Å
142K95.7Very high97Very high149 Ų14989.2 Ų89.265%0.64845%0.448SS*.THydrogen-bonded Turntrans-110.31.4178.5-63.3-175.4-169.8119.80112.9G66 D139 E140 G144G66-K142 VanDerWaalsContact CA-O 3.25Å; G66-K142 WeakPolarHBondContact CA-O 3.48Å; D139-K142 HydrophobicContact CB-CB 4.29Å; D139-K142 CarbonylContact O-C 3.57Å; D139-K142 PolarHBondContact O-N 3.06Å; D139-K142 WeakPolarHBondContact OD2-CD 3.39Å; D139-K142 WeakPolarHBondContact OD2-CE 3.35Å; D139-K142 WeakPolarHBondContact OD2-CG 2.96Å; D139-K142 IonicContact OD2-NZ 2.83Å; D139-K142 PolarHBondContact OD2-NZ 3.38Å; E140-K142 VanDerWaalsContact C-N 3.32Å; K142-G144 PolarHBondContact O-N 3.47Å
143R97.8Very high97.1Very high90 Ų9093 Ų9334%0.3446%0.464SS..PPolyproline II helixtrans-57.6130-179.2-165.9172.6-177.2-150.9-8.8110.3Q63 D64 D139 E140Q63-R143 HydrophobicContact CB-CG 4.26Å; Q63-R143 WeakPolarHBondContact O-CA 3.33Å; Q63-R143 WeakPolarHBondContact O-CG 3.5Å; D64-R143 IonicContact OD1-CZ 3.8Å; D64-R143 VanDerWaalsContact OD1-CZ 3.31Å; D64-R143 IonicContact OD1-NE 2.75Å; D64-R143 PolarHBondContact OD1-NE 3.29Å; D64-R143 IonicContact OD1-NH2 3.59Å; D64-R143 PolarHBondContact OD1-NH2 3.29Å; D139-R143 PolarHBondContact O-N 2.92Å; D139-R143 VanDerWaalsContact O-N 3.07Å; E140-R143 WeakPolarHBondContact OE2-CD 3.44Å; E140-R143 IonicContact OE2-NH1 2.72Å
144G98.5Very high97.2Very high6 Ų691.1 Ų91.16%0.06246%0.457CS..PPolyproline II helixtrans-65.3154-177.800000112.4Q63 V67 K142Q63-G144 WeakPolarHBondContact CB-O 3.26Å; Q63-G144 WeakPolarHBondContact CG-O 3.22Å; Q63-G144 PolarHBondContact NE2-O 2.89Å; Q63-G144 PolarHBondContact O-N 2.87Å; V67-G144 WeakPolarHBondContact O-CA 3.49Å; K142-G144 PolarHBondContact O-N 3.47Å
145R98.3Very high97.4Very high198 Ų19884.2 Ų84.275%0.74742%0.42SS*.PPolyproline II helixtrans-85.5153.2179.6-62.2-179.6-178.3178.30.5111.4N68 V69N68-R145 CarbonylContact C-O 3.53Å; N68-R145 WeakPolarHBondContact CA-O 3.47Å; N68-R145 PolarHBondContact OD1-N 3.22Å; V69-R145 PolarHBondContact N-O 3.43Å
146Y98.7Very high97.5Very high70 Ų7082.8 Ų82.828%0.27541%0.414SS..EExtended strand (participates in β ladder)trans-112.2131.4168.8-172.7-87.4000109L56 A59 V69 D71 Q148L56-Y146 HydrophobicContact CD2-CE2 4.4Å; L56-Y146 WeakPolarHBondContact CD2-OH 3.2Å; A59-Y146 HydrophobicContact CB-CD2 3.93Å; A59-Y146 HydrophobicContact CB-CE2 3.68Å; V69-Y146 HydrophobicContact CB-CD2 4.07Å; V69-Y146 HydrophobicContact CG1-CD2 3.95Å; V69-Y146 HydrophobicContact CG1-CE2 4.05Å; D71-Y146 HydrophobicContact CB-CE1 4.06Å; D71-Y146 HydrophobicContact CB-CE2 4.02Å; D71-Y146 VanDerWaalsContact CB-OH 3.32Å; D71-Y146 WeakPolarHBondContact CB-OH 3.39Å; D71-Y146 PolarHBondContact OD2-OH 3.45Å; Y146-Q148 HydrophobicContact CE1-CG 3.76Å
147Q98.7Very high97.8Very high114 Ų11483.1 Ų83.153%0.53341%0.412SS..EExtended strand (participates in β ladder)trans-142.2131.8175.9-179.2179.1-0.700109.8V69 L70 D71 I149V69-Q147 PolarHBondContact O-N 2.91Å; L70-Q147 CarbonylContact C-O 3.57Å; L70-Q147 WeakPolarHBondContact CA-O 3.39Å; L70-Q147 HydrophobicContact CD2-CB 4.14Å; D71-Q147 PolarHBondContact N-O 2.85Å; Q147-I149 HydrophobicContact CG-CG2 4.01Å
148Q98.6Very high97.9Very high129 Ų12979.7 Ų79.760%0.60339%0.385SS*.EExtended strand (participates in β ladder)trans-83.6136.4167.9-63.4-169.1-51.900110.4D71 Y146D71-Q148 HydrophobicContact CB-CG 4.21Å; D71-Q148 CarbonylContact O-C 3.56Å; D71-Q148 VanDerWaalsContact O-CA 3.29Å; D71-Q148 WeakPolarHBondContact O-CA 3.49Å; D71-Q148 PolarHBondContact OD2-NE2 3.4Å; Y146-Q148 HydrophobicContact CE1-CG 3.76Å
149I98.6Very high98Very high38 Ų3877.2 Ų77.220%0.19537%0.37CS..  trans-136.2164.7176.962165.2000109.7L70 D71 I72 L87 Q147 L151L70-I149 HydrophobicContact CB-CD1 3.85Å; L70-I149 HydrophobicContact CB-CG1 4.24Å; L70-I149 HydrophobicContact CD1-CD1 4.16Å; L70-I149 HydrophobicContact CD2-CG2 4.47Å; L70-I149 HydrophobicContact CG-CD1 4.47Å; D71-I149 PolarHBondContact O-N 2.51Å; I72-I149 HydrophobicContact CG2-CD1 4.13Å; I72-I149 HydrophobicContact CG2-CG1 3.89Å; L87-I149 HydrophobicContact CD1-CD1 3.76Å; Q147-I149 HydrophobicContact CG-CG2 4.01Å; I149-L151 HydrophobicContact CD1-CD1 4.08Å; I149-L151 HydrophobicContact CD1-CG 4.2Å
150N97.9Very high98.1Very high121 Ų12175.2 Ų75.265%0.64736%0.358SS*.  trans-133.5128.4174.5-176.6-14.5000108.9R152N150-R152 VanDerWaalsContact OD1-CB 3.32Å; N150-R152 WeakPolarHBondContact OD1-CB 3.49Å; N150-R152 PolarHBondContact OD1-N 3.28Å
151L98Very high98.1Very high32 Ų3272.2 Ų72.217%0.16836%0.362CS..  trans-121.711.3-178.5-62175.3000113I72 A83 L87 I149 D153 A154 Y155I72-L151 HydrophobicContact CG2-CD1 4.44Å; A83-L151 HydrophobicContact CB-CD1 3.59Å; L87-L151 HydrophobicContact CD1-CD1 3.88Å; L87-L151 HydrophobicContact CD2-CD1 4.27Å; L87-L151 HydrophobicContact CD2-CD2 4.22Å; L87-L151 HydrophobicContact CG-CD1 3.98Å; I149-L151 HydrophobicContact CD1-CD1 4.08Å; I149-L151 HydrophobicContact CD1-CG 4.2Å; L151-D153 VanDerWaalsContact C-N 3.29Å; L151-D153 PolarHBondContact O-N 3.17Å; L151-A154 PolarHBondContact O-N 2.78Å; L151-Y155 WeakPolarHBondContact O-CB 3.37Å; L151-Y155 PolarHBondContact O-N 2.83Å
152R97.9Very high98.1Very high72 Ų7267.6 Ų67.627%0.27233%0.33SS..Hα-helixtrans-54.4-43.5-174.5-171.7100.36475.29.3112.2N150 Y155 V156 P184 A188N150-R152 VanDerWaalsContact OD1-CB 3.32Å; N150-R152 WeakPolarHBondContact OD1-CB 3.49Å; N150-R152 PolarHBondContact OD1-N 3.28Å; R152-Y155 PolarHBondContact O-N 3.31Å; R152-V156 HydrophobicContact CG-CG2 4.47Å; R152-V156 WeakPolarHBondContact O-CB 3.24Å; R152-V156 VanDerWaalsContact O-CG2 3.3Å; R152-V156 WeakPolarHBondContact O-CG2 3.41Å; R152-V156 PolarHBondContact O-N 3.07Å; R152-P184 VanDerWaalsContact NH1-C 3.34Å; R152-P184 PolarHBondContact NH1-O 2.9Å; R152-A188 HydrophobicContact CG-CB 4.04Å
153D98.1Very high98.2Very high119 Ų11961.3 Ų61.364%0.63630%0.304SS*.Hα-helixtrans-65.3-45.9-179-70-21.2000111.9L151 Y155 V156 D157L151-D153 VanDerWaalsContact C-N 3.29Å; L151-D153 PolarHBondContact O-N 3.17Å; D153-Y155 VanDerWaalsContact C-N 3.31Å; D153-Y155 PolarHBondContact O-N 2.86Å; D153-V156 PolarHBondContact O-N 3.3Å; D153-D157 WeakPolarHBondContact O-CB 3.31Å; D153-D157 VanDerWaalsContact O-CG 3.31Å; D153-D157 PolarHBondContact O-N 3.23Å
154A98.6Very high98.2Very high28 Ų2860.6 Ų60.623%0.23131%0.306CS..Hα-helixtrans-65-36.2177.200000112.1F82 L151 H158F82-A154 HydrophobicContact CE1-CB 4.24Å; F82-A154 HydrophobicContact CZ-CB 4.22Å; F82-A154 WeakPolarHBondContact CZ-O 3.46Å; L151-A154 PolarHBondContact O-N 2.78Å; A154-H158 PolarHBondContact O-N 3.43Å
155Y98.8Very high98.1Very high2 Ų261.5 Ų61.51%0.00831%0.311CS..Hα-helixtrans-64.9-49174169-124.4000111.4E78 E79 F82 L151 R152 D153 D157 H158 L159 V185 F338 M345E78-Y155 WeakPolarHBondContact CG-OH 3.19Å; E78-Y155 PolarHBondContact OE1-OH 2.69Å; E79-Y155 HydrophobicContact CG-CD1 3.89Å; E79-Y155 HydrophobicContact CG-CE1 3.69Å; E79-Y155 HydrophobicContact CG-CG 4.43Å; F82-Y155 HydrophobicContact CB-CD2 3.95Å; F82-Y155 HydrophobicContact CB-CE2 4.48Å; F82-Y155 AromaticContact CD1-CD2 3.97Å; F82-Y155 HydrophobicContact CD1-CD2 3.97Å; F82-Y155 HydrophobicContact CD1-CG 4.17Å; F82-Y155 HydrophobicContact CD2-CD2 4.11Å; F82-Y155 AromaticContact CG-CD2 3.71Å; F82-Y155 HydrophobicContact CG-CD2 3.71Å; F82-Y155 HydrophobicContact CG-CG 4.37Å; L151-Y155 WeakPolarHBondContact O-CB 3.37Å; L151-Y155 PolarHBondContact O-N 2.83Å; R152-Y155 PolarHBondContact O-N 3.31Å; D153-Y155 VanDerWaalsContact C-N 3.31Å; D153-Y155 PolarHBondContact O-N 2.86Å; Y155-D157 VanDerWaalsContact C-N 3.32Å; Y155-D157 PolarHBondContact O-N 2.68Å; Y155-H158 WeakPolarHBondContact O-CB 3.1Å; Y155-H158 PolarHBondContact O-N 3.2Å; Y155-H158 VanDerWaalsContact O-N 3.09Å; Y155-L159 HydrophobicContact CD1-CD1 4.42Å; Y155-L159 HydrophobicContact CD2-CG 4.24Å; Y155-L159 HydrophobicContact CE1-CD1 3.87Å; Y155-L159 HydrophobicContact CE2-CD1 4Å; Y155-L159 HydrophobicContact CE2-CD2 3.74Å; Y155-L159 HydrophobicContact CE2-CG 3.8Å; Y155-L159 WeakPolarHBondContact O-CG 3.38Å; Y155-L159 PolarHBondContact O-N 3.47Å; Y155-V185 HydrophobicContact CE1-CG1 3.67Å; Y155-V185 HydrophobicContact CE1-CG2 3.98Å; Y155-F338 HydrophobicContact CD2-CE2 4.48Å; Y155-F338 HydrophobicContact CE2-CE2 4.17Å; Y155-F338 HydrophobicContact CE2-CZ 4.04Å; Y155-M345 WeakPolarHBondContact OH-CG 3.31Å
156V98.7Very high98.1Very high2 Ų261.1 Ų61.11%0.01231%0.314CS..Hα-helixtrans-62.2-39.1175.9171.60000111.2R152 D153 H158 L159 F160 A188 I189 R192R152-V156 HydrophobicContact CG-CG2 4.47Å; R152-V156 WeakPolarHBondContact O-CB 3.24Å; R152-V156 VanDerWaalsContact O-CG2 3.3Å; R152-V156 WeakPolarHBondContact O-CG2 3.41Å; R152-V156 PolarHBondContact O-N 3.07Å; D153-V156 PolarHBondContact O-N 3.3Å; V156-H158 VanDerWaalsContact C-N 3.28Å; V156-H158 PolarHBondContact O-N 3.25Å; V156-L159 PolarHBondContact O-N 3.02Å; V156-F160 HydrophobicContact CG1-CD2 3.8Å; V156-F160 HydrophobicContact CG1-CE2 3.85Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 3.26Å; V156-F160 PolarHBondContact O-N 2.78Å; V156-A188 HydrophobicContact CG2-CB 3.87Å; V156-I189 HydrophobicContact CG2-CG1 4.41Å; V156-R192 HydrophobicContact CG1-CB 3.97Å; V156-R192 HydrophobicContact CG1-CG 4.13Å
157D98.4Very high98Very high82 Ų8260.2 Ų60.244%0.43932%0.315SS..Hα-helixtrans-56.5-44.2172.3-77.2-27000111.6D153 Y155 F160 G161 R192D153-D157 WeakPolarHBondContact O-CB 3.31Å; D153-D157 VanDerWaalsContact O-CG 3.31Å; D153-D157 PolarHBondContact O-N 3.23Å; Y155-D157 VanDerWaalsContact C-N 3.32Å; Y155-D157 PolarHBondContact O-N 2.68Å; D157-F160 PolarHBondContact O-N 2.81Å; D157-G161 PolarHBondContact O-N 3.1Å; D157-R192 IonicContact OD1-CZ 3.81Å; D157-R192 IonicContact OD1-NH1 3.5Å; D157-R192 PolarHBondContact OD1-NH1 3.34Å; D157-R192 IonicContact OD1-NH2 2.8Å; D157-R192 PolarHBondContact OD1-NH2 3.48Å
158H98.6Very high98Very high51 Ų5155.4 Ų55.424%0.23629%0.292CS..Hα-helixtrans-65.3-43.7177.9-171.489000112.1F82 A154 Y155 V156 F160 G161 Y162 D337 F338F82-H158 HydrophobicContact CD2-CB 4.19Å; F82-H158 HydrophobicContact CE2-CB 3.46Å; F82-H158 VanDerWaalsContact CE2-CB 3.46Å; F82-H158 AromaticContact CE2-CG 3.65Å; F82-H158 HydrophobicContact CZ-CB 4.12Å; A154-H158 PolarHBondContact O-N 3.43Å; Y155-H158 WeakPolarHBondContact O-CB 3.1Å; Y155-H158 PolarHBondContact O-N 3.2Å; Y155-H158 VanDerWaalsContact O-N 3.09Å; V156-H158 VanDerWaalsContact C-N 3.28Å; V156-H158 PolarHBondContact O-N 3.25Å; H158-F160 VanDerWaalsContact C-N 3.32Å; H158-F160 PolarHBondContact O-N 3.01Å; H158-G161 PolarHBondContact O-N 2.88Å; H158-Y162 AromaticContact CD2-CE2 3.75Å; H158-Y162 AromaticContact NE2-CE2 3.61Å; H158-Y162 PolarHBondContact NE2-OH 3.3Å; H158-Y162 WeakPolarHBondContact O-CD2 3.32Å; H158-D337 PolarHBondContact CE1-O 3Å; H158-D337 PolarHBondContact NE2-O 2.71Å; H158-F338 AromaticContact CD2-CD2 3.53Å; H158-F338 AromaticContact CD2-CE2 3.86Å; H158-F338 AromaticContact NE2-CD2 3.47Å; H158-F338 WeakPolarHBondContact NE2-CD2 3.31Å
159L98.7Very high98Very high0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-58.1-43.7175.8-67.1180000112Y155 V156 G161 Y162 V185 I189 M345 I346 L349Y155-L159 HydrophobicContact CD1-CD1 4.42Å; Y155-L159 HydrophobicContact CD2-CG 4.24Å; Y155-L159 HydrophobicContact CE1-CD1 3.87Å; Y155-L159 HydrophobicContact CE2-CD1 4Å; Y155-L159 HydrophobicContact CE2-CD2 3.74Å; Y155-L159 HydrophobicContact CE2-CG 3.8Å; Y155-L159 WeakPolarHBondContact O-CG 3.38Å; Y155-L159 PolarHBondContact O-N 3.47Å; V156-L159 PolarHBondContact O-N 3.02Å; L159-G161 PolarHBondContact O-N 3.33Å; L159-Y162 WeakPolarHBondContact O-CD2 3.41Å; L159-Y162 PolarHBondContact O-N 3.49Å; L159-V185 HydrophobicContact CD1-CG1 4.43Å; L159-I189 HydrophobicContact CD1-CD1 3.9Å; L159-I189 HydrophobicContact CD1-CG1 4.43Å; L159-M345 HydrophobicContact CD1-CB 3.77Å; L159-M345 HydrophobicContact CD1-CG 4.25Å; L159-M345 HydrophobicContact CD2-CB 3.87Å; L159-M345 HydrophobicContact CG-CB 4.48Å; L159-I346 HydrophobicContact CD2-CD1 4.33Å; L159-I346 HydrophobicContact CD2-CG1 3.62Å; L159-L349 HydrophobicContact CB-CD1 4.05Å
160F98.3Very high98Very high20 Ų2055.9 Ų55.99%0.08831%0.308CS..Hα-helixtrans-70-12.4178.6-86.8-105.2000113.3V156 D157 H158 Y162 I163 V165 I189 R192 F193 L196V156-F160 HydrophobicContact CG1-CD2 3.8Å; V156-F160 HydrophobicContact CG1-CE2 3.85Å; V156-F160 VanDerWaalsContact O-CD2 3.3Å; V156-F160 WeakPolarHBondContact O-CD2 3.26Å; V156-F160 PolarHBondContact O-N 2.78Å; D157-F160 PolarHBondContact O-N 2.81Å; H158-F160 VanDerWaalsContact C-N 3.32Å; H158-F160 PolarHBondContact O-N 3.01Å; F160-Y162 PolarHBondContact O-N 2.89Å; F160-I163 HydrophobicContact CD1-CD1 4.49Å; F160-V165 HydrophobicContact CD1-CG2 3.71Å; F160-V165 HydrophobicContact CE1-CG2 3.88Å; F160-I189 HydrophobicContact CE2-CB 4.34Å; F160-I189 HydrophobicContact CE2-CG1 4.22Å; F160-I189 HydrophobicContact CE2-CG2 3.92Å; F160-I189 HydrophobicContact CZ-CG2 4.02Å; F160-R192 HydrophobicContact CD1-CG 3.8Å; F160-R192 HydrophobicContact CD2-CB 4.43Å; F160-R192 HydrophobicContact CD2-CG 3.76Å; F160-R192 HydrophobicContact CE1-CB 4.25Å; F160-R192 HydrophobicContact CE1-CG 3.52Å; F160-R192 HydrophobicContact CE2-CB 3.72Å; F160-R192 HydrophobicContact CE2-CG 3.47Å; F160-R192 VanDerWaalsContact CE2-CG 3.47Å; F160-R192 HydrophobicContact CG-CG 3.91Å; F160-R192 HydrophobicContact CZ-CB 3.61Å; F160-R192 HydrophobicContact CZ-CG 3.34Å; F160-F193 AromaticContact CE1-CD1 3.59Å; F160-F193 HydrophobicContact CE1-CD1 3.59Å; F160-F193 AromaticContact CE1-CE1 3.56Å; F160-F193 HydrophobicContact CE1-CE1 3.56Å; F160-F193 HydrophobicContact CE1-CG 4.41Å; F160-F193 HydrophobicContact CE1-CZ 4.39Å; F160-F193 AromaticContact CZ-CD1 3.68Å; F160-F193 HydrophobicContact CZ-CD1 3.68Å; F160-F193 HydrophobicContact CZ-CD2 4.48Å; F160-F193 AromaticContact CZ-CE1 3.64Å; F160-F193 HydrophobicContact CZ-CE1 3.64Å; F160-F193 HydrophobicContact CZ-CE2 4.48Å; F160-F193 HydrophobicContact CZ-CG 4.1Å; F160-F193 HydrophobicContact CZ-CZ 4.06Å; F160-L196 HydrophobicContact CD1-CD1 3.83Å; F160-L196 HydrophobicContact CE1-CD1 3.96Å
161G97.3Very high98Very high66 Ų6650.6 Ų50.668%0.6828%0.28SS*.THydrogen-bonded Turntrans-67.3-17.5170.400000114.2D157 H158 L159D157-G161 PolarHBondContact O-N 3.1Å; H158-G161 PolarHBondContact O-N 2.88Å; L159-G161 PolarHBondContact O-N 3.33Å
162Y96.9Very high98Very high31 Ų3151.8 Ų51.812%0.12228%0.283CS..THydrogen-bonded Turntrans-83.6-18.9-178.7-74.1-93.7000114.1H158 L159 F160 F335 D337 F338 I346 L350H158-Y162 AromaticContact CD2-CE2 3.75Å; H158-Y162 AromaticContact NE2-CE2 3.61Å; H158-Y162 PolarHBondContact NE2-OH 3.3Å; H158-Y162 WeakPolarHBondContact O-CD2 3.32Å; L159-Y162 WeakPolarHBondContact O-CD2 3.41Å; L159-Y162 PolarHBondContact O-N 3.49Å; F160-Y162 PolarHBondContact O-N 2.89Å; Y162-F335 HydrophobicContact CE1-CB 4.24Å; Y162-F335 HydrophobicContact CE1-CD1 4.37Å; Y162-F335 HydrophobicContact CE1-CG 4.41Å; Y162-D337 PolarHBondContact OH-O 2.88Å; Y162-F338 WeakPolarHBondContact OH-CB 3.22Å; Y162-F338 PolarHBondContact OH-N 2.89Å; Y162-I346 HydrophobicContact CD1-CD1 4.43Å; Y162-I346 HydrophobicContact CD1-CG2 3.67Å; Y162-I346 HydrophobicContact CD2-CD1 4Å; Y162-I346 HydrophobicContact CD2-CG1 4Å; Y162-I346 HydrophobicContact CD2-CG2 4.39Å; Y162-I346 HydrophobicContact CE1-CD1 4.02Å; Y162-I346 HydrophobicContact CE1-CG2 4.12Å; Y162-I346 HydrophobicContact CE2-CD1 3.55Å; Y162-I346 HydrophobicContact CE2-CG1 4.08Å; Y162-I346 HydrophobicContact CG-CD1 4.42Å; Y162-I346 HydrophobicContact CG-CG1 4.3Å; Y162-I346 HydrophobicContact CG-CG2 3.84Å; Y162-L350 WeakPolarHBondContact O-CD2 3.32Å
163I97.2Very high98.1Very high16 Ų1648.4 Ų48.48%0.08227%0.271CS..SBendtrans-125.1153.3-176.660.4165000111F160 V165 L168 F193 L349 L350 E353F160-I163 HydrophobicContact CD1-CD1 4.49Å; I163-V165 HydrophobicContact CD1-CG2 4.25Å; I163-L168 HydrophobicContact CD1-CD1 4.29Å; I163-F193 HydrophobicContact CD1-CE1 4.17Å; I163-L349 HydrophobicContact CD1-CB 4.49Å; I163-L349 HydrophobicContact CD1-CD2 4.06Å; I163-L349 HydrophobicContact CG2-CB 3.97Å; I163-L349 WeakPolarHBondContact CG2-O 3.46Å; I163-L350 HydrophobicContact CG2-CD2 4.32Å; I163-E353 HydrophobicContact CB-CB 4.45Å; I163-E353 HydrophobicContact CG2-CB 4.07Å
164N97.1Very high98.1Very high75 Ų7542.7 Ų42.740%0.40124%0.24SC..  trans-99.7106.8164.2178.53.4000109.1K166 N167 E353N164-K166 PolarHBondContact O-N 3.47Å; N164-K166 WeakPolarHBondContact OD1-CB 3.4Å; N164-K166 PolarHBondContact OD1-N 2.75Å; N164-K166 VanDerWaalsContact OD1-N 3.14Å; N164-N167 VanDerWaalsContact O-CB 3.28Å; N164-N167 WeakPolarHBondContact O-CB 3.38Å; N164-N167 PolarHBondContact O-N 2.96Å; N164-E353 WeakPolarHBondContact CB-OE1 3.37Å; N164-E353 PolarHBondContact N-OE1 3.18Å
165V97.4Very high98.1Very high25 Ų2541.4 Ų41.415%0.15223%0.229CC..G310 helixtrans-54.3-26-178.6175.20000113.4F160 I163 N167 L168 L196 A198F160-V165 HydrophobicContact CD1-CG2 3.71Å; F160-V165 HydrophobicContact CE1-CG2 3.88Å; I163-V165 HydrophobicContact CD1-CG2 4.25Å; V165-N167 PolarHBondContact O-N 2.62Å; V165-L168 HydrophobicContact CG1-CD1 4.4Å; V165-L168 WeakPolarHBondContact O-CB 3.39Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.16Å; V165-L196 HydrophobicContact CG1-CB 4.12Å; V165-L196 HydrophobicContact CG2-CD1 3.84Å; V165-A198 HydrophobicContact CG1-CB 3.49Å; V165-A198 VanDerWaalsContact CG1-CB 3.49Å
166K97.3Very high98.1Very high190 Ų19041.8 Ų41.883%0.82623%0.232SC*.G310 helixtrans-68.4-19176.5-61.1178.7179.3176.10113.8N164 L168N164-K166 PolarHBondContact O-N 3.47Å; N164-K166 WeakPolarHBondContact OD1-CB 3.4Å; N164-K166 PolarHBondContact OD1-N 2.75Å; N164-K166 VanDerWaalsContact OD1-N 3.14Å; K166-L168 VanDerWaalsContact C-N 3.28Å
167N97.8Very high98.1Very high52 Ų5241.7 Ų41.728%0.27823%0.231SC..G310 helixtrans-79.4-14.4175.9-66.9-17.3000112.1N164 V165 T169 E353 C356 L357N164-N167 VanDerWaalsContact O-CB 3.28Å; N164-N167 WeakPolarHBondContact O-CB 3.38Å; N164-N167 PolarHBondContact O-N 2.96Å; V165-N167 PolarHBondContact O-N 2.62Å; N167-T169 PolarHBondContact O-N 2.73Å; N167-E353 HydrophobicContact CB-CG 3.97Å; N167-E353 PolarHBondContact ND2-OE1 2.95Å; N167-C356 WeakPolarHBondContact O-CB 3.45Å; N167-L357 HydrophobicContact CB-CD2 3.89Å; N167-L357 HydrophobicContact CB-CG 4.12Å
168L98.5Very high98.1Very high12 Ų1238.2 Ų38.26%0.06322%0.215CC..  trans-76.1120.4-178.2-55.5179.4000110.2I163 V165 K166 L171 F193 A198 P199 V200 E353I163-L168 HydrophobicContact CD1-CD1 4.29Å; V165-L168 HydrophobicContact CG1-CD1 4.4Å; V165-L168 WeakPolarHBondContact O-CB 3.39Å; V165-L168 PolarHBondContact O-N 3.26Å; V165-L168 VanDerWaalsContact O-N 3.16Å; K166-L168 VanDerWaalsContact C-N 3.28Å; L168-L171 HydrophobicContact CD2-CD1 4.46Å; L168-F193 HydrophobicContact CD1-CD1 4.27Å; L168-F193 HydrophobicContact CD1-CE1 3.67Å; L168-F193 HydrophobicContact CD1-CZ 4.41Å; L168-A198 HydrophobicContact CD1-CB 4.41Å; L168-P199 WeakPolarHBondContact O-CG 3.32Å; L168-V200 HydrophobicContact CB-CG2 4.45Å; L168-V200 HydrophobicContact CD1-CG2 3.87Å; L168-E353 HydrophobicContact CD2-CB 4.2Å
169T97.9Very high98.1Very high71 Ų7136.3 Ų36.344%0.43621%0.206SC..  trans-87.8169.3166.359.60000109.5N167 L171 C356N167-T169 PolarHBondContact O-N 2.73Å; T169-L171 WeakPolarHBondContact O-CG 3.19Å; T169-L171 PolarHBondContact O-N 2.93Å; T169-C356 HydrophobicContact CG2-CB 4.37Å; T169-C356 PolarHBondContact N-SG 2.91Å; T169-C356 PolarHBondContact OG1-SG 3.4Å
170P98.5Very high98Very high107 Ų10736.3 Ų36.370%0.69521%0.206SC*.SBendtrans-45116.5172.4-31.537.8000111.9P199P170-P199 VanDerWaalsContact CA-O 3.23Å; P170-P199 WeakPolarHBondContact CA-O 3.31Å; P170-P199 HydrophobicContact CG-CB 4.15Å; P170-P199 HydrophobicContact CG-CG 4.49Å
171L98.2Very high98Very high10 Ų1035.5 Ų35.55%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-131137.7-179.5-79.9177.9000109.6L168 T169 L173 P199 V200 E201 D239 A352 V355 C356L168-L171 HydrophobicContact CD2-CD1 4.46Å; T169-L171 WeakPolarHBondContact O-CG 3.19Å; T169-L171 PolarHBondContact O-N 2.93Å; L171-L173 HydrophobicContact CB-CD2 4.47Å; L171-P199 PolarHBondContact N-O 3.48Å; L171-V200 HydrophobicContact CB-CG2 4.48Å; L171-V200 CarbonylContact O-C 3.53Å; L171-V200 WeakPolarHBondContact O-CA 3.22Å; L171-E201 PolarHBondContact O-N 3.04Å; L171-D239 WeakPolarHBondContact CA-OD2 3.39Å; L171-D239 HydrophobicContact CD2-CB 4Å; L171-A352 HydrophobicContact CD1-CB 3.94Å; L171-V355 HydrophobicContact CD2-CG1 4.15Å; L171-C356 WeakPolarHBondContact CD1-SG 3.4Å; L171-C356 VanDerWaalsContact CG-SG 3.58Å
172K98.8Very high98.1Very high56 Ų5632.3 Ų32.324%0.24317%0.171CC..EExtended strand (participates in β ladder)trans-115116.4169-174.7-174.1-67.4152.20109.2E201 I203 H236 A238 D239K172-E201 WeakPolarHBondContact CA-O 3.13Å; K172-E201 WeakPolarHBondContact CE-OE2 3.43Å; K172-E201 HydrophobicContact CG-CB 4.41Å; K172-E201 HydrophobicContact CG-CG 4.45Å; K172-I203 HydrophobicContact CD-CG1 4.17Å; K172-I203 HydrophobicContact CG-CD1 4.49Å; K172-I203 HydrophobicContact CG-CG1 3.95Å; K172-H236 HydrophobicContact CD-CB 4.24Å; K172-H236 VanDerWaalsContact CD-O 3.31Å; K172-H236 WeakPolarHBondContact CD-O 3.11Å; K172-H236 PolarHBondContact NZ-O 3.37Å; K172-A238 HydrophobicContact CD-CB 4.41Å; K172-A238 HydrophobicContact CG-CB 4.28Å; K172-A238 CarbonylContact O-C 3.34Å; K172-A238 WeakPolarHBondContact O-CA 3.49Å; K172-A238 WeakPolarHBondContact O-CB 3.2Å; K172-D239 PolarHBondContact N-OD2 2.77Å; K172-D239 PolarHBondContact O-N 2.76Å
173L98.9Very high98.2Very high1 Ų130.9 Ų30.91%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-115.5129.9-176.4-54.3-179.5000110L171 V200 E201 L202 I203 M240 I242 W348 A352L171-L173 HydrophobicContact CB-CD2 4.47Å; L173-V200 HydrophobicContact CD1-CG1 4.03Å; L173-V200 HydrophobicContact CG-CG1 4.34Å; L173-E201 PolarHBondContact N-O 3Å; L173-L202 HydrophobicContact CB-CD2 3.83Å; L173-L202 HydrophobicContact CD1-CD2 4.12Å; L173-L202 HydrophobicContact CG-CD2 4.35Å; L173-L202 CarbonylContact O-C 3.57Å; L173-L202 WeakPolarHBondContact O-CA 3.17Å; L173-I203 PolarHBondContact O-N 2.99Å; L173-M240 HydrophobicContact CD2-CB 4.33Å; L173-M240 HydrophobicContact CD2-CE 3.59Å; L173-M240 HydrophobicContact CD2-CG 4.22Å; L173-I242 HydrophobicContact CB-CD1 4.03Å; L173-W348 HydrophobicContact CD1-CE3 4.11Å; L173-W348 HydrophobicContact CD1-CZ3 3.82Å; L173-A352 HydrophobicContact CD1-CB 4.31Å
174V98.9Very high98.2Very high0 Ų031.2 Ų31.20%017%0.168CC..EExtended strand (participates in β ladder)trans-83.7129.4165.71650000108.3I203 V205 T229 A232 V233 A238 M240 G241 I242V174-I203 WeakPolarHBondContact CA-O 3.1Å; V174-I203 HydrophobicContact CG2-CB 3.91Å; V174-I203 HydrophobicContact CG2-CG2 4.17Å; V174-V205 HydrophobicContact CG1-CG2 4.05Å; V174-T229 HydrophobicContact CG1-CG2 4.08Å; V174-A232 HydrophobicContact CG1-CB 3.77Å; V174-A232 HydrophobicContact CG2-CB 3.95Å; V174-V233 HydrophobicContact CB-CG2 3.86Å; V174-V233 HydrophobicContact CG1-CG2 4.32Å; V174-V233 HydrophobicContact CG2-CG2 3.99Å; V174-A238 HydrophobicContact CG2-CB 3.75Å; V174-M240 PolarHBondContact N-O 2.93Å; V174-G241 CarbonylContact O-C 3.5Å; V174-G241 WeakPolarHBondContact O-CA 3.28Å; V174-I242 WeakPolarHBondContact O-CD1 3.42Å; V174-I242 PolarHBondContact O-N 3.4Å
175I98.8Very high98.3Very high0 Ų027.7 Ų27.70%015%0.15CC..EExtended strand (participates in β ladder)trans-123.7116.8173.5-54.5-167.4000109.6V186 L202 I203 V205 I242 F244 W348I175-V186 HydrophobicContact CB-CG1 4.29Å; I175-V186 HydrophobicContact CD1-CG1 4.1Å; I175-V186 HydrophobicContact CG2-CG1 4.05Å; I175-V186 HydrophobicContact CG2-CG2 3.71Å; I175-L202 HydrophobicContact CD1-CD1 4.01Å; I175-L202 HydrophobicContact CD1-CD2 3.87Å; I175-L202 HydrophobicContact CD1-CG 4.46Å; I175-L202 HydrophobicContact CG1-CD2 4.39Å; I175-I203 PolarHBondContact N-O 3.17Å; I175-V205 PolarHBondContact O-N 3.35Å; I175-I242 CarbonylContact C-O 3.53Å; I175-I242 WeakPolarHBondContact CA-O 3.35Å; I175-I242 HydrophobicContact CG1-CB 4.43Å; I175-I242 HydrophobicContact CG1-CD1 4.23Å; I175-F244 HydrophobicContact CG2-CD2 4.34Å; I175-F244 HydrophobicContact CG2-CE2 3.65Å; I175-W348 HydrophobicContact CD1-CH2 4.15Å; I175-W348 HydrophobicContact CD1-CZ2 4.26Å; I175-W348 HydrophobicContact CD1-CZ3 4.46Å
176N98.7Very high98.4Very high10 Ų1026.5 Ų26.55%0.05314%0.142CC..EExtended strand (participates in β ladder)trans-105.4101.9176.3-172.4-5.2000110.5G178 V205 T229 I242 A243 F244N176-G178 PolarHBondContact O-N 3.42Å; N176-G178 WeakPolarHBondContact OD1-CA 3.39Å; N176-G178 PolarHBondContact OD1-N 2.97Å; N176-V205 WeakPolarHBondContact CA-O 3.26Å; N176-V205 HydrophobicContact CB-CB 4.02Å; N176-V205 HydrophobicContact CB-CG1 4.24Å; N176-V205 PolarHBondContact OD1-O 2.89Å; N176-T229 HydrophobicContact CB-CG2 4.37Å; N176-T229 VanDerWaalsContact CB-OG1 3.3Å; N176-T229 WeakPolarHBondContact CB-OG1 3.41Å; N176-T229 PolarHBondContact ND2-OG1 3Å; N176-I242 PolarHBondContact N-O 3.35Å; N176-A243 HydrophobicContact CB-CB 4.14Å; N176-A243 WeakPolarHBondContact O-CA 3.42Å; N176-F244 PolarHBondContact O-N 3.24Å; N176-F244 VanDerWaalsContact O-N 3.17Å
177S98.5Very high98.4Very high0 Ų020.6 Ų20.60%012%0.12CC..  trans-80-6.5177.5-55.20000112.6N179 G180 V205 N207S177-N179 PolarHBondContact O-N 2.8Å; S177-N179 VanDerWaalsContact O-N 3.13Å; S177-G180 WeakPolarHBondContact O-CA 3.46Å; S177-G180 PolarHBondContact O-N 3.41Å; S177-V205 PolarHBondContact N-O 2.91Å; S177-V205 VanDerWaalsContact N-O 3.17Å; S177-N207 PolarHBondContact OG-OD1 3.09Å
178G97.5Very high98.5Very high9 Ų919 Ų199%0.09311%0.113CC..THydrogen-bonded Turntrans56.831.1174.400000114.5N176 G180N176-G178 PolarHBondContact O-N 3.42Å; N176-G178 WeakPolarHBondContact OD1-CA 3.39Å; N176-G178 PolarHBondContact OD1-N 2.97Å; G178-G180 PolarHBondContact O-N 2.95Å
179N98.4Very high98.5Very high11 Ų1118.4 Ų18.46%0.05911%0.11CC..THydrogen-bonded Turntrans57.112.8-170.5-54.3110.6000114.8S177 H206 T208 P209 D210 F213 N215S177-N179 PolarHBondContact O-N 2.8Å; S177-N179 VanDerWaalsContact O-N 3.13Å; N179-H206 WeakPolarHBondContact CA-O 3.15Å; N179-H206 PolarHBondContact N-O 3.48Å; N179-T208 PolarHBondContact ND2-O 3.04Å; N179-P209 WeakPolarHBondContact O-CA 3.45Å; N179-D210 HydrophobicContact CB-CB 4.19Å; N179-D210 PolarHBondContact O-N 2.93Å; N179-F213 HydrophobicContact CB-CD1 4.24Å; N179-N215 PolarHBondContact OD1-ND2 3.27Å
180G97.9Very high98.5Very high0 Ų016.6 Ų16.60%010%0.097CC..SBendtrans-79.1-167.9174.700000113.1S177 G178 A182 G246S177-G180 WeakPolarHBondContact O-CA 3.46Å; S177-G180 PolarHBondContact O-N 3.41Å; G178-G180 PolarHBondContact O-N 2.95Å; G180-A182 VanDerWaalsContact C-N 3.28Å; G180-A182 PolarHBondContact O-N 3.33Å; G180-G246 WeakPolarHBondContact CA-O 3.31Å
181A98Very high98.5Very high3 Ų314.2 Ų14.23%0.0259%0.087CC..THydrogen-bonded Turntrans-76.9-7.8-176.400000114.2S75 G183 P184 G246 F248S75-A181 VanDerWaalsContact O-CB 3.28Å; S75-A181 WeakPolarHBondContact O-CB 3.32Å; A181-G183 VanDerWaalsContact C-N 3.31Å; A181-G183 PolarHBondContact O-N 2.8Å; A181-P184 WeakPolarHBondContact O-CD 3.27Å; A181-G246 PolarHBondContact N-O 3.4Å; A181-F248 VanDerWaalsContact C-CE1 3.4Å; A181-F248 HydrophobicContact CB-CD1 3.78Å; A181-F248 HydrophobicContact CB-CE1 3.65Å; A181-F248 VanDerWaalsContact O-CE1 3.29Å; A181-F248 WeakPolarHBondContact O-CE1 3.44Å
182A98.6Very high98.5Very high0 Ų016.8 Ų16.80%010%0.096CC..THydrogen-bonded Turntrans-65.4-31.2-176.600000113.8G180 V185 V186 F244 F248 M345G180-A182 VanDerWaalsContact C-N 3.28Å; G180-A182 PolarHBondContact O-N 3.33Å; A182-V185 WeakPolarHBondContact O-CB 3.5Å; A182-V185 PolarHBondContact O-N 2.79Å; A182-V186 HydrophobicContact CB-CG2 4.48Å; A182-V186 WeakPolarHBondContact O-CG2 3.41Å; A182-V186 PolarHBondContact O-N 2.93Å; A182-F244 HydrophobicContact CB-CB 4.21Å; A182-F244 HydrophobicContact CB-CD2 3.74Å; A182-F244 HydrophobicContact CB-CE2 4.28Å; A182-F244 HydrophobicContact CB-CG 3.99Å; A182-F248 VanDerWaalsContact CA-CD1 3.47Å; A182-F248 HydrophobicContact CB-CB 3.76Å; A182-F248 HydrophobicContact CB-CD1 4.01Å; A182-F248 HydrophobicContact CB-CG 4.03Å; A182-F248 VanDerWaalsContact N-CD1 3.26Å; A182-M345 HydrophobicContact CB-CE 3.88Å
183G98.5Very high98.5Very high0 Ų014.3 Ų14.30%09%0.085CC..Hα-helixtrans-54-49.5-167.500000116A181 V185 V186 D187 N207A181-G183 VanDerWaalsContact C-N 3.31Å; A181-G183 PolarHBondContact O-N 2.8Å; G183-V185 VanDerWaalsContact C-N 3.26Å; G183-V185 PolarHBondContact O-N 3.12Å; G183-V186 WeakPolarHBondContact O-CB 3.4Å; G183-V186 PolarHBondContact O-N 2.88Å; G183-D187 PolarHBondContact O-N 3.08Å; G183-N207 VanDerWaalsContact CA-O 3.27Å; G183-N207 WeakPolarHBondContact CA-O 3.3Å; G183-N207 VanDerWaalsContact CA-OD1 3.29Å; G183-N207 WeakPolarHBondContact CA-OD1 3.48Å; G183-N207 PolarHBondContact O-ND2 3.5Å
184P98.4Very high98.5Very high24 Ų2420.7 Ų20.716%0.15611%0.112CC..Hα-helixtrans-60.1-33.7176-26.535.1000113.7M74 R152 A181 A188 P209M74-P184 HydrophobicContact CE-CG 3.75Å; R152-P184 VanDerWaalsContact NH1-C 3.34Å; R152-P184 PolarHBondContact NH1-O 2.9Å; A181-P184 WeakPolarHBondContact O-CD 3.27Å; P184-A188 PolarHBondContact O-N 3.04Å; P184-A188 VanDerWaalsContact O-N 3.16Å; P184-P209 HydrophobicContact CG-CG 3.91Å
185V98.7Very high98.5Very high1 Ų124.6 Ų24.61%0.00615%0.145CC..Hα-helixtrans-71.5-42.6175.5177.80000110.3Y155 L159 A182 G183 D187 A188 I189 F248 M345Y155-V185 HydrophobicContact CE1-CG1 3.67Å; Y155-V185 HydrophobicContact CE1-CG2 3.98Å; L159-V185 HydrophobicContact CD1-CG1 4.43Å; A182-V185 WeakPolarHBondContact O-CB 3.5Å; A182-V185 PolarHBondContact O-N 2.79Å; G183-V185 VanDerWaalsContact C-N 3.26Å; G183-V185 PolarHBondContact O-N 3.12Å; V185-D187 VanDerWaalsContact C-N 3.32Å; V185-D187 PolarHBondContact O-N 3.06Å; V185-A188 PolarHBondContact O-N 3.49Å; V185-A188 VanDerWaalsContact O-N 3.13Å; V185-I189 HydrophobicContact CG1-CD1 3.86Å; V185-I189 HydrophobicContact CG1-CG1 4.35Å; V185-I189 WeakPolarHBondContact O-CG1 3.23Å; V185-I189 PolarHBondContact O-N 3.18Å; V185-F248 HydrophobicContact CG2-CE2 4.35Å; V185-F248 HydrophobicContact CG2-CZ 3.86Å; V185-M345 HydrophobicContact CB-CE 3.94Å; V185-M345 HydrophobicContact CG1-CE 3.79Å; V185-M345 HydrophobicContact CG1-CG 3.99Å; V185-M345 HydrophobicContact CG1-SD 3.93Å
186V98.8Very high98.4Very high0 Ų029.1 Ų29.10%017%0.168CC..Hα-helixtrans-56.9-45.6173.6172.20000110.8I175 A182 G183 A188 I189 E190 L202 K204 F244 M345I175-V186 HydrophobicContact CB-CG1 4.29Å; I175-V186 HydrophobicContact CD1-CG1 4.1Å; I175-V186 HydrophobicContact CG2-CG1 4.05Å; I175-V186 HydrophobicContact CG2-CG2 3.71Å; A182-V186 HydrophobicContact CB-CG2 4.48Å; A182-V186 WeakPolarHBondContact O-CG2 3.41Å; A182-V186 PolarHBondContact O-N 2.93Å; G183-V186 WeakPolarHBondContact O-CB 3.4Å; G183-V186 PolarHBondContact O-N 2.88Å; V186-A188 VanDerWaalsContact C-N 3.31Å; V186-A188 PolarHBondContact O-N 2.84Å; V186-I189 PolarHBondContact O-N 3.29Å; V186-E190 WeakPolarHBondContact O-CB 3.49Å; V186-E190 PolarHBondContact O-N 2.94Å; V186-L202 HydrophobicContact CG1-CD1 4.32Å; V186-K204 HydrophobicContact CG1-CD 4.14Å; V186-K204 HydrophobicContact CG1-CG 4.32Å; V186-F244 HydrophobicContact CG2-CE2 4.33Å; V186-M345 HydrophobicContact CG2-CE 4.24Å
187D98.8Very high98.4Very high65 Ų6531.7 Ų31.735%0.34820%0.197SC..Hα-helixtrans-62.4-38.2177.1-70.6-29.4000112.4G183 V185 E190 A191 K204 N207G183-D187 PolarHBondContact O-N 3.08Å; V185-D187 VanDerWaalsContact C-N 3.32Å; V185-D187 PolarHBondContact O-N 3.06Å; D187-E190 PolarHBondContact O-N 3.19Å; D187-A191 WeakPolarHBondContact O-CB 3.48Å; D187-A191 PolarHBondContact O-N 3.22Å; D187-K204 WeakPolarHBondContact OD1-CD 3.28Å; D187-K204 IonicContact OD1-NZ 3.58Å; D187-K204 PolarHBondContact OD1-NZ 3Å; D187-N207 PolarHBondContact OD1-ND2 3.27Å; D187-N207 PolarHBondContact OD2-ND2 3.05Å
188A98.7Very high98.3Very high18 Ų1832.3 Ų32.315%0.14920%0.202CC..Hα-helixtrans-69.5-39.4177.500000112.1R152 V156 P184 V185 V186 A191 R192R152-A188 HydrophobicContact CG-CB 4.04Å; V156-A188 HydrophobicContact CG2-CB 3.87Å; P184-A188 PolarHBondContact O-N 3.04Å; P184-A188 VanDerWaalsContact O-N 3.16Å; V185-A188 PolarHBondContact O-N 3.49Å; V185-A188 VanDerWaalsContact O-N 3.13Å; V186-A188 VanDerWaalsContact C-N 3.31Å; V186-A188 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 2.89Å; A188-R192 WeakPolarHBondContact O-CB 3.44Å; A188-R192 PolarHBondContact O-N 3.06Å
189I98.8Very high98.4Very high0 Ų034.6 Ų34.60%022%0.216CC..Hα-helixtrans-65-42.7173.8-68.3171.6000110.5V156 L159 F160 V185 V186 A191 R192 F193 M345 W348 L349V156-I189 HydrophobicContact CG2-CG1 4.41Å; L159-I189 HydrophobicContact CD1-CD1 3.9Å; L159-I189 HydrophobicContact CD1-CG1 4.43Å; F160-I189 HydrophobicContact CE2-CB 4.34Å; F160-I189 HydrophobicContact CE2-CG1 4.22Å; F160-I189 HydrophobicContact CE2-CG2 3.92Å; F160-I189 HydrophobicContact CZ-CG2 4.02Å; V185-I189 HydrophobicContact CG1-CD1 3.86Å; V185-I189 HydrophobicContact CG1-CG1 4.35Å; V185-I189 WeakPolarHBondContact O-CG1 3.23Å; V185-I189 PolarHBondContact O-N 3.18Å; V186-I189 PolarHBondContact O-N 3.29Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 2.93Å; I189-R192 PolarHBondContact O-N 3.03Å; I189-R192 VanDerWaalsContact O-N 3.14Å; I189-F193 HydrophobicContact CG2-CD2 3.84Å; I189-F193 HydrophobicContact CG2-CE2 3.47Å; I189-F193 VanDerWaalsContact CG2-CE2 3.47Å; I189-F193 HydrophobicContact CG2-CZ 4.07Å; I189-F193 WeakPolarHBondContact O-CD2 3.2Å; I189-F193 PolarHBondContact O-N 2.97Å; I189-M345 HydrophobicContact CD1-SD 3.87Å; I189-W348 HydrophobicContact CD1-CZ2 3.79Å; I189-W348 HydrophobicContact CG2-CH2 3.68Å; I189-W348 HydrophobicContact CG2-CZ2 3.95Å; I189-L349 HydrophobicContact CG2-CD2 4.43Å
190E98.7Very high98.4Very high34 Ų3435.1 Ų35.116%0.15922%0.219CC..Hα-helixtrans-57.2-47.1174.8-163.3-170.4173.800111.3V186 D187 R192 F193 K194 L202 K204V186-E190 WeakPolarHBondContact O-CB 3.49Å; V186-E190 PolarHBondContact O-N 2.94Å; D187-E190 PolarHBondContact O-N 3.19Å; E190-R192 VanDerWaalsContact C-N 3.31Å; E190-R192 PolarHBondContact O-N 3.28Å; E190-F193 PolarHBondContact O-N 2.92Å; E190-K194 VanDerWaalsContact CD-NZ 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.42Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 VanDerWaalsContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.69Å; E190-K194 PolarHBondContact OE1-NZ 3.28Å; E190-K194 IonicContact OE2-NZ 2.9Å; E190-L202 HydrophobicContact CB-CD1 3.75Å; E190-L202 HydrophobicContact CG-CB 4.44Å; E190-L202 HydrophobicContact CG-CD1 3.88Å; E190-L202 HydrophobicContact CG-CG 4.25Å; E190-K204 IonicContact OE2-NZ 3.99Å; E190-K204 PolarHBondContact OE2-NZ 3.39Å
191A98.6Very high98.4Very high57 Ų5739.9 Ų39.947%0.47124%0.241SC..Hα-helixtrans-61.7-40176.500000111.7D187 A188 I189 K194 A195D187-A191 WeakPolarHBondContact O-CB 3.48Å; D187-A191 PolarHBondContact O-N 3.22Å; A188-A191 PolarHBondContact O-N 2.89Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 2.93Å; A191-K194 PolarHBondContact O-N 2.76Å; A191-A195 WeakPolarHBondContact O-CB 3.47Å; A191-A195 PolarHBondContact O-N 3.12Å
192R98.4Very high98.5Very high64 Ų6440.4 Ų40.424%0.24224%0.244CC..Hα-helixtrans-66-42.2177.3-177.759.664.8120.310.2112.4V156 D157 F160 A188 I189 E190 K194 A195 L196V156-R192 HydrophobicContact CG1-CB 3.97Å; V156-R192 HydrophobicContact CG1-CG 4.13Å; D157-R192 IonicContact OD1-CZ 3.81Å; D157-R192 IonicContact OD1-NH1 3.5Å; D157-R192 PolarHBondContact OD1-NH1 3.34Å; D157-R192 IonicContact OD1-NH2 2.8Å; D157-R192 PolarHBondContact OD1-NH2 3.48Å; F160-R192 HydrophobicContact CD1-CG 3.8Å; F160-R192 HydrophobicContact CD2-CB 4.43Å; F160-R192 HydrophobicContact CD2-CG 3.76Å; F160-R192 HydrophobicContact CE1-CB 4.25Å; F160-R192 HydrophobicContact CE1-CG 3.52Å; F160-R192 HydrophobicContact CE2-CB 3.72Å; F160-R192 HydrophobicContact CE2-CG 3.47Å; F160-R192 VanDerWaalsContact CE2-CG 3.47Å; F160-R192 HydrophobicContact CG-CG 3.91Å; F160-R192 HydrophobicContact CZ-CB 3.61Å; F160-R192 HydrophobicContact CZ-CG 3.34Å; A188-R192 WeakPolarHBondContact O-CB 3.44Å; A188-R192 PolarHBondContact O-N 3.06Å; I189-R192 PolarHBondContact O-N 3.03Å; I189-R192 VanDerWaalsContact O-N 3.14Å; E190-R192 VanDerWaalsContact C-N 3.31Å; E190-R192 PolarHBondContact O-N 3.28Å; R192-K194 VanDerWaalsContact C-N 3.34Å; R192-K194 PolarHBondContact O-N 3.13Å; R192-A195 PolarHBondContact O-N 3.03Å; R192-L196 HydrophobicContact CG-CD1 3.99Å; R192-L196 WeakPolarHBondContact O-CG 3.37Å; R192-L196 PolarHBondContact O-N 3.27Å
193F98.5Very high98.5Very high4 Ų441.6 Ų41.62%0.01825%0.25CS..Hα-helixtrans-57.8-47.4173.1-77.7-44.2000111.7F160 I163 L168 I189 E190 A195 L196 G197 A198 V200 W348 L349F160-F193 AromaticContact CE1-CD1 3.59Å; F160-F193 HydrophobicContact CE1-CD1 3.59Å; F160-F193 AromaticContact CE1-CE1 3.56Å; F160-F193 HydrophobicContact CE1-CE1 3.56Å; F160-F193 HydrophobicContact CE1-CG 4.41Å; F160-F193 HydrophobicContact CE1-CZ 4.39Å; F160-F193 AromaticContact CZ-CD1 3.68Å; F160-F193 HydrophobicContact CZ-CD1 3.68Å; F160-F193 HydrophobicContact CZ-CD2 4.48Å; F160-F193 AromaticContact CZ-CE1 3.64Å; F160-F193 HydrophobicContact CZ-CE1 3.64Å; F160-F193 HydrophobicContact CZ-CE2 4.48Å; F160-F193 HydrophobicContact CZ-CG 4.1Å; F160-F193 HydrophobicContact CZ-CZ 4.06Å; I163-F193 HydrophobicContact CD1-CE1 4.17Å; L168-F193 HydrophobicContact CD1-CD1 4.27Å; L168-F193 HydrophobicContact CD1-CE1 3.67Å; L168-F193 HydrophobicContact CD1-CZ 4.41Å; I189-F193 HydrophobicContact CG2-CD2 3.84Å; I189-F193 HydrophobicContact CG2-CE2 3.47Å; I189-F193 VanDerWaalsContact CG2-CE2 3.47Å; I189-F193 HydrophobicContact CG2-CZ 4.07Å; I189-F193 WeakPolarHBondContact O-CD2 3.2Å; I189-F193 PolarHBondContact O-N 2.97Å; E190-F193 PolarHBondContact O-N 2.92Å; F193-A195 PolarHBondContact O-N 3.33Å; F193-L196 CarbonylContact O-C 3.56Å; F193-L196 PolarHBondContact O-N 2.87Å; F193-G197 PolarHBondContact O-N 3.42Å; F193-G197 VanDerWaalsContact O-N 3.09Å; F193-A198 HydrophobicContact CB-CB 3.96Å; F193-A198 HydrophobicContact CD1-CB 3.62Å; F193-A198 HydrophobicContact CG-CB 4.16Å; F193-A198 PolarHBondContact O-N 3.43Å; F193-V200 HydrophobicContact CD1-CG2 4.36Å; F193-V200 HydrophobicContact CD2-CB 4.16Å; F193-V200 HydrophobicContact CD2-CG1 4.18Å; F193-V200 HydrophobicContact CE1-CG2 4.4Å; F193-V200 HydrophobicContact CE2-CB 4.43Å; F193-V200 HydrophobicContact CE2-CG1 4.12Å; F193-V200 HydrophobicContact CG-CB 4.27Å; F193-V200 HydrophobicContact CG-CG2 4.48Å; F193-W348 AromaticContact CE2-CH2 3.89Å; F193-W348 HydrophobicContact CE2-CH2 3.89Å; F193-W348 HydrophobicContact CE2-CZ3 4.18Å; F193-W348 HydrophobicContact CZ-CH2 4.25Å; F193-W348 HydrophobicContact CZ-CZ3 4.32Å; F193-L349 HydrophobicContact CE2-CD2 4.39Å; F193-L349 HydrophobicContact CZ-CD2 3.65Å
194K98.2Very high98.5Very high134 Ų13445.7 Ų45.758%0.58327%0.268SS*.Hα-helixtrans-59.7-45.5176.9-70.8171.2-174.9166.90111.9E190 A191 R192 L196 G197E190-K194 VanDerWaalsContact CD-NZ 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.42Å; E190-K194 PolarHBondContact O-N 3.33Å; E190-K194 VanDerWaalsContact O-N 3.08Å; E190-K194 WeakPolarHBondContact OE1-CE 3.36Å; E190-K194 IonicContact OE1-NZ 3.69Å; E190-K194 PolarHBondContact OE1-NZ 3.28Å; E190-K194 IonicContact OE2-NZ 2.9Å; A191-K194 PolarHBondContact O-N 2.76Å; R192-K194 VanDerWaalsContact C-N 3.34Å; R192-K194 PolarHBondContact O-N 3.13Å; K194-L196 VanDerWaalsContact C-N 3.27Å; K194-L196 PolarHBondContact O-N 3.02Å; K194-G197 PolarHBondContact O-N 3.43Å; K194-G197 VanDerWaalsContact O-N 3.12Å
195A98.1Very high98.5Very high83 Ų8345.6 Ų45.669%0.68627%0.267SS*.Hα-helixtrans-62.7-33179.200000113A191 R192 F193A191-A195 WeakPolarHBondContact O-CB 3.47Å; A191-A195 PolarHBondContact O-N 3.12Å; R192-A195 PolarHBondContact O-N 3.03Å; F193-A195 PolarHBondContact O-N 3.33Å
196L97.9Very high98.5Very high94 Ų9447.8 Ų47.849%0.49228%0.277SS..THydrogen-bonded Turntrans-87.9-1.2177.5-65.1175.1000113.6F160 V165 R192 F193 K194 A198F160-L196 HydrophobicContact CD1-CD1 3.83Å; F160-L196 HydrophobicContact CE1-CD1 3.96Å; V165-L196 HydrophobicContact CG1-CB 4.12Å; V165-L196 HydrophobicContact CG2-CD1 3.84Å; R192-L196 HydrophobicContact CG-CD1 3.99Å; R192-L196 WeakPolarHBondContact O-CG 3.37Å; R192-L196 PolarHBondContact O-N 3.27Å; F193-L196 CarbonylContact O-C 3.56Å; F193-L196 PolarHBondContact O-N 2.87Å; K194-L196 VanDerWaalsContact C-N 3.27Å; K194-L196 PolarHBondContact O-N 3.02Å; L196-A198 PolarHBondContact O-N 3.49Å
197G97.6Very high98.5Very high64 Ų6448.7 Ų48.766%0.6628%0.282SS*.THydrogen-bonded Turntrans67.124-176.800000113.7F193 K194F193-G197 PolarHBondContact O-N 3.42Å; F193-G197 VanDerWaalsContact O-N 3.09Å; K194-G197 PolarHBondContact O-N 3.43Å; K194-G197 VanDerWaalsContact O-N 3.12Å
198A98.1Very high98.4Very high13 Ų1350.6 Ų50.611%0.10730%0.296CS..  trans-68.1133.2177.500000110V165 L168 F193 L196 V200V165-A198 HydrophobicContact CG1-CB 3.49Å; V165-A198 VanDerWaalsContact CG1-CB 3.49Å; L168-A198 HydrophobicContact CD1-CB 4.41Å; F193-A198 HydrophobicContact CB-CB 3.96Å; F193-A198 HydrophobicContact CD1-CB 3.62Å; F193-A198 HydrophobicContact CG-CB 4.16Å; F193-A198 PolarHBondContact O-N 3.43Å; L196-A198 PolarHBondContact O-N 3.49Å; A198-V200 HydrophobicContact CB-CG2 4.29Å; A198-V200 PolarHBondContact O-N 3.46Å
199P98Very high98.4Very high57 Ų5751.6 Ų51.637%0.3730%0.301SS..  trans-8153-178.835.8-38.1000111.8L168 P170 L171L168-P199 WeakPolarHBondContact O-CG 3.32Å; P170-P199 VanDerWaalsContact CA-O 3.23Å; P170-P199 WeakPolarHBondContact CA-O 3.31Å; P170-P199 HydrophobicContact CG-CB 4.15Å; P170-P199 HydrophobicContact CG-CG 4.49Å; L171-P199 PolarHBondContact N-O 3.48Å
200V98.7Very high98.4Very high22 Ų2254.1 Ų54.113%0.13331%0.314CS..EExtended strand (participates in β ladder)trans-111.1123.8-178.6-1760000110.2L168 L171 L173 F193 A198 L202L168-V200 HydrophobicContact CB-CG2 4.45Å; L168-V200 HydrophobicContact CD1-CG2 3.87Å; L171-V200 HydrophobicContact CB-CG2 4.48Å; L171-V200 CarbonylContact O-C 3.53Å; L171-V200 WeakPolarHBondContact O-CA 3.22Å; L173-V200 HydrophobicContact CD1-CG1 4.03Å; L173-V200 HydrophobicContact CG-CG1 4.34Å; F193-V200 HydrophobicContact CD1-CG2 4.36Å; F193-V200 HydrophobicContact CD2-CB 4.16Å; F193-V200 HydrophobicContact CD2-CG1 4.18Å; F193-V200 HydrophobicContact CE1-CG2 4.4Å; F193-V200 HydrophobicContact CE2-CB 4.43Å; F193-V200 HydrophobicContact CE2-CG1 4.12Å; F193-V200 HydrophobicContact CG-CB 4.27Å; F193-V200 HydrophobicContact CG-CG2 4.48Å; A198-V200 HydrophobicContact CB-CG2 4.29Å; A198-V200 PolarHBondContact O-N 3.46Å; V200-L202 HydrophobicContact CG1-CD2 3.72Å; V200-L202 HydrophobicContact CG1-CG 4.48Å
201E98.7Very high98.4Very high100 Ų10052.7 Ų52.747%0.46731%0.308SS..EExtended strand (participates in β ladder)trans-100.9127.3171.2-176.6-175.2-177.900109.6L171 K172 L173 I203L171-E201 PolarHBondContact O-N 3.04Å; K172-E201 WeakPolarHBondContact CA-O 3.13Å; K172-E201 WeakPolarHBondContact CE-OE2 3.43Å; K172-E201 HydrophobicContact CG-CB 4.41Å; K172-E201 HydrophobicContact CG-CG 4.45Å; L173-E201 PolarHBondContact N-O 3Å; E201-I203 HydrophobicContact CG-CD1 4.26Å; E201-I203 WeakPolarHBondContact OE1-CD1 3.37Å
202L98.8Very high98.3Very high14 Ų1454.6 Ų54.67%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-106.2120.6175.6-56.8-172.4000110.8L173 I175 V186 E190 V200L173-L202 HydrophobicContact CB-CD2 3.83Å; L173-L202 HydrophobicContact CD1-CD2 4.12Å; L173-L202 HydrophobicContact CG-CD2 4.35Å; L173-L202 CarbonylContact O-C 3.57Å; L173-L202 WeakPolarHBondContact O-CA 3.17Å; I175-L202 HydrophobicContact CD1-CD1 4.01Å; I175-L202 HydrophobicContact CD1-CD2 3.87Å; I175-L202 HydrophobicContact CD1-CG 4.46Å; I175-L202 HydrophobicContact CG1-CD2 4.39Å; V186-L202 HydrophobicContact CG1-CD1 4.32Å; E190-L202 HydrophobicContact CB-CD1 3.75Å; E190-L202 HydrophobicContact CG-CB 4.44Å; E190-L202 HydrophobicContact CG-CD1 3.88Å; E190-L202 HydrophobicContact CG-CG 4.25Å; V200-L202 HydrophobicContact CG1-CD2 3.72Å; V200-L202 HydrophobicContact CG1-CG 4.48Å
203I98.8Very high98.2Very high26 Ų2652 Ų5213%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-93.5102.2170.1-53.4-58.4000108.2K172 L173 V174 I175 E201 H236K172-I203 HydrophobicContact CD-CG1 4.17Å; K172-I203 HydrophobicContact CG-CD1 4.49Å; K172-I203 HydrophobicContact CG-CG1 3.95Å; L173-I203 PolarHBondContact O-N 2.99Å; V174-I203 WeakPolarHBondContact CA-O 3.1Å; V174-I203 HydrophobicContact CG2-CB 3.91Å; V174-I203 HydrophobicContact CG2-CG2 4.17Å; I175-I203 PolarHBondContact N-O 3.17Å; E201-I203 HydrophobicContact CG-CD1 4.26Å; E201-I203 WeakPolarHBondContact OE1-CD1 3.37Å; I203-H236 HydrophobicContact CG1-CB 4.19Å
204K98.8Very high98.2Very high86 Ų8655.8 Ų55.837%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-85.3122.6-173.8-68.2-173-61.7-162.50111.7V186 D187 E190 N207V186-K204 HydrophobicContact CG1-CD 4.14Å; V186-K204 HydrophobicContact CG1-CG 4.32Å; D187-K204 WeakPolarHBondContact OD1-CD 3.28Å; D187-K204 IonicContact OD1-NZ 3.58Å; D187-K204 PolarHBondContact OD1-NZ 3Å; E190-K204 IonicContact OE2-NZ 3.99Å; E190-K204 PolarHBondContact OE2-NZ 3.39Å; K204-N207 HydrophobicContact CB-CB 3.95Å; K204-N207 HydrophobicContact CD-CB 4.41Å
205V98.6Very high98.1Very high22 Ų2253.2 Ų53.213%0.13332%0.319CS..EExtended strand (participates in β ladder)trans-114.9132.1176.3179.20000108.3V174 I175 N176 S177 N207 D228 A232V174-V205 HydrophobicContact CG1-CG2 4.05Å; I175-V205 PolarHBondContact O-N 3.35Å; N176-V205 WeakPolarHBondContact CA-O 3.26Å; N176-V205 HydrophobicContact CB-CB 4.02Å; N176-V205 HydrophobicContact CB-CG1 4.24Å; N176-V205 PolarHBondContact OD1-O 2.89Å; S177-V205 PolarHBondContact N-O 2.91Å; S177-V205 VanDerWaalsContact N-O 3.17Å; V205-N207 PolarHBondContact O-N 3.37Å; V205-D228 HydrophobicContact CG1-CB 4.33Å; V205-A232 HydrophobicContact CG2-CB 3.7Å
206H98.2Very high97.9Very high47 Ų4751.1 Ų51.122%0.21831%0.305CS..SBendtrans4641178.6-51.9-31.8000113.7N179 N215 D228N179-H206 WeakPolarHBondContact CA-O 3.15Å; N179-H206 PolarHBondContact N-O 3.48Å; H206-N215 PolarHBondContact CE1-ND2 3.29Å; H206-N215 PolarHBondContact CE1-OD1 3.43Å; H206-N215 VanDerWaalsContact CE1-OD1 3.29Å; H206-N215 PolarHBondContact ND1-ND2 2.86Å; H206-N215 VanDerWaalsContact ND1-ND2 3.19Å; H206-D228 IonicContact CD2-OD2 3.49Å; H206-D228 IonicContact CE1-OD2 3.89Å; H206-D228 IonicContact NE2-OD2 2.75Å; H206-D228 PolarHBondContact NE2-OD2 2.8Å
207N98.6Very high97.7Very high19 Ų1948.8 Ų48.810%0.10229%0.293CS..  trans-76.5-29.9-168.9-164.767.3000113.8S177 G183 D187 K204 V205 P209S177-N207 PolarHBondContact OG-OD1 3.09Å; G183-N207 VanDerWaalsContact CA-O 3.27Å; G183-N207 WeakPolarHBondContact CA-O 3.3Å; G183-N207 VanDerWaalsContact CA-OD1 3.29Å; G183-N207 WeakPolarHBondContact CA-OD1 3.48Å; G183-N207 PolarHBondContact O-ND2 3.5Å; D187-N207 PolarHBondContact OD1-ND2 3.27Å; D187-N207 PolarHBondContact OD2-ND2 3.05Å; K204-N207 HydrophobicContact CB-CB 3.95Å; K204-N207 HydrophobicContact CD-CB 4.41Å; V205-N207 PolarHBondContact O-N 3.37Å; N207-P209 WeakPolarHBondContact O-CD 3.28Å
208T98.5Very high97.5Very high105 Ų10546.1 Ų46.164%0.64426%0.264SS*.SBendtrans-72123.6179.6-53.60000109.8N179 D210N179-T208 PolarHBondContact ND2-O 3.04Å; T208-D210 PolarHBondContact O-N 3.16Å
209P98.6Very high97.2Very high38 Ų3846.5 Ų46.525%0.24726%0.264CS..  trans-59.3128.8174.5-24.736.3000111.1V47 M74 N179 P184 N207V47-P209 HydrophobicContact CB-CB 4.33Å; V47-P209 HydrophobicContact CG2-CB 3.44Å; V47-P209 VanDerWaalsContact CG2-CB 3.44Å; M74-P209 HydrophobicContact CE-CB 3.93Å; M74-P209 HydrophobicContact CE-CG 3.69Å; M74-P209 HydrophobicContact SD-CB 4Å; M74-P209 HydrophobicContact SD-CG 4.41Å; N179-P209 WeakPolarHBondContact O-CA 3.45Å; P184-P209 HydrophobicContact CG-CG 3.91Å; N207-P209 WeakPolarHBondContact O-CD 3.28Å
210D98.4Very high96.9Very high53 Ų5344 Ų4428%0.28325%0.248SC..  trans-147.4109.2174.3-175.9-8.3000109.8N179 T208 N212 F213 P214N179-D210 HydrophobicContact CB-CB 4.19Å; N179-D210 PolarHBondContact O-N 2.93Å; T208-D210 PolarHBondContact O-N 3.16Å; D210-N212 PolarHBondContact O-N 3.14Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-N212 VanDerWaalsContact OD1-CB 3.32Å; D210-N212 WeakPolarHBondContact OD1-CB 3.47Å; D210-N212 PolarHBondContact OD1-N 2.89Å; D210-N212 PolarHBondContact OD1-ND2 2.97Å; D210-F213 PolarHBondContact O-N 2.83Å; D210-P214 WeakPolarHBondContact OD2-CD 3.49Å
211G97.5Very high96.3Very high4 Ų444.8 Ų44.84%0.04125%0.251CS..THydrogen-bonded Turntrans-68.2-5.3-177.700000114.6V47 M102 F213V47-G211 WeakPolarHBondContact O-CA 3.37Å; M102-G211 WeakPolarHBondContact CE-O 3.19Å; G211-F213 VanDerWaalsContact C-N 3.34Å
212N97.9Very high95.6Very high97 Ų9742.8 Ų42.852%0.51924%0.243SC..THydrogen-bonded Turntrans-81.2-15.8168.4-61.1-80.2000112.7D210D210-N212 PolarHBondContact O-N 3.14Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-N212 VanDerWaalsContact OD1-CB 3.32Å; D210-N212 WeakPolarHBondContact OD1-CB 3.47Å; D210-N212 PolarHBondContact OD1-N 2.89Å; D210-N212 PolarHBondContact OD1-ND2 2.97Å
213F96.7Very high95.2Very high11 Ų1146 Ų465%0.04827%0.265CS..  trans4767.1-175.4-57.4-67.3000113.3V47 R48 M102 N179 D210 G211 N215 G216 I217 P218V47-F213 HydrophobicContact CG1-CE1 3.75Å; V47-F213 HydrophobicContact CG1-CZ 3.67Å; R48-F213 VanDerWaalsContact NE-CE2 3.34Å; M102-F213 HydrophobicContact SD-CD2 3.6Å; M102-F213 VanDerWaalsContact SD-CD2 3.6Å; M102-F213 HydrophobicContact SD-CE2 4.14Å; N179-F213 HydrophobicContact CB-CD1 4.24Å; D210-F213 PolarHBondContact O-N 2.83Å; G211-F213 VanDerWaalsContact C-N 3.34Å; F213-N215 PolarHBondContact O-N 2.9Å; F213-G216 PolarHBondContact O-N 3.22Å; F213-I217 HydrophobicContact CD2-CG1 4.07Å; F213-I217 HydrophobicContact CG-CG1 4.48Å; F213-P218 VanDerWaalsContact CD1-CD 3.43Å; F213-P218 HydrophobicContact CD1-CG 4.24Å; F213-P218 VanDerWaalsContact CE1-CD 3.47Å; F213-P218 HydrophobicContact CE1-CG 3.89Å
214P97.1Very high94.7Very high83 Ų8351.2 Ų51.254%0.53929%0.289SS..THydrogen-bonded Turntrans-60.6-20.4-176.625.1-34.6000113.8D210D210-P214 WeakPolarHBondContact OD2-CD 3.49Å
215N95.7Very high94.4Very high80 Ų8049.2 Ų49.243%0.42829%0.285SS..THydrogen-bonded Turntrans-105.116.2177.4-53.9-72.7000113N179 H206 F213N179-N215 PolarHBondContact OD1-ND2 3.27Å; H206-N215 PolarHBondContact CE1-ND2 3.29Å; H206-N215 PolarHBondContact CE1-OD1 3.43Å; H206-N215 VanDerWaalsContact CE1-OD1 3.29Å; H206-N215 PolarHBondContact ND1-ND2 2.86Å; H206-N215 VanDerWaalsContact ND1-ND2 3.19Å; F213-N215 PolarHBondContact O-N 2.9Å
216G94.9Very high94.3Very high39 Ų3950.5 Ų50.540%0.40229%0.288SS..  trans89.6157.7-176.100000113.4F213F213-G216 PolarHBondContact O-N 3.22Å
217I93.3Very high94.2Very high44 Ų4452 Ų5223%0.22630%0.297CS..  trans-62.7130-179.6-62.5171.8000108.7M102 F213 N219M102-I217 HydrophobicContact CG-CD1 4.24Å; M102-I217 HydrophobicContact SD-CD1 4.47Å; M102-I217 HydrophobicContact SD-CG1 4.41Å; F213-I217 HydrophobicContact CD2-CG1 4.07Å; F213-I217 HydrophobicContact CG-CG1 4.48Å; I217-N219 PolarHBondContact O-N 3.16Å
218P92.8Very high94.1Very high8 Ų854.4 Ų54.45%0.05231%0.31CS..  trans-67.2100-177.826.3-35.4000111.2F213 D245 G246F213-P218 VanDerWaalsContact CD1-CD 3.43Å; F213-P218 HydrophobicContact CD1-CG 4.24Å; F213-P218 VanDerWaalsContact CE1-CD 3.47Å; F213-P218 HydrophobicContact CE1-CG 3.89Å; P218-D245 WeakPolarHBondContact O-CA 3.4Å; P218-G246 VanDerWaalsContact CG-CA 3.42Å
219N92.8Very high94.2Very high22 Ų2249.4 Ų49.412%0.11828%0.28CS..  trans-141.173.5172.4-169.811.9000111.8H99 I217 L221 L222 C225H99-N219 HydrophobicContact CB-CB 4.12Å; I217-N219 PolarHBondContact O-N 3.16Å; N219-L221 PolarHBondContact O-N 3.36Å; N219-L222 HydrophobicContact CB-CD1 4.23Å; N219-L222 HydrophobicContact CB-CG 4.42Å; N219-L222 WeakPolarHBondContact ND2-CD1 3.31Å; N219-L222 WeakPolarHBondContact O-CB 3.36Å; N219-L222 PolarHBondContact O-N 3.04Å; N219-C225 VanDerWaalsContact O-CB 3.27Å; N219-C225 WeakPolarHBondContact O-CB 3.5Å
220P92.1Very high94.1Very high5 Ų552.3 Ų52.33%0.03229%0.286CS..THydrogen-bonded Turntrans-63.7-8.1-175.2-21.433.4000115.4L222 R226 A243 F244 F252P220-L222 PolarHBondContact O-N 2.66Å; P220-R226 VanDerWaalsContact O-CG 3.28Å; P220-R226 WeakPolarHBondContact O-CG 3.1Å; P220-R226 PolarHBondContact O-NE 3.45Å; P220-A243 HydrophobicContact CB-CB 3.98Å; P220-A243 HydrophobicContact CG-CB 3.59Å; P220-F244 WeakPolarHBondContact CD-O 3.42Å; P220-F244 WeakPolarHBondContact CG-O 3.02Å; P220-F252 HydrophobicContact CB-CB 3.9Å; P220-F252 HydrophobicContact CB-CD1 4.37Å; P220-F252 HydrophobicContact CB-CD2 3.52Å; P220-F252 HydrophobicContact CB-CE2 4.14Å; P220-F252 HydrophobicContact CB-CG 3.64Å; P220-F252 HydrophobicContact CG-CD2 3.47Å; P220-F252 VanDerWaalsContact CG-CD2 3.47Å; P220-F252 HydrophobicContact CG-CE2 3.93Å; P220-F252 HydrophobicContact CG-CG 4.13Å
221L84.6Confident94.1Very high38 Ų3853.8 Ų53.820%0.19929%0.293CS..THydrogen-bonded Turntrans-60.2-30.4166.1-76.6-178.7000112.2N219 R226 R250 F252 F260N219-L221 PolarHBondContact O-N 3.36Å; L221-R226 PolarHBondContact O-NH2 2.96Å; L221-R250 VanDerWaalsContact CD1-NH1 3.33Å; L221-F252 HydrophobicContact CB-CE1 4.48Å; L221-F252 HydrophobicContact CD1-CE1 4.42Å; L221-F252 HydrophobicContact CD2-CD1 4.13Å; L221-F252 HydrophobicContact CD2-CE1 3.44Å; L221-F252 VanDerWaalsContact CD2-CE1 3.44Å; L221-F252 HydrophobicContact CD2-CZ 4.32Å; L221-F252 HydrophobicContact CG-CD1 4.41Å; L221-F252 HydrophobicContact CG-CE1 3.45Å; L221-F252 VanDerWaalsContact CG-CE1 3.45Å; L221-F252 HydrophobicContact CG-CZ 3.84Å; L221-F260 HydrophobicContact CD2-CZ 4.49Å
222L85.3Confident94.2Very high57 Ų5754.1 Ų54.130%0.29830%0.296SS..SBendtrans-80.3126.5177.6-62.8178.8000110N219 P220 E224 C225 R226N219-L222 HydrophobicContact CB-CD1 4.23Å; N219-L222 HydrophobicContact CB-CG 4.42Å; N219-L222 WeakPolarHBondContact ND2-CD1 3.31Å; N219-L222 WeakPolarHBondContact O-CB 3.36Å; N219-L222 PolarHBondContact O-N 3.04Å; P220-L222 PolarHBondContact O-N 2.66Å; L222-E224 HydrophobicContact CB-CG 4.21Å; L222-E224 PolarHBondContact O-N 2.83Å; L222-E224 VanDerWaalsContact O-N 3.17Å; L222-C225 HydrophobicContact CB-CB 4.35Å; L222-C225 WeakPolarHBondContact O-CB 3.34Å; L222-C225 PolarHBondContact O-N 2.75Å; L222-R226 WeakPolarHBondContact O-CG 3.37Å
223P89.9Confident94.3Very high83 Ų8349.5 Ų49.554%0.53927%0.271SS..G310 helixtrans-50.3-39.4179.3-29.936.9000114.4C225 R226P223-C225 PolarHBondContact O-N 2.91Å; P223-R226 WeakPolarHBondContact O-CB 3.42Å; P223-R226 PolarHBondContact O-N 2.93Å; P223-R226 VanDerWaalsContact O-N 3.17Å
224E89Confident94.4Very high135 Ų13553.3 Ų53.363%0.63129%0.291SS*.G310 helixtrans-65.3-19.6178.162-90.9-149.400114.1L222L222-E224 HydrophobicContact CB-CG 4.21Å; L222-E224 PolarHBondContact O-N 2.83Å; L222-E224 VanDerWaalsContact O-N 3.17Å
225C92.2Very high94.4Very high43 Ų4357.3 Ų57.329%0.29130%0.3SS..G310 helixtrans-935.6177.4-62.80000113N219 L222 P223N219-C225 VanDerWaalsContact O-CB 3.27Å; N219-C225 WeakPolarHBondContact O-CB 3.5Å; L222-C225 HydrophobicContact CB-CB 4.35Å; L222-C225 WeakPolarHBondContact O-CB 3.34Å; L222-C225 PolarHBondContact O-N 2.75Å; P223-C225 PolarHBondContact O-N 2.91Å
226R95.4Very high94.6Very high50 Ų5056.8 Ų56.819%0.18930%0.295CS..SBendtrans-98.3-22.1-172.6-64.7-179.9-170.2175.6-0.3114.1P220 L221 L222 P223 D228 T229 R230 F254 F260P220-R226 VanDerWaalsContact O-CG 3.28Å; P220-R226 WeakPolarHBondContact O-CG 3.1Å; P220-R226 PolarHBondContact O-NE 3.45Å; L221-R226 PolarHBondContact O-NH2 2.96Å; L222-R226 WeakPolarHBondContact O-CG 3.37Å; P223-R226 WeakPolarHBondContact O-CB 3.42Å; P223-R226 PolarHBondContact O-N 2.93Å; P223-R226 VanDerWaalsContact O-N 3.17Å; R226-D228 PolarHBondContact O-N 3.37Å; R226-T229 PolarHBondContact O-N 3.12Å; R226-R230 WeakPolarHBondContact O-CB 3.37Å; R226-R230 PolarHBondContact O-N 2.88Å; R226-F254 HydrophobicContact CB-CE1 3.88Å; R226-F254 HydrophobicContact CB-CZ 3.95Å; R226-F254 HydrophobicContact CG-CE1 4.26Å; R226-F254 HydrophobicContact CG-CZ 4.03Å; R226-F260 VanDerWaalsContact CZ-CD1 3.47Å; R226-F260 VanDerWaalsContact NH1-CD1 3.27Å
227D97Very high94.7Very high78 Ų7857.6 Ų57.642%0.41730%0.303SS..Hα-helixtrans-63.4-39.3-167.2-82.2-20.5000113T229 R230 N231D227-T229 PolarHBondContact O-N 3.25Å; D227-R230 PolarHBondContact O-N 2.9Å; D227-N231 WeakPolarHBondContact O-CB 3.41Å; D227-N231 PolarHBondContact O-N 3.43Å; D227-N231 PolarHBondContact O-ND2 2.87Å; D227-N231 VanDerWaalsContact O-ND2 3.08Å
228D97.6Very high95Very high70 Ų7055.6 Ų55.637%0.37429%0.293SS..Hα-helixtrans-62-43.4-179.6-73-20.6000112.3V205 H206 R226 A232V205-D228 HydrophobicContact CG1-CB 4.33Å; H206-D228 IonicContact CD2-OD2 3.49Å; H206-D228 IonicContact CE1-OD2 3.89Å; H206-D228 IonicContact NE2-OD2 2.75Å; H206-D228 PolarHBondContact NE2-OD2 2.8Å; R226-D228 PolarHBondContact O-N 3.37Å; D228-A232 VanDerWaalsContact O-CB 3.28Å; D228-A232 WeakPolarHBondContact O-CB 3.37Å; D228-A232 PolarHBondContact O-N 2.77Å
229T98.6Very high95.3Very high0 Ų058.1 Ų58.10%031%0.306CS..Hα-helixtrans-66.8-49.2176.7-48.20000110.5V174 N176 R226 D227 N231 A232 V233 A243 F254V174-T229 HydrophobicContact CG1-CG2 4.08Å; N176-T229 HydrophobicContact CB-CG2 4.37Å; N176-T229 VanDerWaalsContact CB-OG1 3.3Å; N176-T229 WeakPolarHBondContact CB-OG1 3.41Å; N176-T229 PolarHBondContact ND2-OG1 3Å; R226-T229 PolarHBondContact O-N 3.12Å; D227-T229 PolarHBondContact O-N 3.25Å; T229-N231 PolarHBondContact O-N 3.44Å; T229-A232 PolarHBondContact O-N 3.25Å; T229-V233 WeakPolarHBondContact O-CG2 3.39Å; T229-V233 PolarHBondContact O-N 3.38Å; T229-A243 HydrophobicContact CG2-CB 4.36Å; T229-F254 HydrophobicContact CG2-CD2 3.47Å; T229-F254 VanDerWaalsContact CG2-CD2 3.47Å; T229-F254 HydrophobicContact CG2-CE2 3.6Å; T229-F254 HydrophobicContact CG2-CG 4Å; T229-F254 HydrophobicContact CG2-CZ 4.19Å
230R98.4Very high95.6Very high98 Ų9857.2 Ų57.237%0.3730%0.301SS..Hα-helixtrans-56.8-49.4178.3167.4173-177.2-133.80.4112.1R226 D227 A232 V233 I234 F254 G258R226-R230 WeakPolarHBondContact O-CB 3.37Å; R226-R230 PolarHBondContact O-N 2.88Å; D227-R230 PolarHBondContact O-N 2.9Å; R230-A232 VanDerWaalsContact C-N 3.33Å; R230-A232 PolarHBondContact O-N 3.23Å; R230-V233 PolarHBondContact O-N 3.38Å; R230-I234 HydrophobicContact CG-CD1 3.9Å; R230-I234 WeakPolarHBondContact O-CG1 3.04Å; R230-I234 PolarHBondContact O-N 3.28Å; R230-I234 VanDerWaalsContact O-N 3.08Å; R230-F254 HydrophobicContact CB-CD1 4.44Å; R230-F254 HydrophobicContact CB-CE1 4.46Å; R230-G258 WeakPolarHBondContact CB-O 3.34Å; R230-G258 WeakPolarHBondContact CD-O 3.27Å; R230-G258 WeakPolarHBondContact CG-O 3.32Å
231N98.6Very high95.9Very high84 Ų8457 Ų5745%0.44930%0.3SS..Hα-helixtrans-65.4-39.1-177.5-70-26.7000110.9D227 T229 K235D227-N231 WeakPolarHBondContact O-CB 3.41Å; D227-N231 PolarHBondContact O-N 3.43Å; D227-N231 PolarHBondContact O-ND2 2.87Å; D227-N231 VanDerWaalsContact O-ND2 3.08Å; T229-N231 PolarHBondContact O-N 3.44Å; N231-K235 WeakPolarHBondContact O-CB 3.08Å; N231-K235 PolarHBondContact O-N 2.72Å
232A98.7Very high96.6Very high11 Ų1155.2 Ų55.29%0.09129%0.29CS..Hα-helixtrans-64.3-42174.600000112V174 V205 D228 T229 R230 I234 K235 H236V174-A232 HydrophobicContact CG1-CB 3.77Å; V174-A232 HydrophobicContact CG2-CB 3.95Å; V205-A232 HydrophobicContact CG2-CB 3.7Å; D228-A232 VanDerWaalsContact O-CB 3.28Å; D228-A232 WeakPolarHBondContact O-CB 3.37Å; D228-A232 PolarHBondContact O-N 2.77Å; T229-A232 PolarHBondContact O-N 3.25Å; R230-A232 VanDerWaalsContact C-N 3.33Å; R230-A232 PolarHBondContact O-N 3.23Å; A232-I234 PolarHBondContact O-N 3.08Å; A232-K235 PolarHBondContact O-N 3.18Å; A232-H236 WeakPolarHBondContact O-CB 3.17Å; A232-H236 PolarHBondContact O-CD2 3.08Å; A232-H236 VanDerWaalsContact O-CD2 3.25Å; A232-H236 PolarHBondContact O-N 3.47Å
233V98.9Very high97.2Very high0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-57.9-51.6176.6168.30000110.7V174 T229 R230 H236 G237 A238 G241 D255V174-V233 HydrophobicContact CB-CG2 3.86Å; V174-V233 HydrophobicContact CG1-CG2 4.32Å; V174-V233 HydrophobicContact CG2-CG2 3.99Å; T229-V233 WeakPolarHBondContact O-CG2 3.39Å; T229-V233 PolarHBondContact O-N 3.38Å; R230-V233 PolarHBondContact O-N 3.38Å; V233-H236 PolarHBondContact O-N 3.45Å; V233-G237 PolarHBondContact O-N 3.48Å; V233-A238 HydrophobicContact CG1-CB 4.36Å; V233-A238 HydrophobicContact CG2-CB 4.46Å; V233-A238 PolarHBondContact O-N 3.46Å; V233-A238 VanDerWaalsContact O-N 3.08Å; V233-G241 VanDerWaalsContact CG2-CA 3.47Å; V233-D255 WeakPolarHBondContact CG1-O 3.48Å
234I98.8Very high97.6Very high91 Ų9148.6 Ų48.647%0.46725%0.251SS..Hα-helixtrans-63-46.7-179.6-64.7166.2000110.8R230 A232 H236 G237R230-I234 HydrophobicContact CG-CD1 3.9Å; R230-I234 WeakPolarHBondContact O-CG1 3.04Å; R230-I234 PolarHBondContact O-N 3.28Å; R230-I234 VanDerWaalsContact O-N 3.08Å; A232-I234 PolarHBondContact O-N 3.08Å; I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 PolarHBondContact O-N 3.02Å; I234-G237 PolarHBondContact O-N 2.85Å
235K98.7Very high97.9Very high167 Ų16742.2 Ų42.273%0.72622%0.221SC*.Hα-helixtrans-61.4-39.5-177.5177.3-178.5174.1-173.80112.6N231 A232N231-K235 WeakPolarHBondContact O-CB 3.08Å; N231-K235 PolarHBondContact O-N 2.72Å; A232-K235 PolarHBondContact O-N 3.18Å
236H98.6Very high98.1Very high70 Ų7040.1 Ų40.132%0.32421%0.207SC..Hα-helixtrans-96.4-5.1-173.9-70.7-84.9000113.8K172 I203 A232 V233 I234 A238K172-H236 HydrophobicContact CD-CB 4.24Å; K172-H236 VanDerWaalsContact CD-O 3.31Å; K172-H236 WeakPolarHBondContact CD-O 3.11Å; K172-H236 PolarHBondContact NZ-O 3.37Å; I203-H236 HydrophobicContact CG1-CB 4.19Å; A232-H236 WeakPolarHBondContact O-CB 3.17Å; A232-H236 PolarHBondContact O-CD2 3.08Å; A232-H236 VanDerWaalsContact O-CD2 3.25Å; A232-H236 PolarHBondContact O-N 3.47Å; V233-H236 PolarHBondContact O-N 3.45Å; I234-H236 VanDerWaalsContact C-N 3.32Å; I234-H236 PolarHBondContact O-N 3.02Å; H236-A238 VanDerWaalsContact C-N 3.3Å
237G98.4Very high98.2Very high55 Ų5537.8 Ų37.857%0.56720%0.198SC*.THydrogen-bonded Turntrans55.549.7-171.800000110.3V233 I234V233-G237 PolarHBondContact O-N 3.48Å; I234-G237 PolarHBondContact O-N 2.85Å
238A98.8Very high98.2Very high3 Ų334 Ų343%0.02518%0.178CC..  trans-79147.8179.900000110.7K172 V174 V233 H236 M240K172-A238 HydrophobicContact CD-CB 4.41Å; K172-A238 HydrophobicContact CG-CB 4.28Å; K172-A238 CarbonylContact O-C 3.34Å; K172-A238 WeakPolarHBondContact O-CA 3.49Å; K172-A238 WeakPolarHBondContact O-CB 3.2Å; V174-A238 HydrophobicContact CG2-CB 3.75Å; V233-A238 HydrophobicContact CG1-CB 4.36Å; V233-A238 HydrophobicContact CG2-CB 4.46Å; V233-A238 PolarHBondContact O-N 3.46Å; V233-A238 VanDerWaalsContact O-N 3.08Å; H236-A238 VanDerWaalsContact C-N 3.3Å; A238-M240 VanDerWaalsContact C-N 3.29Å; A238-M240 PolarHBondContact O-N 3Å
239D98.7Very high98.2Very high61 Ų6130.8 Ų30.833%0.32616%0.161SC..SBendtrans-70.5-29.1179-60.9-72.9000112L171 K172L171-D239 WeakPolarHBondContact CA-OD2 3.39Å; L171-D239 HydrophobicContact CD2-CB 4Å; K172-D239 PolarHBondContact N-OD2 2.77Å; K172-D239 PolarHBondContact O-N 2.76Å
240M98.6Very high98.1Very high3 Ų331.1 Ų31.12%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-161.3154176.1128.9178.676.100110.6L173 V174 A238 I242 L253 F254 V351 A352 L362L173-M240 HydrophobicContact CD2-CB 4.33Å; L173-M240 HydrophobicContact CD2-CE 3.59Å; L173-M240 HydrophobicContact CD2-CG 4.22Å; V174-M240 PolarHBondContact N-O 2.93Å; A238-M240 VanDerWaalsContact C-N 3.29Å; A238-M240 PolarHBondContact O-N 3Å; M240-I242 HydrophobicContact CE-CD1 4.42Å; M240-I242 HydrophobicContact CG-CD1 3.56Å; M240-I242 HydrophobicContact CG-CG1 4.21Å; M240-I242 HydrophobicContact SD-CD1 4.1Å; M240-I242 HydrophobicContact SD-CG1 4.35Å; M240-L253 HydrophobicContact SD-CD2 4.13Å; M240-F254 CarbonylContact C-O 3.55Å; M240-F254 VanDerWaalsContact CA-O 3.31Å; M240-F254 WeakPolarHBondContact CA-O 3.48Å; M240-V351 HydrophobicContact CE-CG1 4.16Å; M240-V351 HydrophobicContact SD-CG1 3.86Å; M240-A352 HydrophobicContact CE-CB 3.91Å; M240-L362 HydrophobicContact CB-CD2 4.49Å; M240-L362 HydrophobicContact SD-CD2 4.25Å
241G98.8Very high98Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-109145.7167.400000112.2V174 V233 L253 F254V174-G241 CarbonylContact O-C 3.5Å; V174-G241 WeakPolarHBondContact O-CA 3.28Å; V233-G241 VanDerWaalsContact CG2-CA 3.47Å; G241-L253 CarbonylContact O-C 3.6Å; G241-L253 WeakPolarHBondContact O-CA 3.3Å; G241-F254 PolarHBondContact N-O 3.34Å; G241-F254 PolarHBondContact O-N 2.88Å
242I98.8Very high98Very high0 Ų022.8 Ų22.80%013%0.125CC..EExtended strand (participates in β ladder)trans-126.3131.6176.7-56.183.6000107.1L173 V174 I175 N176 M240 F244 F252 L253 W348L173-I242 HydrophobicContact CB-CD1 4.03Å; V174-I242 WeakPolarHBondContact O-CD1 3.42Å; V174-I242 PolarHBondContact O-N 3.4Å; I175-I242 CarbonylContact C-O 3.53Å; I175-I242 WeakPolarHBondContact CA-O 3.35Å; I175-I242 HydrophobicContact CG1-CB 4.43Å; I175-I242 HydrophobicContact CG1-CD1 4.23Å; N176-I242 PolarHBondContact N-O 3.35Å; M240-I242 HydrophobicContact CE-CD1 4.42Å; M240-I242 HydrophobicContact CG-CD1 3.56Å; M240-I242 HydrophobicContact CG-CG1 4.21Å; M240-I242 HydrophobicContact SD-CD1 4.1Å; M240-I242 HydrophobicContact SD-CG1 4.35Å; I242-F244 HydrophobicContact CG2-CE1 4.24Å; I242-F244 HydrophobicContact CG2-CE2 3.82Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å; I242-F252 CarbonylContact C-O 3.57Å; I242-F252 WeakPolarHBondContact CA-O 3.46Å; I242-L253 HydrophobicContact CB-CD2 4.44Å; I242-L253 HydrophobicContact CG1-CD2 3.85Å; I242-L253 HydrophobicContact CG2-CD2 4.31Å; I242-W348 HydrophobicContact CG1-CB 3.72Å; I242-W348 HydrophobicContact CG1-CG 4.12Å; I242-W348 HydrophobicContact CG2-CB 4.11Å; I242-W348 HydrophobicContact CG2-CG 4.14Å
243A98.6Very high98Very high1 Ų122.4 Ų22.41%0.00812%0.121CC..EExtended strand (participates in β ladder)trans-127.1153.316900000110.4N176 P220 T229 C251 F252 F254N176-A243 HydrophobicContact CB-CB 4.14Å; N176-A243 WeakPolarHBondContact O-CA 3.42Å; P220-A243 HydrophobicContact CB-CB 3.98Å; P220-A243 HydrophobicContact CG-CB 3.59Å; T229-A243 HydrophobicContact CG2-CB 4.36Å; A243-C251 CarbonylContact O-C 3.6Å; A243-C251 WeakPolarHBondContact O-CA 3.45Å; A243-F252 HydrophobicContact CB-CB 4.35Å; A243-F252 PolarHBondContact N-O 2.82Å; A243-F252 WeakPolarHBondContact O-CD2 3.41Å; A243-F252 PolarHBondContact O-N 2.95Å; A243-F254 HydrophobicContact CB-CE2 4.02Å
244F98.3Very high98Very high1 Ų122.5 Ų22.50%0.00412%0.122CC..EExtended strand (participates in β ladder)trans-119.4163.1178.1-61.2-81.8000111.4I175 N176 A182 V186 P220 I242 F248 R250 C251 G344 M345 W348I175-F244 HydrophobicContact CG2-CD2 4.34Å; I175-F244 HydrophobicContact CG2-CE2 3.65Å; N176-F244 PolarHBondContact O-N 3.24Å; N176-F244 VanDerWaalsContact O-N 3.17Å; A182-F244 HydrophobicContact CB-CB 4.21Å; A182-F244 HydrophobicContact CB-CD2 3.74Å; A182-F244 HydrophobicContact CB-CE2 4.28Å; A182-F244 HydrophobicContact CB-CG 3.99Å; V186-F244 HydrophobicContact CG2-CE2 4.33Å; P220-F244 WeakPolarHBondContact CD-O 3.42Å; P220-F244 WeakPolarHBondContact CG-O 3.02Å; I242-F244 HydrophobicContact CG2-CE1 4.24Å; I242-F244 HydrophobicContact CG2-CE2 3.82Å; I242-F244 HydrophobicContact CG2-CZ 3.65Å; F244-F248 HydrophobicContact CB-CB 3.91Å; F244-F248 HydrophobicContact CD1-CB 3.86Å; F244-F248 HydrophobicContact CG-CB 4.02Å; F244-R250 WeakPolarHBondContact CA-O 3.03Å; F244-R250 WeakPolarHBondContact CD1-O 3.47Å; F244-C251 HydrophobicContact CD1-CB 4.03Å; F244-C251 HydrophobicContact CE1-CB 3.8Å; F244-G344 WeakPolarHBondContact CE1-O 3.26Å; F244-M345 HydrophobicContact CE1-CE 3.99Å; F244-M345 HydrophobicContact CE1-SD 4.09Å; F244-M345 HydrophobicContact CE2-CE 4.16Å; F244-M345 HydrophobicContact CZ-CE 3.77Å; F244-M345 HydrophobicContact CZ-SD 3.76Å; F244-W348 AromaticContact CZ-CD1 3.76Å; F244-W348 AromaticContact CZ-NE1 3.71Å
245D95.9Very high98Very high0 Ų018.7 Ų18.70%010%0.103CC..  trans-86.1-178.4157.974.7-28.1000112.2S98 P218 D247 F248 D249 R250 F252S98-D245 PolarHBondContact OG-OD2 2.52Å; S98-D245 VanDerWaalsContact OG-OD2 3.07Å; P218-D245 WeakPolarHBondContact O-CA 3.4Å; D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 2.96Å; D245-F248 PolarHBondContact O-N 3.31Å; D245-F248 VanDerWaalsContact O-N 3.14Å; D245-F248 WeakPolarHBondContact OD1-CA 3.45Å; D245-F248 PolarHBondContact OD1-N 3.43Å; D245-D249 PolarHBondContact OD1-N 3.04Å; D245-R250 PolarHBondContact N-O 3.17Å; D245-R250 PolarHBondContact OD1-N 3.49Å; D245-R250 IonicContact OD2-CZ 3.6Å; D245-R250 IonicContact OD2-NE 2.62Å; D245-R250 PolarHBondContact OD2-NE 3.23Å; D245-R250 IonicContact OD2-NH2 3.8Å; D245-R250 PolarHBondContact OD2-NH2 3.28Å; D245-F252 HydrophobicContact CB-CE2 4.42Å
246G95.4Very high97.9Very high0 Ų013 Ų130%08%0.078CC..THydrogen-bonded Turntrans-60.3-34.9-16600000115.2G180 A181 P218G180-G246 WeakPolarHBondContact CA-O 3.31Å; A181-G246 PolarHBondContact N-O 3.4Å; P218-G246 VanDerWaalsContact CG-CA 3.42Å
247D97.2Very high97.9Very high0 Ų015.5 Ų15.50%09%0.088CC..THydrogen-bonded Turntrans-110.19.1179.360.9-42.4000113.5G76 T77 T96 S98 K108 D245 D249G76-D247 WeakPolarHBondContact CA-O 3.37Å; T77-D247 WeakPolarHBondContact CB-OD2 3.12Å; T77-D247 PolarHBondContact N-O 3.11Å; T77-D247 VanDerWaalsContact N-O 3.16Å; T77-D247 PolarHBondContact OG1-OD2 3.11Å; T96-D247 HydrophobicContact CG2-CB 4.42Å; T96-D247 WeakPolarHBondContact OG1-CB 3.38Å; S98-D247 WeakPolarHBondContact CA-OD1 3.36Å; S98-D247 WeakPolarHBondContact CB-OD1 3.38Å; S98-D247 PolarHBondContact OG-OD1 2.77Å; S98-D247 VanDerWaalsContact OG-OD1 3.09Å; K108-D247 IonicContact NZ-OD2 2.96Å; K108-D247 PolarHBondContact NZ-OD2 2.98Å; D245-D247 VanDerWaalsContact C-N 3.3Å; D245-D247 PolarHBondContact O-N 2.96Å; D247-D249 PolarHBondContact O-N 3.14Å; D247-D249 VanDerWaalsContact O-N 3.08Å
248F97.9Very high97.9Very high0 Ų012.9 Ų12.90%06%0.062CC..SBendtrans53.522.5168.469.2-99.4000117.8G76 E78 E79 A181 A182 V185 F244 D245 R250 G344 M345G76-F248 VanDerWaalsContact N-CZ 3.27Å; E78-F248 HydrophobicContact CG-CD2 3.92Å; E78-F248 HydrophobicContact CG-CE2 3.5Å; E78-F248 VanDerWaalsContact CG-CE2 3.5Å; E78-F248 WeakPolarHBondContact OE2-CD2 3.46Å; E79-F248 HydrophobicContact CG-CE2 4.45Å; E79-F248 HydrophobicContact CG-CZ 4.05Å; E79-F248 WeakPolarHBondContact OE2-CZ 3.41Å; A181-F248 VanDerWaalsContact C-CE1 3.4Å; A181-F248 HydrophobicContact CB-CD1 3.78Å; A181-F248 HydrophobicContact CB-CE1 3.65Å; A181-F248 VanDerWaalsContact O-CE1 3.29Å; A181-F248 WeakPolarHBondContact O-CE1 3.44Å; A182-F248 VanDerWaalsContact CA-CD1 3.47Å; A182-F248 HydrophobicContact CB-CB 3.76Å; A182-F248 HydrophobicContact CB-CD1 4.01Å; A182-F248 HydrophobicContact CB-CG 4.03Å; A182-F248 VanDerWaalsContact N-CD1 3.26Å; V185-F248 HydrophobicContact CG2-CE2 4.35Å; V185-F248 HydrophobicContact CG2-CZ 3.86Å; F244-F248 HydrophobicContact CB-CB 3.91Å; F244-F248 HydrophobicContact CD1-CB 3.86Å; F244-F248 HydrophobicContact CG-CB 4.02Å; D245-F248 PolarHBondContact O-N 3.31Å; D245-F248 VanDerWaalsContact O-N 3.14Å; D245-F248 WeakPolarHBondContact OD1-CA 3.45Å; D245-F248 PolarHBondContact OD1-N 3.43Å; F248-R250 PolarHBondContact O-N 2.87Å; F248-G344 VanDerWaalsContact O-CA 3.28Å; F248-G344 WeakPolarHBondContact O-CA 3.3Å; F248-G344 PolarHBondContact O-N 2.97Å; F248-M345 HydrophobicContact CD2-CE 3.89Å; F248-M345 HydrophobicContact CD2-CG 4.41Å; F248-M345 HydrophobicContact CE2-CE 4.32Å; F248-M345 HydrophobicContact CG-CE 4.27Å
249D96.7Very high97.9Very high2 Ų217.4 Ų17.41%0.0118%0.082CC..SBendtrans-79.1-4.5168.366-1.8000112.9T77 K108 D245 D247T77-D249 HydrophobicContact CG2-CB 4.17Å; T77-D249 WeakPolarHBondContact CG2-OD2 2.99Å; K108-D249 IonicContact NZ-OD1 3.94Å; K108-D249 IonicContact NZ-OD2 2.75Å; K108-D249 PolarHBondContact NZ-OD2 3.46Å; D245-D249 PolarHBondContact OD1-N 3.04Å; D247-D249 PolarHBondContact O-N 3.14Å; D247-D249 VanDerWaalsContact O-N 3.08Å
250R96.5Very high97.8Very high6 Ų616 Ų162%0.0237%0.073CC..  trans-119.1134.1170-61.9-177.5-65.6152.16.9111.9H99 L221 F244 D245 F248 F252 S330 A331 H332H99-R250 VanDerWaalsContact CG-NH2 3.29Å; H99-R250 PolarHBondContact ND1-NH2 3.36Å; L221-R250 VanDerWaalsContact CD1-NH1 3.33Å; F244-R250 WeakPolarHBondContact CA-O 3.03Å; F244-R250 WeakPolarHBondContact CD1-O 3.47Å; D245-R250 PolarHBondContact N-O 3.17Å; D245-R250 PolarHBondContact OD1-N 3.49Å; D245-R250 IonicContact OD2-CZ 3.6Å; D245-R250 IonicContact OD2-NE 2.62Å; D245-R250 PolarHBondContact OD2-NE 3.23Å; D245-R250 IonicContact OD2-NH2 3.8Å; D245-R250 PolarHBondContact OD2-NH2 3.28Å; F248-R250 PolarHBondContact O-N 2.87Å; R250-F252 HydrophobicContact CB-CE2 3.79Å; R250-F252 HydrophobicContact CB-CZ 3.76Å; R250-S330 VanDerWaalsContact CD-O 3.3Å; R250-S330 WeakPolarHBondContact CD-O 3.48Å; R250-A331 WeakPolarHBondContact CA-O 3.41Å; R250-A331 HydrophobicContact CB-CB 4.27Å; R250-H332 WeakPolarHBondContact CD-NE2 3.23Å; R250-H332 WeakPolarHBondContact CG-CD2 3.28Å; R250-H332 WeakPolarHBondContact CG-NE2 3.35Å
251C97.2Very high97.7Very high3 Ų316 Ų162%0.027%0.073CC..EExtended strand (participates in β ladder)trans-122.2134.9174.1670000112.3A243 F244 A331 G344 P347A243-C251 CarbonylContact O-C 3.6Å; A243-C251 WeakPolarHBondContact O-CA 3.45Å; F244-C251 HydrophobicContact CD1-CB 4.03Å; F244-C251 HydrophobicContact CE1-CB 3.8Å; C251-A331 VanDerWaalsContact O-CB 3.31Å; C251-A331 WeakPolarHBondContact O-CB 3.46Å; C251-G344 WeakPolarHBondContact CB-O 3.32Å; C251-P347 WeakPolarHBondContact SG-CB 3.46Å; C251-P347 VanDerWaalsContact SG-CG 3.52Å
252F98.1Very high97.5Very high4 Ų417.4 Ų17.42%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-116.7125.5-175.2-57.4-80.5000109.3P220 L221 I242 A243 D245 R250 F254 F260 A331P220-F252 HydrophobicContact CB-CB 3.9Å; P220-F252 HydrophobicContact CB-CD1 4.37Å; P220-F252 HydrophobicContact CB-CD2 3.52Å; P220-F252 HydrophobicContact CB-CE2 4.14Å; P220-F252 HydrophobicContact CB-CG 3.64Å; P220-F252 HydrophobicContact CG-CD2 3.47Å; P220-F252 VanDerWaalsContact CG-CD2 3.47Å; P220-F252 HydrophobicContact CG-CE2 3.93Å; P220-F252 HydrophobicContact CG-CG 4.13Å; L221-F252 HydrophobicContact CB-CE1 4.48Å; L221-F252 HydrophobicContact CD1-CE1 4.42Å; L221-F252 HydrophobicContact CD2-CD1 4.13Å; L221-F252 HydrophobicContact CD2-CE1 3.44Å; L221-F252 VanDerWaalsContact CD2-CE1 3.44Å; L221-F252 HydrophobicContact CD2-CZ 4.32Å; L221-F252 HydrophobicContact CG-CD1 4.41Å; L221-F252 HydrophobicContact CG-CE1 3.45Å; L221-F252 VanDerWaalsContact CG-CE1 3.45Å; L221-F252 HydrophobicContact CG-CZ 3.84Å; I242-F252 CarbonylContact C-O 3.57Å; I242-F252 WeakPolarHBondContact CA-O 3.46Å; A243-F252 HydrophobicContact CB-CB 4.35Å; A243-F252 PolarHBondContact N-O 2.82Å; A243-F252 WeakPolarHBondContact O-CD2 3.41Å; A243-F252 PolarHBondContact O-N 2.95Å; D245-F252 HydrophobicContact CB-CE2 4.42Å; R250-F252 HydrophobicContact CB-CE2 3.79Å; R250-F252 HydrophobicContact CB-CZ 3.76Å; F252-F254 HydrophobicContact CB-CE2 4.41Å; F252-F260 HydrophobicContact CB-CE2 4Å; F252-F260 AromaticContact CD1-CE2 3.9Å; F252-F260 HydrophobicContact CD1-CE2 3.9Å; F252-F260 HydrophobicContact CD1-CZ 4.26Å; F252-F260 HydrophobicContact CG-CE2 4.34Å; F252-A331 HydrophobicContact CD1-CB 3.8Å; F252-A331 HydrophobicContact CE1-CB 3.46Å; F252-A331 VanDerWaalsContact CE1-CB 3.46Å; F252-A331 HydrophobicContact CZ-CB 4.02Å
253L98.5Very high97.4Very high3 Ų317.7 Ų17.72%0.0168%0.083CC..EExtended strand (participates in β ladder)trans-104.2141.8-173.4-57.5-177.6000111.6M240 G241 I242 I261 I266 W348 V351 L362M240-L253 HydrophobicContact SD-CD2 4.13Å; G241-L253 CarbonylContact O-C 3.6Å; G241-L253 WeakPolarHBondContact O-CA 3.3Å; I242-L253 HydrophobicContact CB-CD2 4.44Å; I242-L253 HydrophobicContact CG1-CD2 3.85Å; I242-L253 HydrophobicContact CG2-CD2 4.31Å; L253-I261 PolarHBondContact O-N 2.89Å; L253-I266 HydrophobicContact CB-CD1 4.41Å; L253-I266 HydrophobicContact CD1-CD1 3.82Å; L253-I266 HydrophobicContact CD1-CG1 4.11Å; L253-I266 HydrophobicContact CD1-CG2 4.07Å; L253-W348 HydrophobicContact CD2-CB 4Å; L253-V351 HydrophobicContact CD1-CB 4.26Å; L253-V351 HydrophobicContact CD1-CG1 4.2Å; L253-V351 HydrophobicContact CD1-CG2 3.86Å; L253-L362 HydrophobicContact CB-CD2 3.84Å; L253-L362 HydrophobicContact CD1-CD2 4.45Å
254F98.7Very high97.3Very high2 Ų217.8 Ų17.81%0.0098%0.083CC..EExtended strand (participates in β ladder)trans-122.6134.3176.2-63.2-105.1000108.5R226 T229 R230 M240 G241 A243 F252 Q259 F260R226-F254 HydrophobicContact CB-CE1 3.88Å; R226-F254 HydrophobicContact CB-CZ 3.95Å; R226-F254 HydrophobicContact CG-CE1 4.26Å; R226-F254 HydrophobicContact CG-CZ 4.03Å; T229-F254 HydrophobicContact CG2-CD2 3.47Å; T229-F254 VanDerWaalsContact CG2-CD2 3.47Å; T229-F254 HydrophobicContact CG2-CE2 3.6Å; T229-F254 HydrophobicContact CG2-CG 4Å; T229-F254 HydrophobicContact CG2-CZ 4.19Å; R230-F254 HydrophobicContact CB-CD1 4.44Å; R230-F254 HydrophobicContact CB-CE1 4.46Å; M240-F254 CarbonylContact C-O 3.55Å; M240-F254 VanDerWaalsContact CA-O 3.31Å; M240-F254 WeakPolarHBondContact CA-O 3.48Å; G241-F254 PolarHBondContact N-O 3.34Å; G241-F254 PolarHBondContact O-N 2.88Å; A243-F254 HydrophobicContact CB-CE2 4.02Å; F252-F254 HydrophobicContact CB-CE2 4.41Å; F254-Q259 CarbonylContact C-O 3.54Å; F254-Q259 WeakPolarHBondContact CA-O 3.14Å; F254-F260 HydrophobicContact CD1-CB 4.13Å; F254-F260 HydrophobicContact CE1-CB 3.88Å; F254-F260 HydrophobicContact CE1-CD2 4.2Å; F254-F260 HydrophobicContact CE2-CD2 4.32Å; F254-F260 HydrophobicContact CZ-CB 4.48Å; F254-F260 AromaticContact CZ-CD2 3.94Å; F254-F260 HydrophobicContact CZ-CD2 3.94Å
255D98.7Very high97.3Very high12 Ų1218.4 Ų18.46%0.0649%0.086CC..  trans-71.9178.917774.96.4000112.6V233 K257 G258 Q259 I261 L362V233-D255 WeakPolarHBondContact CG1-O 3.48Å; D255-K257 PolarHBondContact O-N 3.41Å; D255-K257 WeakPolarHBondContact OD1-CA 3.48Å; D255-K257 WeakPolarHBondContact OD1-CB 3.47Å; D255-K257 PolarHBondContact OD1-N 3.06Å; D255-G258 PolarHBondContact O-N 3Å; D255-G258 PolarHBondContact OD1-N 2.93Å; D255-G258 VanDerWaalsContact OD1-N 3.12Å; D255-Q259 PolarHBondContact N-O 3.16Å; D255-Q259 WeakPolarHBondContact OD1-CB 3.46Å; D255-Q259 PolarHBondContact OD1-N 3.4Å; D255-Q259 WeakPolarHBondContact OD2-CB 3.43Å; D255-I261 HydrophobicContact CB-CD1 4.06Å; D255-I261 HydrophobicContact CB-CG1 4.34Å; D255-L362 HydrophobicContact CB-CB 4.47Å
256E98.5Very high97.4Very high46 Ų4618.6 Ų18.622%0.2159%0.087CC..THydrogen-bonded Turntrans-63-13.5-179.377.3-68.5165.200113.8T361 G363E256-T361 HydrophobicContact CG-CG2 4.06Å; E256-T361 PolarHBondContact OE1-OG1 3.39Å; E256-T361 WeakPolarHBondContact OE2-CB 3.47Å; E256-T361 PolarHBondContact OE2-OG1 3.42Å; E256-G363 PolarHBondContact OE2-N 2.7Å
257K98.5Very high97.5Very high123 Ų12318.7 Ų18.754%0.5359%0.088SC..THydrogen-bonded Turntrans-100.76.5177.2-62.3170.1-173.5161.90111.9D255 Q259D255-K257 PolarHBondContact O-N 3.41Å; D255-K257 WeakPolarHBondContact OD1-CA 3.48Å; D255-K257 WeakPolarHBondContact OD1-CB 3.47Å; D255-K257 PolarHBondContact OD1-N 3.06Å; K257-Q259 HydrophobicContact CB-CG 4.27Å; K257-Q259 PolarHBondContact O-N 3.12Å
258G98.1Very high97.5Very high1 Ų118.8 Ų18.81%0.019%0.089CC..  trans69.219.1-176.100000113.5R230 D255R230-G258 WeakPolarHBondContact CB-O 3.34Å; R230-G258 WeakPolarHBondContact CD-O 3.27Å; R230-G258 WeakPolarHBondContact CG-O 3.32Å; D255-G258 PolarHBondContact O-N 3Å; D255-G258 PolarHBondContact OD1-N 2.93Å; D255-G258 VanDerWaalsContact OD1-N 3.12Å
259Q97.3Very high97.6Very high97 Ų9719.3 Ų19.345%0.4539%0.091SC..PPolyproline II helixtrans-78.9130.5172.5-57.3-59.2-59.600109.6F254 D255 K257 I261F254-Q259 CarbonylContact C-O 3.54Å; F254-Q259 WeakPolarHBondContact CA-O 3.14Å; D255-Q259 PolarHBondContact N-O 3.16Å; D255-Q259 WeakPolarHBondContact OD1-CB 3.46Å; D255-Q259 PolarHBondContact OD1-N 3.4Å; D255-Q259 WeakPolarHBondContact OD2-CB 3.43Å; K257-Q259 HydrophobicContact CB-CG 4.27Å; K257-Q259 PolarHBondContact O-N 3.12Å; Q259-I261 PolarHBondContact O-N 3.28Å
260F97.1Very high97.6Very high32 Ų3219.2 Ų19.214%0.149%0.091CC..EExtended strand (participates in β ladder)trans-65.9127.6171.4172.8-94000110L221 R226 F252 F254L221-F260 HydrophobicContact CD2-CZ 4.49Å; R226-F260 VanDerWaalsContact CZ-CD1 3.47Å; R226-F260 VanDerWaalsContact NH1-CD1 3.27Å; F252-F260 HydrophobicContact CB-CE2 4Å; F252-F260 AromaticContact CD1-CE2 3.9Å; F252-F260 HydrophobicContact CD1-CE2 3.9Å; F252-F260 HydrophobicContact CD1-CZ 4.26Å; F252-F260 HydrophobicContact CG-CE2 4.34Å; F254-F260 HydrophobicContact CD1-CB 4.13Å; F254-F260 HydrophobicContact CE1-CB 3.88Å; F254-F260 HydrophobicContact CE1-CD2 4.2Å; F254-F260 HydrophobicContact CE2-CD2 4.32Å; F254-F260 HydrophobicContact CZ-CB 4.48Å; F254-F260 AromaticContact CZ-CD2 3.94Å; F254-F260 HydrophobicContact CZ-CD2 3.94Å
261I97.2Very high97.7Very high3 Ų319 Ų192%0.0159%0.09CC..EExtended strand (participates in β ladder)trans-94.8118175.1-54.3-51.6000108.7L253 D255 Q259 G263 Y265 I266 L362 V366 M370L253-I261 PolarHBondContact O-N 2.89Å; D255-I261 HydrophobicContact CB-CD1 4.06Å; D255-I261 HydrophobicContact CB-CG1 4.34Å; Q259-I261 PolarHBondContact O-N 3.28Å; I261-G263 PolarHBondContact O-N 2.92Å; I261-Y265 HydrophobicContact CG2-CD2 4.49Å; I261-I266 HydrophobicContact CB-CD1 4.18Å; I261-I266 HydrophobicContact CG2-CD1 3.53Å; I261-I266 HydrophobicContact CG2-CG1 4.02Å; I261-L362 HydrophobicContact CG1-CD2 4.11Å; I261-L362 HydrophobicContact CG1-CG 4.29Å; I261-V366 HydrophobicContact CD1-CG2 3.98Å; I261-V366 HydrophobicContact CG1-CG2 4.44Å; I261-V366 HydrophobicContact CG2-CB 4.49Å; I261-V366 HydrophobicContact CG2-CG1 4.27Å; I261-V366 HydrophobicContact CG2-CG2 4.06Å; I261-M370 HydrophobicContact CD1-SD 4.44Å
262E95Very high97.7Very high29 Ų2922.9 Ų22.914%0.13611%0.108CC..PPolyproline II helixtrans-55.8132.2176.8-17164.7-123.800110.1Y264 Y265 M329 G377E262-Y264 PolarHBondContact O-N 3.26Å; E262-Y265 HydrophobicContact CB-CD2 3.8Å; E262-Y265 HydrophobicContact CB-CE2 3.76Å; E262-Y265 PolarHBondContact O-N 3.17Å; E262-M329 WeakPolarHBondContact OE1-CE 3.37Å; E262-G377 WeakPolarHBondContact OE2-CA 3.31Å
263G95.1Very high97.6Very high7 Ų723.8 Ų23.87%0.07212%0.116CC..Hα-helixtrans-56.2-25.6-174.900000112.7I261 Y265 I266 V267 M329I261-G263 PolarHBondContact O-N 2.92Å; G263-Y265 VanDerWaalsContact C-N 3.3Å; G263-Y265 PolarHBondContact O-N 2.75Å; G263-I266 PolarHBondContact O-N 3.17Å; G263-I266 VanDerWaalsContact O-N 3.13Å; G263-V267 WeakPolarHBondContact O-CG2 3.45Å; G263-V267 PolarHBondContact O-N 3.28Å; G263-M329 WeakPolarHBondContact CA-O 3.36Å
264Y97Very high97.5Very high2 Ų224.9 Ų24.91%0.00812%0.121CC..Hα-helixtrans-48.7-45.4170.5-179.9-145.7000114.5E262 V267 L289 S290 W291 N292 F373 A375 E435E262-Y264 PolarHBondContact O-N 3.26Å; Y264-V267 PolarHBondContact O-N 3.18Å; Y264-L289 HydrophobicContact CD1-CB 3.82Å; Y264-L289 HydrophobicContact CD1-CD1 3.77Å; Y264-L289 HydrophobicContact CD1-CG 4.34Å; Y264-L289 HydrophobicContact CD2-CB 3.59Å; Y264-L289 HydrophobicContact CE1-CB 3.81Å; Y264-L289 HydrophobicContact CE1-CD1 4.37Å; Y264-L289 HydrophobicContact CE2-CB 3.62Å; Y264-L289 VanDerWaalsContact CE2-O 3.31Å; Y264-L289 WeakPolarHBondContact CE2-O 3.4Å; Y264-L289 HydrophobicContact CG-CB 3.67Å; Y264-L289 HydrophobicContact CG-CD1 3.85Å; Y264-L289 HydrophobicContact CG-CG 4.41Å; Y264-S290 PolarHBondContact OH-N 2.88Å; Y264-W291 PolarHBondContact OH-N 2.86Å; Y264-N292 HydrophobicContact CE1-CB 3.76Å; Y264-N292 HydrophobicContact CE2-CB 3.67Å; Y264-N292 VanDerWaalsContact OH-CB 3.26Å; Y264-N292 WeakPolarHBondContact OH-CB 3.14Å; Y264-N292 PolarHBondContact OH-N 3.08Å; Y264-F373 HydrophobicContact CE1-CB 4.47Å; Y264-A375 HydrophobicContact CD1-CB 4.17Å; Y264-A375 HydrophobicContact CE1-CB 4.43Å; Y264-E435 PolarHBondContact OH-OE2 3.42Å
265Y98.2Very high97.5Very high14 Ų1425 Ų256%0.05512%0.121CC..Hα-helixtrans-78.1-29.7-178.8-52.8-68.8000111.8I261 E262 G263 V267 G268 L269 R369 M370 F373 A375I261-Y265 HydrophobicContact CG2-CD2 4.49Å; E262-Y265 HydrophobicContact CB-CD2 3.8Å; E262-Y265 HydrophobicContact CB-CE2 3.76Å; E262-Y265 PolarHBondContact O-N 3.17Å; G263-Y265 VanDerWaalsContact C-N 3.3Å; G263-Y265 PolarHBondContact O-N 2.75Å; Y265-V267 VanDerWaalsContact C-N 3.32Å; Y265-G268 PolarHBondContact O-N 2.91Å; Y265-L269 WeakPolarHBondContact O-CB 3.47Å; Y265-L269 PolarHBondContact O-N 2.83Å; Y265-R369 HydrophobicContact CD1-CB 4.2Å; Y265-M370 HydrophobicContact CD1-CG 3.97Å; Y265-M370 HydrophobicContact CD2-CG 3.69Å; Y265-M370 HydrophobicContact CD2-SD 4.49Å; Y265-M370 HydrophobicContact CE1-CB 4.27Å; Y265-M370 HydrophobicContact CE1-CG 3.89Å; Y265-M370 HydrophobicContact CE2-CB 4.46Å; Y265-M370 HydrophobicContact CE2-CG 3.6Å; Y265-M370 HydrophobicContact CG-CG 3.87Å; Y265-F373 PolarHBondContact OH-O 3.29Å; Y265-A375 PolarHBondContact OH-N 2.83Å
266I98.2Very high97.3Very high4 Ų429.5 Ų29.52%0.02114%0.142CC..Hα-helixtrans-66.6-35.7173.8-54.4-50.6000110.8L253 I261 G263 G268 L269 L270 L362 V366L253-I266 HydrophobicContact CB-CD1 4.41Å; L253-I266 HydrophobicContact CD1-CD1 3.82Å; L253-I266 HydrophobicContact CD1-CG1 4.11Å; L253-I266 HydrophobicContact CD1-CG2 4.07Å; I261-I266 HydrophobicContact CB-CD1 4.18Å; I261-I266 HydrophobicContact CG2-CD1 3.53Å; I261-I266 HydrophobicContact CG2-CG1 4.02Å; G263-I266 PolarHBondContact O-N 3.17Å; G263-I266 VanDerWaalsContact O-N 3.13Å; I266-G268 PolarHBondContact O-N 2.8Å; I266-L269 HydrophobicContact CD1-CD2 4.48Å; I266-L269 PolarHBondContact O-N 2.96Å; I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.2Å; I266-L270 WeakPolarHBondContact O-CB 3.47Å; I266-L270 WeakPolarHBondContact O-CG 3.2Å; I266-L270 PolarHBondContact O-N 2.92Å; I266-L362 HydrophobicContact CD1-CD1 4.27Å; I266-V366 HydrophobicContact CD1-CG1 4.47Å
267V98Very high97Very high3 Ų333.7 Ų33.72%0.01816%0.159CC..Hα-helixtrans-58-47.9173.2174.40000111.3G263 Y264 Y265 A271 T293 Y325G263-V267 WeakPolarHBondContact O-CG2 3.45Å; G263-V267 PolarHBondContact O-N 3.28Å; Y264-V267 PolarHBondContact O-N 3.18Å; Y265-V267 VanDerWaalsContact C-N 3.32Å; V267-A271 WeakPolarHBondContact O-CB 3.2Å; V267-A271 PolarHBondContact O-N 3.32Å; V267-T293 HydrophobicContact CG1-CG2 3.78Å; V267-Y325 WeakPolarHBondContact CA-OH 3.47Å; V267-Y325 HydrophobicContact CG1-CE1 4.31Å
268G98Very high96.9Very high2 Ų230.6 Ų30.62%0.02115%0.149CC..Hα-helixtrans-62.3-47.2176.100000112.5Y265 I266 L270 A271 E272 V296Y265-G268 PolarHBondContact O-N 2.91Å; I266-G268 PolarHBondContact O-N 2.8Å; G268-L270 PolarHBondContact O-N 3.26Å; G268-A271 WeakPolarHBondContact O-CB 3.37Å; G268-A271 PolarHBondContact O-N 3.04Å; G268-E272 PolarHBondContact O-N 3.36Å; G268-V296 WeakPolarHBondContact O-CG1 3.43Å
269L98.2Very high96.7Very high10 Ų1035.8 Ų35.85%0.05218%0.182CC..Hα-helixtrans-58.2-48.4-179.1-177.163.9000112.5Y265 I266 A273 V351 L354 L362 L365 V366Y265-L269 WeakPolarHBondContact O-CB 3.47Å; Y265-L269 PolarHBondContact O-N 2.83Å; I266-L269 HydrophobicContact CD1-CD2 4.48Å; I266-L269 PolarHBondContact O-N 2.96Å; L269-A273 PolarHBondContact O-N 2.77Å; L269-V351 HydrophobicContact CD2-CG2 4.22Å; L269-L354 HydrophobicContact CD1-CD2 3.52Å; L269-L354 HydrophobicContact CD2-CD2 4.26Å; L269-L354 HydrophobicContact CG-CD2 3.76Å; L269-L362 HydrophobicContact CD2-CD1 3.96Å; L269-L365 HydrophobicContact CD1-CB 4.02Å; L269-L365 HydrophobicContact CD1-CD1 4.45Å; L269-L365 HydrophobicContact CD2-CB 4.49Å; L269-V366 HydrophobicContact CD2-CG1 4.23Å
270L98.2Very high96.7Very high1 Ų133.5 Ų33.51%0.00518%0.184CC..Hα-helixtrans-67.8-40.4177.8-69.6174.9000111.3I266 G268 E272 A273 F274 Y325 P347 L350 V351I266-L270 HydrophobicContact CG2-CD1 3.91Å; I266-L270 HydrophobicContact CG2-CG 4.2Å; I266-L270 WeakPolarHBondContact O-CB 3.47Å; I266-L270 WeakPolarHBondContact O-CG 3.2Å; I266-L270 PolarHBondContact O-N 2.92Å; G268-L270 PolarHBondContact O-N 3.26Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.08Å; L270-A273 PolarHBondContact O-N 3.34Å; L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.44Å; L270-F274 PolarHBondContact O-N 3.41Å; L270-Y325 HydrophobicContact CB-CE1 4.05Å; L270-Y325 HydrophobicContact CB-CE2 4.24Å; L270-Y325 HydrophobicContact CD1-CE2 4.22Å; L270-P347 HydrophobicContact CD1-CB 3.99Å; L270-L350 HydrophobicContact CD2-CB 3.87Å; L270-L350 HydrophobicContact CD2-CD1 4.08Å; L270-V351 HydrophobicContact CD2-CG2 4.06Å
271A98.2Very high96.7Very high0 Ų032.9 Ų32.90%019%0.186CC..Hα-helixtrans-58.5-45.5177.700000112.1V267 G268 F274 L275 I283 V297 Y325V267-A271 WeakPolarHBondContact O-CB 3.2Å; V267-A271 PolarHBondContact O-N 3.32Å; G268-A271 WeakPolarHBondContact O-CB 3.37Å; G268-A271 PolarHBondContact O-N 3.04Å; A271-F274 PolarHBondContact O-N 3.04Å; A271-L275 WeakPolarHBondContact O-CB 3.34Å; A271-L275 VanDerWaalsContact O-CG 3.26Å; A271-L275 WeakPolarHBondContact O-CG 3.3Å; A271-L275 PolarHBondContact O-N 2.98Å; A271-I283 HydrophobicContact CB-CD1 4.27Å; A271-I283 HydrophobicContact CB-CG1 4.15Å; A271-I283 HydrophobicContact CB-CG2 3.78Å; A271-V297 HydrophobicContact CB-CG2 3.8Å; A271-Y325 HydrophobicContact CB-CD1 4.1Å; A271-Y325 HydrophobicContact CB-CE1 4.1Å
272E97Very high96.8Very high86 Ų8636 Ų3640%0.40220%0.199SC..Hα-helixtrans-57.9-49174.4-173175.1-14300111.2G268 L270 F274 L275 E276 V296G268-E272 PolarHBondContact O-N 3.36Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.08Å; E272-F274 VanDerWaalsContact C-N 3.3Å; E272-F274 PolarHBondContact O-N 2.77Å; E272-L275 PolarHBondContact O-N 3.44Å; E272-E276 PolarHBondContact O-N 2.63Å; E272-V296 HydrophobicContact CB-CG1 3.73Å; E272-V296 HydrophobicContact CG-CG1 4.42Å
273A96Very high97Very high23 Ų2334.6 Ų34.619%0.1919%0.192CC..Hα-helixtrans-60.3-36.9179.700000113.1L269 L270 L354L269-A273 PolarHBondContact O-N 2.77Å; L270-A273 PolarHBondContact O-N 3.34Å; A273-L354 HydrophobicContact CB-CD2 4.42Å
274F96.9Very high97.1Very high26 Ų2634.2 Ų34.211%0.11419%0.189CC..Hα-helixtrans-69.3-39173.7-85.7-75.7000112.6L270 A271 E272 K277 N278 I324 Y325 F335 L350L270-F274 VanDerWaalsContact O-CD2 3.24Å; L270-F274 WeakPolarHBondContact O-CD2 3.44Å; L270-F274 PolarHBondContact O-N 3.41Å; A271-F274 PolarHBondContact O-N 3.04Å; E272-F274 VanDerWaalsContact C-N 3.3Å; E272-F274 PolarHBondContact O-N 2.77Å; F274-K277 PolarHBondContact O-N 2.76Å; F274-N278 WeakPolarHBondContact O-CB 3.28Å; F274-N278 PolarHBondContact O-N 2.58Å; F274-N278 PolarHBondContact O-ND2 3.09Å; F274-I324 HydrophobicContact CB-CG2 4.1Å; F274-I324 HydrophobicContact CD1-CG1 3.64Å; F274-I324 HydrophobicContact CE1-CG1 4.26Å; F274-I324 HydrophobicContact CG-CG1 4.35Å; F274-Y325 HydrophobicContact CD2-CD1 4.49Å; F274-Y325 HydrophobicContact CD2-CD2 4.26Å; F274-Y325 AromaticContact CD2-CG 3.94Å; F274-Y325 HydrophobicContact CD2-CG 3.94Å; F274-Y325 HydrophobicContact CE2-CD2 4.1Å; F274-Y325 HydrophobicContact CE2-CG 4.23Å; F274-F335 AromaticContact CE2-CD1 3.87Å; F274-F335 HydrophobicContact CE2-CD1 3.87Å; F274-F335 AromaticContact CE2-CE1 3.69Å; F274-F335 HydrophobicContact CE2-CE1 3.69Å; F274-F335 AromaticContact CZ-CD1 3.55Å; F274-F335 HydrophobicContact CZ-CD1 3.55Å; F274-F335 AromaticContact CZ-CE1 3.75Å; F274-F335 HydrophobicContact CZ-CE1 3.75Å; F274-L350 HydrophobicContact CE2-CD1 3.78Å; F274-L350 HydrophobicContact CZ-CD1 3.81Å
275L97.7Very high97.2Very high4 Ų434.4 Ų34.42%0.02119%0.19CC..Hα-helixtrans-72.1-31-179.2-71.9167.8000112.9A271 E272 K277 N278 A281 I283 V297 A300 G302A271-L275 WeakPolarHBondContact O-CB 3.34Å; A271-L275 VanDerWaalsContact O-CG 3.26Å; A271-L275 WeakPolarHBondContact O-CG 3.3Å; A271-L275 PolarHBondContact O-N 2.98Å; E272-L275 PolarHBondContact O-N 3.44Å; L275-K277 PolarHBondContact O-N 3.29Å; L275-N278 CarbonylContact O-C 3.59Å; L275-N278 VanDerWaalsContact O-C 3.3Å; L275-N278 PolarHBondContact O-N 2.6Å; L275-A281 HydrophobicContact CD2-CB 4.01Å; L275-A281 WeakPolarHBondContact CD2-O 3.06Å; L275-I283 HydrophobicContact CD1-CG1 4.06Å; L275-I283 HydrophobicContact CD2-CG1 4.41Å; L275-I283 HydrophobicContact CG-CD1 4.31Å; L275-I283 HydrophobicContact CG-CG1 4.27Å; L275-V297 HydrophobicContact CD1-CB 4.29Å; L275-V297 HydrophobicContact CD1-CG1 4.01Å; L275-V297 HydrophobicContact CD1-CG2 4.36Å; L275-A300 HydrophobicContact CB-CB 3.89Å; L275-A300 HydrophobicContact CD1-CB 3.71Å; L275-A300 HydrophobicContact CG-CB 4.45Å; L275-G302 VanDerWaalsContact CD2-CA 3.45Å
276E94.2Very high97.1Very high106 Ų10633.9 Ų33.950%0.49519%0.188SC..Hα-helixtrans-56.5-36.4170.2-75.3-173.5173.100111.6E272 K358E272-E276 PolarHBondContact O-N 2.63Å; E276-K358 IonicContact OE1-NZ 3.17Å; E276-K358 PolarHBondContact OE1-NZ 3.01Å; E276-K358 IonicContact OE2-NZ 2.7Å; E276-K358 PolarHBondContact OE2-NZ 3.41Å
277K92.5Very high97Very high134 Ų13433.7 Ų33.758%0.58319%0.187SC*.Hα-helixtrans-91.6-24.2179.1-61.7178.2-175.4175.10113.1F274 L275 E353F274-K277 PolarHBondContact O-N 2.76Å; L275-K277 PolarHBondContact O-N 3.29Å; K277-E353 IonicContact NZ-OE2 3.18Å
278N95.8Very high96.9Very high58 Ų5833.7 Ų33.731%0.3119%0.186SC..SBendtrans-134.172.3-175.3-56.7-91.4000111.3F274 L275 G280 A281F274-N278 WeakPolarHBondContact O-CB 3.28Å; F274-N278 PolarHBondContact O-N 2.58Å; F274-N278 PolarHBondContact O-ND2 3.09Å; L275-N278 CarbonylContact O-C 3.59Å; L275-N278 VanDerWaalsContact O-C 3.3Å; L275-N278 PolarHBondContact O-N 2.6Å; N278-G280 PolarHBondContact O-N 3.07Å; N278-A281 HydrophobicContact CB-CB 4Å; N278-A281 VanDerWaalsContact O-CB 3.25Å; N278-A281 WeakPolarHBondContact O-CB 3.41Å; N278-A281 PolarHBondContact O-N 3.18Å
279P94.6Very high96.9Very high111 Ų11133.7 Ų33.772%0.72119%0.186SC*.THydrogen-bonded Turntrans-56138.8-179.9-25.334.7000112.1A281P279-A281 VanDerWaalsContact C-N 3.26Å; P279-A281 PolarHBondContact O-N 3.48Å
280G97.1Very high96.8Very high48 Ų4833.6 Ų33.650%0.49519%0.186SC..THydrogen-bonded Turntrans79.1-1.9-179.900000115.4N278 G301N278-G280 PolarHBondContact O-N 3.07Å; G280-G301 VanDerWaalsContact CA-O 3.25Å; G280-G301 WeakPolarHBondContact CA-O 3.11Å; G280-G301 PolarHBondContact N-O 3.44Å
281A98.2Very high96.8Very high20 Ų2034.9 Ų34.917%0.16519%0.191CC..  trans-64.5155.1178.300000112.3L275 N278 P279 G302 T303 I324L275-A281 HydrophobicContact CD2-CB 4.01Å; L275-A281 WeakPolarHBondContact CD2-O 3.06Å; N278-A281 HydrophobicContact CB-CB 4Å; N278-A281 VanDerWaalsContact O-CB 3.25Å; N278-A281 WeakPolarHBondContact O-CB 3.41Å; N278-A281 PolarHBondContact O-N 3.18Å; P279-A281 VanDerWaalsContact C-N 3.26Å; P279-A281 PolarHBondContact O-N 3.48Å; A281-G302 VanDerWaalsContact O-CA 3.32Å; A281-G302 WeakPolarHBondContact O-CA 3.36Å; A281-T303 PolarHBondContact O-N 3.27Å; A281-I324 HydrophobicContact CB-CB 4.14Å; A281-I324 HydrophobicContact CB-CG2 3.64Å
282K98.7Very high96.8Very high67 Ų6734.9 Ų34.929%0.29119%0.191SC..EExtended strand (participates in β ladder)trans-87.9143.3174.4-64.3175.4-167.8162.20110.7T303 V305 E321 A323 I324K282-T303 WeakPolarHBondContact CA-O 3.04Å; K282-T303 HydrophobicContact CG-CG2 4.42Å; K282-V305 HydrophobicContact CB-CG2 4.27Å; K282-V305 HydrophobicContact CD-CG2 4.27Å; K282-V305 HydrophobicContact CG-CG2 4.35Å; K282-E321 HydrophobicContact CD-CB 3.86Å; K282-E321 WeakPolarHBondContact CD-O 3.33Å; K282-E321 PolarHBondContact NZ-O 3.17Å; K282-E321 IonicContact NZ-OE2 2.6Å; K282-E321 PolarHBondContact NZ-OE2 2.93Å; K282-A323 HydrophobicContact CB-CB 4.12Å; K282-A323 WeakPolarHBondContact O-CA 2.91Å; K282-A323 WeakPolarHBondContact O-CB 3.48Å; K282-I324 PolarHBondContact O-N 3.35Å
283I98.7Very high96.9Very high0 Ų030.9 Ų30.90%017%0.172CC..EExtended strand (participates in β ladder)trans-123.3121.6177.2-56-63.6000108.7A271 L275 V297 T303 V305 I324 Y325A271-I283 HydrophobicContact CB-CD1 4.27Å; A271-I283 HydrophobicContact CB-CG1 4.15Å; A271-I283 HydrophobicContact CB-CG2 3.78Å; L275-I283 HydrophobicContact CD1-CG1 4.06Å; L275-I283 HydrophobicContact CD2-CG1 4.41Å; L275-I283 HydrophobicContact CG-CD1 4.31Å; L275-I283 HydrophobicContact CG-CG1 4.27Å; I283-V297 HydrophobicContact CB-CG1 4.07Å; I283-V297 HydrophobicContact CB-CG2 3.79Å; I283-V297 HydrophobicContact CG1-CG1 3.94Å; I283-V297 HydrophobicContact CG1-CG2 3.87Å; I283-V297 HydrophobicContact CG2-CG2 3.89Å; I283-T303 PolarHBondContact N-O 3.14Å; I283-V305 PolarHBondContact O-N 3.28Å; I283-I324 HydrophobicContact CD1-CG2 3.62Å; I283-Y325 WeakPolarHBondContact CA-O 3.46Å; I283-Y325 HydrophobicContact CD1-CD1 4.13Å; I283-Y325 HydrophobicContact CG2-CD1 3.86Å; I283-Y325 HydrophobicContact CG2-CE1 4.34Å
284I98.5Very high97Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-83.7136.5175.6-51.9-50.6000109.8V305 I314 R317 M318 E321 A323 Y325 G326 G327I284-V305 WeakPolarHBondContact CA-O 3.4Å; I284-V305 HydrophobicContact CD1-CB 3.6Å; I284-V305 HydrophobicContact CD1-CG1 3.85Å; I284-V305 HydrophobicContact CD1-CG2 4.36Å; I284-I314 HydrophobicContact CG2-CD1 3.85Å; I284-I314 HydrophobicContact CG2-CG2 4.12Å; I284-R317 HydrophobicContact CD1-CG 3.78Å; I284-R317 HydrophobicContact CG1-CG 4.32Å; I284-R317 HydrophobicContact CG2-CB 4.41Å; I284-R317 HydrophobicContact CG2-CG 4.23Å; I284-M318 HydrophobicContact CB-CG 3.98Å; I284-M318 HydrophobicContact CG1-CB 4.17Å; I284-M318 HydrophobicContact CG1-CG 3.35Å; I284-E321 HydrophobicContact CD1-CB 4.3Å; I284-E321 HydrophobicContact CD1-CG 4.36Å; I284-A323 HydrophobicContact CD1-CB 3.75Å; I284-A323 HydrophobicContact CG1-CB 3.59Å; I284-Y325 PolarHBondContact N-O 3.45Å; I284-G326 CarbonylContact O-C 3.49Å; I284-G326 VanDerWaalsContact O-CA 3.27Å; I284-G326 WeakPolarHBondContact O-CA 3.43Å; I284-G327 PolarHBondContact O-N 2.93Å
285H97.9Very high97.1Very high5 Ų534.1 Ų34.12%0.02319%0.19CC..EExtended strand (participates in β ladder)trans-140.8161.9172.170.286.1000111T293 V305 M306 S307 G327H285-T293 HydrophobicContact CB-CG2 3.73Å; H285-V305 PolarHBondContact N-O 3.25Å; H285-M306 CarbonylContact O-C 3.5Å; H285-M306 WeakPolarHBondContact O-CA 3.41Å; H285-S307 PolarHBondContact O-N 3.24Å; H285-G327 WeakPolarHBondContact CA-O 3.35Å
286D96Very high97.1Very high3 Ų334.4 Ų34.42%0.01619%0.191CC..  trans-97170.5178.281.3-41.2000112.3R288 S307 T309 I314 E328 M329D286-R288 IonicContact OD2-CZ 2.76Å; D286-R288 IonicContact OD2-NE 3.89Å; D286-R288 PolarHBondContact OD2-NE 3.39Å; D286-R288 IonicContact OD2-NH2 3.03Å; D286-R288 PolarHBondContact OD2-NH2 2.97Å; D286-S307 WeakPolarHBondContact CA-O 3.3Å; D286-T309 PolarHBondContact OD2-OG1 3.31Å; D286-I314 HydrophobicContact CB-CD1 4.49Å; D286-E328 HydrophobicContact CB-CG 4.33Å; D286-M329 PolarHBondContact OD1-N 3.42Å
287P96.4Very high97.3Very high0 Ų029.3 Ų29.30%017%0.168CC..SBendtrans-92.3-3.1-166.735.2-32.2000113.6M306 S307 D408 R418P287-M306 HydrophobicContact CB-CE 4.36Å; P287-M306 HydrophobicContact CB-CG 4.23Å; P287-M306 HydrophobicContact CB-SD 3.82Å; P287-S307 WeakPolarHBondContact CD-O 3.35Å; P287-D408 HydrophobicContact CG-CB 3.64Å; P287-R418 PolarHBondContact O-NH2 3.05Å
288R96.8Very high97.6Very high3 Ų326.9 Ų26.91%0.01116%0.164CC..SBendtrans-64-55.4-173.4-71.6-179.1-69.8-171.9-14.1112D286 M329 S330 E378 R418 N433D286-R288 IonicContact OD2-CZ 2.76Å; D286-R288 IonicContact OD2-NE 3.89Å; D286-R288 PolarHBondContact OD2-NE 3.39Å; D286-R288 IonicContact OD2-NH2 3.03Å; D286-R288 PolarHBondContact OD2-NH2 2.97Å; R288-M329 HydrophobicContact CB-CG 4.07Å; R288-M329 HydrophobicContact CB-SD 3.43Å; R288-M329 WeakPolarHBondContact CB-SD 3.24Å; R288-M329 HydrophobicContact CG-SD 4.33Å; R288-S330 PolarHBondContact NH1-OG 2.91Å; R288-S330 PolarHBondContact NH2-OG 3.43Å; R288-E378 IonicContact CZ-OE1 2.64Å; R288-E378 IonicContact NH1-OE1 3.75Å; R288-E378 PolarHBondContact NH1-OE1 3.28Å; R288-R418 PolarHBondContact O-NH1 3.28Å; R288-N433 HydrophobicContact CB-CB 4.33Å
289L97.3Very high97.7Very high2 Ų228.2 Ų28.21%0.0118%0.183CC..SBendtrans-130.9124.4172.2-64.7174000106.9Y264 M329 A375 N433 E435Y264-L289 HydrophobicContact CD1-CB 3.82Å; Y264-L289 HydrophobicContact CD1-CD1 3.77Å; Y264-L289 HydrophobicContact CD1-CG 4.34Å; Y264-L289 HydrophobicContact CD2-CB 3.59Å; Y264-L289 HydrophobicContact CE1-CB 3.81Å; Y264-L289 HydrophobicContact CE1-CD1 4.37Å; Y264-L289 HydrophobicContact CE2-CB 3.62Å; Y264-L289 VanDerWaalsContact CE2-O 3.31Å; Y264-L289 WeakPolarHBondContact CE2-O 3.4Å; Y264-L289 HydrophobicContact CG-CB 3.67Å; Y264-L289 HydrophobicContact CG-CD1 3.85Å; Y264-L289 HydrophobicContact CG-CG 4.41Å; L289-M329 HydrophobicContact CB-SD 4.21Å; L289-M329 HydrophobicContact CD1-CE 3.55Å; L289-M329 HydrophobicContact CD1-SD 3.62Å; L289-M329 HydrophobicContact CG-CE 4.28Å; L289-M329 HydrophobicContact CG-SD 3.7Å; L289-A375 HydrophobicContact CD1-CB 3.72Å; L289-A375 HydrophobicContact CD2-CB 3.96Å; L289-N433 HydrophobicContact CD2-CB 3.98Å; L289-N433 HydrophobicContact CG-CB 4.09Å; L289-E435 HydrophobicContact CD2-CB 3.88Å; L289-E435 HydrophobicContact CD2-CG 4.1Å
290S96.8Very high97.8Very high8 Ų824.4 Ų24.46%0.05616%0.161CC..  trans-136.5-30.7-163.162.10000115.5Y264 N292 T293 V294 E435Y264-S290 PolarHBondContact OH-N 2.88Å; S290-N292 PolarHBondContact O-N 3.25Å; S290-T293 PolarHBondContact O-N 2.99Å; S290-V294 WeakPolarHBondContact O-CB 3.46Å; S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.42Å; S290-V294 PolarHBondContact O-N 3.01Å; S290-E435 PolarHBondContact N-OE1 3.21Å
291W98.2Very high97.8Very high28 Ų2824.4 Ų24.411%0.10616%0.161CC..Hα-helixtrans-62.9-45.5-171.4-74.8-17.9000114.5Y264 T293 V294 D295 F373 T413 R418 E435 R437Y264-W291 PolarHBondContact OH-N 2.86Å; W291-T293 PolarHBondContact O-N 3.32Å; W291-V294 PolarHBondContact O-N 3.37Å; W291-D295 WeakPolarHBondContact O-CB 3.34Å; W291-D295 PolarHBondContact O-N 3.45Å; W291-F373 HydrophobicContact CB-CD1 3.59Å; W291-F373 HydrophobicContact CB-CE1 3.58Å; W291-F373 HydrophobicContact CB-CG 4.45Å; W291-F373 HydrophobicContact CB-CZ 4.43Å; W291-F373 HydrophobicContact CE3-CD1 4.28Å; W291-F373 HydrophobicContact CE3-CE1 4.47Å; W291-F373 HydrophobicContact CG-CE1 4.43Å; W291-T413 HydrophobicContact CZ2-CG2 3.81Å; W291-R418 HydrophobicContact CD2-CG 4.19Å; W291-R418 HydrophobicContact CE3-CG 4.28Å; W291-R418 HydrophobicContact CH2-CB 4.23Å; W291-R418 HydrophobicContact CH2-CG 4.1Å; W291-R418 HydrophobicContact CZ2-CB 4.16Å; W291-R418 HydrophobicContact CZ2-CG 3.99Å; W291-R418 HydrophobicContact CZ3-CG 4.21Å; W291-E435 HydrophobicContact CE3-CG 4.11Å; W291-E435 PolarHBondContact N-OE1 3.12Å; W291-E435 PolarHBondContact N-OE2 3.44Å; W291-R437 HydrophobicContact CE3-CG 3.84Å; W291-R437 HydrophobicContact CH2-CG 4.03Å; W291-R437 HydrophobicContact CZ3-CG 3.46Å; W291-R437 VanDerWaalsContact CZ3-CG 3.46Å
292N98.6Very high97.8Very high1 Ų123.9 Ų23.91%0.00516%0.158CC..Hα-helixtrans-54.9-50.6173.3175.153000111.2Y264 S290 D295 V296 R369 F373Y264-N292 HydrophobicContact CE1-CB 3.76Å; Y264-N292 HydrophobicContact CE2-CB 3.67Å; Y264-N292 VanDerWaalsContact OH-CB 3.26Å; Y264-N292 WeakPolarHBondContact OH-CB 3.14Å; Y264-N292 PolarHBondContact OH-N 3.08Å; S290-N292 PolarHBondContact O-N 3.25Å; N292-D295 PolarHBondContact O-N 2.91Å; N292-V296 WeakPolarHBondContact O-CB 3.43Å; N292-V296 VanDerWaalsContact O-CG2 3.32Å; N292-V296 WeakPolarHBondContact O-CG2 3.48Å; N292-V296 PolarHBondContact O-N 2.68Å; N292-R369 PolarHBondContact O-NH2 3.16Å; N292-R369 WeakPolarHBondContact OD1-CB 3.16Å; N292-R369 VanDerWaalsContact OD1-CZ 3.3Å; N292-R369 PolarHBondContact OD1-NE 3.33Å; N292-R369 PolarHBondContact OD1-NH2 2.69Å; N292-F373 HydrophobicContact CB-CB 4.04Å; N292-F373 HydrophobicContact CB-CD2 3.86Å; N292-F373 HydrophobicContact CB-CG 4.06Å
293T98.3Very high97.8Very high1 Ų124 Ų241%0.00616%0.164CC..Hα-helixtrans-65.1-44.6-177.3-58.20000110.9V267 H285 S290 W291 D295 V297V267-T293 HydrophobicContact CG1-CG2 3.78Å; H285-T293 HydrophobicContact CB-CG2 3.73Å; S290-T293 PolarHBondContact O-N 2.99Å; W291-T293 PolarHBondContact O-N 3.32Å; T293-D295 VanDerWaalsContact C-N 3.33Å; T293-D295 PolarHBondContact O-N 3.26Å; T293-V297 HydrophobicContact CG2-CG2 4.15Å; T293-V297 VanDerWaalsContact O-CB 3.26Å; T293-V297 WeakPolarHBondContact O-CB 3.34Å; T293-V297 WeakPolarHBondContact O-CG2 3.2Å; T293-V297 PolarHBondContact O-N 2.78Å
294V98.4Very high97.8Very high51 Ų5125.6 Ų25.631%0.30918%0.175SC..Hα-helixtrans-60.6-44.7176.2170.70000111S290 W291 T298 P304S290-V294 WeakPolarHBondContact O-CB 3.46Å; S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.42Å; S290-V294 PolarHBondContact O-N 3.01Å; W291-V294 PolarHBondContact O-N 3.37Å; V294-T298 VanDerWaalsContact O-CB 3.24Å; V294-T298 WeakPolarHBondContact O-CB 3.5Å; V294-T298 PolarHBondContact O-N 2.82Å; V294-T298 PolarHBondContact O-OG1 2.88Å; V294-P304 HydrophobicContact CB-CG 4.39Å; V294-P304 HydrophobicContact CG1-CG 4.08Å; V294-P304 HydrophobicContact CG2-CB 4.13Å; V294-P304 HydrophobicContact CG2-CG 4.32Å
295D98.6Very high97.8Very high67 Ų6726.4 Ų26.436%0.35818%0.179SC..Hα-helixtrans-64.7-50.5-179.7-176.981.6000111.7W291 N292 T293 V297 T298 A299 R369 F373W291-D295 WeakPolarHBondContact O-CB 3.34Å; W291-D295 PolarHBondContact O-N 3.45Å; N292-D295 PolarHBondContact O-N 2.91Å; T293-D295 VanDerWaalsContact C-N 3.33Å; T293-D295 PolarHBondContact O-N 3.26Å; D295-V297 PolarHBondContact O-N 3Å; D295-T298 PolarHBondContact O-N 3.49Å; D295-A299 VanDerWaalsContact O-CB 3.24Å; D295-A299 WeakPolarHBondContact O-CB 3.42Å; D295-A299 PolarHBondContact O-N 2.86Å; D295-R369 IonicContact OD2-CZ 3.22Å; D295-R369 IonicContact OD2-NH1 2.8Å; D295-R369 PolarHBondContact OD2-NH1 3.05Å; D295-R369 IonicContact OD2-NH2 2.83Å; D295-R369 PolarHBondContact OD2-NH2 3.33Å; D295-F373 HydrophobicContact CB-CE2 4.06Å; D295-F373 HydrophobicContact CB-CZ 4.04Å
296V98.2Very high97.8Very high9 Ų929.5 Ų29.56%0.05520%0.195CC..Hα-helixtrans-59.8-49.5177.4172.30000111.2G268 E272 N292 T298 A299 A300 R369G268-V296 WeakPolarHBondContact O-CG1 3.43Å; E272-V296 HydrophobicContact CB-CG1 3.73Å; E272-V296 HydrophobicContact CG-CG1 4.42Å; N292-V296 WeakPolarHBondContact O-CB 3.43Å; N292-V296 VanDerWaalsContact O-CG2 3.32Å; N292-V296 WeakPolarHBondContact O-CG2 3.48Å; N292-V296 PolarHBondContact O-N 2.68Å; V296-T298 VanDerWaalsContact C-N 3.34Å; V296-T298 PolarHBondContact O-N 2.97Å; V296-A299 PolarHBondContact O-N 3.26Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.83Å; V296-R369 VanDerWaalsContact CG2-CZ 3.48Å
297V98.6Very high97.8Very high0 Ų029.9 Ų29.90%020%0.197CC..Hα-helixtrans-63-43.2-177.11720000111A271 L275 I283 T293 D295 A300 G301 G302 P304A271-V297 HydrophobicContact CB-CG2 3.8Å; L275-V297 HydrophobicContact CD1-CB 4.29Å; L275-V297 HydrophobicContact CD1-CG1 4.01Å; L275-V297 HydrophobicContact CD1-CG2 4.36Å; I283-V297 HydrophobicContact CB-CG1 4.07Å; I283-V297 HydrophobicContact CB-CG2 3.79Å; I283-V297 HydrophobicContact CG1-CG1 3.94Å; I283-V297 HydrophobicContact CG1-CG2 3.87Å; I283-V297 HydrophobicContact CG2-CG2 3.89Å; T293-V297 HydrophobicContact CG2-CG2 4.15Å; T293-V297 VanDerWaalsContact O-CB 3.26Å; T293-V297 WeakPolarHBondContact O-CB 3.34Å; T293-V297 WeakPolarHBondContact O-CG2 3.2Å; T293-V297 PolarHBondContact O-N 2.78Å; D295-V297 PolarHBondContact O-N 3Å; V297-A300 PolarHBondContact O-N 3.47Å; V297-G301 PolarHBondContact O-N 3.11Å; V297-G302 WeakPolarHBondContact O-CA 3.31Å; V297-G302 PolarHBondContact O-N 3.21Å; V297-P304 HydrophobicContact CB-CB 4.09Å; V297-P304 HydrophobicContact CB-CG 4.46Å; V297-P304 HydrophobicContact CG1-CB 3.9Å; V297-P304 HydrophobicContact CG1-CG 4.21Å; V297-P304 VanDerWaalsContact CG1-N 3.34Å
298T98.1Very high97.6Very high82 Ų8233.3 Ų33.350%0.50321%0.212SC..Hα-helixtrans-66.9-44179-54.80000111.1V294 D295 V296 A300 G301V294-T298 VanDerWaalsContact O-CB 3.24Å; V294-T298 WeakPolarHBondContact O-CB 3.5Å; V294-T298 PolarHBondContact O-N 2.82Å; V294-T298 PolarHBondContact O-OG1 2.88Å; D295-T298 PolarHBondContact O-N 3.49Å; V296-T298 VanDerWaalsContact C-N 3.34Å; V296-T298 PolarHBondContact O-N 2.97Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.48Å; T298-G301 PolarHBondContact O-N 2.8Å
299A97.6Very high97.3Very high86 Ų8633.6 Ų33.671%0.71122%0.215SC*.Hα-helixtrans-63.5-35.3178.600000112.5D295 V296 G301D295-A299 VanDerWaalsContact O-CB 3.24Å; D295-A299 WeakPolarHBondContact O-CB 3.42Å; D295-A299 PolarHBondContact O-N 2.86Å; V296-A299 PolarHBondContact O-N 3.26Å; A299-G301 PolarHBondContact O-N 3.04Å
300A97.5Very high96.7Very high31 Ų3134 Ų3426%0.25622%0.219SC..THydrogen-bonded Turntrans-79.76.5174.500000113.7L275 V296 V297 T298 G302L275-A300 HydrophobicContact CB-CB 3.89Å; L275-A300 HydrophobicContact CD1-CB 3.71Å; L275-A300 HydrophobicContact CG-CB 4.45Å; V296-A300 WeakPolarHBondContact O-CB 3.46Å; V296-A300 PolarHBondContact O-N 2.83Å; V297-A300 PolarHBondContact O-N 3.47Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.48Å; A300-G302 VanDerWaalsContact C-N 3.32Å; A300-G302 PolarHBondContact O-N 2.8Å
301G97.5Very high96.1Very high48 Ų4834.8 Ų34.850%0.49522%0.222SC..THydrogen-bonded Turntrans75.516.4176.800000114.7G280 V297 T298 A299G280-G301 VanDerWaalsContact CA-O 3.25Å; G280-G301 WeakPolarHBondContact CA-O 3.11Å; G280-G301 PolarHBondContact N-O 3.44Å; V297-G301 PolarHBondContact O-N 3.11Å; T298-G301 PolarHBondContact O-N 2.8Å; A299-G301 PolarHBondContact O-N 3.04Å
302G98.3Very high95.5Very high10 Ų1033.7 Ų33.710%0.10322%0.218CC..  trans-89-178.3173.100000113.2L275 A281 V297 A300L275-G302 VanDerWaalsContact CD2-CA 3.45Å; A281-G302 VanDerWaalsContact O-CA 3.32Å; A281-G302 WeakPolarHBondContact O-CA 3.36Å; V297-G302 WeakPolarHBondContact O-CA 3.31Å; V297-G302 PolarHBondContact O-N 3.21Å; A300-G302 VanDerWaalsContact C-N 3.32Å; A300-G302 PolarHBondContact O-N 2.8Å
303T98.6Very high95Very high68 Ų6836 Ų3642%0.41723%0.229SC..EExtended strand (participates in β ladder)trans-118.7112.8173.3-60.60000110.4A281 K282 I283 V305A281-T303 PolarHBondContact O-N 3.27Å; K282-T303 WeakPolarHBondContact CA-O 3.04Å; K282-T303 HydrophobicContact CG-CG2 4.42Å; I283-T303 PolarHBondContact N-O 3.14Å; T303-V305 HydrophobicContact CG2-CG2 4.12Å
304P98.4Very high94.8Very high35 Ų3536 Ų3623%0.22723%0.228CC..EExtended strand (participates in β ladder)trans-76.1131.5174.829.7-29000109.5V294 V297V294-P304 HydrophobicContact CB-CG 4.39Å; V294-P304 HydrophobicContact CG1-CG 4.08Å; V294-P304 HydrophobicContact CG2-CB 4.13Å; V294-P304 HydrophobicContact CG2-CG 4.32Å; V297-P304 HydrophobicContact CB-CB 4.09Å; V297-P304 HydrophobicContact CB-CG 4.46Å; V297-P304 HydrophobicContact CG1-CB 3.9Å; V297-P304 HydrophobicContact CG1-CG 4.21Å; V297-P304 VanDerWaalsContact CG1-N 3.34Å
305V98.4Very high94.6Very high16 Ų1633.6 Ų33.610%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-125.7112.4179.4-178.70000109.4K282 I283 I284 H285 T303 R317 E321K282-V305 HydrophobicContact CB-CG2 4.27Å; K282-V305 HydrophobicContact CD-CG2 4.27Å; K282-V305 HydrophobicContact CG-CG2 4.35Å; I283-V305 PolarHBondContact O-N 3.28Å; I284-V305 WeakPolarHBondContact CA-O 3.4Å; I284-V305 HydrophobicContact CD1-CB 3.6Å; I284-V305 HydrophobicContact CD1-CG1 3.85Å; I284-V305 HydrophobicContact CD1-CG2 4.36Å; H285-V305 PolarHBondContact N-O 3.25Å; T303-V305 HydrophobicContact CG2-CG2 4.12Å; V305-R317 HydrophobicContact CG1-CG 4.4Å; V305-R317 VanDerWaalsContact CG1-NE 3.33Å; V305-R317 VanDerWaalsContact CG1-NH2 3.27Å; V305-E321 HydrophobicContact CG1-CG 4.3Å
306M97.4Very high94.3Very high71 Ų7135.5 Ų35.535%0.3522%0.22SC..EExtended strand (participates in β ladder)trans-69.1142.7176.4-170-179.3-70.900111.4H285 P287H285-M306 CarbonylContact O-C 3.5Å; H285-M306 WeakPolarHBondContact O-CA 3.41Å; P287-M306 HydrophobicContact CB-CE 4.36Å; P287-M306 HydrophobicContact CB-CG 4.23Å; P287-M306 HydrophobicContact CB-SD 3.82Å
307S95.8Very high94.1Very high10 Ų1038.5 Ų38.57%0.0723%0.231CC..  trans-139.7155.9171.1-177.80000110H285 D286 P287 F313H285-S307 PolarHBondContact O-N 3.24Å; D286-S307 WeakPolarHBondContact CA-O 3.3Å; P287-S307 WeakPolarHBondContact CD-O 3.35Å; S307-F313 PolarHBondContact OG-O 2.88Å
308K92.3Very high94.1Very high72 Ų7238.5 Ų38.531%0.31323%0.231SC..  trans-60.3144.5170.6-178.1165.5-177.8-178.80110.9F313 D408K308-F313 HydrophobicContact CB-CB 4.35Å; K308-F313 HydrophobicContact CB-CD2 3.88Å; K308-F313 HydrophobicContact CB-CE2 4.4Å; K308-F313 HydrophobicContact CB-CG 4.21Å; K308-F313 HydrophobicContact CD-CD2 3.85Å; K308-F313 HydrophobicContact CD-CE2 3.51Å; K308-F313 HydrophobicContact CD-CZ 4.17Å; K308-F313 HydrophobicContact CG-CD2 3.68Å; K308-F313 HydrophobicContact CG-CE2 3.87Å; K308-F313 HydrophobicContact CG-CG 4.48Å; K308-F313 WeakPolarHBondContact O-CB 3.34Å; K308-D408 VanDerWaalsContact CE-OD1 3.25Å; K308-D408 WeakPolarHBondContact CE-OD1 3.37Å; K308-D408 HydrophobicContact CG-CB 3.92Å
309T89.8Confident94Very high10 Ų1036.3 Ų36.36%0.06121%0.213CC..SBendtrans-65.2137175.9-57.50000111.1Y10 D286 E328 D408Y10-T309 PolarHBondContact OH-O 3.07Å; D286-T309 PolarHBondContact OD2-OG1 3.31Å; T309-E328 WeakPolarHBondContact CG2-OE1 3.23Å; T309-D408 WeakPolarHBondContact CB-OD2 3.29Å; T309-D408 PolarHBondContact N-OD2 3.49Å; T309-D408 PolarHBondContact OG1-OD2 2.97Å
310G84.8Confident93.9Very high9 Ų939.8 Ų39.89%0.09321%0.212CC..SBendtrans131.7132.7177.900000111.4A312 F313 I314 E328G310-A312 PolarHBondContact O-N 3.09Å; G310-F313 PolarHBondContact O-N 3.3Å; G310-I314 PolarHBondContact O-N 2.9Å; G310-I314 VanDerWaalsContact O-N 3.09Å; G310-E328 PolarHBondContact N-OE1 2.92Å
311H85.5Confident94Very high26 Ų2640 Ų4012%0.1221%0.208CC..Hα-helixtrans-49.4-39.6-175.275.986.1000113.7Y10 K315 Y334Y10-H311 VanDerWaalsContact CB-NE2 3.28Å; Y10-H311 WeakPolarHBondContact CB-NE2 3.25Å; Y10-H311 PolarHBondContact O-NE2 3.14Å; H311-K315 WeakPolarHBondContact O-CB 3.49Å; H311-K315 WeakPolarHBondContact O-CG 3.47Å; H311-K315 PolarHBondContact O-N 3.42Å; H311-Y334 VanDerWaalsContact CA-OH 3.24Å; H311-Y334 WeakPolarHBondContact CA-OH 3.28Å; H311-Y334 HydrophobicContact CB-CE1 4.17Å; H311-Y334 VanDerWaalsContact CB-OH 3.31Å; H311-Y334 WeakPolarHBondContact CB-OH 3.29Å
312A84.8Confident94Very high4 Ų442 Ų423%0.03321%0.207CC..Hα-helixtrans-62.4-47.917900000112.8Y10 P116 S118 G310 K315 E316Y10-A312 HydrophobicContact CD1-CB 3.86Å; Y10-A312 HydrophobicContact CE1-CB 4.49Å; Y10-A312 HydrophobicContact CG-CB 4.36Å; P116-A312 HydrophobicContact CB-CB 4.22Å; P116-A312 HydrophobicContact CG-CB 4.3Å; S118-A312 WeakPolarHBondContact OG-CB 3.4Å; G310-A312 PolarHBondContact O-N 3.09Å; A312-K315 PolarHBondContact O-N 3.43Å; A312-E316 WeakPolarHBondContact O-CB 3.49Å; A312-E316 PolarHBondContact O-N 2.88Å
313F89Confident94Very high51 Ų5141.5 Ų41.522%0.22420%0.202CC..Hα-helixtrans-68.1-41-178.8-64.9-49.6000111.6Y10 S307 K308 G310 E316 R317Y10-F313 AromaticContact CE1-CD2 3.91Å; Y10-F313 HydrophobicContact CE1-CD2 3.91Å; Y10-F313 AromaticContact CE1-CE2 3.44Å; Y10-F313 HydrophobicContact CE1-CE2 3.44Å; Y10-F313 VanDerWaalsContact CE1-CE2 3.44Å; Y10-F313 AromaticContact CE1-CZ 3.85Å; Y10-F313 HydrophobicContact CE1-CZ 3.85Å; Y10-F313 AromaticContact CZ-CD2 3.92Å; Y10-F313 AromaticContact CZ-CE2 3.58Å; Y10-F313 WeakPolarHBondContact OH-CD2 3.39Å; Y10-F313 WeakPolarHBondContact OH-CE2 3.43Å; S307-F313 PolarHBondContact OG-O 2.88Å; K308-F313 HydrophobicContact CB-CB 4.35Å; K308-F313 HydrophobicContact CB-CD2 3.88Å; K308-F313 HydrophobicContact CB-CE2 4.4Å; K308-F313 HydrophobicContact CB-CG 4.21Å; K308-F313 HydrophobicContact CD-CD2 3.85Å; K308-F313 HydrophobicContact CD-CE2 3.51Å; K308-F313 HydrophobicContact CD-CZ 4.17Å; K308-F313 HydrophobicContact CG-CD2 3.68Å; K308-F313 HydrophobicContact CG-CE2 3.87Å; K308-F313 HydrophobicContact CG-CG 4.48Å; K308-F313 WeakPolarHBondContact O-CB 3.34Å; G310-F313 PolarHBondContact O-N 3.3Å; F313-E316 PolarHBondContact O-N 3.46Å; F313-R317 WeakPolarHBondContact O-CB 3.11Å; F313-R317 PolarHBondContact O-N 2.86Å
314I93.9Very high94Very high0 Ų038.5 Ų38.50%018%0.184CC..Hα-helixtrans-63.5-49.6176.3-57.5-67.7000110.4I284 D286 G310 E316 R317 M318 E328 Y334I284-I314 HydrophobicContact CG2-CD1 3.85Å; I284-I314 HydrophobicContact CG2-CG2 4.12Å; D286-I314 HydrophobicContact CB-CD1 4.49Å; G310-I314 PolarHBondContact O-N 2.9Å; G310-I314 VanDerWaalsContact O-N 3.09Å; I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 PolarHBondContact O-N 3.37Å; I314-R317 PolarHBondContact O-N 2.87Å; I314-M318 HydrophobicContact CG2-CG 4.26Å; I314-M318 HydrophobicContact CG2-SD 4.22Å; I314-M318 WeakPolarHBondContact O-CG 3.42Å; I314-M318 PolarHBondContact O-N 3.4Å; I314-E328 HydrophobicContact CD1-CG 4.19Å; I314-E328 HydrophobicContact CG1-CG 3.94Å; I314-Y334 HydrophobicContact CB-CD2 4.19Å; I314-Y334 HydrophobicContact CB-CE2 3.91Å; I314-Y334 HydrophobicContact CG1-CE2 4.18Å; I314-Y334 HydrophobicContact CG2-CD1 4.32Å; I314-Y334 HydrophobicContact CG2-CD2 3.33Å; I314-Y334 HydrophobicContact CG2-CE2 3.54Å; I314-Y334 HydrophobicContact CG2-CG 3.77Å
315K93.7Very high94Very high0 Ų036.8 Ų36.80%017%0.173CC..Hα-helixtrans-58.4-40.8178.1-76.2176.5-169.5-172.50112.8Y81 P116 H311 A312 R319 Y334 Y340 D342Y81-K315 VanDerWaalsContact CE2-NZ 3.26Å; Y81-K315 PolarHBondContact OH-NZ 3.18Å; P116-K315 HydrophobicContact CB-CD 4.43Å; P116-K315 HydrophobicContact CG-CB 4.03Å; P116-K315 HydrophobicContact CG-CD 4.19Å; H311-K315 WeakPolarHBondContact O-CB 3.49Å; H311-K315 WeakPolarHBondContact O-CG 3.47Å; H311-K315 PolarHBondContact O-N 3.42Å; A312-K315 PolarHBondContact O-N 3.43Å; K315-R319 WeakPolarHBondContact O-CG 3.47Å; K315-R319 PolarHBondContact O-N 3.47Å; K315-R319 PolarHBondContact O-NH1 3.45Å; K315-Y334 HydrophobicContact CD-CE1 4.45Å; K315-Y334 HydrophobicContact CG-CD1 3.93Å; K315-Y334 HydrophobicContact CG-CE1 3.99Å; K315-Y340 WeakPolarHBondContact CG-O 3.21Å; K315-D342 WeakPolarHBondContact CE-OD1 3.43Å; K315-D342 IonicContact NZ-OD1 2.72Å; K315-D342 PolarHBondContact NZ-OD1 3.48Å
316E91.6Very high94Very high107 Ų10736 Ų3650%0.517%0.168SC..Hα-helixtrans-69.4-46.6176.6-173.1-176.317900111.1A312 F313 I314 M318 R319 K320A312-E316 WeakPolarHBondContact O-CB 3.49Å; A312-E316 PolarHBondContact O-N 2.88Å; F313-E316 PolarHBondContact O-N 3.46Å; I314-E316 VanDerWaalsContact C-N 3.32Å; I314-E316 PolarHBondContact O-N 3.37Å; E316-M318 PolarHBondContact O-N 2.84Å; E316-R319 PolarHBondContact O-N 3.33Å; E316-K320 PolarHBondContact O-N 3.46Å
317R95.3Very high94Very high72 Ų7232.7 Ų32.727%0.27215%0.152SC..Hα-helixtrans-61.5-45180-171.672175.915415.1111.5I284 V305 F313 I314 R319 K320 E321I284-R317 HydrophobicContact CD1-CG 3.78Å; I284-R317 HydrophobicContact CG1-CG 4.32Å; I284-R317 HydrophobicContact CG2-CB 4.41Å; I284-R317 HydrophobicContact CG2-CG 4.23Å; V305-R317 HydrophobicContact CG1-CG 4.4Å; V305-R317 VanDerWaalsContact CG1-NE 3.33Å; V305-R317 VanDerWaalsContact CG1-NH2 3.27Å; F313-R317 WeakPolarHBondContact O-CB 3.11Å; F313-R317 PolarHBondContact O-N 2.86Å; I314-R317 PolarHBondContact O-N 2.87Å; R317-R319 VanDerWaalsContact C-N 3.32Å; R317-R319 PolarHBondContact O-N 3.36Å; R317-K320 PolarHBondContact O-N 3.09Å; R317-E321 HydrophobicContact CG-CG 4.3Å; R317-E321 IonicContact CZ-OE1 2.84Å; R317-E321 IonicContact NE-OE1 3.47Å; R317-E321 IonicContact NH1-OE1 2.61Å; R317-E321 PolarHBondContact NH1-OE1 2.95Å; R317-E321 IonicContact NH2-OE1 3.42Å; R317-E321 PolarHBondContact NH2-OE1 3.46Å; R317-E321 WeakPolarHBondContact O-CB 3.47Å; R317-E321 WeakPolarHBondContact O-CG 3.49Å; R317-E321 PolarHBondContact O-N 3.37Å
318M97.9Very high94Very high0 Ų032.3 Ų32.30%015%0.149CC..Hα-helixtrans-60.3-43177.8-69.7-17770.300111.8I284 I314 E316 E321 D322 A323 Y325 Y334 Y340I284-M318 HydrophobicContact CB-CG 3.98Å; I284-M318 HydrophobicContact CG1-CB 4.17Å; I284-M318 HydrophobicContact CG1-CG 3.35Å; I314-M318 HydrophobicContact CG2-CG 4.26Å; I314-M318 HydrophobicContact CG2-SD 4.22Å; I314-M318 WeakPolarHBondContact O-CG 3.42Å; I314-M318 PolarHBondContact O-N 3.4Å; E316-M318 PolarHBondContact O-N 2.84Å; M318-E321 PolarHBondContact O-N 3.03Å; M318-D322 WeakPolarHBondContact O-CA 3.47Å; M318-D322 PolarHBondContact O-N 2.67Å; M318-A323 HydrophobicContact CB-CB 4.19Å; M318-A323 WeakPolarHBondContact CE-O 3.38Å; M318-A323 HydrophobicContact CG-CB 4.16Å; M318-A323 PolarHBondContact O-N 2.64Å; M318-Y325 VanDerWaalsContact CE-C 3.48Å; M318-Y334 WeakPolarHBondContact SD-CB 3.34Å; M318-Y334 HydrophobicContact SD-CG 4.11Å; M318-Y340 HydrophobicContact CB-CD1 3.59Å; M318-Y340 HydrophobicContact CB-CE1 4.24Å; M318-Y340 HydrophobicContact CE-CD1 4.18Å; M318-Y340 WeakPolarHBondContact O-CE1 3.19Å
319R96.1Very high93.9Very high37 Ų3729 Ų2914%0.1414%0.135CC..Hα-helixtrans-64.7-39.8177-75.4-175.4178.884.9-8.8112.5G113 A114 K315 E316 R317 E321 A339 Y340G113-R319 PolarHBondContact O-NH2 3.08Å; A114-R319 PolarHBondContact O-NH2 3.24Å; K315-R319 WeakPolarHBondContact O-CG 3.47Å; K315-R319 PolarHBondContact O-N 3.47Å; K315-R319 PolarHBondContact O-NH1 3.45Å; E316-R319 PolarHBondContact O-N 3.33Å; R317-R319 VanDerWaalsContact C-N 3.32Å; R317-R319 PolarHBondContact O-N 3.36Å; R319-E321 VanDerWaalsContact C-N 3.29Å; R319-E321 PolarHBondContact O-N 3.31Å; R319-A339 PolarHBondContact NH2-O 3.24Å; R319-Y340 HydrophobicContact CG-CD1 3.86Å; R319-Y340 HydrophobicContact CG-CD2 3.48Å; R319-Y340 VanDerWaalsContact CG-CD2 3.48Å; R319-Y340 HydrophobicContact CG-CE1 4.11Å; R319-Y340 HydrophobicContact CG-CE2 3.82Å; R319-Y340 HydrophobicContact CG-CG 3.49Å; R319-Y340 VanDerWaalsContact CG-CG 3.49Å
320K96.4Very high93.9Very high158 Ų15829.2 Ų29.269%0.68714%0.136SC*.Hα-helixtrans-64.8-36.7177.1-179.8175178.2173.20112E316 R317E316-K320 PolarHBondContact O-N 3.46Å; R317-K320 PolarHBondContact O-N 3.09Å
321E97.8Very high94.3Very high37 Ų3728.9 Ų28.917%0.17313%0.133CC..Hα-helixtrans-95-9.8-173.8-65.1-64.5166.600113.8K282 I284 V305 R317 M318 R319 A323K282-E321 HydrophobicContact CD-CB 3.86Å; K282-E321 WeakPolarHBondContact CD-O 3.33Å; K282-E321 PolarHBondContact NZ-O 3.17Å; K282-E321 IonicContact NZ-OE2 2.6Å; K282-E321 PolarHBondContact NZ-OE2 2.93Å; I284-E321 HydrophobicContact CD1-CB 4.3Å; I284-E321 HydrophobicContact CD1-CG 4.36Å; V305-E321 HydrophobicContact CG1-CG 4.3Å; R317-E321 HydrophobicContact CG-CG 4.3Å; R317-E321 IonicContact CZ-OE1 2.84Å; R317-E321 IonicContact NE-OE1 3.47Å; R317-E321 IonicContact NH1-OE1 2.61Å; R317-E321 PolarHBondContact NH1-OE1 2.95Å; R317-E321 IonicContact NH2-OE1 3.42Å; R317-E321 PolarHBondContact NH2-OE1 3.46Å; R317-E321 WeakPolarHBondContact O-CB 3.47Å; R317-E321 WeakPolarHBondContact O-CG 3.49Å; R317-E321 PolarHBondContact O-N 3.37Å; M318-E321 PolarHBondContact O-N 3.03Å; R319-E321 VanDerWaalsContact C-N 3.29Å; R319-E321 PolarHBondContact O-N 3.31Å; E321-A323 VanDerWaalsContact C-N 3.25Å
322D97.6Very high94.8Very high88 Ų8829.2 Ų29.247%0.47113%0.134SC..THydrogen-bonded Turntrans51.145.4-165.9-171.231.4000111.8M318 R336 Y340M318-D322 WeakPolarHBondContact O-CA 3.47Å; M318-D322 PolarHBondContact O-N 2.67Å; D322-R336 WeakPolarHBondContact OD1-CD 3.32Å; D322-R336 IonicContact OD1-NH1 2.63Å; D322-R336 IonicContact OD2-NH1 3.84Å; D322-Y340 PolarHBondContact OD1-OH 3.04Å; D322-Y340 VanDerWaalsContact OD1-OH 3.09Å
323A98.4Very high95.5Very high0 Ų029.1 Ų29.10%013%0.133CC..  trans-74.1134.5-179.500000110.8K282 I284 M318 E321 Y325 R336K282-A323 HydrophobicContact CB-CB 4.12Å; K282-A323 WeakPolarHBondContact O-CA 2.91Å; K282-A323 WeakPolarHBondContact O-CB 3.48Å; I284-A323 HydrophobicContact CD1-CB 3.75Å; I284-A323 HydrophobicContact CG1-CB 3.59Å; M318-A323 HydrophobicContact CB-CB 4.19Å; M318-A323 WeakPolarHBondContact CE-O 3.38Å; M318-A323 HydrophobicContact CG-CB 4.16Å; M318-A323 PolarHBondContact O-N 2.64Å; E321-A323 VanDerWaalsContact C-N 3.25Å; A323-Y325 VanDerWaalsContact C-N 3.31Å; A323-Y325 PolarHBondContact O-N 2.84Å; A323-R336 WeakPolarHBondContact O-CB 3.34Å
324I98.2Very high95.9Very high5 Ų526.7 Ų26.73%0.02612%0.122CC..SBendtrans-68-35-178.8-170.867.1000111.7F274 A281 K282 I283 R336F274-I324 HydrophobicContact CB-CG2 4.1Å; F274-I324 HydrophobicContact CD1-CG1 3.64Å; F274-I324 HydrophobicContact CE1-CG1 4.26Å; F274-I324 HydrophobicContact CG-CG1 4.35Å; A281-I324 HydrophobicContact CB-CB 4.14Å; A281-I324 HydrophobicContact CB-CG2 3.64Å; K282-I324 PolarHBondContact O-N 3.35Å; I283-I324 HydrophobicContact CD1-CG2 3.62Å; I324-R336 HydrophobicContact CD1-CB 4.42Å; I324-R336 VanDerWaalsContact CD1-CZ 3.46Å; I324-R336 WeakPolarHBondContact O-CB 3.28Å; I324-R336 PolarHBondContact O-N 3.08Å
325Y98.5Very high96.2Very high0 Ų026.7 Ų26.70%012%0.123CC..EExtended strand (participates in β ladder)trans-147.8146.1-174.4168.3-109.4000110.3V267 L270 A271 F274 I283 I284 M318 A323 H333 Y334 F335V267-Y325 WeakPolarHBondContact CA-OH 3.47Å; V267-Y325 HydrophobicContact CG1-CE1 4.31Å; L270-Y325 HydrophobicContact CB-CE1 4.05Å; L270-Y325 HydrophobicContact CB-CE2 4.24Å; L270-Y325 HydrophobicContact CD1-CE2 4.22Å; A271-Y325 HydrophobicContact CB-CD1 4.1Å; A271-Y325 HydrophobicContact CB-CE1 4.1Å; F274-Y325 HydrophobicContact CD2-CD1 4.49Å; F274-Y325 HydrophobicContact CD2-CD2 4.26Å; F274-Y325 AromaticContact CD2-CG 3.94Å; F274-Y325 HydrophobicContact CD2-CG 3.94Å; F274-Y325 HydrophobicContact CE2-CD2 4.1Å; F274-Y325 HydrophobicContact CE2-CG 4.23Å; I283-Y325 WeakPolarHBondContact CA-O 3.46Å; I283-Y325 HydrophobicContact CD1-CD1 4.13Å; I283-Y325 HydrophobicContact CG2-CD1 3.86Å; I283-Y325 HydrophobicContact CG2-CE1 4.34Å; I284-Y325 PolarHBondContact N-O 3.45Å; M318-Y325 VanDerWaalsContact CE-C 3.48Å; A323-Y325 VanDerWaalsContact C-N 3.31Å; A323-Y325 PolarHBondContact O-N 2.84Å; Y325-H333 HydrophobicContact CE2-CB 4.1Å; Y325-H333 AromaticContact CE2-ND1 3.98Å; Y325-H333 AromaticContact CZ-ND1 3.78Å; Y325-H333 PolarHBondContact OH-CE1 2.8Å; Y325-H333 PolarHBondContact OH-ND1 2.79Å; Y325-Y334 WeakPolarHBondContact CA-O 3.39Å; Y325-Y334 WeakPolarHBondContact CD2-O 3.07Å; Y325-F335 HydrophobicContact CD2-CD1 4.18Å; Y325-F335 HydrophobicContact CD2-CE1 4Å; Y325-F335 HydrophobicContact CE2-CE1 4.22Å; Y325-F335 HydrophobicContact CE2-CZ 4.44Å
326G98.3Very high96.4Very high0 Ų030.1 Ų30.10%014%0.135CC..EExtended strand (participates in β ladder)trans-133.9144.9170.600000110I284 Y334I284-G326 CarbonylContact O-C 3.49Å; I284-G326 VanDerWaalsContact O-CA 3.27Å; I284-G326 WeakPolarHBondContact O-CA 3.43Å; G326-Y334 PolarHBondContact N-O 3.08Å; G326-Y334 WeakPolarHBondContact O-CD2 3.45Å; G326-Y334 PolarHBondContact O-N 3.46Å
327G97.6Very high96.6Very high0 Ų029.5 Ų29.50%014%0.135CC..EExtended strand (participates in β ladder)trans-143.9139.7-179.300000112.7I284 H285I284-G327 PolarHBondContact O-N 2.93Å; H285-G327 WeakPolarHBondContact CA-O 3.35Å
328E95.7Very high96.7Very high2 Ų226 Ų261%0.00912%0.122CC..  trans-112.4142.7171.7-67.9-173.6125.200109.8D286 T309 G310 I314 S330 A331 H332 Y334D286-E328 HydrophobicContact CB-CG 4.33Å; T309-E328 WeakPolarHBondContact CG2-OE1 3.23Å; G310-E328 PolarHBondContact N-OE1 2.92Å; I314-E328 HydrophobicContact CD1-CG 4.19Å; I314-E328 HydrophobicContact CG1-CG 3.94Å; E328-S330 PolarHBondContact O-N 3.18Å; E328-A331 PolarHBondContact O-N 2.84Å; E328-A331 VanDerWaalsContact O-N 3.08Å; E328-H332 HydrophobicContact CB-CB 4.37Å; E328-H332 PolarHBondContact N-O 3.45Å; E328-H332 IonicContact OE2-CE1 2.71Å; E328-H332 IonicContact OE2-CG 2.7Å; E328-H332 IonicContact OE2-ND1 3.58Å; E328-H332 PolarHBondContact OE2-ND1 3.05Å; E328-Y334 HydrophobicContact CG-CE2 4.06Å; E328-Y334 PolarHBondContact OE2-OH 2.95Å
329M91.8Very high96.7Very high4 Ų427 Ų272%0.0213%0.13CC..THydrogen-bonded Turntrans-60.7-18.8178.467.4161.3-67.300114E262 G263 D286 R288 L289 A331 E378 N433E262-M329 WeakPolarHBondContact OE1-CE 3.37Å; G263-M329 WeakPolarHBondContact CA-O 3.36Å; D286-M329 PolarHBondContact OD1-N 3.42Å; R288-M329 HydrophobicContact CB-CG 4.07Å; R288-M329 HydrophobicContact CB-SD 3.43Å; R288-M329 WeakPolarHBondContact CB-SD 3.24Å; R288-M329 HydrophobicContact CG-SD 4.33Å; L289-M329 HydrophobicContact CB-SD 4.21Å; L289-M329 HydrophobicContact CD1-CE 3.55Å; L289-M329 HydrophobicContact CD1-SD 3.62Å; L289-M329 HydrophobicContact CG-CE 4.28Å; L289-M329 HydrophobicContact CG-SD 3.7Å; M329-A331 PolarHBondContact O-N 3.4Å; M329-A331 VanDerWaalsContact O-N 3.17Å; M329-E378 HydrophobicContact CE-CB 4.14Å; M329-N433 WeakPolarHBondContact CE-ND2 3.49Å; M329-N433 PolarHBondContact SD-ND2 3.01Å
330S89.4Confident96.8Very high14 Ų1427.3 Ų27.310%0.09813%0.132CC..THydrogen-bonded Turntrans-78.921.1174.650.40000114.3R250 R288 E328 H332R250-S330 VanDerWaalsContact CD-O 3.3Å; R250-S330 WeakPolarHBondContact CD-O 3.48Å; R288-S330 PolarHBondContact NH1-OG 2.91Å; R288-S330 PolarHBondContact NH2-OG 3.43Å; E328-S330 PolarHBondContact O-N 3.18Å; S330-H332 PolarHBondContact O-N 3.44Å
331A93.7Very high96.9Very high2 Ų219.8 Ų19.82%0.01710%0.099CC..SBendtrans68.222.7175.900000116.4R250 C251 F252 E328 M329R250-A331 WeakPolarHBondContact CA-O 3.41Å; R250-A331 HydrophobicContact CB-CB 4.27Å; C251-A331 VanDerWaalsContact O-CB 3.31Å; C251-A331 WeakPolarHBondContact O-CB 3.46Å; F252-A331 HydrophobicContact CD1-CB 3.8Å; F252-A331 HydrophobicContact CE1-CB 3.46Å; F252-A331 VanDerWaalsContact CE1-CB 3.46Å; F252-A331 HydrophobicContact CZ-CB 4.02Å; E328-A331 PolarHBondContact O-N 2.84Å; E328-A331 VanDerWaalsContact O-N 3.08Å; M329-A331 PolarHBondContact O-N 3.4Å; M329-A331 VanDerWaalsContact O-N 3.17Å
332H95.8Very high96.9Very high33 Ų3318.1 Ų18.115%0.1539%0.091CC..  trans-90.4129.2162.3-54.4111.4000109.7R250 E328 S330 Y334 D342R250-H332 WeakPolarHBondContact CD-NE2 3.23Å; R250-H332 WeakPolarHBondContact CG-CD2 3.28Å; R250-H332 WeakPolarHBondContact CG-NE2 3.35Å; E328-H332 HydrophobicContact CB-CB 4.37Å; E328-H332 PolarHBondContact N-O 3.45Å; E328-H332 IonicContact OE2-CE1 2.71Å; E328-H332 IonicContact OE2-CG 2.7Å; E328-H332 IonicContact OE2-ND1 3.58Å; E328-H332 PolarHBondContact OE2-ND1 3.05Å; S330-H332 PolarHBondContact O-N 3.44Å; H332-Y334 HydrophobicContact CB-CE2 3.62Å; H332-Y334 VanDerWaalsContact CB-OH 3.26Å; H332-Y334 WeakPolarHBondContact CB-OH 3.13Å; H332-D342 HydrophobicContact CB-CB 4.43Å; H332-D342 IonicContact CD2-OD2 2.72Å
333H98.4Very high96.9Very high1 Ų113.9 Ų13.91%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-127.6117.8-177.6-66.2-71.3000109Y325 F335 D342 S343 P347Y325-H333 HydrophobicContact CE2-CB 4.1Å; Y325-H333 AromaticContact CE2-ND1 3.98Å; Y325-H333 AromaticContact CZ-ND1 3.78Å; Y325-H333 PolarHBondContact OH-CE1 2.8Å; Y325-H333 PolarHBondContact OH-ND1 2.79Å; H333-F335 HydrophobicContact CB-CE2 3.87Å; H333-F335 HydrophobicContact CB-CZ 3.86Å; H333-F335 WeakPolarHBondContact O-CD2 3.47Å; H333-F335 WeakPolarHBondContact O-CE2 3.32Å; H333-D342 WeakPolarHBondContact O-CA 3.46Å; H333-S343 PolarHBondContact O-N 2.79Å; H333-P347 HydrophobicContact CB-CB 4.48Å; H333-P347 HydrophobicContact CB-CG 3.5Å
334Y98.6Very high96.9Very high0 Ų013.9 Ų13.90%07%0.069CC..EExtended strand (participates in β ladder)trans-108134.5-171-56.3-91000111H311 I314 K315 M318 Y325 G326 E328 H332 C341 D342H311-Y334 VanDerWaalsContact CA-OH 3.24Å; H311-Y334 WeakPolarHBondContact CA-OH 3.28Å; H311-Y334 HydrophobicContact CB-CE1 4.17Å; H311-Y334 VanDerWaalsContact CB-OH 3.31Å; H311-Y334 WeakPolarHBondContact CB-OH 3.29Å; I314-Y334 HydrophobicContact CB-CD2 4.19Å; I314-Y334 HydrophobicContact CB-CE2 3.91Å; I314-Y334 HydrophobicContact CG1-CE2 4.18Å; I314-Y334 HydrophobicContact CG2-CD1 4.32Å; I314-Y334 HydrophobicContact CG2-CD2 3.33Å; I314-Y334 HydrophobicContact CG2-CE2 3.54Å; I314-Y334 HydrophobicContact CG2-CG 3.77Å; K315-Y334 HydrophobicContact CD-CE1 4.45Å; K315-Y334 HydrophobicContact CG-CD1 3.93Å; K315-Y334 HydrophobicContact CG-CE1 3.99Å; M318-Y334 WeakPolarHBondContact SD-CB 3.34Å; M318-Y334 HydrophobicContact SD-CG 4.11Å; Y325-Y334 WeakPolarHBondContact CA-O 3.39Å; Y325-Y334 WeakPolarHBondContact CD2-O 3.07Å; G326-Y334 PolarHBondContact N-O 3.08Å; G326-Y334 WeakPolarHBondContact O-CD2 3.45Å; G326-Y334 PolarHBondContact O-N 3.46Å; E328-Y334 HydrophobicContact CG-CE2 4.06Å; E328-Y334 PolarHBondContact OE2-OH 2.95Å; H332-Y334 HydrophobicContact CB-CE2 3.62Å; H332-Y334 VanDerWaalsContact CB-OH 3.26Å; H332-Y334 WeakPolarHBondContact CB-OH 3.13Å; Y334-C341 VanDerWaalsContact CA-O 3.31Å; Y334-C341 WeakPolarHBondContact CA-O 3.45Å; Y334-D342 HydrophobicContact CD1-CB 3.67Å; Y334-D342 HydrophobicContact CE1-CB 3.46Å; Y334-D342 VanDerWaalsContact CE1-CB 3.46Å; Y334-D342 WeakPolarHBondContact CE1-OD2 3.28Å; Y334-D342 HydrophobicContact CG-CB 4.33Å; Y334-D342 PolarHBondContact OH-OD2 2.73Å
335F98.5Very high96.9Very high1 Ų113.7 Ų13.70%0.0047%0.067CC..EExtended strand (participates in β ladder)trans-124127.2-174-55.6-85.1000110.5Y162 F274 Y325 H333 D337 F338 Y340 C341 I346 P347 L350Y162-F335 HydrophobicContact CE1-CB 4.24Å; Y162-F335 HydrophobicContact CE1-CD1 4.37Å; Y162-F335 HydrophobicContact CE1-CG 4.41Å; F274-F335 AromaticContact CE2-CD1 3.87Å; F274-F335 HydrophobicContact CE2-CD1 3.87Å; F274-F335 AromaticContact CE2-CE1 3.69Å; F274-F335 HydrophobicContact CE2-CE1 3.69Å; F274-F335 AromaticContact CZ-CD1 3.55Å; F274-F335 HydrophobicContact CZ-CD1 3.55Å; F274-F335 AromaticContact CZ-CE1 3.75Å; F274-F335 HydrophobicContact CZ-CE1 3.75Å; Y325-F335 HydrophobicContact CD2-CD1 4.18Å; Y325-F335 HydrophobicContact CD2-CE1 4Å; Y325-F335 HydrophobicContact CE2-CE1 4.22Å; Y325-F335 HydrophobicContact CE2-CZ 4.44Å; H333-F335 HydrophobicContact CB-CE2 3.87Å; H333-F335 HydrophobicContact CB-CZ 3.86Å; H333-F335 WeakPolarHBondContact O-CD2 3.47Å; H333-F335 WeakPolarHBondContact O-CE2 3.32Å; F335-D337 VanDerWaalsContact C-N 3.25Å; F335-D337 PolarHBondContact O-N 3.17Å; F335-F338 HydrophobicContact CB-CB 3.83Å; F335-F338 CarbonylContact O-C 3.55Å; F335-F338 PolarHBondContact O-N 2.95Å; F335-Y340 WeakPolarHBondContact O-CA 3.49Å; F335-Y340 PolarHBondContact O-N 2.69Å; F335-C341 PolarHBondContact N-O 2.84Å; F335-I346 HydrophobicContact CB-CD1 4.46Å; F335-I346 HydrophobicContact CD1-CG2 3.88Å; F335-I346 HydrophobicContact CD2-CB 4.06Å; F335-I346 HydrophobicContact CD2-CD1 3.7Å; F335-I346 HydrophobicContact CD2-CG1 4.48Å; F335-I346 HydrophobicContact CD2-CG2 4.04Å; F335-I346 HydrophobicContact CE1-CB 4.33Å; F335-I346 HydrophobicContact CE1-CG2 3.47Å; F335-I346 VanDerWaalsContact CE1-CG2 3.47Å; F335-I346 HydrophobicContact CE2-CB 3.6Å; F335-I346 HydrophobicContact CE2-CD1 4.14Å; F335-I346 HydrophobicContact CE2-CG1 4.46Å; F335-I346 HydrophobicContact CE2-CG2 3.68Å; F335-I346 HydrophobicContact CG-CD1 4.07Å; F335-I346 HydrophobicContact CG-CG2 4.13Å; F335-I346 HydrophobicContact CZ-CB 3.75Å; F335-I346 HydrophobicContact CZ-CG2 3.36Å; F335-P347 HydrophobicContact CE2-CG 4.12Å; F335-P347 HydrophobicContact CZ-CG 3.86Å; F335-L350 HydrophobicContact CE1-CD1 3.75Å; F335-L350 HydrophobicContact CZ-CD1 4.36Å
336R97.9Very high96.9Very high71 Ų7113.7 Ų13.727%0.2687%0.067SC..G310 helixtrans-52.2-48178.3-178.3176.569.7-174.1-1111.8D322 A323 I324 F338 A339 Y340D322-R336 WeakPolarHBondContact OD1-CD 3.32Å; D322-R336 IonicContact OD1-NH1 2.63Å; D322-R336 IonicContact OD2-NH1 3.84Å; A323-R336 WeakPolarHBondContact O-CB 3.34Å; I324-R336 HydrophobicContact CD1-CB 4.42Å; I324-R336 VanDerWaalsContact CD1-CZ 3.46Å; I324-R336 WeakPolarHBondContact O-CB 3.28Å; I324-R336 PolarHBondContact O-N 3.08Å; R336-F338 PolarHBondContact O-N 3.39Å; R336-A339 WeakPolarHBondContact O-CA 3.35Å; R336-A339 PolarHBondContact O-N 3Å; R336-A339 VanDerWaalsContact O-N 3.13Å; R336-Y340 HydrophobicContact CB-CD1 4.38Å; R336-Y340 HydrophobicContact CB-CE1 4.21Å; R336-Y340 HydrophobicContact CG-CD1 4.22Å; R336-Y340 HydrophobicContact CG-CE1 3.65Å; R336-Y340 HydrophobicContact CG-CE2 4.19Å; R336-Y340 PolarHBondContact O-N 2.86Å; R336-Y340 VanDerWaalsContact O-N 3.12Å
337D96.9Very high96.9Very high94 Ų9413.7 Ų13.750%0.5037%0.067SC..G310 helixtrans-77.8-7-173.8-58.8-11.1000112.2H158 Y162 F335 A339H158-D337 PolarHBondContact CE1-O 3Å; H158-D337 PolarHBondContact NE2-O 2.71Å; Y162-D337 PolarHBondContact OH-O 2.88Å; F335-D337 VanDerWaalsContact C-N 3.25Å; F335-D337 PolarHBondContact O-N 3.17Å; D337-A339 VanDerWaalsContact C-N 3.28Å
338F98.2Very high97Very high0 Ų013.7 Ų13.70%07%0.067CC..G310 helixtrans-9839.9165.9-159.7-114.9000110.8E78 F82 F85 Y155 H158 Y162 F335 R336 Y340 C341 I346E78-F338 HydrophobicContact CB-CE1 3.93Å; E78-F338 HydrophobicContact CB-CZ 4.2Å; F82-F338 HydrophobicContact CB-CE2 3.96Å; F82-F338 HydrophobicContact CB-CZ 3.82Å; F82-F338 AromaticContact CD2-CE2 3.9Å; F82-F338 HydrophobicContact CD2-CE2 3.9Å; F82-F338 HydrophobicContact CG-CE2 4.35Å; F85-F338 AromaticContact CE1-CD2 3.98Å; F85-F338 HydrophobicContact CE1-CD2 3.98Å; F85-F338 HydrophobicContact CE1-CE2 4.11Å; F85-F338 HydrophobicContact CE1-CG 4.25Å; F85-F338 HydrophobicContact CE1-CZ 4.47Å; F85-F338 AromaticContact CZ-CD2 3.83Å; F85-F338 HydrophobicContact CZ-CD2 3.83Å; F85-F338 HydrophobicContact CZ-CE2 4.05Å; F85-F338 HydrophobicContact CZ-CG 4.43Å; Y155-F338 HydrophobicContact CD2-CE2 4.48Å; Y155-F338 HydrophobicContact CE2-CE2 4.17Å; Y155-F338 HydrophobicContact CE2-CZ 4.04Å; H158-F338 AromaticContact CD2-CD2 3.53Å; H158-F338 AromaticContact CD2-CE2 3.86Å; H158-F338 AromaticContact NE2-CD2 3.47Å; H158-F338 WeakPolarHBondContact NE2-CD2 3.31Å; Y162-F338 WeakPolarHBondContact OH-CB 3.22Å; Y162-F338 PolarHBondContact OH-N 2.89Å; F335-F338 HydrophobicContact CB-CB 3.83Å; F335-F338 CarbonylContact O-C 3.55Å; F335-F338 PolarHBondContact O-N 2.95Å; R336-F338 PolarHBondContact O-N 3.39Å; F338-Y340 PolarHBondContact O-N 3.14Å; F338-C341 HydrophobicContact CD1-CB 3.98Å; F338-C341 HydrophobicContact CE1-CB 4.4Å; F338-C341 WeakPolarHBondContact O-CB 3.5Å; F338-C341 PolarHBondContact O-N 2.92Å; F338-I346 HydrophobicContact CB-CD1 4.03Å; F338-I346 HydrophobicContact CD2-CD1 4.03Å; F338-I346 HydrophobicContact CG-CD1 3.96Å
339A97.6Very high97.1Very high19 Ų1913.6 Ų13.616%0.1577%0.067CC..THydrogen-bonded Turntrans51.937.2-174.900000114.2F85 R319 R336 D337 C341F85-A339 HydrophobicContact CB-CB 3.87Å; F85-A339 HydrophobicContact CD1-CB 3.31Å; F85-A339 HydrophobicContact CD2-CB 4.36Å; F85-A339 HydrophobicContact CE1-CB 3.82Å; F85-A339 HydrophobicContact CG-CB 3.63Å; R319-A339 PolarHBondContact NH2-O 3.24Å; R336-A339 WeakPolarHBondContact O-CA 3.35Å; R336-A339 PolarHBondContact O-N 3Å; R336-A339 VanDerWaalsContact O-N 3.13Å; D337-A339 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.9Å
340Y98.1Very high97.4Very high45 Ų4514.3 Ų14.318%0.1767%0.071CC..THydrogen-bonded Turntrans62.412.3-176.6-55.2-93.9000114.4K315 M318 R319 D322 F335 R336 F338K315-Y340 WeakPolarHBondContact CG-O 3.21Å; M318-Y340 HydrophobicContact CB-CD1 3.59Å; M318-Y340 HydrophobicContact CB-CE1 4.24Å; M318-Y340 HydrophobicContact CE-CD1 4.18Å; M318-Y340 WeakPolarHBondContact O-CE1 3.19Å; R319-Y340 HydrophobicContact CG-CD1 3.86Å; R319-Y340 HydrophobicContact CG-CD2 3.48Å; R319-Y340 VanDerWaalsContact CG-CD2 3.48Å; R319-Y340 HydrophobicContact CG-CE1 4.11Å; R319-Y340 HydrophobicContact CG-CE2 3.82Å; R319-Y340 HydrophobicContact CG-CG 3.49Å; R319-Y340 VanDerWaalsContact CG-CG 3.49Å; D322-Y340 PolarHBondContact OD1-OH 3.04Å; D322-Y340 VanDerWaalsContact OD1-OH 3.09Å; F335-Y340 WeakPolarHBondContact O-CA 3.49Å; F335-Y340 PolarHBondContact O-N 2.69Å; R336-Y340 HydrophobicContact CB-CD1 4.38Å; R336-Y340 HydrophobicContact CB-CE1 4.21Å; R336-Y340 HydrophobicContact CG-CD1 4.22Å; R336-Y340 HydrophobicContact CG-CE1 3.65Å; R336-Y340 HydrophobicContact CG-CE2 4.19Å; R336-Y340 PolarHBondContact O-N 2.86Å; R336-Y340 VanDerWaalsContact O-N 3.12Å; F338-Y340 PolarHBondContact O-N 3.14Å
341C97.5Very high97.9Very high0 Ų013.6 Ų13.60%07%0.066CC..EExtended strand (participates in β ladder)trans-89.3162.8-179.5-72.30000111.9Y81 A114 Y334 F335 F338 A339Y81-C341 HydrophobicContact CD2-CB 3.57Å; Y81-C341 HydrophobicContact CE2-CB 4.34Å; Y81-C341 HydrophobicContact CG-CB 3.9Å; A114-C341 PolarHBondContact O-SG 3.13Å; Y334-C341 VanDerWaalsContact CA-O 3.31Å; Y334-C341 WeakPolarHBondContact CA-O 3.45Å; F335-C341 PolarHBondContact N-O 2.84Å; F338-C341 HydrophobicContact CD1-CB 3.98Å; F338-C341 HydrophobicContact CE1-CB 4.4Å; F338-C341 WeakPolarHBondContact O-CB 3.5Å; F338-C341 PolarHBondContact O-N 2.92Å; A339-C341 PolarHBondContact O-N 2.9Å
342D97.5Very high98.1Very high1 Ų113.7 Ų13.71%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-75.4147172.232.6-3000112E78 Y81 K315 H332 H333 Y334E78-D342 WeakPolarHBondContact CB-O 3.44Å; Y81-D342 WeakPolarHBondContact CE2-OD1 3.42Å; K315-D342 WeakPolarHBondContact CE-OD1 3.43Å; K315-D342 IonicContact NZ-OD1 2.72Å; K315-D342 PolarHBondContact NZ-OD1 3.48Å; H332-D342 HydrophobicContact CB-CB 4.43Å; H332-D342 IonicContact CD2-OD2 2.72Å; H333-D342 WeakPolarHBondContact O-CA 3.46Å; Y334-D342 HydrophobicContact CD1-CB 3.67Å; Y334-D342 HydrophobicContact CE1-CB 3.46Å; Y334-D342 VanDerWaalsContact CE1-CB 3.46Å; Y334-D342 WeakPolarHBondContact CE1-OD2 3.28Å; Y334-D342 HydrophobicContact CG-CB 4.33Å; Y334-D342 PolarHBondContact OH-OD2 2.73Å
343S98.5Very high98.2Very high0 Ų012.5 Ų12.50%06%0.061CC..  trans-141.8132.3173172.10000108.8E78 H333 M345 I346 P347E78-S343 VanDerWaalsContact CD-OG 3.31Å; E78-S343 WeakPolarHBondContact OE1-CA 3.29Å; E78-S343 WeakPolarHBondContact OE1-CB 3.48Å; E78-S343 PolarHBondContact OE1-OG 2.99Å; E78-S343 PolarHBondContact OE2-OG 2.95Å; H333-S343 PolarHBondContact O-N 2.79Å; S343-M345 PolarHBondContact OG-N 3.47Å; S343-M345 VanDerWaalsContact OG-N 3.11Å; S343-I346 WeakPolarHBondContact OG-CG1 3.41Å; S343-I346 PolarHBondContact OG-N 3.46Å; S343-P347 WeakPolarHBondContact O-CD 3.34Å; S343-P347 VanDerWaalsContact O-CG 3.26Å; S343-P347 WeakPolarHBondContact O-CG 3.39Å
344G98.3Very high98.2Very high0 Ų013.2 Ų13.20%07%0.065CC..SBendtrans-83.2-21.6165.100000111.8E78 F244 F248 C251E78-G344 PolarHBondContact OE2-N 3.49Å; F244-G344 WeakPolarHBondContact CE1-O 3.26Å; F248-G344 VanDerWaalsContact O-CA 3.28Å; F248-G344 WeakPolarHBondContact O-CA 3.3Å; F248-G344 PolarHBondContact O-N 2.97Å; C251-G344 WeakPolarHBondContact CB-O 3.32Å
345M98.7Very high98.1Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-80.3-39.6-178.1-67.7-65.9167.700114.4E78 Y155 L159 A182 V185 V186 I189 F244 F248 S343 W348 L349E78-M345 PolarHBondContact OE2-N 3.13Å; E78-M345 VanDerWaalsContact OE2-N 3.14Å; Y155-M345 WeakPolarHBondContact OH-CG 3.31Å; L159-M345 HydrophobicContact CD1-CB 3.77Å; L159-M345 HydrophobicContact CD1-CG 4.25Å; L159-M345 HydrophobicContact CD2-CB 3.87Å; L159-M345 HydrophobicContact CG-CB 4.48Å; A182-M345 HydrophobicContact CB-CE 3.88Å; V185-M345 HydrophobicContact CB-CE 3.94Å; V185-M345 HydrophobicContact CG1-CE 3.79Å; V185-M345 HydrophobicContact CG1-CG 3.99Å; V185-M345 HydrophobicContact CG1-SD 3.93Å; V186-M345 HydrophobicContact CG2-CE 4.24Å; I189-M345 HydrophobicContact CD1-SD 3.87Å; F244-M345 HydrophobicContact CE1-CE 3.99Å; F244-M345 HydrophobicContact CE1-SD 4.09Å; F244-M345 HydrophobicContact CE2-CE 4.16Å; F244-M345 HydrophobicContact CZ-CE 3.77Å; F244-M345 HydrophobicContact CZ-SD 3.76Å; F248-M345 HydrophobicContact CD2-CE 3.89Å; F248-M345 HydrophobicContact CD2-CG 4.41Å; F248-M345 HydrophobicContact CE2-CE 4.32Å; F248-M345 HydrophobicContact CG-CE 4.27Å; S343-M345 PolarHBondContact OG-N 3.47Å; S343-M345 VanDerWaalsContact OG-N 3.11Å; M345-W348 PolarHBondContact O-NE1 3.38Å; M345-W348 VanDerWaalsContact O-NE1 3.11Å; M345-W348 PolarHBondContact SD-NE1 2.95Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å
346I98.6Very high98.1Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-62.8-45.2-178.8-65.4167.1000113L159 Y162 F335 F338 S343 W348 L349 L350L159-I346 HydrophobicContact CD2-CD1 4.33Å; L159-I346 HydrophobicContact CD2-CG1 3.62Å; Y162-I346 HydrophobicContact CD1-CD1 4.43Å; Y162-I346 HydrophobicContact CD1-CG2 3.67Å; Y162-I346 HydrophobicContact CD2-CD1 4Å; Y162-I346 HydrophobicContact CD2-CG1 4Å; Y162-I346 HydrophobicContact CD2-CG2 4.39Å; Y162-I346 HydrophobicContact CE1-CD1 4.02Å; Y162-I346 HydrophobicContact CE1-CG2 4.12Å; Y162-I346 HydrophobicContact CE2-CD1 3.55Å; Y162-I346 HydrophobicContact CE2-CG1 4.08Å; Y162-I346 HydrophobicContact CG-CD1 4.42Å; Y162-I346 HydrophobicContact CG-CG1 4.3Å; Y162-I346 HydrophobicContact CG-CG2 3.84Å; F335-I346 HydrophobicContact CB-CD1 4.46Å; F335-I346 HydrophobicContact CD1-CG2 3.88Å; F335-I346 HydrophobicContact CD2-CB 4.06Å; F335-I346 HydrophobicContact CD2-CD1 3.7Å; F335-I346 HydrophobicContact CD2-CG1 4.48Å; F335-I346 HydrophobicContact CD2-CG2 4.04Å; F335-I346 HydrophobicContact CE1-CB 4.33Å; F335-I346 HydrophobicContact CE1-CG2 3.47Å; F335-I346 VanDerWaalsContact CE1-CG2 3.47Å; F335-I346 HydrophobicContact CE2-CB 3.6Å; F335-I346 HydrophobicContact CE2-CD1 4.14Å; F335-I346 HydrophobicContact CE2-CG1 4.46Å; F335-I346 HydrophobicContact CE2-CG2 3.68Å; F335-I346 HydrophobicContact CG-CD1 4.07Å; F335-I346 HydrophobicContact CG-CG2 4.13Å; F335-I346 HydrophobicContact CZ-CB 3.75Å; F335-I346 HydrophobicContact CZ-CG2 3.36Å; F338-I346 HydrophobicContact CB-CD1 4.03Å; F338-I346 HydrophobicContact CD2-CD1 4.03Å; F338-I346 HydrophobicContact CG-CD1 3.96Å; S343-I346 WeakPolarHBondContact OG-CG1 3.41Å; S343-I346 PolarHBondContact OG-N 3.46Å; I346-W348 PolarHBondContact O-N 2.83Å; I346-L349 PolarHBondContact O-N 3.11Å; I346-L350 HydrophobicContact CG2-CD1 3.6Å; I346-L350 HydrophobicContact CG2-CG 4.02Å; I346-L350 WeakPolarHBondContact O-CG 3.05Å; I346-L350 PolarHBondContact O-N 3.36Å
347P98.4Very high98.1Very high0 Ų015.9 Ų15.90%09%0.086CC..Hα-helixtrans-56.4-47-174.6-27.634.5000113.9C251 L270 H333 F335 S343 L350 V351C251-P347 WeakPolarHBondContact SG-CB 3.46Å; C251-P347 VanDerWaalsContact SG-CG 3.52Å; L270-P347 HydrophobicContact CD1-CB 3.99Å; H333-P347 HydrophobicContact CB-CB 4.48Å; H333-P347 HydrophobicContact CB-CG 3.5Å; F335-P347 HydrophobicContact CE2-CG 4.12Å; F335-P347 HydrophobicContact CZ-CG 3.86Å; S343-P347 WeakPolarHBondContact O-CD 3.34Å; S343-P347 VanDerWaalsContact O-CG 3.26Å; S343-P347 WeakPolarHBondContact O-CG 3.39Å; P347-L350 PolarHBondContact O-N 3.02Å; P347-V351 WeakPolarHBondContact O-CG2 3.43Å; P347-V351 PolarHBondContact O-N 3.01Å
348W98.6Very high98.1Very high0 Ų015.7 Ų15.70%08%0.08CC..Hα-helixtrans-73.4-30.3-17673.1-99.3000112.3L173 I175 I189 F193 I242 F244 L253 M345 I346 V351 A352L173-W348 HydrophobicContact CD1-CE3 4.11Å; L173-W348 HydrophobicContact CD1-CZ3 3.82Å; I175-W348 HydrophobicContact CD1-CH2 4.15Å; I175-W348 HydrophobicContact CD1-CZ2 4.26Å; I175-W348 HydrophobicContact CD1-CZ3 4.46Å; I189-W348 HydrophobicContact CD1-CZ2 3.79Å; I189-W348 HydrophobicContact CG2-CH2 3.68Å; I189-W348 HydrophobicContact CG2-CZ2 3.95Å; F193-W348 AromaticContact CE2-CH2 3.89Å; F193-W348 HydrophobicContact CE2-CH2 3.89Å; F193-W348 HydrophobicContact CE2-CZ3 4.18Å; F193-W348 HydrophobicContact CZ-CH2 4.25Å; F193-W348 HydrophobicContact CZ-CZ3 4.32Å; I242-W348 HydrophobicContact CG1-CB 3.72Å; I242-W348 HydrophobicContact CG1-CG 4.12Å; I242-W348 HydrophobicContact CG2-CB 4.11Å; I242-W348 HydrophobicContact CG2-CG 4.14Å; F244-W348 AromaticContact CZ-CD1 3.76Å; F244-W348 AromaticContact CZ-NE1 3.71Å; L253-W348 HydrophobicContact CD2-CB 4Å; M345-W348 PolarHBondContact O-NE1 3.38Å; M345-W348 VanDerWaalsContact O-NE1 3.11Å; M345-W348 PolarHBondContact SD-NE1 2.95Å; I346-W348 PolarHBondContact O-N 2.83Å; W348-V351 PolarHBondContact O-N 2.9Å; W348-A352 VanDerWaalsContact O-CB 3.27Å; W348-A352 WeakPolarHBondContact O-CB 3.5Å; W348-A352 PolarHBondContact O-N 3.34Å
349L98.7Very high98Very high1 Ų119 Ų191%0.00511%0.114CC..Hα-helixtrans-62.7-47.1171.4-71.1169.9000110.5L159 I163 I189 F193 M345 I346 A352 E353L159-L349 HydrophobicContact CB-CD1 4.05Å; I163-L349 HydrophobicContact CD1-CB 4.49Å; I163-L349 HydrophobicContact CD1-CD2 4.06Å; I163-L349 HydrophobicContact CG2-CB 3.97Å; I163-L349 WeakPolarHBondContact CG2-O 3.46Å; I189-L349 HydrophobicContact CG2-CD2 4.43Å; F193-L349 HydrophobicContact CE2-CD2 4.39Å; F193-L349 HydrophobicContact CZ-CD2 3.65Å; M345-L349 WeakPolarHBondContact O-CG 3.49Å; I346-L349 PolarHBondContact O-N 3.11Å; L349-A352 PolarHBondContact O-N 3.32Å; L349-E353 PolarHBondContact O-N 3.17Å
350L98.2Very high98Very high18 Ų1823 Ų239%0.09413%0.128CC..Hα-helixtrans-62.1-44176.6-71.5173.9000112Y162 I163 L270 F274 F335 I346 P347 A352 E353 L354Y162-L350 WeakPolarHBondContact O-CD2 3.32Å; I163-L350 HydrophobicContact CG2-CD2 4.32Å; L270-L350 HydrophobicContact CD2-CB 3.87Å; L270-L350 HydrophobicContact CD2-CD1 4.08Å; F274-L350 HydrophobicContact CE2-CD1 3.78Å; F274-L350 HydrophobicContact CZ-CD1 3.81Å; F335-L350 HydrophobicContact CE1-CD1 3.75Å; F335-L350 HydrophobicContact CZ-CD1 4.36Å; I346-L350 HydrophobicContact CG2-CD1 3.6Å; I346-L350 HydrophobicContact CG2-CG 4.02Å; I346-L350 WeakPolarHBondContact O-CG 3.05Å; I346-L350 PolarHBondContact O-N 3.36Å; P347-L350 PolarHBondContact O-N 3.02Å; L350-A352 VanDerWaalsContact C-N 3.35Å; L350-E353 PolarHBondContact O-N 2.96Å; L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 PolarHBondContact O-N 3.02Å
351V98.5Very high98.1Very high0 Ų022.8 Ų22.80%013%0.132CC..Hα-helixtrans-66-38.1177.8172.70000111.3M240 L253 L269 L270 P347 W348 L354 V355 L362M240-V351 HydrophobicContact CE-CG1 4.16Å; M240-V351 HydrophobicContact SD-CG1 3.86Å; L253-V351 HydrophobicContact CD1-CB 4.26Å; L253-V351 HydrophobicContact CD1-CG1 4.2Å; L253-V351 HydrophobicContact CD1-CG2 3.86Å; L269-V351 HydrophobicContact CD2-CG2 4.22Å; L270-V351 HydrophobicContact CD2-CG2 4.06Å; P347-V351 WeakPolarHBondContact O-CG2 3.43Å; P347-V351 PolarHBondContact O-N 3.01Å; W348-V351 PolarHBondContact O-N 2.9Å; V351-L354 PolarHBondContact O-N 2.91Å; V351-V355 HydrophobicContact CG1-CG2 4.33Å; V351-V355 WeakPolarHBondContact O-CG2 3.44Å; V351-V355 PolarHBondContact O-N 2.77Å; V351-L362 HydrophobicContact CG1-CD1 3.87Å
352A98.6Very high98.1Very high4 Ų422.8 Ų22.83%0.03313%0.132CC..Hα-helixtrans-61-46.6174.800000111.6L171 L173 M240 W348 L349 L350 L354 C356L171-A352 HydrophobicContact CD1-CB 3.94Å; L173-A352 HydrophobicContact CD1-CB 4.31Å; M240-A352 HydrophobicContact CE-CB 3.91Å; W348-A352 VanDerWaalsContact O-CB 3.27Å; W348-A352 WeakPolarHBondContact O-CB 3.5Å; W348-A352 PolarHBondContact O-N 3.34Å; L349-A352 PolarHBondContact O-N 3.32Å; L350-A352 VanDerWaalsContact C-N 3.35Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.48Å; A352-C356 PolarHBondContact O-N 3.07Å; A352-C356 PolarHBondContact O-SG 2.99Å
353E98Very high98.2Very high8 Ų823.2 Ų23.24%0.03714%0.136CC..Hα-helixtrans-59.7-43.2173.3-178.5179.3-128.400111.7I163 N164 N167 L168 K277 L349 L350 C356 L357I163-E353 HydrophobicContact CB-CB 4.45Å; I163-E353 HydrophobicContact CG2-CB 4.07Å; N164-E353 WeakPolarHBondContact CB-OE1 3.37Å; N164-E353 PolarHBondContact N-OE1 3.18Å; N167-E353 HydrophobicContact CB-CG 3.97Å; N167-E353 PolarHBondContact ND2-OE1 2.95Å; L168-E353 HydrophobicContact CD2-CB 4.2Å; K277-E353 IonicContact NZ-OE2 3.18Å; L349-E353 PolarHBondContact O-N 3.17Å; L350-E353 PolarHBondContact O-N 2.96Å; E353-C356 PolarHBondContact O-N 2.75Å; E353-L357 HydrophobicContact CG-CD1 3.79Å; E353-L357 HydrophobicContact CG-CG 4.2Å; E353-L357 WeakPolarHBondContact O-CB 3.49Å; E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.13Å
354L97.6Very high98.2Very high16 Ų1626.3 Ų26.38%0.08415%0.15CC..Hα-helixtrans-65.2-42.8-177.4-171.564.4000112.6L269 A273 L350 V351 A352 C356 L357 K358 L365L269-L354 HydrophobicContact CD1-CD2 3.52Å; L269-L354 HydrophobicContact CD2-CD2 4.26Å; L269-L354 HydrophobicContact CG-CD2 3.76Å; A273-L354 HydrophobicContact CB-CD2 4.42Å; L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 PolarHBondContact O-N 3.02Å; V351-L354 PolarHBondContact O-N 2.91Å; A352-L354 VanDerWaalsContact C-N 3.32Å; A352-L354 PolarHBondContact O-N 3.48Å; L354-C356 VanDerWaalsContact C-N 3.3Å; L354-C356 PolarHBondContact O-N 3.07Å; L354-L357 PolarHBondContact O-N 3.31Å; L354-K358 HydrophobicContact CD1-CD 4.37Å; L354-K358 HydrophobicContact CD1-CG 3.81Å; L354-K358 HydrophobicContact CG-CG 4.19Å; L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 WeakPolarHBondContact O-CG 3.27Å; L354-K358 PolarHBondContact O-N 2.7Å; L354-L365 HydrophobicContact CD2-CD1 4.31Å; L354-L365 HydrophobicContact CG-CD1 4.27Å
355V98.3Very high98.2Very high16 Ų1627.8 Ų27.810%0.09716%0.158CC..Hα-helixtrans-56.8-44.8174.6161.20000110.5L171 V351 G359 K360 L362 L365L171-V355 HydrophobicContact CD2-CG1 4.15Å; V351-V355 HydrophobicContact CG1-CG2 4.33Å; V351-V355 WeakPolarHBondContact O-CG2 3.44Å; V351-V355 PolarHBondContact O-N 2.77Å; V355-G359 PolarHBondContact O-N 2.77Å; V355-K360 WeakPolarHBondContact CG1-O 3.15Å; V355-K360 PolarHBondContact O-N 2.91Å; V355-L362 HydrophobicContact CG2-CB 4.45Å; V355-L365 HydrophobicContact CG2-CD1 3.84Å
356C98.2Very high98.1Very high16 Ų1627.9 Ų27.911%0.10816%0.159CC..Hα-helixtrans-65.2-48.6176.1-66.40000112.7N167 T169 L171 A352 E353 L354 K358 G359N167-C356 WeakPolarHBondContact O-CB 3.45Å; T169-C356 HydrophobicContact CG2-CB 4.37Å; T169-C356 PolarHBondContact N-SG 2.91Å; T169-C356 PolarHBondContact OG1-SG 3.4Å; L171-C356 WeakPolarHBondContact CD1-SG 3.4Å; L171-C356 VanDerWaalsContact CG-SG 3.58Å; A352-C356 PolarHBondContact O-N 3.07Å; A352-C356 PolarHBondContact O-SG 2.99Å; E353-C356 PolarHBondContact O-N 2.75Å; L354-C356 VanDerWaalsContact C-N 3.3Å; L354-C356 PolarHBondContact O-N 3.07Å; C356-K358 VanDerWaalsContact C-N 3.35Å; C356-K358 PolarHBondContact O-N 3.16Å; C356-G359 PolarHBondContact O-N 2.72Å
357L97Very high98.1Very high95 Ų9533.5 Ų33.550%0.49718%0.18SC..Hα-helixtrans-64-38.3-177-78176.4000112.9N167 E353 L354N167-L357 HydrophobicContact CB-CD2 3.89Å; N167-L357 HydrophobicContact CB-CG 4.12Å; E353-L357 HydrophobicContact CG-CD1 3.79Å; E353-L357 HydrophobicContact CG-CG 4.2Å; E353-L357 WeakPolarHBondContact O-CB 3.49Å; E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.13Å; L354-L357 PolarHBondContact O-N 3.31Å
358K96.4Very high98Very high90 Ų9039 Ų3939%0.39121%0.209SC..Hα-helixtrans-87.5-14.3-178-58.8-66.5-174.5179.60112.6E276 L354 C356 K360 L365E276-K358 IonicContact OE1-NZ 3.17Å; E276-K358 PolarHBondContact OE1-NZ 3.01Å; E276-K358 IonicContact OE2-NZ 2.7Å; E276-K358 PolarHBondContact OE2-NZ 3.41Å; L354-K358 HydrophobicContact CD1-CD 4.37Å; L354-K358 HydrophobicContact CD1-CG 3.81Å; L354-K358 HydrophobicContact CG-CG 4.19Å; L354-K358 WeakPolarHBondContact O-CB 3.33Å; L354-K358 WeakPolarHBondContact O-CG 3.27Å; L354-K358 PolarHBondContact O-N 2.7Å; C356-K358 VanDerWaalsContact C-N 3.35Å; C356-K358 PolarHBondContact O-N 3.16Å; K358-K360 HydrophobicContact CB-CB 4.41Å; K358-K360 PolarHBondContact O-N 3.24Å; K358-L365 HydrophobicContact CB-CD2 4.09Å; K358-L365 HydrophobicContact CG-CD2 4.17Å
359G97.3Very high98Very high69 Ų6941.9 Ų41.971%0.71122%0.22SC*.THydrogen-bonded Turntrans60.433.2-176.400000112.8V355 C356V355-G359 PolarHBondContact O-N 2.77Å; C356-G359 PolarHBondContact O-N 2.72Å
360K98Very high98Very high104 Ų10445.3 Ų45.345%0.45224%0.237SC..  trans-128.4144.8-176.8-75.6-175.7178.6-174.90109.2V355 K358 E364 L365V355-K360 WeakPolarHBondContact CG1-O 3.15Å; V355-K360 PolarHBondContact O-N 2.91Å; K358-K360 HydrophobicContact CB-CB 4.41Å; K358-K360 PolarHBondContact O-N 3.24Å; K360-E364 HydrophobicContact CB-CB 4.15Å; K360-L365 HydrophobicContact CB-CD2 3.97Å; K360-L365 HydrophobicContact CB-CG 4.1Å; K360-L365 HydrophobicContact CD-CD2 4Å
361T98.5Very high98Very high41 Ų4147.5 Ų47.525%0.25226%0.258SS..  trans-69.8162.5172.884.30000110.9E256 G363 E364 L365E256-T361 HydrophobicContact CG-CG2 4.06Å; E256-T361 PolarHBondContact OE1-OG1 3.39Å; E256-T361 WeakPolarHBondContact OE2-CB 3.47Å; E256-T361 PolarHBondContact OE2-OG1 3.42Å; T361-G363 VanDerWaalsContact C-N 3.27Å; T361-G363 PolarHBondContact O-N 3.45Å; T361-G363 PolarHBondContact OG1-N 3.44Å; T361-E364 HydrophobicContact CG2-CG 4.47Å; T361-E364 PolarHBondContact N-OE2 3.33Å; T361-E364 WeakPolarHBondContact O-CB 3.46Å; T361-E364 PolarHBondContact O-N 3.25Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 WeakPolarHBondContact OG1-CG 3.19Å; T361-E364 PolarHBondContact OG1-N 2.82Å; T361-L365 WeakPolarHBondContact O-CG 3.26Å; T361-L365 PolarHBondContact O-N 3.11Å; T361-L365 VanDerWaalsContact O-N 3.08Å
362L98.7Very high98Very high0 Ų049.3 Ų49.30%027%0.273CS..Hα-helixtrans-55.9-44.3175175.658.5000111.5M240 L253 D255 I261 I266 L269 V351 V355 E364 L365 V366M240-L362 HydrophobicContact CB-CD2 4.49Å; M240-L362 HydrophobicContact SD-CD2 4.25Å; L253-L362 HydrophobicContact CB-CD2 3.84Å; L253-L362 HydrophobicContact CD1-CD2 4.45Å; D255-L362 HydrophobicContact CB-CB 4.47Å; I261-L362 HydrophobicContact CG1-CD2 4.11Å; I261-L362 HydrophobicContact CG1-CG 4.29Å; I266-L362 HydrophobicContact CD1-CD1 4.27Å; L269-L362 HydrophobicContact CD2-CD1 3.96Å; V351-L362 HydrophobicContact CG1-CD1 3.87Å; V355-L362 HydrophobicContact CG2-CB 4.45Å; L362-E364 VanDerWaalsContact C-N 3.25Å; L362-E364 PolarHBondContact O-N 2.98Å; L362-L365 PolarHBondContact O-N 3.43Å; L362-L365 VanDerWaalsContact O-N 3.13Å; L362-V366 HydrophobicContact CD1-CG1 4.37Å; L362-V366 WeakPolarHBondContact O-CG2 3.42Å; L362-V366 PolarHBondContact O-N 3.11Å
363G98.4Very high98Very high9 Ų949.7 Ų49.79%0.09327%0.274CS..Hα-helixtrans-58.4-38.5177.600000112.2E256 T361 R367E256-G363 PolarHBondContact OE2-N 2.7Å; T361-G363 VanDerWaalsContact C-N 3.27Å; T361-G363 PolarHBondContact O-N 3.45Å; T361-G363 PolarHBondContact OG1-N 3.44Å; G363-R367 VanDerWaalsContact O-CB 3.22Å; G363-R367 WeakPolarHBondContact O-CB 3.22Å; G363-R367 PolarHBondContact O-N 2.97Å
364E98.4Very high98Very high65 Ų6549.7 Ų49.730%0.30427%0.274SS..Hα-helixtrans-70-33.8176.9-58.7-164.911100114K360 T361 L362 V366 R367K360-E364 HydrophobicContact CB-CB 4.15Å; T361-E364 HydrophobicContact CG2-CG 4.47Å; T361-E364 PolarHBondContact N-OE2 3.33Å; T361-E364 WeakPolarHBondContact O-CB 3.46Å; T361-E364 PolarHBondContact O-N 3.25Å; T361-E364 VanDerWaalsContact O-N 3.1Å; T361-E364 WeakPolarHBondContact OG1-CG 3.19Å; T361-E364 PolarHBondContact OG1-N 2.82Å; L362-E364 VanDerWaalsContact C-N 3.25Å; L362-E364 PolarHBondContact O-N 2.98Å; E364-V366 VanDerWaalsContact C-N 3.29Å; E364-V366 PolarHBondContact O-N 3.23Å; E364-R367 IonicContact OE1-CZ 3.64Å; E364-R367 IonicContact OE1-NH1 3.83Å; E364-R367 IonicContact OE1-NH2 2.72Å; E364-R367 PolarHBondContact OE1-NH2 2.99Å
365L98.2Very high98Very high32 Ų3249.9 Ų49.917%0.16828%0.278CS..Hα-helixtrans-66.1-32.1178.1-70.3172.7000112.2L269 L354 V355 K358 K360 T361 L362L269-L365 HydrophobicContact CD1-CB 4.02Å; L269-L365 HydrophobicContact CD1-CD1 4.45Å; L269-L365 HydrophobicContact CD2-CB 4.49Å; L354-L365 HydrophobicContact CD2-CD1 4.31Å; L354-L365 HydrophobicContact CG-CD1 4.27Å; V355-L365 HydrophobicContact CG2-CD1 3.84Å; K358-L365 HydrophobicContact CB-CD2 4.09Å; K358-L365 HydrophobicContact CG-CD2 4.17Å; K360-L365 HydrophobicContact CB-CD2 3.97Å; K360-L365 HydrophobicContact CB-CG 4.1Å; K360-L365 HydrophobicContact CD-CD2 4Å; T361-L365 WeakPolarHBondContact O-CG 3.26Å; T361-L365 PolarHBondContact O-N 3.11Å; T361-L365 VanDerWaalsContact O-N 3.08Å; L362-L365 PolarHBondContact O-N 3.43Å; L362-L365 VanDerWaalsContact O-N 3.13Å
366V98.1Very high97.9Very high2 Ų250.5 Ų50.51%0.01228%0.283CS..Hα-helixtrans-103.7-15.3-176.3-59.30000114.4I261 I266 L269 L362 E364 D368 R369 M370I261-V366 HydrophobicContact CD1-CG2 3.98Å; I261-V366 HydrophobicContact CG1-CG2 4.44Å; I261-V366 HydrophobicContact CG2-CB 4.49Å; I261-V366 HydrophobicContact CG2-CG1 4.27Å; I261-V366 HydrophobicContact CG2-CG2 4.06Å; I266-V366 HydrophobicContact CD1-CG1 4.47Å; L269-V366 HydrophobicContact CD2-CG1 4.23Å; L362-V366 HydrophobicContact CD1-CG1 4.37Å; L362-V366 WeakPolarHBondContact O-CG2 3.42Å; L362-V366 PolarHBondContact O-N 3.11Å; E364-V366 VanDerWaalsContact C-N 3.29Å; E364-V366 PolarHBondContact O-N 3.23Å; V366-D368 PolarHBondContact O-N 3.25Å; V366-R369 WeakPolarHBondContact O-CB 3.46Å; V366-R369 PolarHBondContact O-N 3.5Å; V366-M370 HydrophobicContact CB-CG 4.48Å; V366-M370 HydrophobicContact CB-SD 4.35Å; V366-M370 HydrophobicContact CG2-CG 4.42Å; V366-M370 HydrophobicContact CG2-SD 3.67Å; V366-M370 WeakPolarHBondContact O-CG 3.42Å; V366-M370 PolarHBondContact O-N 2.83Å
367R97.8Very high97.7Very high117 Ų11750.1 Ų50.144%0.44228%0.282SS..Hα-helixtrans-50.6-51-173.8171.2169.351.8-145.6-3.3114.2G363 E364 R369 M370 A371G363-R367 VanDerWaalsContact O-CB 3.22Å; G363-R367 WeakPolarHBondContact O-CB 3.22Å; G363-R367 PolarHBondContact O-N 2.97Å; E364-R367 IonicContact OE1-CZ 3.64Å; E364-R367 IonicContact OE1-NH1 3.83Å; E364-R367 IonicContact OE1-NH2 2.72Å; E364-R367 PolarHBondContact OE1-NH2 2.99Å; R367-R369 PolarHBondContact O-N 3.45Å; R367-M370 PolarHBondContact O-N 3.28Å; R367-A371 PolarHBondContact O-N 3.12Å
368D97.5Very high97.4Very high115 Ų11547.5 Ų47.562%0.61527%0.267SS*.Hα-helixtrans-67.2-32.4-176.2-63.6-11.9000111V366 A371 A372V366-D368 PolarHBondContact O-N 3.25Å; D368-A371 PolarHBondContact O-N 3.45Å; D368-A372 VanDerWaalsContact O-CB 3.31Å; D368-A372 WeakPolarHBondContact O-CB 3.46Å; D368-A372 PolarHBondContact O-N 2.92Å
369R98.2Very high97.3Very high62 Ų6245.6 Ų45.623%0.23426%0.26CS..Hα-helixtrans-71.9-40.8177.1-54.4-47.6-55.8179.4-3.3111.8Y265 N292 D295 V296 V366 R367 A371 A372 F373Y265-R369 HydrophobicContact CD1-CB 4.2Å; N292-R369 PolarHBondContact O-NH2 3.16Å; N292-R369 WeakPolarHBondContact OD1-CB 3.16Å; N292-R369 VanDerWaalsContact OD1-CZ 3.3Å; N292-R369 PolarHBondContact OD1-NE 3.33Å; N292-R369 PolarHBondContact OD1-NH2 2.69Å; D295-R369 IonicContact OD2-CZ 3.22Å; D295-R369 IonicContact OD2-NH1 2.8Å; D295-R369 PolarHBondContact OD2-NH1 3.05Å; D295-R369 IonicContact OD2-NH2 2.83Å; D295-R369 PolarHBondContact OD2-NH2 3.33Å; V296-R369 VanDerWaalsContact CG2-CZ 3.48Å; V366-R369 WeakPolarHBondContact O-CB 3.46Å; V366-R369 PolarHBondContact O-N 3.5Å; R367-R369 PolarHBondContact O-N 3.45Å; R369-A371 VanDerWaalsContact C-N 3.32Å; R369-A372 PolarHBondContact O-N 2.8Å; R369-F373 PolarHBondContact O-N 3.04Å
370M98.2Very high97Very high73 Ų7345.7 Ų45.736%0.3625%0.245SC..Hα-helixtrans-62.7-38.6173-67.4174.568.500112.1I261 Y265 V366 R367 P374I261-M370 HydrophobicContact CD1-SD 4.44Å; Y265-M370 HydrophobicContact CD1-CG 3.97Å; Y265-M370 HydrophobicContact CD2-CG 3.69Å; Y265-M370 HydrophobicContact CD2-SD 4.49Å; Y265-M370 HydrophobicContact CE1-CB 4.27Å; Y265-M370 HydrophobicContact CE1-CG 3.89Å; Y265-M370 HydrophobicContact CE2-CB 4.46Å; Y265-M370 HydrophobicContact CE2-CG 3.6Å; Y265-M370 HydrophobicContact CG-CG 3.87Å; V366-M370 HydrophobicContact CB-CG 4.48Å; V366-M370 HydrophobicContact CB-SD 4.35Å; V366-M370 HydrophobicContact CG2-CG 4.42Å; V366-M370 HydrophobicContact CG2-SD 3.67Å; V366-M370 WeakPolarHBondContact O-CG 3.42Å; V366-M370 PolarHBondContact O-N 2.83Å; R367-M370 PolarHBondContact O-N 3.28Å; M370-P374 WeakPolarHBondContact O-CA 3.08Å
371A98.2Very high96.8Very high64 Ų6441.3 Ų41.353%0.52923%0.227SC..Hα-helixtrans-70.5-40.4176.600000112R367 D368 R369 G438R367-A371 PolarHBondContact O-N 3.12Å; D368-A371 PolarHBondContact O-N 3.45Å; R369-A371 VanDerWaalsContact C-N 3.32Å; A371-G438 WeakPolarHBondContact O-CA 3.35Å
372A98.4Very high96.6Very high37 Ų3747.8 Ų47.831%0.30625%0.252SS..Hα-helixtrans-72.4-33.5-179.600000113.4D368 R369 G438D368-A372 VanDerWaalsContact O-CB 3.31Å; D368-A372 WeakPolarHBondContact O-CB 3.46Å; D368-A372 PolarHBondContact O-N 2.92Å; R369-A372 PolarHBondContact O-N 2.8Å; A372-G438 PolarHBondContact O-N 3.33Å
373F98.6Very high96.3Very high13 Ų1349 Ų496%0.05726%0.258CS..SBendtrans-135.762.9-175.5-60.6-74.7000112.1Y264 Y265 W291 N292 D295 R369 A375 S436Y264-F373 HydrophobicContact CE1-CB 4.47Å; Y265-F373 PolarHBondContact OH-O 3.29Å; W291-F373 HydrophobicContact CB-CD1 3.59Å; W291-F373 HydrophobicContact CB-CE1 3.58Å; W291-F373 HydrophobicContact CB-CG 4.45Å; W291-F373 HydrophobicContact CB-CZ 4.43Å; W291-F373 HydrophobicContact CE3-CD1 4.28Å; W291-F373 HydrophobicContact CE3-CE1 4.47Å; W291-F373 HydrophobicContact CG-CE1 4.43Å; N292-F373 HydrophobicContact CB-CB 4.04Å; N292-F373 HydrophobicContact CB-CD2 3.86Å; N292-F373 HydrophobicContact CB-CG 4.06Å; D295-F373 HydrophobicContact CB-CE2 4.06Å; D295-F373 HydrophobicContact CB-CZ 4.04Å; R369-F373 PolarHBondContact O-N 3.04Å; F373-A375 PolarHBondContact O-N 3.34Å; F373-S436 WeakPolarHBondContact CA-O 3.12Å
374P98.4Very high96Very high7 Ų752.9 Ų52.95%0.04529%0.29CS..  trans-61.1139.6179.528.5-36.2000110.4M370 E435 S436 V440M370-P374 WeakPolarHBondContact O-CA 3.08Å; P374-E435 VanDerWaalsContact O-CA 3.3Å; P374-E435 WeakPolarHBondContact O-CA 3.26Å; P374-S436 WeakPolarHBondContact CD-O 3.03Å; P374-S436 VanDerWaalsContact CG-OG 3.27Å; P374-S436 WeakPolarHBondContact CG-OG 3.32Å; P374-S436 PolarHBondContact O-N 2.83Å; P374-V440 HydrophobicContact CB-CG2 3.63Å; P374-V440 HydrophobicContact CG-CG2 3.88Å
375A97.9Very high95.8Very high21 Ų2155.2 Ų55.217%0.17430%0.3CS..BIsolated β-bridgetrans-130.1150.8-174.400000111.9Y264 Y265 L289 F373 G377 V434Y264-A375 HydrophobicContact CD1-CB 4.17Å; Y264-A375 HydrophobicContact CE1-CB 4.43Å; Y265-A375 PolarHBondContact OH-N 2.83Å; L289-A375 HydrophobicContact CD1-CB 3.72Å; L289-A375 HydrophobicContact CD2-CB 3.96Å; F373-A375 PolarHBondContact O-N 3.34Å; A375-G377 PolarHBondContact O-N 3.47Å; A375-V434 CarbonylContact C-O 3.47Å; A375-V434 VanDerWaalsContact CA-O 3.23Å; A375-V434 WeakPolarHBondContact CA-O 3.47Å
376S96.3Very high95.6Very high29 Ų2955.6 Ų55.620%0.20330%0.304CS..  trans-73-11.1178.663.10000114.4V434S376-V434 PolarHBondContact N-O 3.23Å; S376-V434 PolarHBondContact OG-N 3.42Å
377G92.5Very high95.3Very high7 Ų761.3 Ų61.37%0.07233%0.334CS..  trans67.8-171.2-156.600000111.7E262 A375 N433E262-G377 WeakPolarHBondContact OE2-CA 3.31Å; A375-G377 PolarHBondContact O-N 3.47Å; G377-N433 PolarHBondContact O-ND2 3.41Å
378E92.4Very high95.2Very high41 Ų4161 Ų6119%0.19234%0.338CS..  trans-90.3119.1173.6-167175.7-102.900110.6R288 M329 R422 R431 N433R288-E378 IonicContact CZ-OE1 2.64Å; R288-E378 IonicContact NH1-OE1 3.75Å; R288-E378 PolarHBondContact NH1-OE1 3.28Å; M329-E378 HydrophobicContact CE-CB 4.14Å; E378-R422 IonicContact OE1-CZ 2.69Å; E378-R422 IonicContact OE1-NH1 3.03Å; E378-R422 PolarHBondContact OE1-NH1 3.43Å; E378-R422 IonicContact OE1-NH2 3.77Å; E378-R431 HydrophobicContact CG-CB 4.04Å; E378-R431 WeakPolarHBondContact OE1-CD 3.39Å; E378-R431 WeakPolarHBondContact OE2-CD 3.18Å; E378-R431 IonicContact OE2-CZ 2.73Å; E378-R431 IonicContact OE2-NE 3.08Å; E378-R431 IonicContact OE2-NH1 3.93Å; E378-R431 PolarHBondContact OE2-NH1 2.95Å; E378-N433 WeakPolarHBondContact CA-ND2 3.43Å; E378-N433 PolarHBondContact N-ND2 2.68Å
379I92.6Very high95.2Very high49 Ų4955.8 Ų55.825%0.25131%0.31SS..EExtended strand (participates in β ladder)trans-107.2118.8178.3-55.8169.7000108.8R431 L432 T447 L451I379-R431 WeakPolarHBondContact O-CA 3.5Å; I379-L432 HydrophobicContact CB-CB 4.41Å; I379-L432 PolarHBondContact N-O 3.37Å; I379-L432 PolarHBondContact O-N 2.84Å; I379-T447 HydrophobicContact CD1-CG2 3.46Å; I379-T447 VanDerWaalsContact CD1-CG2 3.46Å; I379-L451 HydrophobicContact CD1-CD1 4.3Å; I379-L451 HydrophobicContact CG2-CD2 3.92Å
380N91.7Very high95.1Very high71 Ų7153.9 Ų53.938%0.3830%0.304SS..EExtended strand (participates in β ladder)trans-95.5127.3-178.7-65.1-37.1000111.1R431N380-R431 PolarHBondContact ND2-NH1 2.89Å; N380-R431 WeakPolarHBondContact OD1-CD 3.36Å; N380-R431 WeakPolarHBondContact OD1-CG 3.49Å; N380-R431 PolarHBondContact OD1-NH1 2.89Å
381S94.1Very high95.1Very high12 Ų1253.9 Ų53.98%0.08431%0.306CS..EExtended strand (participates in β ladder)trans-119.6126.4177.1-610000111V429 V430S381-V429 WeakPolarHBondContact O-CA 3.26Å; S381-V430 PolarHBondContact N-O 3.45Å; S381-V430 PolarHBondContact O-N 2.99Å
382K93.9Very high95Very high178 Ų17855 Ų5577%0.77430%0.296SS*.  trans-88109.5169-73.6178.5-177.9176.50108.3V429K382-V429 HydrophobicContact CG-CG1 3.72Å
383L93.4Very high95Very high25 Ų2553.2 Ų53.213%0.13128%0.282CS..  trans-117.6141.9-174.9-55.7179000110.3P386 A389 V430 L454L383-P386 HydrophobicContact CB-CG 4.41Å; L383-A389 HydrophobicContact CD1-CB 3.72Å; L383-V430 HydrophobicContact CD1-CB 4.06Å; L383-V430 HydrophobicContact CD1-CG2 3.84Å; L383-L454 HydrophobicContact CD1-CB 4.13Å; L383-L454 HydrophobicContact CD1-CD2 4.05Å; L383-L454 WeakPolarHBondContact CD2-O 3.46Å
384A91.5Very high94.9Very high91 Ų9154.4 Ų54.475%0.75229%0.287SS*.SBendtrans-67.9-39.1177.100000112.3P386A384-P386 WeakPolarHBondContact O-CD 3.27Å
385H93.5Very high94.9Very high114 Ų11461 Ų6153%0.52832%0.317SS..SBendtrans-125.572.4-179.3-59.2-82.8000111.6I387 E388 A389H385-I387 VanDerWaalsContact C-N 3.33Å; H385-I387 PolarHBondContact O-N 3Å; H385-E388 HydrophobicContact CB-CB 4.01Å; H385-E388 HydrophobicContact CB-CG 4.24Å; H385-E388 IonicContact CG-OE1 3.91Å; H385-E388 IonicContact CG-OE2 2.67Å; H385-E388 IonicContact ND1-OE1 2.77Å; H385-E388 PolarHBondContact O-N 3.47Å; H385-A389 PolarHBondContact O-N 3.48Å
386P93.8Very high94.8Very high39 Ų3964.7 Ų64.725%0.25333%0.331SS..Hα-helixtrans-55.2-42.1-173.5-28.636000114.8L383 A384 A389 I390 T423 V430L383-P386 HydrophobicContact CB-CG 4.41Å; A384-P386 WeakPolarHBondContact O-CD 3.27Å; P386-A389 PolarHBondContact O-N 2.56Å; P386-I390 WeakPolarHBondContact O-CG1 3.43Å; P386-I390 PolarHBondContact O-N 2.97Å; P386-T423 HydrophobicContact CB-CG2 4.31Å; P386-V430 HydrophobicContact CB-CG2 3.71Å
387I93.1Very high94.9Very high123 Ų12363.3 Ų63.363%0.63132%0.321SS*.Hα-helixtrans-66.7-44.5-177.7-63.2174000110.4H385 I390 N391H385-I387 VanDerWaalsContact C-N 3.33Å; H385-I387 PolarHBondContact O-N 3Å; I387-I390 PolarHBondContact O-N 2.91Å; I387-N391 WeakPolarHBondContact O-CB 3.47Å; I387-N391 PolarHBondContact O-N 3.23Å; I387-N391 PolarHBondContact O-ND2 2.93Å
388E96.1Very high95Very high111 Ų11166.1 Ų66.152%0.51934%0.34SS..Hα-helixtrans-64.8-42178.9-65.3170.4-147.600111H385 N391 R392H385-E388 HydrophobicContact CB-CB 4.01Å; H385-E388 HydrophobicContact CB-CG 4.24Å; H385-E388 IonicContact CG-OE1 3.91Å; H385-E388 IonicContact CG-OE2 2.67Å; H385-E388 IonicContact ND1-OE1 2.77Å; H385-E388 PolarHBondContact O-N 3.47Å; E388-N391 PolarHBondContact O-N 2.8Å; E388-R392 WeakPolarHBondContact O-CB 3.3Å; E388-R392 PolarHBondContact O-N 2.87Å
389A97Very high95.2Very high4 Ų475.7 Ų75.73%0.03337%0.374CS..Hα-helixtrans-61.8-45.5176.100000112.6L383 H385 P386 N391 R392 V393 L454L383-A389 HydrophobicContact CD1-CB 3.72Å; H385-A389 PolarHBondContact O-N 3.48Å; P386-A389 PolarHBondContact O-N 2.56Å; A389-N391 VanDerWaalsContact C-N 3.34Å; A389-N391 PolarHBondContact O-N 3.01Å; A389-R392 WeakPolarHBondContact O-CB 3.42Å; A389-R392 PolarHBondContact O-N 3.42Å; A389-V393 PolarHBondContact O-N 3.4Å; A389-V393 VanDerWaalsContact O-N 3.13Å; A389-L454 HydrophobicContact CB-CD2 4.07Å
390I96.4Very high95.3Very high23 Ų2378.4 Ų78.412%0.11839%0.386CS..Hα-helixtrans-62.2-43.3175.8-69.3168.6000110.7P386 I387 R392 V393 E394 I410 T423 V430P386-I390 WeakPolarHBondContact O-CG1 3.43Å; P386-I390 PolarHBondContact O-N 2.97Å; I387-I390 PolarHBondContact O-N 2.91Å; I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 3.19Å; I390-V393 PolarHBondContact O-N 3.5Å; I390-E394 PolarHBondContact O-N 2.99Å; I390-I410 HydrophobicContact CG2-CG2 3.8Å; I390-T423 HydrophobicContact CD1-CG2 3.98Å; I390-V430 HydrophobicContact CD1-CG1 4.27Å; I390-V430 HydrophobicContact CD1-CG2 4.2Å; I390-V430 HydrophobicContact CG1-CG1 4.25Å; I390-V430 HydrophobicContact CG1-CG2 4.5Å
391N96.6Very high95.6Very high73 Ų7376.2 Ų76.239%0.3938%0.378SS..Hα-helixtrans-63.1-37.3177.3-71.5-19.1000112.1I387 E388 A389 E394 Q395I387-N391 WeakPolarHBondContact O-CB 3.47Å; I387-N391 PolarHBondContact O-N 3.23Å; I387-N391 PolarHBondContact O-ND2 2.93Å; E388-N391 PolarHBondContact O-N 2.8Å; A389-N391 VanDerWaalsContact C-N 3.34Å; A389-N391 PolarHBondContact O-N 3.01Å; N391-E394 PolarHBondContact O-N 3.4Å; N391-Q395 WeakPolarHBondContact O-CB 3.27Å; N391-Q395 VanDerWaalsContact O-CG 3.26Å; N391-Q395 WeakPolarHBondContact O-CG 3.37Å; N391-Q395 PolarHBondContact O-N 3.46Å
392R97.2Very high95.8Very high87 Ų8781.7 Ų81.733%0.32841%0.405SS..Hα-helixtrans-60.6-47.5175.7-162.3-166.2-42.7-81.80.5111.2E388 A389 I390 Q395 H396 L453 E456E388-R392 WeakPolarHBondContact O-CB 3.3Å; E388-R392 PolarHBondContact O-N 2.87Å; A389-R392 WeakPolarHBondContact O-CB 3.42Å; A389-R392 PolarHBondContact O-N 3.42Å; I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 3.19Å; R392-Q395 PolarHBondContact O-N 2.89Å; R392-H396 WeakPolarHBondContact O-CB 3.48Å; R392-H396 PolarHBondContact O-N 2.86Å; R392-L453 WeakPolarHBondContact CD-O 3.16Å; R392-L453 PolarHBondContact NE-O 3Å; R392-E456 WeakPolarHBondContact CD-OE2 3.21Å; R392-E456 VanDerWaalsContact CZ-OXT 3.31Å; R392-E456 IonicContact NE-OE2 2.99Å; R392-E456 PolarHBondContact NE-OXT 3.15Å; R392-E456 PolarHBondContact NH2-OXT 3Å
393V97.9Very high95.9Very high0 Ų075.6 Ų75.60%039%0.388CS..Hα-helixtrans-61.2-48.7175.7172.60000111A389 I390 Q395 H396 F397 F419 L421 L450 L453 L454A389-V393 PolarHBondContact O-N 3.4Å; A389-V393 VanDerWaalsContact O-N 3.13Å; I390-V393 PolarHBondContact O-N 3.5Å; V393-Q395 VanDerWaalsContact C-N 3.35Å; V393-Q395 PolarHBondContact O-N 2.93Å; V393-H396 PolarHBondContact O-N 3.16Å; V393-F397 HydrophobicContact CG1-CD2 4.02Å; V393-F397 HydrophobicContact CG1-CE2 4.26Å; V393-F397 WeakPolarHBondContact O-CD2 3.34Å; V393-F397 PolarHBondContact O-N 2.85Å; V393-F419 HydrophobicContact CG1-CE1 4.48Å; V393-F419 HydrophobicContact CG1-CE2 4.01Å; V393-F419 HydrophobicContact CG1-CZ 3.68Å; V393-L421 HydrophobicContact CB-CD1 3.94Å; V393-L421 HydrophobicContact CG1-CD1 3.65Å; V393-L421 HydrophobicContact CG2-CD1 4.08Å; V393-L450 HydrophobicContact CG1-CD2 3.38Å; V393-L453 HydrophobicContact CG2-CB 3.74Å; V393-L453 HydrophobicContact CG2-CD1 4.49Å; V393-L454 HydrophobicContact CG2-CD2 3.88Å; V393-L454 HydrophobicContact CG2-CG 4.03Å
394E97.4Very high96.1Very high38 Ų3877.8 Ų77.818%0.17840%0.402CS..Hα-helixtrans-57.7-48.1179.4179.9174.8178.300111.4I390 N391 H396 F397 S398 R406 I410 M412I390-E394 PolarHBondContact O-N 2.99Å; N391-E394 PolarHBondContact O-N 3.4Å; E394-H396 VanDerWaalsContact C-N 3.35Å; E394-H396 PolarHBondContact O-N 2.86Å; E394-F397 PolarHBondContact O-N 2.88Å; E394-S398 WeakPolarHBondContact O-CA 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.42Å; E394-S398 PolarHBondContact O-N 2.77Å; E394-R406 IonicContact OE1-CZ 2.68Å; E394-R406 IonicContact OE1-NH2 3.58Å; E394-R406 PolarHBondContact OE1-NH2 2.87Å; E394-R406 IonicContact OE2-CZ 2.76Å; E394-R406 IonicContact OE2-NH1 3.66Å; E394-R406 PolarHBondContact OE2-NH1 3.15Å; E394-R406 IonicContact OE2-NH2 3.18Å; E394-R406 PolarHBondContact OE2-NH2 2.83Å; E394-I410 HydrophobicContact CB-CD1 3.73Å; E394-I410 HydrophobicContact CG-CD1 3.46Å; E394-I410 VanDerWaalsContact CG-CD1 3.46Å; E394-I410 WeakPolarHBondContact OE2-CD1 3.27Å; E394-M412 HydrophobicContact CB-SD 4.46Å; E394-M412 HydrophobicContact CG-SD 4.25Å
395Q97.1Very high96.4Very high144 Ų14476.1 Ų76.167%0.67338%0.381SS*.Hα-helixtrans-62.1-43179.9-74.51778.900111.9N391 R392 V393 F397 S398N391-Q395 WeakPolarHBondContact O-CB 3.27Å; N391-Q395 VanDerWaalsContact O-CG 3.26Å; N391-Q395 WeakPolarHBondContact O-CG 3.37Å; N391-Q395 PolarHBondContact O-N 3.46Å; R392-Q395 PolarHBondContact O-N 2.89Å; V393-Q395 VanDerWaalsContact C-N 3.35Å; V393-Q395 PolarHBondContact O-N 2.93Å; Q395-F397 VanDerWaalsContact C-N 3.29Å; Q395-F397 PolarHBondContact O-N 3.23Å; Q395-S398 PolarHBondContact O-N 3.26Å; Q395-S398 PolarHBondContact O-OG 2.9Å
396H97.5Very high96.5Very high100 Ų10077.8 Ų77.846%0.46338%0.383SS..Hα-helixtrans-56.6-42.8179.5-171.795.1000112R392 V393 E394 L453R392-H396 WeakPolarHBondContact O-CB 3.48Å; R392-H396 PolarHBondContact O-N 2.86Å; V393-H396 PolarHBondContact O-N 3.16Å; E394-H396 VanDerWaalsContact C-N 3.35Å; E394-H396 PolarHBondContact O-N 2.86Å; H396-L453 HydrophobicContact CB-CD1 3.94Å; H396-L453 HydrophobicContact CB-CD2 4.44Å
397F97.2Very high96.5Very high0 Ų078.8 Ų78.80%039%0.388CS..Hα-helixtrans-99.3-3.8-175.9-67.1-70.1000115.1V393 E394 Q395 R399 E400 A401 M412 F414 W417 F419 T449 L450 L453V393-F397 HydrophobicContact CG1-CD2 4.02Å; V393-F397 HydrophobicContact CG1-CE2 4.26Å; V393-F397 WeakPolarHBondContact O-CD2 3.34Å; V393-F397 PolarHBondContact O-N 2.85Å; E394-F397 PolarHBondContact O-N 2.88Å; Q395-F397 VanDerWaalsContact C-N 3.29Å; Q395-F397 PolarHBondContact O-N 3.23Å; F397-R399 PolarHBondContact O-N 2.89Å; F397-R399 VanDerWaalsContact O-N 3.08Å; F397-E400 PolarHBondContact O-N 2.83Å; F397-A401 PolarHBondContact O-N 3.11Å; F397-A401 VanDerWaalsContact O-N 3.15Å; F397-M412 HydrophobicContact CB-CE 3.76Å; F397-M412 HydrophobicContact CB-SD 4.4Å; F397-F414 HydrophobicContact CB-CE1 3.9Å; F397-F414 HydrophobicContact CB-CZ 3.62Å; F397-F414 HydrophobicContact CD1-CE1 4.24Å; F397-F414 HydrophobicContact CD1-CZ 4.15Å; F397-F414 HydrophobicContact CG-CE1 4.39Å; F397-F414 AromaticContact CG-CZ 3.99Å; F397-F414 HydrophobicContact CG-CZ 3.99Å; F397-W417 HydrophobicContact CD1-CH2 4.15Å; F397-W417 HydrophobicContact CD1-CZ2 4.13Å; F397-W417 AromaticContact CE1-CH2 3.84Å; F397-W417 HydrophobicContact CE1-CH2 3.84Å; F397-W417 AromaticContact CE1-CZ2 3.92Å; F397-W417 HydrophobicContact CE1-CZ2 3.92Å; F397-W417 HydrophobicContact CE2-CH2 4.44Å; F397-W417 AromaticContact CZ-CH2 4Å; F397-W417 HydrophobicContact CZ-CH2 4Å; F397-F419 HydrophobicContact CD2-CE1 4.2Å; F397-T449 HydrophobicContact CZ-CG2 3.97Å; F397-L450 HydrophobicContact CD2-CD2 4.24Å; F397-L450 HydrophobicContact CE2-CD2 3.63Å; F397-L450 HydrophobicContact CE2-CG 4.32Å; F397-L450 HydrophobicContact CZ-CD2 4.46Å; F397-L453 HydrophobicContact CE2-CD1 3.72Å; F397-L453 HydrophobicContact CZ-CD1 4.24Å
398S95.2Very high96.5Very high66 Ų6673.5 Ų73.546%0.46236%0.361SS..THydrogen-bonded Turntrans-53-34.6-172.758.80000114.7E394 Q395E394-S398 WeakPolarHBondContact O-CA 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.42Å; E394-S398 PolarHBondContact O-N 2.77Å; Q395-S398 PolarHBondContact O-N 3.26Å; Q395-S398 PolarHBondContact O-OG 2.9Å
399R95.4Very high96.4Very high241 Ų24169.9 Ų69.991%0.90935%0.354SS*.THydrogen-bonded Turntrans-79.8-21.5-178.8-65.6-175.8178.3177.50.2114F397F397-R399 PolarHBondContact O-N 2.89Å; F397-R399 VanDerWaalsContact O-N 3.08Å
400E96.2Very high96.4Very high107 Ų10769.9 Ų69.950%0.535%0.353SS..THydrogen-bonded Turntrans-98.5-16.9-177.5-69.2175.9-123.400112.5F397 L402 F414F397-E400 PolarHBondContact O-N 2.83Å; E400-L402 PolarHBondContact O-N 2.88Å; E400-F414 HydrophobicContact CB-CD1 4.01Å; E400-F414 HydrophobicContact CB-CE1 3.92Å; E400-F414 WeakPolarHBondContact O-CD1 3.44Å
401A97.4Very high96.5Very high25 Ų2569 Ų6921%0.20735%0.349CS..  trans-67.7128.7-17600000112.1F397 V404 M412 F414F397-A401 PolarHBondContact O-N 3.11Å; F397-A401 VanDerWaalsContact O-N 3.15Å; A401-V404 HydrophobicContact CB-CG2 4.17Å; A401-M412 HydrophobicContact CB-CE 3.49Å; A401-M412 VanDerWaalsContact CB-CE 3.49Å; A401-F414 HydrophobicContact CB-CE1 4.01Å; A401-F414 HydrophobicContact CB-CZ 4.34Å
402L97.9Very high96.6Very high127 Ų12765.5 Ų65.567%0.66533%0.33SS*.SBendtrans-80.3-30.7173-59.5-179.2000111.7E400 T413 A415E400-L402 PolarHBondContact O-N 2.88Å; L402-T413 WeakPolarHBondContact CB-O 3.45Å; L402-T413 PolarHBondContact N-O 2.75Å; L402-A415 HydrophobicContact CD1-CB 4.37Å
403A97.4Very high96.7Very high50 Ų5063.1 Ų63.141%0.41333%0.326SS..EExtended strand (participates in β ladder)trans-150.7148.3175.200000110.7M412 T413A403-M412 WeakPolarHBondContact O-CA 3.45Å; A403-T413 PolarHBondContact N-O 3.48Å; A403-T413 PolarHBondContact O-N 3.07Å
404V97.4Very high96.7Very high71 Ų7163.6 Ų63.643%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-125.3121.5171.8-175.70000107.9A401 R406 I410 S411 M412A401-V404 HydrophobicContact CB-CG2 4.17Å; V404-R406 HydrophobicContact CG1-CG 4.49Å; V404-I410 HydrophobicContact CG1-CD1 4.08Å; V404-I410 HydrophobicContact CG1-CG1 4Å; V404-S411 CarbonylContact C-O 3.58Å; V404-S411 WeakPolarHBondContact CA-O 3.31Å; V404-M412 HydrophobicContact CG1-CG 4.44Å; V404-M412 HydrophobicContact CG2-CE 4.34Å; V404-M412 HydrophobicContact CG2-CG 4.28Å
405D96.6Very high96.7Very high56 Ų5664.7 Ų64.730%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-114.2137.4174.8175.9-76.5000109.5T407 S411D405-T407 WeakPolarHBondContact OD1-CB 3.37Å; D405-T407 PolarHBondContact OD1-N 2.8Å; D405-T407 PolarHBondContact OD1-OG1 2.97Å; D405-T407 PolarHBondContact OD2-OG1 3.11Å; D405-S411 PolarHBondContact N-O 3.04Å; D405-S411 PolarHBondContact O-N 3.03Å
406R96.2Very high96.7Very high149 Ų14962 Ų6256%0.56233%0.333SS*.  trans-119.523.3-178.6-62.7-173.7176.9-81.39.2112.6E394 V404 D408 G409E394-R406 IonicContact OE1-CZ 2.68Å; E394-R406 IonicContact OE1-NH2 3.58Å; E394-R406 PolarHBondContact OE1-NH2 2.87Å; E394-R406 IonicContact OE2-CZ 2.76Å; E394-R406 IonicContact OE2-NH1 3.66Å; E394-R406 PolarHBondContact OE2-NH1 3.15Å; E394-R406 IonicContact OE2-NH2 3.18Å; E394-R406 PolarHBondContact OE2-NH2 2.83Å; V404-R406 HydrophobicContact CG1-CG 4.49Å; R406-D408 VanDerWaalsContact C-N 3.3Å; R406-D408 PolarHBondContact O-N 3.04Å; R406-G409 WeakPolarHBondContact CA-O 3.39Å
407T94.2Very high96.8Very high60 Ų6057.8 Ų57.837%0.36831%0.313SS..SBendtrans-60.2-42.1179.5-63.50000111D405D405-T407 WeakPolarHBondContact OD1-CB 3.37Å; D405-T407 PolarHBondContact OD1-N 2.8Å; D405-T407 PolarHBondContact OD1-OG1 2.97Å; D405-T407 PolarHBondContact OD2-OG1 3.11Å
408D92.7Very high96.8Very high11 Ų1158 Ų586%0.05931%0.314CS..SBendtrans-145.9105.6171.3-164.120.8000111.6P287 K308 T309 R406 N420 R422P287-D408 HydrophobicContact CG-CB 3.64Å; K308-D408 VanDerWaalsContact CE-OD1 3.25Å; K308-D408 WeakPolarHBondContact CE-OD1 3.37Å; K308-D408 HydrophobicContact CG-CB 3.92Å; T309-D408 WeakPolarHBondContact CB-OD2 3.29Å; T309-D408 PolarHBondContact N-OD2 3.49Å; T309-D408 PolarHBondContact OG1-OD2 2.97Å; R406-D408 VanDerWaalsContact C-N 3.3Å; R406-D408 PolarHBondContact O-N 3.04Å; D408-N420 PolarHBondContact O-ND2 2.89Å; D408-R422 WeakPolarHBondContact OD2-CD 3.42Å; D408-R422 IonicContact OD2-NE 3.94Å
409G94.5Very high97Very high36 Ų3654.9 Ų54.937%0.37129%0.292SS..SBendtrans68.8-131.2-170.400000111.5R406 L421R406-G409 WeakPolarHBondContact CA-O 3.39Å; G409-L421 CarbonylContact C-O 3.59Å; G409-L421 WeakPolarHBondContact CA-O 3.04Å
410I97.3Very high97.2Very high3 Ų343.4 Ų43.42%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-127.1125.3172.7-172.3172.9000110.6I390 E394 V404 M412 N420 L421I390-I410 HydrophobicContact CG2-CG2 3.8Å; E394-I410 HydrophobicContact CB-CD1 3.73Å; E394-I410 HydrophobicContact CG-CD1 3.46Å; E394-I410 VanDerWaalsContact CG-CD1 3.46Å; E394-I410 WeakPolarHBondContact OE2-CD1 3.27Å; V404-I410 HydrophobicContact CG1-CD1 4.08Å; V404-I410 HydrophobicContact CG1-CG1 4Å; I410-M412 HydrophobicContact CD1-CG 3.89Å; I410-M412 HydrophobicContact CD1-SD 3.76Å; I410-M412 HydrophobicContact CG1-CG 3.89Å; I410-M412 HydrophobicContact CG1-SD 4.39Å; I410-N420 CarbonylContact O-C 3.3Å; I410-N420 WeakPolarHBondContact O-CA 3.33Å; I410-L421 HydrophobicContact CG2-CB 3.81Å; I410-L421 PolarHBondContact N-O 3.23Å; I410-L421 PolarHBondContact O-N 3.3Å
411S98.3Very high97.2Very high5 Ų538.3 Ų38.34%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-111.1122.2169.3-73.20000108.9V404 D405 R418 F419 N420V404-S411 CarbonylContact C-O 3.58Å; V404-S411 WeakPolarHBondContact CA-O 3.31Å; D405-S411 PolarHBondContact N-O 3.04Å; D405-S411 PolarHBondContact O-N 3.03Å; S411-R418 PolarHBondContact OG-NH2 3.13Å; S411-F419 VanDerWaalsContact CA-O 3.25Å; S411-F419 WeakPolarHBondContact CA-O 3.45Å; S411-N420 PolarHBondContact OG-ND2 3.2Å
412M98.5Very high97.1Very high0 Ų038.1 Ų38.10%022%0.219CC..EExtended strand (participates in β ladder)trans-117.4128.4175-60.2179.468.200109.3E394 F397 A401 A403 V404 I410 F414 R418 F419E394-M412 HydrophobicContact CB-SD 4.46Å; E394-M412 HydrophobicContact CG-SD 4.25Å; F397-M412 HydrophobicContact CB-CE 3.76Å; F397-M412 HydrophobicContact CB-SD 4.4Å; A401-M412 HydrophobicContact CB-CE 3.49Å; A401-M412 VanDerWaalsContact CB-CE 3.49Å; A403-M412 WeakPolarHBondContact O-CA 3.45Å; V404-M412 HydrophobicContact CG1-CG 4.44Å; V404-M412 HydrophobicContact CG2-CE 4.34Å; V404-M412 HydrophobicContact CG2-CG 4.28Å; I410-M412 HydrophobicContact CD1-CG 3.89Å; I410-M412 HydrophobicContact CD1-SD 3.76Å; I410-M412 HydrophobicContact CG1-CG 3.89Å; I410-M412 HydrophobicContact CG1-SD 4.39Å; M412-F414 HydrophobicContact CB-CE2 3.82Å; M412-F414 HydrophobicContact CB-CZ 3.86Å; M412-F414 HydrophobicContact CE-CZ 4.29Å; M412-R418 VanDerWaalsContact O-CA 3.3Å; M412-R418 WeakPolarHBondContact O-CA 3.26Å; M412-R418 WeakPolarHBondContact O-CB 3.25Å; M412-F419 HydrophobicContact CB-CD1 4.27Å; M412-F419 HydrophobicContact CB-CE1 3.66Å; M412-F419 HydrophobicContact CB-CE2 4.45Å; M412-F419 HydrophobicContact CB-CZ 3.77Å; M412-F419 HydrophobicContact CG-CE1 4.19Å; M412-F419 HydrophobicContact CG-CE2 4.36Å; M412-F419 HydrophobicContact CG-CZ 3.78Å; M412-F419 PolarHBondContact N-O 3.4Å; M412-F419 VanDerWaalsContact N-O 3.08Å; M412-F419 PolarHBondContact O-N 2.84Å; M412-F419 VanDerWaalsContact O-N 3.09Å; M412-F419 HydrophobicContact SD-CE1 4.1Å; M412-F419 HydrophobicContact SD-CE2 4.42Å; M412-F419 HydrophobicContact SD-CZ 3.52Å; M412-F419 VanDerWaalsContact SD-CZ 3.52Å
413T98.5Very high96.8Very high37 Ų3735.3 Ų35.323%0.22721%0.207CC..EExtended strand (participates in β ladder)trans-108.9132.7-178.7-620000110W291 L402 A403 R418W291-T413 HydrophobicContact CZ2-CG2 3.81Å; L402-T413 WeakPolarHBondContact CB-O 3.45Å; L402-T413 PolarHBondContact N-O 2.75Å; A403-T413 PolarHBondContact N-O 3.48Å; A403-T413 PolarHBondContact O-N 3.07Å; T413-R418 HydrophobicContact CG2-CB 4.47Å
414F98.3Very high96Very high9 Ų933.7 Ų33.74%0.03919%0.193CC..  trans-118.3-175.4174.3-50.3-91.6000108.8F397 E400 A401 M412 W417 F419F397-F414 HydrophobicContact CB-CE1 3.9Å; F397-F414 HydrophobicContact CB-CZ 3.62Å; F397-F414 HydrophobicContact CD1-CE1 4.24Å; F397-F414 HydrophobicContact CD1-CZ 4.15Å; F397-F414 HydrophobicContact CG-CE1 4.39Å; F397-F414 AromaticContact CG-CZ 3.99Å; F397-F414 HydrophobicContact CG-CZ 3.99Å; E400-F414 HydrophobicContact CB-CD1 4.01Å; E400-F414 HydrophobicContact CB-CE1 3.92Å; E400-F414 WeakPolarHBondContact O-CD1 3.44Å; A401-F414 HydrophobicContact CB-CE1 4.01Å; A401-F414 HydrophobicContact CB-CZ 4.34Å; M412-F414 HydrophobicContact CB-CE2 3.82Å; M412-F414 HydrophobicContact CB-CZ 3.86Å; M412-F414 HydrophobicContact CE-CZ 4.29Å; F414-W417 CarbonylContact C-O 3.58Å; F414-W417 WeakPolarHBondContact CA-O 3.41Å; F414-W417 HydrophobicContact CB-CD2 4.47Å; F414-W417 HydrophobicContact CB-CG 4.32Å; F414-W417 WeakPolarHBondContact CB-O 3.42Å; F414-W417 HydrophobicContact CD1-CZ2 4.16Å; F414-W417 AromaticContact CD2-CD2 3.69Å; F414-W417 HydrophobicContact CD2-CD2 3.69Å; F414-W417 AromaticContact CD2-CE2 3.35Å; F414-W417 HydrophobicContact CD2-CE3 4.06Å; F414-W417 HydrophobicContact CD2-CG 4.3Å; F414-W417 AromaticContact CD2-CH2 3.86Å; F414-W417 HydrophobicContact CD2-CH2 3.86Å; F414-W417 AromaticContact CD2-CZ2 3.44Å; F414-W417 HydrophobicContact CD2-CZ2 3.44Å; F414-W417 VanDerWaalsContact CD2-CZ2 3.44Å; F414-W417 HydrophobicContact CD2-CZ3 4.15Å; F414-W417 AromaticContact CD2-NE1 3.78Å; F414-W417 HydrophobicContact CE1-CZ2 4.21Å; F414-W417 HydrophobicContact CE2-CD2 4.34Å; F414-W417 AromaticContact CE2-CE2 3.94Å; F414-W417 HydrophobicContact CE2-CE3 4.34Å; F414-W417 AromaticContact CE2-CH2 3.54Å; F414-W417 HydrophobicContact CE2-CH2 3.54Å; F414-W417 AromaticContact CE2-CZ2 3.52Å; F414-W417 HydrophobicContact CE2-CZ2 3.52Å; F414-W417 AromaticContact CE2-CZ3 3.97Å; F414-W417 HydrophobicContact CE2-CZ3 3.97Å; F414-W417 HydrophobicContact CG-CD2 4.27Å; F414-W417 AromaticContact CG-CE2 3.62Å; F414-W417 AromaticContact CG-CZ2 3.82Å; F414-W417 HydrophobicContact CG-CZ2 3.82Å; F414-W417 AromaticContact CG-NE1 3.57Å; F414-W417 HydrophobicContact CZ-CH2 4.06Å; F414-W417 AromaticContact CZ-CZ2 3.92Å; F414-W417 HydrophobicContact CZ-CZ2 3.92Å; F414-W417 PolarHBondContact N-O 3.47Å; F414-F419 AromaticContact CE2-CD1 3.84Å; F414-F419 HydrophobicContact CE2-CD1 3.84Å; F414-F419 AromaticContact CE2-CE1 3.73Å; F414-F419 HydrophobicContact CE2-CE1 3.73Å; F414-F419 AromaticContact CZ-CE1 4Å; F414-F419 HydrophobicContact CZ-CE1 4Å
415A96.6Very high94.9Very high61 Ų6133.9 Ų33.950%0.50419%0.191SC..SBendtrans-57.9-58.8-176.900000112.2L402L402-A415 HydrophobicContact CD1-CB 4.37Å
416D97.9Very high93.5Very high88 Ų8834 Ų3447%0.47120%0.195SC..SBendtrans-113.74.2-171.3-57-55.1000113.7S436 R437 L442D416-S436 CarbonylContact O-C 3.59Å; D416-S436 WeakPolarHBondContact O-CA 3.5Å; D416-S436 WeakPolarHBondContact O-CB 3.32Å; D416-R437 PolarHBondContact O-N 2.91Å; D416-L442 HydrophobicContact CB-CD2 3.81Å
417W98.7Very high92.4Very high11 Ų1130.4 Ų30.44%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-152.9161.9178.770.7-72.2000112F397 F414 F419 V434 E435 L442 R446 L450F397-W417 HydrophobicContact CD1-CH2 4.15Å; F397-W417 HydrophobicContact CD1-CZ2 4.13Å; F397-W417 AromaticContact CE1-CH2 3.84Å; F397-W417 HydrophobicContact CE1-CH2 3.84Å; F397-W417 AromaticContact CE1-CZ2 3.92Å; F397-W417 HydrophobicContact CE1-CZ2 3.92Å; F397-W417 HydrophobicContact CE2-CH2 4.44Å; F397-W417 AromaticContact CZ-CH2 4Å; F397-W417 HydrophobicContact CZ-CH2 4Å; F414-W417 CarbonylContact C-O 3.58Å; F414-W417 WeakPolarHBondContact CA-O 3.41Å; F414-W417 HydrophobicContact CB-CD2 4.47Å; F414-W417 HydrophobicContact CB-CG 4.32Å; F414-W417 WeakPolarHBondContact CB-O 3.42Å; F414-W417 HydrophobicContact CD1-CZ2 4.16Å; F414-W417 AromaticContact CD2-CD2 3.69Å; F414-W417 HydrophobicContact CD2-CD2 3.69Å; F414-W417 AromaticContact CD2-CE2 3.35Å; F414-W417 HydrophobicContact CD2-CE3 4.06Å; F414-W417 HydrophobicContact CD2-CG 4.3Å; F414-W417 AromaticContact CD2-CH2 3.86Å; F414-W417 HydrophobicContact CD2-CH2 3.86Å; F414-W417 AromaticContact CD2-CZ2 3.44Å; F414-W417 HydrophobicContact CD2-CZ2 3.44Å; F414-W417 VanDerWaalsContact CD2-CZ2 3.44Å; F414-W417 HydrophobicContact CD2-CZ3 4.15Å; F414-W417 AromaticContact CD2-NE1 3.78Å; F414-W417 HydrophobicContact CE1-CZ2 4.21Å; F414-W417 HydrophobicContact CE2-CD2 4.34Å; F414-W417 AromaticContact CE2-CE2 3.94Å; F414-W417 HydrophobicContact CE2-CE3 4.34Å; F414-W417 AromaticContact CE2-CH2 3.54Å; F414-W417 HydrophobicContact CE2-CH2 3.54Å; F414-W417 AromaticContact CE2-CZ2 3.52Å; F414-W417 HydrophobicContact CE2-CZ2 3.52Å; F414-W417 AromaticContact CE2-CZ3 3.97Å; F414-W417 HydrophobicContact CE2-CZ3 3.97Å; F414-W417 HydrophobicContact CG-CD2 4.27Å; F414-W417 AromaticContact CG-CE2 3.62Å; F414-W417 AromaticContact CG-CZ2 3.82Å; F414-W417 HydrophobicContact CG-CZ2 3.82Å; F414-W417 AromaticContact CG-NE1 3.57Å; F414-W417 HydrophobicContact CZ-CH2 4.06Å; F414-W417 AromaticContact CZ-CZ2 3.92Å; F414-W417 HydrophobicContact CZ-CZ2 3.92Å; F414-W417 PolarHBondContact N-O 3.47Å; W417-F419 HydrophobicContact CE3-CD1 4.45Å; W417-F419 AromaticContact CH2-CD1 3.98Å; W417-F419 HydrophobicContact CH2-CD1 3.98Å; W417-F419 HydrophobicContact CH2-CE1 4.26Å; W417-F419 HydrophobicContact CZ3-CB 4.49Å; W417-F419 AromaticContact CZ3-CD1 3.57Å; W417-F419 HydrophobicContact CZ3-CD1 3.57Å; W417-F419 HydrophobicContact CZ3-CE1 4.3Å; W417-F419 HydrophobicContact CZ3-CG 4.47Å; W417-V434 HydrophobicContact CE3-CG1 4.25Å; W417-E435 CarbonylContact C-O 3.52Å; W417-E435 VanDerWaalsContact CA-O 3.28Å; W417-E435 WeakPolarHBondContact CA-O 3.47Å; W417-E435 WeakPolarHBondContact CB-O 3.38Å; W417-L442 HydrophobicContact CB-CD2 4.06Å; W417-L442 HydrophobicContact CB-CG 4.35Å; W417-L442 HydrophobicContact CG-CD2 4.33Å; W417-L442 HydrophobicContact CG-CG 4.49Å; W417-R446 HydrophobicContact CD2-CB 4.06Å; W417-R446 HydrophobicContact CD2-CG 3.63Å; W417-R446 HydrophobicContact CE3-CB 3.63Å; W417-R446 HydrophobicContact CE3-CG 3.77Å; W417-R446 HydrophobicContact CG-CG 4.17Å; W417-R446 HydrophobicContact CH2-CB 4.12Å; W417-R446 HydrophobicContact CH2-CG 4.12Å; W417-R446 HydrophobicContact CZ2-CG 4Å; W417-R446 HydrophobicContact CZ3-CB 3.65Å; W417-R446 HydrophobicContact CZ3-CG 3.99Å; W417-L450 HydrophobicContact CZ3-CD1 4.02Å
418R98.7Very high91.8Very high6 Ų633.1 Ų33.12%0.02320%0.203CC..EExtended strand (participates in β ladder)trans-149165.6171.463.9166.6-68.3-79.9-1.4110.8P287 R288 W291 S411 M412 T413 E435P287-R418 PolarHBondContact O-NH2 3.05Å; R288-R418 PolarHBondContact O-NH1 3.28Å; W291-R418 HydrophobicContact CD2-CG 4.19Å; W291-R418 HydrophobicContact CE3-CG 4.28Å; W291-R418 HydrophobicContact CH2-CB 4.23Å; W291-R418 HydrophobicContact CH2-CG 4.1Å; W291-R418 HydrophobicContact CZ2-CB 4.16Å; W291-R418 HydrophobicContact CZ2-CG 3.99Å; W291-R418 HydrophobicContact CZ3-CG 4.21Å; S411-R418 PolarHBondContact OG-NH2 3.13Å; M412-R418 VanDerWaalsContact O-CA 3.3Å; M412-R418 WeakPolarHBondContact O-CA 3.26Å; M412-R418 WeakPolarHBondContact O-CB 3.25Å; T413-R418 HydrophobicContact CG2-CB 4.47Å; R418-E435 VanDerWaalsContact CD-OE1 3.27Å; R418-E435 WeakPolarHBondContact CD-OE1 3.46Å; R418-E435 HydrophobicContact CG-CG 3.43Å; R418-E435 VanDerWaalsContact CG-CG 3.43Å; R418-E435 IonicContact CZ-OE1 3.26Å; R418-E435 PolarHBondContact N-O 3.5Å; R418-E435 IonicContact NE-OE1 2.77Å; R418-E435 IonicContact NH1-OE1 3.18Å; R418-E435 PolarHBondContact NH1-OE1 3.12Å; R418-E435 PolarHBondContact O-N 3.04Å; R418-E435 VanDerWaalsContact O-N 3.08Å
419F98.8Very high91.7Very high0 Ų033 Ų330%020%0.203CC..EExtended strand (participates in β ladder)trans-140161.8170.671.1-94.1000112.1V393 F397 S411 M412 F414 W417 L421 L432 N433 V434 L450V393-F419 HydrophobicContact CG1-CE1 4.48Å; V393-F419 HydrophobicContact CG1-CE2 4.01Å; V393-F419 HydrophobicContact CG1-CZ 3.68Å; F397-F419 HydrophobicContact CD2-CE1 4.2Å; S411-F419 VanDerWaalsContact CA-O 3.25Å; S411-F419 WeakPolarHBondContact CA-O 3.45Å; M412-F419 HydrophobicContact CB-CD1 4.27Å; M412-F419 HydrophobicContact CB-CE1 3.66Å; M412-F419 HydrophobicContact CB-CE2 4.45Å; M412-F419 HydrophobicContact CB-CZ 3.77Å; M412-F419 HydrophobicContact CG-CE1 4.19Å; M412-F419 HydrophobicContact CG-CE2 4.36Å; M412-F419 HydrophobicContact CG-CZ 3.78Å; M412-F419 PolarHBondContact N-O 3.4Å; M412-F419 VanDerWaalsContact N-O 3.08Å; M412-F419 PolarHBondContact O-N 2.84Å; M412-F419 VanDerWaalsContact O-N 3.09Å; M412-F419 HydrophobicContact SD-CE1 4.1Å; M412-F419 HydrophobicContact SD-CE2 4.42Å; M412-F419 HydrophobicContact SD-CZ 3.52Å; M412-F419 VanDerWaalsContact SD-CZ 3.52Å; F414-F419 AromaticContact CE2-CD1 3.84Å; F414-F419 HydrophobicContact CE2-CD1 3.84Å; F414-F419 AromaticContact CE2-CE1 3.73Å; F414-F419 HydrophobicContact CE2-CE1 3.73Å; F414-F419 AromaticContact CZ-CE1 4Å; F414-F419 HydrophobicContact CZ-CE1 4Å; W417-F419 HydrophobicContact CE3-CD1 4.45Å; W417-F419 AromaticContact CH2-CD1 3.98Å; W417-F419 HydrophobicContact CH2-CD1 3.98Å; W417-F419 HydrophobicContact CH2-CE1 4.26Å; W417-F419 HydrophobicContact CZ3-CB 4.49Å; W417-F419 AromaticContact CZ3-CD1 3.57Å; W417-F419 HydrophobicContact CZ3-CD1 3.57Å; W417-F419 HydrophobicContact CZ3-CE1 4.3Å; W417-F419 HydrophobicContact CZ3-CG 4.47Å; F419-L421 HydrophobicContact CD2-CD1 4.21Å; F419-L421 HydrophobicContact CD2-CG 3.91Å; F419-L421 HydrophobicContact CE2-CB 4.42Å; F419-L421 HydrophobicContact CE2-CD1 3.79Å; F419-L421 HydrophobicContact CE2-CG 3.93Å; F419-L432 HydrophobicContact CB-CD1 4.25Å; F419-N433 CarbonylContact C-O 3.32Å; F419-N433 WeakPolarHBondContact CA-O 3.36Å; F419-N433 WeakPolarHBondContact CB-O 3.47Å; F419-V434 HydrophobicContact CB-CG2 4.13Å; F419-L450 HydrophobicContact CB-CD1 3.87Å; F419-L450 HydrophobicContact CD1-CD1 4.05Å; F419-L450 HydrophobicContact CD1-CD2 4.04Å; F419-L450 HydrophobicContact CD2-CD2 4.35Å; F419-L450 HydrophobicContact CE1-CD2 3.94Å; F419-L450 HydrophobicContact CE2-CD2 4.3Å; F419-L450 HydrophobicContact CG-CD1 3.93Å; F419-L450 HydrophobicContact CG-CD2 4.22Å; F419-L450 HydrophobicContact CZ-CD2 4.08Å
420N98.6Very high91.7Very high0 Ų031.4 Ų31.40%019%0.185CC..EExtended strand (participates in β ladder)trans-122.6135.5163.8178-102.3000109.7D408 I410 S411 N433D408-N420 PolarHBondContact O-ND2 2.89Å; I410-N420 CarbonylContact O-C 3.3Å; I410-N420 WeakPolarHBondContact O-CA 3.33Å; S411-N420 PolarHBondContact OG-ND2 3.2Å; N420-N433 PolarHBondContact N-O 2.93Å; N420-N433 PolarHBondContact O-N 2.76Å
421L97.5Very high91.6Very high0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-123.9125.2169.7-78.8174.8000109.8V393 G409 I410 F419 V430 R431 L432 L454V393-L421 HydrophobicContact CB-CD1 3.94Å; V393-L421 HydrophobicContact CG1-CD1 3.65Å; V393-L421 HydrophobicContact CG2-CD1 4.08Å; G409-L421 CarbonylContact C-O 3.59Å; G409-L421 WeakPolarHBondContact CA-O 3.04Å; I410-L421 HydrophobicContact CG2-CB 3.81Å; I410-L421 PolarHBondContact N-O 3.23Å; I410-L421 PolarHBondContact O-N 3.3Å; F419-L421 HydrophobicContact CD2-CD1 4.21Å; F419-L421 HydrophobicContact CD2-CG 3.91Å; F419-L421 HydrophobicContact CE2-CB 4.42Å; F419-L421 HydrophobicContact CE2-CD1 3.79Å; F419-L421 HydrophobicContact CE2-CG 3.93Å; L421-V430 HydrophobicContact CD2-CG1 3.86Å; L421-R431 WeakPolarHBondContact CA-O 3.33Å; L421-L432 HydrophobicContact CD2-CB 3.75Å; L421-L432 HydrophobicContact CD2-CD1 3.59Å; L421-L432 HydrophobicContact CD2-CG 4.23Å; L421-L432 HydrophobicContact CG-CD1 4.03Å; L421-L454 HydrophobicContact CD1-CD2 4.16Å; L421-L454 HydrophobicContact CD2-CD1 3.88Å; L421-L454 HydrophobicContact CD2-CD2 4.31Å
422R94Very high91.6Very high21 Ų2132 Ų328%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-140.9147176.871.8-176-141.9-69.81.1112.5E378 D408 V430 R431E378-R422 IonicContact OE1-CZ 2.69Å; E378-R422 IonicContact OE1-NH1 3.03Å; E378-R422 PolarHBondContact OE1-NH1 3.43Å; E378-R422 IonicContact OE1-NH2 3.77Å; D408-R422 WeakPolarHBondContact OD2-CD 3.42Å; D408-R422 IonicContact OD2-NE 3.94Å; R422-V430 CarbonylContact O-C 3.55Å; R422-V430 WeakPolarHBondContact O-CA 3.44Å; R422-R431 HydrophobicContact CG-CB 4.21Å; R422-R431 PolarHBondContact N-O 2.89Å; R422-R431 VanDerWaalsContact N-O 3.1Å; R422-R431 VanDerWaalsContact NH1-CD 3.35Å; R422-R431 PolarHBondContact O-N 3.03Å
423T91.4Very high91.5Very high68 Ų6832 Ų3242%0.41719%0.186SC..EExtended strand (participates in β ladder)trans-76.6135.7165.551.40000109.3P386 I390 V430P386-T423 HydrophobicContact CB-CG2 4.31Å; I390-T423 HydrophobicContact CD1-CG2 3.98Å; T423-V430 HydrophobicContact CG2-CG2 4.39Å
424S81.1Confident91.6Very high16 Ų1630.2 Ų30.211%0.11218%0.176CC..  trans-71139.4175.3177.30000111.4T426 E427 V429 R431S424-T426 VanDerWaalsContact C-N 3.29Å; S424-T426 PolarHBondContact OG-N 3.37Å; S424-T426 PolarHBondContact OG-OG1 3.45Å; S424-E427 WeakPolarHBondContact CB-O 3.39Å; S424-E427 PolarHBondContact OG-N 3.29Å; S424-E427 VanDerWaalsContact OG-N 3.16Å; S424-V429 PolarHBondContact N-O 3.45Å; S424-R431 PolarHBondContact OG-NH2 3.12Å
425N75Confident91.6Very high74 Ų7429.8 Ų29.840%0.39617%0.174SC..SBendtrans-81.4-10.8176-65.7-40000113.1Y10Y10-N425 PolarHBondContact OH-ND2 2.96Å
426T66.8Low91.7Very high60 Ų6026.9 Ų26.937%0.36815%0.15SC..SBendtrans-117.4-25.6-172.952.10000112.7S424S424-T426 VanDerWaalsContact C-N 3.29Å; S424-T426 PolarHBondContact OG-N 3.37Å; S424-T426 PolarHBondContact OG-OG1 3.45Å
427E72.2Confident91.7Very high73 Ų7328.4 Ų28.434%0.34115%0.149SC..SBendtrans-133.9150.4-177.3-64.9179.186.800110.5S424 V429 R431S424-E427 WeakPolarHBondContact CB-O 3.39Å; S424-E427 PolarHBondContact OG-N 3.29Å; S424-E427 VanDerWaalsContact OG-N 3.16Å; E427-V429 HydrophobicContact CB-CG2 3.99Å; E427-V429 PolarHBondContact O-N 3.46Å; E427-R431 IonicContact OE2-CZ 3.7Å; E427-R431 IonicContact OE2-NH2 3.51Å; E427-R431 PolarHBondContact OE2-NH2 3.09Å
428P82.7Confident91.7Very high117 Ų11730.2 Ų30.276%0.7617%0.171SC*.SBendtrans-79.861.3178.934.1-36000111.6
429V90.1Very high91.7Very high9 Ų933 Ų336%0.05519%0.187CC..  trans-132.2151-178.4-62.10000112S381 K382 S424 E427 R431S381-V429 WeakPolarHBondContact O-CA 3.26Å; K382-V429 HydrophobicContact CG-CG1 3.72Å; S424-V429 PolarHBondContact N-O 3.45Å; E427-V429 HydrophobicContact CB-CG2 3.99Å; E427-V429 PolarHBondContact O-N 3.46Å; V429-R431 HydrophobicContact CG2-CG 4.14Å
430V95.4Very high91.7Very high1 Ų136.2 Ų36.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-93.3132.9162.4177.90000108.3S381 L383 P386 I390 L421 R422 T423 L454S381-V430 PolarHBondContact N-O 3.45Å; S381-V430 PolarHBondContact O-N 2.99Å; L383-V430 HydrophobicContact CD1-CB 4.06Å; L383-V430 HydrophobicContact CD1-CG2 3.84Å; P386-V430 HydrophobicContact CB-CG2 3.71Å; I390-V430 HydrophobicContact CD1-CG1 4.27Å; I390-V430 HydrophobicContact CD1-CG2 4.2Å; I390-V430 HydrophobicContact CG1-CG1 4.25Å; I390-V430 HydrophobicContact CG1-CG2 4.5Å; L421-V430 HydrophobicContact CD2-CG1 3.86Å; R422-V430 CarbonylContact O-C 3.55Å; R422-V430 WeakPolarHBondContact O-CA 3.44Å; T423-V430 HydrophobicContact CG2-CG2 4.39Å; V430-L454 HydrophobicContact CG1-CD2 4.4Å
431R95Very high91.7Very high19 Ų1940.4 Ų40.47%0.07223%0.233CC..EExtended strand (participates in β ladder)trans-109.3128.7-180-47.9-152.3-174.5-128.1-10.2109.6E378 I379 N380 L421 R422 S424 E427 V429E378-R431 HydrophobicContact CG-CB 4.04Å; E378-R431 WeakPolarHBondContact OE1-CD 3.39Å; E378-R431 WeakPolarHBondContact OE2-CD 3.18Å; E378-R431 IonicContact OE2-CZ 2.73Å; E378-R431 IonicContact OE2-NE 3.08Å; E378-R431 IonicContact OE2-NH1 3.93Å; E378-R431 PolarHBondContact OE2-NH1 2.95Å; I379-R431 WeakPolarHBondContact O-CA 3.5Å; N380-R431 PolarHBondContact ND2-NH1 2.89Å; N380-R431 WeakPolarHBondContact OD1-CD 3.36Å; N380-R431 WeakPolarHBondContact OD1-CG 3.49Å; N380-R431 PolarHBondContact OD1-NH1 2.89Å; L421-R431 WeakPolarHBondContact CA-O 3.33Å; R422-R431 HydrophobicContact CG-CB 4.21Å; R422-R431 PolarHBondContact N-O 2.89Å; R422-R431 VanDerWaalsContact N-O 3.1Å; R422-R431 VanDerWaalsContact NH1-CD 3.35Å; R422-R431 PolarHBondContact O-N 3.03Å; S424-R431 PolarHBondContact OG-NH2 3.12Å; E427-R431 IonicContact OE2-CZ 3.7Å; E427-R431 IonicContact OE2-NH2 3.51Å; E427-R431 PolarHBondContact OE2-NH2 3.09Å; V429-R431 HydrophobicContact CG2-CG 4.14Å
432L97.4Very high91.7Very high1 Ų142 Ų421%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-111.1133.9178.3172.963.8000110.4I379 F419 L421 V434 T447 L450 L451I379-L432 HydrophobicContact CB-CB 4.41Å; I379-L432 PolarHBondContact N-O 3.37Å; I379-L432 PolarHBondContact O-N 2.84Å; F419-L432 HydrophobicContact CB-CD1 4.25Å; L421-L432 HydrophobicContact CD2-CB 3.75Å; L421-L432 HydrophobicContact CD2-CD1 3.59Å; L421-L432 HydrophobicContact CD2-CG 4.23Å; L421-L432 HydrophobicContact CG-CD1 4.03Å; L432-V434 HydrophobicContact CD1-CG2 3.76Å; L432-V434 HydrophobicContact CD2-CG2 4.18Å; L432-V434 HydrophobicContact CG-CG2 3.96Å; L432-T447 HydrophobicContact CD2-CG2 4.38Å; L432-L450 HydrophobicContact CD1-CB 4.41Å; L432-L450 HydrophobicContact CD1-CD1 3.83Å; L432-L450 HydrophobicContact CD2-CB 3.89Å; L432-L450 HydrophobicContact CD2-CD1 4.38Å; L432-L451 HydrophobicContact CD2-CD2 3.89Å; L432-L451 HydrophobicContact CD2-CG 4.03Å
433N98.1Very high91.9Very high0 Ų041.8 Ų41.80%024%0.242CC..EExtended strand (participates in β ladder)trans-131.4133.2167.8-66105.7000109.3R288 L289 M329 G377 E378 F419 N420R288-N433 HydrophobicContact CB-CB 4.33Å; L289-N433 HydrophobicContact CD2-CB 3.98Å; L289-N433 HydrophobicContact CG-CB 4.09Å; M329-N433 WeakPolarHBondContact CE-ND2 3.49Å; M329-N433 PolarHBondContact SD-ND2 3.01Å; G377-N433 PolarHBondContact O-ND2 3.41Å; E378-N433 WeakPolarHBondContact CA-ND2 3.43Å; E378-N433 PolarHBondContact N-ND2 2.68Å; F419-N433 CarbonylContact C-O 3.32Å; F419-N433 WeakPolarHBondContact CA-O 3.36Å; F419-N433 WeakPolarHBondContact CB-O 3.47Å; N420-N433 PolarHBondContact N-O 2.93Å; N420-N433 PolarHBondContact O-N 2.76Å
434V98.7Very high92.3Very high0 Ų042.9 Ų42.90%024%0.242CC..EExtended strand (participates in β ladder)trans-128.9140.2178.7-171.20000108.8A375 S376 W417 F419 L432 M443 T447 L450A375-V434 CarbonylContact C-O 3.47Å; A375-V434 VanDerWaalsContact CA-O 3.23Å; A375-V434 WeakPolarHBondContact CA-O 3.47Å; S376-V434 PolarHBondContact N-O 3.23Å; S376-V434 PolarHBondContact OG-N 3.42Å; W417-V434 HydrophobicContact CE3-CG1 4.25Å; F419-V434 HydrophobicContact CB-CG2 4.13Å; L432-V434 HydrophobicContact CD1-CG2 3.76Å; L432-V434 HydrophobicContact CD2-CG2 4.18Å; L432-V434 HydrophobicContact CG-CG2 3.96Å; V434-M443 HydrophobicContact CB-CG 4.49Å; V434-M443 HydrophobicContact CG1-CG 4.22Å; V434-T447 WeakPolarHBondContact CB-OG1 3.33Å; V434-T447 WeakPolarHBondContact CG2-OG1 3.36Å; V434-L450 HydrophobicContact CG2-CD1 3.62Å
435E98.7Very high93.1Very high0 Ų043.8 Ų43.80%025%0.251CS..EExtended strand (participates in β ladder)trans-138.3154.4169.356.5-177150.200111.2Y264 L289 S290 W291 P374 W417 R418Y264-E435 PolarHBondContact OH-OE2 3.42Å; L289-E435 HydrophobicContact CD2-CB 3.88Å; L289-E435 HydrophobicContact CD2-CG 4.1Å; S290-E435 PolarHBondContact N-OE1 3.21Å; W291-E435 HydrophobicContact CE3-CG 4.11Å; W291-E435 PolarHBondContact N-OE1 3.12Å; W291-E435 PolarHBondContact N-OE2 3.44Å; P374-E435 VanDerWaalsContact O-CA 3.3Å; P374-E435 WeakPolarHBondContact O-CA 3.26Å; W417-E435 CarbonylContact C-O 3.52Å; W417-E435 VanDerWaalsContact CA-O 3.28Å; W417-E435 WeakPolarHBondContact CA-O 3.47Å; W417-E435 WeakPolarHBondContact CB-O 3.38Å; R418-E435 VanDerWaalsContact CD-OE1 3.27Å; R418-E435 WeakPolarHBondContact CD-OE1 3.46Å; R418-E435 HydrophobicContact CG-CG 3.43Å; R418-E435 VanDerWaalsContact CG-CG 3.43Å; R418-E435 IonicContact CZ-OE1 3.26Å; R418-E435 PolarHBondContact N-O 3.5Å; R418-E435 IonicContact NE-OE1 2.77Å; R418-E435 IonicContact NH1-OE1 3.18Å; R418-E435 PolarHBondContact NH1-OE1 3.12Å; R418-E435 PolarHBondContact O-N 3.04Å; R418-E435 VanDerWaalsContact O-N 3.08Å
436S98.8Very high94.2Very high0 Ų043.5 Ų43.50%024%0.244CC..EExtended strand (participates in β ladder)trans-129.2169.2173.973.10000112.1F373 P374 D416 D439F373-S436 WeakPolarHBondContact CA-O 3.12Å; P374-S436 WeakPolarHBondContact CD-O 3.03Å; P374-S436 VanDerWaalsContact CG-OG 3.27Å; P374-S436 WeakPolarHBondContact CG-OG 3.32Å; P374-S436 PolarHBondContact O-N 2.83Å; D416-S436 CarbonylContact O-C 3.59Å; D416-S436 WeakPolarHBondContact O-CA 3.5Å; D416-S436 WeakPolarHBondContact O-CB 3.32Å; S436-D439 WeakPolarHBondContact CB-O 3.39Å; S436-D439 PolarHBondContact OG-N 2.91Å; S436-D439 PolarHBondContact OG-O 3.34Å
437R98.5Very high95.7Very high120 Ų12041.2 Ų41.245%0.45323%0.23SC..SBendtrans-92.593.6172.7-63-173.3179.1-81.6-4.7109.7W291 D416 D439W291-R437 HydrophobicContact CE3-CG 3.84Å; W291-R437 HydrophobicContact CH2-CG 4.03Å; W291-R437 HydrophobicContact CZ3-CG 3.46Å; W291-R437 VanDerWaalsContact CZ3-CG 3.46Å; D416-R437 PolarHBondContact O-N 2.91Å; R437-D439 PolarHBondContact O-N 3.39Å
438G98.3Very high97Very high50 Ų5044.3 Ų44.352%0.51524%0.239SC..SBendtrans68.313172.900000115.8A371 A372A371-G438 WeakPolarHBondContact O-CA 3.35Å; A372-G438 PolarHBondContact O-N 3.33Å
439D98.6Very high97.7Very high65 Ų6541.2 Ų41.235%0.34822%0.218SC..  trans-129.488.8-170.2-169.2-23.2000111.5S436 R437 P441 L442 M443S436-D439 WeakPolarHBondContact CB-O 3.39Å; S436-D439 PolarHBondContact OG-N 2.91Å; S436-D439 PolarHBondContact OG-O 3.34Å; R437-D439 PolarHBondContact O-N 3.39Å; D439-P441 WeakPolarHBondContact OD1-CD 3.46Å; D439-L442 HydrophobicContact CB-CB 3.84Å; D439-L442 HydrophobicContact CB-CD2 4.41Å; D439-L442 PolarHBondContact O-N 3.48Å; D439-L442 WeakPolarHBondContact OD1-CB 3.44Å; D439-L442 PolarHBondContact OD1-N 3.42Å; D439-L442 WeakPolarHBondContact OD2-CB 3.36Å; D439-M443 PolarHBondContact O-N 3.42Å
440V98.2Very high98.1Very high66 Ų6640.8 Ų40.840%0.422%0.215SC..Hα-helixtrans-60.2-48.6177.31780000111.7P374 L442 M443 E444P374-V440 HydrophobicContact CB-CG2 3.63Å; P374-V440 HydrophobicContact CG-CG2 3.88Å; V440-L442 VanDerWaalsContact C-N 3.3Å; V440-L442 PolarHBondContact O-N 3.03Å; V440-M443 HydrophobicContact CG1-CE 4.47Å; V440-M443 PolarHBondContact O-N 2.96Å; V440-M443 VanDerWaalsContact O-N 3.16Å; V440-E444 HydrophobicContact CG1-CG 4.3Å; V440-E444 WeakPolarHBondContact O-CG 3.44Å; V440-E444 PolarHBondContact O-N 2.81Å
441P98.6Very high98.2Very high88 Ų8842.8 Ų42.857%0.57123%0.226SC*.Hα-helixtrans-54.7-41.5176.4-2835000114.1D439 A445D439-P441 WeakPolarHBondContact OD1-CD 3.46Å; P441-A445 VanDerWaalsContact O-CB 3.24Å; P441-A445 WeakPolarHBondContact O-CB 3.32Å; P441-A445 PolarHBondContact O-N 2.86Å
442L98.7Very high98.3Very high34 Ų3446.1 Ų46.118%0.17825%0.248CC..Hα-helixtrans-64.3-47.5176.3177.364.2000111.5D416 W417 D439 V440 E444 A445 R446D416-L442 HydrophobicContact CB-CD2 3.81Å; W417-L442 HydrophobicContact CB-CD2 4.06Å; W417-L442 HydrophobicContact CB-CG 4.35Å; W417-L442 HydrophobicContact CG-CD2 4.33Å; W417-L442 HydrophobicContact CG-CG 4.49Å; D439-L442 HydrophobicContact CB-CB 3.84Å; D439-L442 HydrophobicContact CB-CD2 4.41Å; D439-L442 PolarHBondContact O-N 3.48Å; D439-L442 WeakPolarHBondContact OD1-CB 3.44Å; D439-L442 PolarHBondContact OD1-N 3.42Å; D439-L442 WeakPolarHBondContact OD2-CB 3.36Å; V440-L442 VanDerWaalsContact C-N 3.3Å; V440-L442 PolarHBondContact O-N 3.03Å; L442-E444 VanDerWaalsContact C-N 3.31Å; L442-E444 PolarHBondContact O-N 2.9Å; L442-A445 PolarHBondContact O-N 3.36Å; L442-R446 HydrophobicContact CD1-CG 3.8Å; L442-R446 HydrophobicContact CG-CG 4.35Å; L442-R446 WeakPolarHBondContact O-CB 3.35Å; L442-R446 VanDerWaalsContact O-CG 3.31Å; L442-R446 WeakPolarHBondContact O-CG 3.32Å; L442-R446 PolarHBondContact O-N 3.42Å
443M98.5Very high98.3Very high17 Ų1746.5 Ų46.58%0.08425%0.25CS..Hα-helixtrans-56-48.2177.8179.1-79-68.900110.5V434 D439 V440 T447V434-M443 HydrophobicContact CB-CG 4.49Å; V434-M443 HydrophobicContact CG1-CG 4.22Å; D439-M443 PolarHBondContact O-N 3.42Å; V440-M443 HydrophobicContact CG1-CE 4.47Å; V440-M443 PolarHBondContact O-N 2.96Å; V440-M443 VanDerWaalsContact O-N 3.16Å; M443-T447 WeakPolarHBondContact O-CB 3.49Å; M443-T447 PolarHBondContact O-N 2.83Å; M443-T447 PolarHBondContact O-OG1 3.33Å
444E98.4Very high98.3Very high90 Ų9046.7 Ų46.742%0.42125%0.251SS..Hα-helixtrans-66.3-42.9179.3-68.7-176.3175.200112.7V440 L442 T447 R448V440-E444 HydrophobicContact CG1-CG 4.3Å; V440-E444 WeakPolarHBondContact O-CG 3.44Å; V440-E444 PolarHBondContact O-N 2.81Å; L442-E444 VanDerWaalsContact C-N 3.31Å; L442-E444 PolarHBondContact O-N 2.9Å; E444-T447 PolarHBondContact O-N 3.3Å; E444-R448 WeakPolarHBondContact O-CG 3.49Å; E444-R448 PolarHBondContact O-N 3.48Å; E444-R448 IonicContact OE2-NH1 3.49Å; E444-R448 PolarHBondContact OE2-NH1 3.38Å
445A98.6Very high98Very high36 Ų3651.8 Ų51.830%0.29828%0.278SS..Hα-helixtrans-62.2-46179.700000111.3P441 L442 R448 T449P441-A445 VanDerWaalsContact O-CB 3.24Å; P441-A445 WeakPolarHBondContact O-CB 3.32Å; P441-A445 PolarHBondContact O-N 2.86Å; L442-A445 PolarHBondContact O-N 3.36Å; A445-R448 PolarHBondContact O-N 3.24Å; A445-T449 PolarHBondContact O-N 3.02Å; A445-T449 PolarHBondContact O-OG1 2.58Å
446R98.4Very high97.6Very high68 Ų6858.3 Ų58.326%0.25731%0.309SS..Hα-helixtrans-68.3-37.3177.9-64.8-60.6-175.6176.85.1112.1W417 L442 R448 T449 L450W417-R446 HydrophobicContact CD2-CB 4.06Å; W417-R446 HydrophobicContact CD2-CG 3.63Å; W417-R446 HydrophobicContact CE3-CB 3.63Å; W417-R446 HydrophobicContact CE3-CG 3.77Å; W417-R446 HydrophobicContact CG-CG 4.17Å; W417-R446 HydrophobicContact CH2-CB 4.12Å; W417-R446 HydrophobicContact CH2-CG 4.12Å; W417-R446 HydrophobicContact CZ2-CG 4Å; W417-R446 HydrophobicContact CZ3-CB 3.65Å; W417-R446 HydrophobicContact CZ3-CG 3.99Å; L442-R446 HydrophobicContact CD1-CG 3.8Å; L442-R446 HydrophobicContact CG-CG 4.35Å; L442-R446 WeakPolarHBondContact O-CB 3.35Å; L442-R446 VanDerWaalsContact O-CG 3.31Å; L442-R446 WeakPolarHBondContact O-CG 3.32Å; L442-R446 PolarHBondContact O-N 3.42Å; R446-R448 VanDerWaalsContact C-N 3.34Å; R446-R448 PolarHBondContact O-N 2.89Å; R446-T449 PolarHBondContact O-N 2.89Å; R446-L450 WeakPolarHBondContact O-CB 3.45Å; R446-L450 WeakPolarHBondContact O-CD1 3.43Å; R446-L450 VanDerWaalsContact O-CG 3.28Å; R446-L450 WeakPolarHBondContact O-CG 3.48Å; R446-L450 PolarHBondContact O-N 3.44Å
447T98.6Very high97.5Very high12 Ų1261.2 Ų61.27%0.07432%0.324CS..Hα-helixtrans-56.9-47.8171.5-59.60000111.1I379 L432 V434 M443 E444 T449 L450 L451I379-T447 HydrophobicContact CD1-CG2 3.46Å; I379-T447 VanDerWaalsContact CD1-CG2 3.46Å; L432-T447 HydrophobicContact CD2-CG2 4.38Å; V434-T447 WeakPolarHBondContact CB-OG1 3.33Å; V434-T447 WeakPolarHBondContact CG2-OG1 3.36Å; M443-T447 WeakPolarHBondContact O-CB 3.49Å; M443-T447 PolarHBondContact O-N 2.83Å; M443-T447 PolarHBondContact O-OG1 3.33Å; E444-T447 PolarHBondContact O-N 3.3Å; T447-T449 PolarHBondContact O-N 3.02Å; T447-L450 PolarHBondContact O-N 2.98Å; T447-L451 HydrophobicContact CG2-CD1 4.07Å; T447-L451 VanDerWaalsContact O-CG 3.31Å; T447-L451 WeakPolarHBondContact O-CG 3.44Å; T447-L451 PolarHBondContact O-N 3.33Å
448R98.5Very high97.5Very high138 Ų13858.1 Ų58.152%0.52132%0.317SS..Hα-helixtrans-60.1-47.1176.4-72.7-177.1-68-98.20.2112.1E444 A445 R446 L450 L451 T452E444-R448 WeakPolarHBondContact O-CG 3.49Å; E444-R448 PolarHBondContact O-N 3.48Å; E444-R448 IonicContact OE2-NH1 3.49Å; E444-R448 PolarHBondContact OE2-NH1 3.38Å; A445-R448 PolarHBondContact O-N 3.24Å; R446-R448 VanDerWaalsContact C-N 3.34Å; R446-R448 PolarHBondContact O-N 2.89Å; R448-L450 PolarHBondContact O-N 2.81Å; R448-L451 PolarHBondContact O-N 2.89Å; R448-T452 PolarHBondContact O-N 2.93Å; R448-T452 PolarHBondContact O-OG1 3.33Å
449T98.2Very high97.4Very high51 Ų5158.6 Ų58.631%0.31331%0.306SS..Hα-helixtrans-58.9-45.6177.7-57.40000112.1F397 A445 R446 T447 L451 T452 L453F397-T449 HydrophobicContact CZ-CG2 3.97Å; A445-T449 PolarHBondContact O-N 3.02Å; A445-T449 PolarHBondContact O-OG1 2.58Å; R446-T449 PolarHBondContact O-N 2.89Å; T447-T449 PolarHBondContact O-N 3.02Å; T449-L451 PolarHBondContact O-N 2.85Å; T449-T452 PolarHBondContact O-N 3.45Å; T449-L453 HydrophobicContact CG2-CD1 4.18Å; T449-L453 WeakPolarHBondContact O-CG 3.39Å; T449-L453 PolarHBondContact O-N 3.44Å; T449-L453 VanDerWaalsContact O-N 3.07Å
450L98.3Very high97.4Very high0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-61.3-44.6178-74163.6000111.5V393 F397 W417 F419 L432 V434 R446 T447 R448 T452 L453 L454V393-L450 HydrophobicContact CG1-CD2 3.38Å; F397-L450 HydrophobicContact CD2-CD2 4.24Å; F397-L450 HydrophobicContact CE2-CD2 3.63Å; F397-L450 HydrophobicContact CE2-CG 4.32Å; F397-L450 HydrophobicContact CZ-CD2 4.46Å; W417-L450 HydrophobicContact CZ3-CD1 4.02Å; F419-L450 HydrophobicContact CB-CD1 3.87Å; F419-L450 HydrophobicContact CD1-CD1 4.05Å; F419-L450 HydrophobicContact CD1-CD2 4.04Å; F419-L450 HydrophobicContact CD2-CD2 4.35Å; F419-L450 HydrophobicContact CE1-CD2 3.94Å; F419-L450 HydrophobicContact CE2-CD2 4.3Å; F419-L450 HydrophobicContact CG-CD1 3.93Å; F419-L450 HydrophobicContact CG-CD2 4.22Å; F419-L450 HydrophobicContact CZ-CD2 4.08Å; L432-L450 HydrophobicContact CD1-CB 4.41Å; L432-L450 HydrophobicContact CD1-CD1 3.83Å; L432-L450 HydrophobicContact CD2-CB 3.89Å; L432-L450 HydrophobicContact CD2-CD1 4.38Å; V434-L450 HydrophobicContact CG2-CD1 3.62Å; R446-L450 WeakPolarHBondContact O-CB 3.45Å; R446-L450 WeakPolarHBondContact O-CD1 3.43Å; R446-L450 VanDerWaalsContact O-CG 3.28Å; R446-L450 WeakPolarHBondContact O-CG 3.48Å; R446-L450 PolarHBondContact O-N 3.44Å; T447-L450 PolarHBondContact O-N 2.98Å; R448-L450 PolarHBondContact O-N 2.81Å; L450-T452 VanDerWaalsContact C-N 3.33Å; L450-T452 PolarHBondContact O-N 2.73Å; L450-L453 PolarHBondContact O-N 3.18Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.25Å; L450-L454 PolarHBondContact O-N 3.07Å
451L97.6Very high97.3Very high44 Ų4457.7 Ų57.723%0.2330%0.298CS..Hα-helixtrans-64.4-36.7177.3-69.5173.2000112.4I379 L432 T447 R448 T449 L454 N455I379-L451 HydrophobicContact CD1-CD1 4.3Å; I379-L451 HydrophobicContact CG2-CD2 3.92Å; L432-L451 HydrophobicContact CD2-CD2 3.89Å; L432-L451 HydrophobicContact CD2-CG 4.03Å; T447-L451 HydrophobicContact CG2-CD1 4.07Å; T447-L451 VanDerWaalsContact O-CG 3.31Å; T447-L451 WeakPolarHBondContact O-CG 3.44Å; T447-L451 PolarHBondContact O-N 3.33Å; R448-L451 PolarHBondContact O-N 2.89Å; T449-L451 PolarHBondContact O-N 2.85Å; L451-L454 HydrophobicContact CD2-CD1 4.47Å; L451-L454 PolarHBondContact O-N 2.63Å; L451-N455 PolarHBondContact O-N 3.06Å; L451-N455 PolarHBondContact O-ND2 2.92Å
452T97.6Very high97.2Very high88 Ų8855.7 Ų55.754%0.5428%0.28SS..Hα-helixtrans-61-51.3173.2-60.70000110.8R448 T449 L450 L454 N455 E456R448-T452 PolarHBondContact O-N 2.93Å; R448-T452 PolarHBondContact O-OG1 3.33Å; T449-T452 PolarHBondContact O-N 3.45Å; L450-T452 VanDerWaalsContact C-N 3.33Å; L450-T452 PolarHBondContact O-N 2.73Å; T452-L454 VanDerWaalsContact C-N 3.28Å; T452-L454 PolarHBondContact O-N 2.81Å; T452-N455 PolarHBondContact O-N 3.01Å; T452-E456 PolarHBondContact O-N 3.04Å
453L97.2Very high97.1Very high10 Ų1057.2 Ų57.25%0.05229%0.287CS..Hα-helixtrans-62.1-33.1-179.6-70.5167.7000113.4R392 V393 H396 F397 T449 L450 N455R392-L453 WeakPolarHBondContact CD-O 3.16Å; R392-L453 PolarHBondContact NE-O 3Å; V393-L453 HydrophobicContact CG2-CB 3.74Å; V393-L453 HydrophobicContact CG2-CD1 4.49Å; H396-L453 HydrophobicContact CB-CD1 3.94Å; H396-L453 HydrophobicContact CB-CD2 4.44Å; F397-L453 HydrophobicContact CE2-CD1 3.72Å; F397-L453 HydrophobicContact CZ-CD1 4.24Å; T449-L453 HydrophobicContact CG2-CD1 4.18Å; T449-L453 WeakPolarHBondContact O-CG 3.39Å; T449-L453 PolarHBondContact O-N 3.44Å; T449-L453 VanDerWaalsContact O-N 3.07Å; L450-L453 PolarHBondContact O-N 3.18Å; L453-N455 VanDerWaalsContact C-N 3.29Å; L453-N455 PolarHBondContact O-N 2.78Å
454L96.4Very high97Very high3 Ų360.3 Ų60.32%0.01630%0.303CS..Hα-helixtrans-69.2-26.7176.5-75.1173.6000113.3L383 A389 V393 L421 V430 L450 L451 T452L383-L454 HydrophobicContact CD1-CB 4.13Å; L383-L454 HydrophobicContact CD1-CD2 4.05Å; L383-L454 WeakPolarHBondContact CD2-O 3.46Å; A389-L454 HydrophobicContact CB-CD2 4.07Å; V393-L454 HydrophobicContact CG2-CD2 3.88Å; V393-L454 HydrophobicContact CG2-CG 4.03Å; L421-L454 HydrophobicContact CD1-CD2 4.16Å; L421-L454 HydrophobicContact CD2-CD1 3.88Å; L421-L454 HydrophobicContact CD2-CD2 4.31Å; V430-L454 HydrophobicContact CG1-CD2 4.4Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.25Å; L450-L454 PolarHBondContact O-N 3.07Å; L451-L454 HydrophobicContact CD2-CD1 4.47Å; L451-L454 PolarHBondContact O-N 2.63Å; T452-L454 VanDerWaalsContact C-N 3.28Å; T452-L454 PolarHBondContact O-N 2.81Å
455N93.1Very high96.9Very high108 Ų10857.8 Ų57.858%0.57829%0.293SS*.Hα-helixtrans-102.7-1.5-175.1-71.9-68.7000114.1L451 T452 L453L451-N455 PolarHBondContact O-N 3.06Å; L451-N455 PolarHBondContact O-ND2 2.92Å; T452-N455 PolarHBondContact O-N 3.01Å; L453-N455 VanDerWaalsContact C-N 3.29Å; L453-N455 PolarHBondContact O-N 2.78Å
456E90.4Very high96.8Very high136 Ų13659.8 Ų59.864%0.63629%0.292SS*.  trans-67.20164.5-72.5175.2-164.200111.3R392 T452R392-E456 WeakPolarHBondContact CD-OE2 3.21Å; R392-E456 VanDerWaalsContact CZ-OXT 3.31Å; R392-E456 IonicContact NE-OE2 2.99Å; R392-E456 PolarHBondContact NE-OXT 3.15Å; R392-E456 PolarHBondContact NH2-OXT 3Å; T452-E456 PolarHBondContact O-N 3.04Å

Retrieved 456 of 456 residues in 686.5 ms (Link to these results)

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