A0A093HLN9_STRCA Loading...

Pleckstrin homology domain-containing family A member 1

Binds specifically to phosphatidylinositol 3,4-diphosphate (PtdIns3,4P2), but not to other phosphoinositides. May recruit other proteins to the plasma membrane.

AlphaFold DB , UniProt , Accession A0A093HLN9, Species STRCA (Struthio camelus australis), Gene n/a, Length 411 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
1M79.9Confident90.8Very high106 Ų10680.7 Ų80.752%0.52237%0.374SS..  0129.60-65.3174.471.900109.1Q98 D99 E102M1-Q98 HydrophobicContact CE-CG 3.58Å; M1-Q98 HydrophobicContact CG-CG 4.45Å; M1-Q98 HydrophobicContact SD-CG 4.07Å; M1-D99 WeakPolarHBondContact CA-OD1 3.37Å; M1-D99 HydrophobicContact CG-CB 4.23Å; M1-D99 PolarHBondContact N-OD1 3.41Å; M1-D99 PolarHBondContact N-OD2 3.1Å; M1-E102 VanDerWaalsContact CE-CD 3.43Å; M1-E102 WeakPolarHBondContact CE-OE1 3.45Å; M1-E102 VanDerWaalsContact CE-OE2 3.29Å; M1-E102 WeakPolarHBondContact CE-OE2 3.48Å
2P91.6Very high91.2Very high18 Ų1874.3 Ų74.312%0.11735%0.346CS..  trans-61.9144172.126.6-32.3000110.3I10 C11 D99 E102 W103P2-I10 HydrophobicContact CB-CG2 3.72Å; P2-C11 CarbonylContact C-O 3.57Å; P2-C11 WeakPolarHBondContact CA-O 3.42Å; P2-D99 WeakPolarHBondContact CD-OD1 3.5Å; P2-E102 WeakPolarHBondContact CD-OE2 3.18Å; P2-E102 HydrophobicContact CG-CB 3.64Å; P2-W103 HydrophobicContact CB-CD2 4.05Å; P2-W103 HydrophobicContact CB-CG 4.49Å; P2-W103 HydrophobicContact CB-CH2 4.42Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.23Å; P2-W103 HydrophobicContact CG-CG 4.18Å
3Y93.4Very high91.5Very high108 Ų10872.7 Ų72.742%0.42434%0.337SS..EExtended strand (participates in β ladder)trans-133.8165176.663.8-93.9000110.7I10 C11 Y29Y3-I10 CarbonylContact O-C 3.47Å; Y3-C11 HydrophobicContact CE2-CB 4.42Å; Y3-C11 PolarHBondContact N-O 2.88Å; Y3-C11 PolarHBondContact O-N 3.26Å; Y3-Y29 WeakPolarHBondContact OH-CE2 3.4Å; Y3-Y29 PolarHBondContact OH-OH 3.31Å
4V93.3Very high91.8Very high87 Ų8767.6 Ų67.653%0.52731%0.314SS..EExtended strand (participates in β ladder)trans-91.9127.2179.6-177.60000109.9N8 R9 I10V4-N8 HydrophobicContact CG1-CB 4.44Å; V4-R9 CarbonylContact C-O 3.56Å; V4-R9 VanDerWaalsContact CA-O 3.31Å; V4-R9 WeakPolarHBondContact CA-O 3.43Å; V4-I10 HydrophobicContact CG2-CG1 4.49Å
5D90.3Very high92Very high19 Ų1964 Ų6410%0.10230%0.298CS..  trans-79.8177.8174.977.74.3000112.7Q7 N8 R9 C11D5-Q7 PolarHBondContact O-N 3.49Å; D5-Q7 VanDerWaalsContact O-N 3.11Å; D5-Q7 VanDerWaalsContact OD1-CA 3.29Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.42Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.33Å; D5-Q7 PolarHBondContact OD1-N 3.3Å; D5-Q7 PolarHBondContact OD2-OE1 2.8Å; D5-N8 PolarHBondContact O-N 3.1Å; D5-N8 PolarHBondContact OD1-N 3.09Å; D5-R9 PolarHBondContact N-O 3.05Å; D5-R9 WeakPolarHBondContact OD1-CB 3.32Å; D5-R9 PolarHBondContact OD1-N 3.3Å; D5-R9 IonicContact OD1-NE 3.77Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.92Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.79Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å; D5-C11 PolarHBondContact OD2-SG 3.47Å
6R88.3Confident92.1Very high220 Ų22060 Ų6083%0.8328%0.279SS*.THydrogen-bonded Turntrans-64.7-14.5179.5-64.3-177.3-176.8168.20.5113.8
7Q88.1Confident92.2Very high96 Ų9656.5 Ų56.545%0.44926%0.263SS..THydrogen-bonded Turntrans-96.710.4177.5-67.876.844.800112D5 R9D5-Q7 PolarHBondContact O-N 3.49Å; D5-Q7 VanDerWaalsContact O-N 3.11Å; D5-Q7 VanDerWaalsContact OD1-CA 3.29Å; D5-Q7 WeakPolarHBondContact OD1-CA 3.42Å; D5-Q7 WeakPolarHBondContact OD1-CB 3.33Å; D5-Q7 PolarHBondContact OD1-N 3.3Å; D5-Q7 PolarHBondContact OD2-OE1 2.8Å; Q7-R9 VanDerWaalsContact C-N 3.26Å; Q7-R9 HydrophobicContact CB-CG 4.17Å; Q7-R9 PolarHBondContact O-N 2.98Å
8N89.3Confident91.8Very high135 Ų13555.8 Ų55.872%0.72226%0.259SS*.SBendtrans61.129.4-175-64.7-54.1000114V4 D5V4-N8 HydrophobicContact CG1-CB 4.44Å; D5-N8 PolarHBondContact O-N 3.1Å; D5-N8 PolarHBondContact OD1-N 3.09Å
9R93.6Very high91.4Very high61 Ų6158.7 Ų58.723%0.2328%0.277CS..  trans-100.5149.5175-55.3176.8-58.5179.83109.9V4 D5 Q7 C11 I31 D33V4-R9 CarbonylContact C-O 3.56Å; V4-R9 VanDerWaalsContact CA-O 3.31Å; V4-R9 WeakPolarHBondContact CA-O 3.43Å; D5-R9 PolarHBondContact N-O 3.05Å; D5-R9 WeakPolarHBondContact OD1-CB 3.32Å; D5-R9 PolarHBondContact OD1-N 3.3Å; D5-R9 IonicContact OD1-NE 3.77Å; D5-R9 IonicContact OD2-CZ 3.3Å; D5-R9 VanDerWaalsContact OD2-CZ 3.3Å; D5-R9 IonicContact OD2-NE 2.92Å; D5-R9 PolarHBondContact OD2-NE 2.99Å; D5-R9 IonicContact OD2-NH2 2.79Å; D5-R9 PolarHBondContact OD2-NH2 3.19Å; Q7-R9 VanDerWaalsContact C-N 3.26Å; Q7-R9 HydrophobicContact CB-CG 4.17Å; Q7-R9 PolarHBondContact O-N 2.98Å; R9-C11 PolarHBondContact O-SG 2.87Å; R9-I31 HydrophobicContact CB-CG2 4.05Å; R9-D33 WeakPolarHBondContact CD-OD2 3.16Å; R9-D33 HydrophobicContact CG-CB 4.46Å
10I95.1Very high90.8Very high38 Ų3860.4 Ų60.420%0.19529%0.285CS..EExtended strand (participates in β ladder)trans-88.1123.2179.8-60.3173.4000108.2P2 Y3 V4 L32 V106P2-I10 HydrophobicContact CB-CG2 3.72Å; Y3-I10 CarbonylContact O-C 3.47Å; V4-I10 HydrophobicContact CG2-CG1 4.49Å; I10-L32 HydrophobicContact CB-CB 4.17Å; I10-L32 HydrophobicContact CB-CD2 4.33Å; I10-L32 HydrophobicContact CD1-CD2 4.29Å; I10-L32 PolarHBondContact N-O 3.46Å; I10-L32 WeakPolarHBondContact O-CB 3.22Å; I10-L32 PolarHBondContact O-N 2.84Å; I10-V106 HydrophobicContact CD1-CB 3.76Å; I10-V106 HydrophobicContact CD1-CG1 3.8Å; I10-V106 HydrophobicContact CD1-CG2 4.5Å; I10-V106 HydrophobicContact CG2-CB 4.43Å; I10-V106 HydrophobicContact CG2-CG1 4.46Å; I10-V106 HydrophobicContact CG2-CG2 4.09Å
11C96Very high90.3Very high0 Ų063.1 Ų63.10%030%0.301CS..EExtended strand (participates in β ladder)trans-135.6154.5-169.3-54.30000111.5P2 Y3 D5 R9 Y29 F30 I31P2-C11 CarbonylContact C-O 3.57Å; P2-C11 WeakPolarHBondContact CA-O 3.42Å; Y3-C11 HydrophobicContact CE2-CB 4.42Å; Y3-C11 PolarHBondContact N-O 2.88Å; Y3-C11 PolarHBondContact O-N 3.26Å; D5-C11 PolarHBondContact OD2-SG 3.47Å; R9-C11 PolarHBondContact O-SG 2.87Å; C11-Y29 HydrophobicContact CB-CE1 4.01Å; C11-Y29 VanDerWaalsContact CB-OH 3.27Å; C11-Y29 WeakPolarHBondContact CB-OH 3.44Å; C11-F30 CarbonylContact C-O 3.52Å; C11-F30 WeakPolarHBondContact CA-O 3.37Å; C11-I31 HydrophobicContact CB-CG1 4.46Å
12G95.3Very high90.5Very high3 Ų360.9 Ų60.93%0.03130%0.296CS..EExtended strand (participates in β ladder)trans166.9174.217300000113.2F30G12-F30 PolarHBondContact N-O 3.45Å; G12-F30 PolarHBondContact O-N 3.48Å
13F95.1Very high90.1Very high54 Ų5462.5 Ų62.524%0.23732%0.316CS..EExtended strand (participates in β ladder)trans-90134.3177-72.6-82.1000111.5R27 R28 Y29 N95F13-R27 HydrophobicContact CD1-CG 3.99Å; F13-R28 WeakPolarHBondContact CA-O 3.14Å; F13-Y29 HydrophobicContact CD1-CD2 4.19Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CE2 4.47Å; F13-Y29 AromaticContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CE2 4.19Å; F13-Y29 HydrophobicContact CG-CD2 4.18Å; F13-Y29 AromaticContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CG 4.42Å; F13-N95 PolarHBondContact O-ND2 2.95Å
14L95.8Very high89.7Confident1 Ų161.1 Ų61.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-135.2155.8168.4-68.8170.6000108.6R28 F30 F81 L92 A94 W103L14-R28 PolarHBondContact N-O 3.13Å; L14-R28 PolarHBondContact O-N 3.15Å; L14-R28 VanDerWaalsContact O-O 3.1Å; L14-F30 HydrophobicContact CB-CD2 3.67Å; L14-F30 HydrophobicContact CB-CE2 3.64Å; L14-F30 HydrophobicContact CD1-CD2 4.02Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; L14-F81 HydrophobicContact CD1-CE1 4.29Å; L14-F81 HydrophobicContact CD1-CZ 3.81Å; L14-F81 HydrophobicContact CD2-CE1 4.01Å; L14-F81 HydrophobicContact CD2-CZ 4.37Å; L14-L92 HydrophobicContact CB-CD2 4.47Å; L14-L92 HydrophobicContact CD1-CD2 3.78Å; L14-A94 HydrophobicContact CD2-CB 4.08Å; L14-W103 HydrophobicContact CD1-CD2 3.67Å; L14-W103 HydrophobicContact CD1-CE3 4.02Å; L14-W103 HydrophobicContact CD1-CG 4.03Å; L14-W103 HydrophobicContact CD1-CH2 4.38Å; L14-W103 HydrophobicContact CD1-CZ2 4.04Å; L14-W103 HydrophobicContact CD1-CZ3 4.37Å; L14-W103 VanDerWaalsContact CD2-CD1 3.49Å; L14-W103 HydrophobicContact CD2-CD2 4.32Å; L14-W103 HydrophobicContact CD2-CG 3.97Å; L14-W103 HydrophobicContact CG-CD2 4.18Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.13Å
15D94.8Very high89.7Confident14 Ų1457.8 Ų57.88%0.07529%0.291CS..EExtended strand (participates in β ladder)trans-100126.1171.8-45.3-40.2000108.5F25 L26 R27 L92 Q93D15-F25 HydrophobicContact CB-CB 3.98Å; D15-L26 CarbonylContact C-O 3.35Å; D15-L26 WeakPolarHBondContact CA-O 3.43Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.35Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.47Å; D15-R27 IonicContact OD1-CZ 3.89Å; D15-R27 IonicContact OD1-NH1 2.92Å; D15-R27 PolarHBondContact OD1-NH1 3.48Å; D15-R27 IonicContact OD2-NH1 3.65Å; D15-L92 CarbonylContact O-C 3.55Å; D15-L92 VanDerWaalsContact O-CA 3.3Å; D15-L92 WeakPolarHBondContact O-CA 2.82Å; D15-Q93 HydrophobicContact CB-CB 4.24Å; D15-Q93 PolarHBondContact N-O 3.32Å; D15-Q93 PolarHBondContact O-N 2.72Å
16I94.4Very high89.8Confident0 Ų057.6 Ų57.60%029%0.29CS..EExtended strand (participates in β ladder)trans-118.5136.4-172.6-179.6165.9000111.5E18 F25 L26 R28 F30 W41 Y90 L92I16-E18 HydrophobicContact CG1-CG 4.45Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 3.03Å; I16-F25 WeakPolarHBondContact O-CA 3.44Å; I16-L26 WeakPolarHBondContact CG2-O 3.28Å; I16-L26 PolarHBondContact N-O 3.39Å; I16-L26 PolarHBondContact O-N 2.65Å; I16-R28 HydrophobicContact CG2-CB 4.23Å; I16-R28 HydrophobicContact CG2-CG 3.57Å; I16-F30 HydrophobicContact CB-CE2 4.4Å; I16-F30 HydrophobicContact CB-CZ 3.94Å; I16-F30 HydrophobicContact CD1-CE1 4.27Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.97Å; I16-W41 HydrophobicContact CD1-CZ2 4.26Å; I16-Y90 HydrophobicContact CD1-CD1 3.99Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CB-CG 4.49Å; I16-L92 HydrophobicContact CD1-CD2 4.26Å; I16-L92 HydrophobicContact CD1-CG 4.45Å; I16-L92 HydrophobicContact CG1-CG 4.35Å
17E92.7Very high90Very high1 Ų150 Ų501%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-83.787.2168.1-162.7-174.2163.900108.4N19 N21 S22 G23 F25 R74 F91E17-N19 VanDerWaalsContact C-N 3.31Å; E17-N19 WeakPolarHBondContact CG-O 3.45Å; E17-N19 PolarHBondContact O-N 2.93Å; E17-N21 VanDerWaalsContact OE1-C 3.27Å; E17-N21 WeakPolarHBondContact OE1-CA 3.47Å; E17-N21 PolarHBondContact OE1-N 3.23Å; E17-S22 WeakPolarHBondContact CG-OG 3.41Å; E17-S22 PolarHBondContact OE1-N 3.42Å; E17-G23 PolarHBondContact OE1-N 3.1Å; E17-F25 HydrophobicContact CB-CD1 4.14Å; E17-F25 HydrophobicContact CB-CE1 3.85Å; E17-F25 HydrophobicContact CB-CZ 4.06Å; E17-R74 IonicContact OE1-NH2 3.53Å; E17-R74 PolarHBondContact OE1-NH2 2.88Å; E17-R74 IonicContact OE2-CZ 3.85Å; E17-R74 IonicContact OE2-NE 3.79Å; E17-R74 IonicContact OE2-NH2 3.41Å; E17-R74 PolarHBondContact OE2-NH2 3.16Å; E17-R74 VanDerWaalsContact OE2-NH2 3.15Å; E17-F91 HydrophobicContact CB-CB 4.04Å; E17-F91 PolarHBondContact N-O 2.77Å
18E85.9Confident90.4Very high43 Ų4345.6 Ų45.620%0.20124%0.24CC..  trans-64.5-36-174.7-65.9-176.2175.900112.5I16 R28 V56 R88I16-E18 HydrophobicContact CG1-CG 4.45Å; I16-E18 HydrophobicContact CG2-CG 3.94Å; I16-E18 PolarHBondContact O-N 3.03Å; E18-R28 IonicContact OE1-CZ 3.66Å; E18-R28 IonicContact OE1-NE 2.74Å; E18-R28 PolarHBondContact OE1-NE 3.18Å; E18-R28 IonicContact OE1-NH2 3.4Å; E18-R28 PolarHBondContact OE1-NH2 3.32Å; E18-R28 VanDerWaalsContact OE1-NH2 3.09Å; E18-R28 IonicContact OE2-NH2 2.68Å; E18-V56 WeakPolarHBondContact OE1-CG1 3.43Å; E18-R88 PolarHBondContact O-NH2 3.04Å
19N83.6Confident90.6Very high112 Ų11239.4 Ų39.460%0.59921%0.207SC*.SBendtrans-102.5117.5175.8-67.276.7000109.5E17 N21 S22E17-N19 VanDerWaalsContact C-N 3.31Å; E17-N19 WeakPolarHBondContact CG-O 3.45Å; E17-N19 PolarHBondContact O-N 2.93Å; N19-N21 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-CB 3.29Å; N19-S22 WeakPolarHBondContact O-CB 3.43Å; N19-S22 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-N 3.1Å; N19-S22 PolarHBondContact O-OG 2.8Å
20E80.6Confident90.8Very high91 Ų9136.5 Ų36.543%0.42520%0.196SC..THydrogen-bonded Turntrans-56.2131.8179.7-157.7-179.1174.700110.6S22E20-S22 PolarHBondContact O-N 2.93Å
21N79.9Confident90.8Very high118 Ų11834.8 Ų34.863%0.63119%0.187SC*.THydrogen-bonded Turntrans67.88.9-179.1-56.495.1000116.2E17 N19 G23E17-N21 VanDerWaalsContact OE1-C 3.27Å; E17-N21 WeakPolarHBondContact OE1-CA 3.47Å; E17-N21 PolarHBondContact OE1-N 3.23Å; N19-N21 PolarHBondContact O-N 2.79Å; N21-G23 PolarHBondContact O-N 2.79Å
22S84.3Confident90.8Very high59 Ų5934.8 Ų34.841%0.41319%0.187SC..  trans-66.4-29.9172.564.20000112.4E17 N19 E20 K24E17-S22 WeakPolarHBondContact CG-OG 3.41Å; E17-S22 PolarHBondContact OE1-N 3.42Å; N19-S22 VanDerWaalsContact O-CB 3.29Å; N19-S22 WeakPolarHBondContact O-CB 3.43Å; N19-S22 PolarHBondContact O-N 2.79Å; N19-S22 VanDerWaalsContact O-N 3.1Å; N19-S22 PolarHBondContact O-OG 2.8Å; E20-S22 PolarHBondContact O-N 2.93Å; S22-K24 PolarHBondContact O-N 2.88Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.83Å
23G81.8Confident90.7Very high53 Ų5335.6 Ų35.655%0.54619%0.191SC..  trans64.66.8-17000000114E17 N21E17-G23 PolarHBondContact OE1-N 3.1Å; N21-G23 PolarHBondContact O-N 2.79Å
24K86.8Confident90.4Very high78 Ų7837 Ų3734%0.33920%0.204SC..  trans-101.2119.3178.4179.2169.4176.31490109S22 D252S22-K24 PolarHBondContact O-N 2.88Å; S22-K24 VanDerWaalsContact O-N 3.16Å; S22-K24 PolarHBondContact OG-N 2.83Å; K24-D252 VanDerWaalsContact CD-OD1 3.32Å; K24-D252 WeakPolarHBondContact CD-OD1 3.48Å; K24-D252 WeakPolarHBondContact CE-OD1 3.3Å; K24-D252 IonicContact NZ-OD1 3.15Å; K24-D252 PolarHBondContact NZ-OD1 2.87Å
25F91.4Very high90Very high17 Ų1746.8 Ų46.88%0.07524%0.241CC..  trans-98.3138.9177-71.3-96.4000109.9D15 I16 E17 A77 F91 Q93 M255D15-F25 HydrophobicContact CB-CB 3.98Å; I16-F25 WeakPolarHBondContact O-CA 3.44Å; E17-F25 HydrophobicContact CB-CD1 4.14Å; E17-F25 HydrophobicContact CB-CE1 3.85Å; E17-F25 HydrophobicContact CB-CZ 4.06Å; F25-A77 HydrophobicContact CE2-CB 4.13Å; F25-A77 HydrophobicContact CZ-CB 4.05Å; F25-F91 HydrophobicContact CE1-CB 4.14Å; F25-F91 HydrophobicContact CZ-CB 4.21Å; F25-Q93 HydrophobicContact CD1-CB 4.15Å; F25-Q93 HydrophobicContact CE1-CB 4.24Å; F25-M255 HydrophobicContact CB-CE 4.1Å; F25-M255 HydrophobicContact CB-SD 3.69Å
26L92.6Very high89.8Confident15 Ų1552.6 Ų52.68%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-120.5128.5177.8-65.2175.4000109D15 I16 R28 D257D15-L26 CarbonylContact C-O 3.35Å; D15-L26 WeakPolarHBondContact CA-O 3.43Å; I16-L26 WeakPolarHBondContact CG2-O 3.28Å; I16-L26 PolarHBondContact N-O 3.39Å; I16-L26 PolarHBondContact O-N 2.65Å; L26-R28 PolarHBondContact O-N 2.85Å; L26-D257 HydrophobicContact CD1-CB 4.21Å; L26-D257 HydrophobicContact CD2-CB 3.98Å
27R93.8Very high89.7Confident62 Ų6255.2 Ų55.223%0.23428%0.282CS..EExtended strand (participates in β ladder)trans-71.3122.4177.8-172.5163.4-165.189.5-9.1109.7F13 D15 N95 M255F13-R27 HydrophobicContact CD1-CG 3.99Å; D15-R27 VanDerWaalsContact OD1-CA 3.29Å; D15-R27 WeakPolarHBondContact OD1-CA 3.35Å; D15-R27 WeakPolarHBondContact OD1-CB 3.21Å; D15-R27 WeakPolarHBondContact OD1-CG 3.47Å; D15-R27 IonicContact OD1-CZ 3.89Å; D15-R27 IonicContact OD1-NH1 2.92Å; D15-R27 PolarHBondContact OD1-NH1 3.48Å; D15-R27 IonicContact OD2-NH1 3.65Å; R27-N95 PolarHBondContact NH1-OD1 2.88Å; R27-N95 VanDerWaalsContact NH1-OD1 3.08Å; R27-N95 PolarHBondContact NH2-OD1 2.81Å; R27-M255 HydrophobicContact CB-CB 4.04Å; R27-M255 WeakPolarHBondContact CB-O 3.42Å; R27-M255 PolarHBondContact N-O 2.79Å
28R94.9Very high89.8Confident2 Ų256 Ų561%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-132.6152.2179.7-58.4-64.1-176.2-132.312.2110.8F13 L14 I16 E18 L26 F30 W41 Y42 D257F13-R28 WeakPolarHBondContact CA-O 3.14Å; L14-R28 PolarHBondContact N-O 3.13Å; L14-R28 PolarHBondContact O-N 3.15Å; L14-R28 VanDerWaalsContact O-O 3.1Å; I16-R28 HydrophobicContact CG2-CB 4.23Å; I16-R28 HydrophobicContact CG2-CG 3.57Å; E18-R28 IonicContact OE1-CZ 3.66Å; E18-R28 IonicContact OE1-NE 2.74Å; E18-R28 PolarHBondContact OE1-NE 3.18Å; E18-R28 IonicContact OE1-NH2 3.4Å; E18-R28 PolarHBondContact OE1-NH2 3.32Å; E18-R28 VanDerWaalsContact OE1-NH2 3.09Å; E18-R28 IonicContact OE2-NH2 2.68Å; L26-R28 PolarHBondContact O-N 2.85Å; R28-F30 HydrophobicContact CB-CD2 4.22Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.35Å; R28-W41 HydrophobicContact CB-CB 4.1Å; R28-W41 HydrophobicContact CB-CG 4.24Å; R28-Y42 WeakPolarHBondContact CA-O 3.39Å; R28-D257 IonicContact CZ-OD1 2.76Å; R28-D257 IonicContact CZ-OD2 2.76Å; R28-D257 IonicContact NH1-OD1 3.09Å; R28-D257 PolarHBondContact NH1-OD1 3.37Å; R28-D257 IonicContact NH1-OD2 3.79Å; R28-D257 VanDerWaalsContact NH2-CG 3.32Å; R28-D257 IonicContact NH2-OD1 3.56Å; R28-D257 PolarHBondContact NH2-OD1 3.12Å; R28-D257 IonicContact NH2-OD2 3.61Å; R28-D257 PolarHBondContact NH2-OD2 3.25Å
29Y94.4Very high90.3Very high5 Ų554 Ų542%0.0228%0.278CS..EExtended strand (participates in β ladder)trans-94.8110.5173.1-172.9-91.6000109.3Y3 C11 F13 I31 W41 Y42 D44 N45Y3-Y29 WeakPolarHBondContact OH-CE2 3.4Å; Y3-Y29 PolarHBondContact OH-OH 3.31Å; C11-Y29 HydrophobicContact CB-CE1 4.01Å; C11-Y29 VanDerWaalsContact CB-OH 3.27Å; C11-Y29 WeakPolarHBondContact CB-OH 3.44Å; F13-Y29 HydrophobicContact CD1-CD2 4.19Å; F13-Y29 AromaticContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CD2 3.91Å; F13-Y29 HydrophobicContact CD2-CE2 4.47Å; F13-Y29 AromaticContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CD2 3.95Å; F13-Y29 HydrophobicContact CE1-CG 4.38Å; F13-Y29 AromaticContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CD2 3.65Å; F13-Y29 HydrophobicContact CE2-CE2 4.19Å; F13-Y29 HydrophobicContact CG-CD2 4.18Å; F13-Y29 AromaticContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CD2 3.67Å; F13-Y29 HydrophobicContact CZ-CG 4.42Å; Y29-I31 HydrophobicContact CD1-CD1 4.22Å; Y29-I31 HydrophobicContact CD1-CG1 3.87Å; Y29-I31 HydrophobicContact CE1-CD1 3.9Å; Y29-I31 HydrophobicContact CE1-CG1 3.61Å; Y29-W41 CarbonylContact O-C 3.32Å; Y29-W41 WeakPolarHBondContact O-CA 3.42Å; Y29-Y42 PolarHBondContact N-O 2.95Å; Y29-Y42 PolarHBondContact O-N 3.36Å; Y29-D44 VanDerWaalsContact CB-C 3.46Å; Y29-N45 HydrophobicContact CD1-CB 4.4Å; Y29-N45 HydrophobicContact CD2-CB 3.96Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.95Å; Y29-N45 HydrophobicContact CG-CB 4.17Å
30F96.8Very high90.9Very high0 Ų049.6 Ų49.60%026%0.255CS..EExtended strand (participates in β ladder)trans-88.9144.1179.6-73.9-99.9000111C11 G12 L14 I16 R28 L39 V40 W41 L92 W103C11-F30 CarbonylContact C-O 3.52Å; C11-F30 WeakPolarHBondContact CA-O 3.37Å; G12-F30 PolarHBondContact N-O 3.45Å; G12-F30 PolarHBondContact O-N 3.48Å; L14-F30 HydrophobicContact CB-CD2 3.67Å; L14-F30 HydrophobicContact CB-CE2 3.64Å; L14-F30 HydrophobicContact CD1-CD2 4.02Å; L14-F30 HydrophobicContact CD1-CE2 4.34Å; L14-F30 HydrophobicContact CD1-CG 4.22Å; L14-F30 HydrophobicContact CG-CD2 4.18Å; I16-F30 HydrophobicContact CB-CE2 4.4Å; I16-F30 HydrophobicContact CB-CZ 3.94Å; I16-F30 HydrophobicContact CD1-CE1 4.27Å; I16-F30 HydrophobicContact CD1-CZ 3.78Å; I16-F30 HydrophobicContact CG1-CZ 4.44Å; I16-F30 HydrophobicContact CG2-CE2 4.29Å; I16-F30 HydrophobicContact CG2-CZ 3.97Å; R28-F30 HydrophobicContact CB-CD2 4.22Å; R28-F30 HydrophobicContact CB-CE2 3.69Å; R28-F30 HydrophobicContact CB-CZ 4.35Å; F30-L39 HydrophobicContact CB-CD1 4.46Å; F30-L39 HydrophobicContact CD1-CD1 4.03Å; F30-L39 HydrophobicContact CD1-CD2 4.22Å; F30-L39 HydrophobicContact CD1-CG 4.08Å; F30-L39 HydrophobicContact CE1-CD2 4.49Å; F30-V40 CarbonylContact C-O 3.49Å; F30-V40 WeakPolarHBondContact CA-O 3.48Å; F30-W41 HydrophobicContact CD1-CB 3.67Å; F30-W41 HydrophobicContact CD1-CD2 4.4Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.08Å; F30-W41 HydrophobicContact CE1-CB 3.7Å; F30-W41 AromaticContact CE1-CD2 3.72Å; F30-W41 HydrophobicContact CE1-CD2 3.72Å; F30-W41 AromaticContact CE1-CE3 3.6Å; F30-W41 HydrophobicContact CE1-CE3 3.6Å; F30-W41 AromaticContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CZ3 4.44Å; F30-W41 HydrophobicContact CE2-CB 4.12Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.91Å; F30-W41 HydrophobicContact CZ-CD2 4.09Å; F30-W41 HydrophobicContact CZ-CE3 4.4Å; F30-W41 AromaticContact CZ-CG 3.9Å; F30-W41 HydrophobicContact CZ-CG 3.9Å; F30-L92 HydrophobicContact CE1-CD2 3.81Å; F30-L92 HydrophobicContact CE2-CD2 4.19Å; F30-L92 HydrophobicContact CZ-CD2 3.61Å; F30-W103 HydrophobicContact CB-CH2 3.65Å; F30-W103 HydrophobicContact CB-CZ2 4.24Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å
31I96.4Very high91.6Very high3 Ų345.9 Ų45.92%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-131.7115.2171.7-57.9179.3000106.6R9 C11 Y29 V40 Y42 P46R9-I31 HydrophobicContact CB-CG2 4.05Å; C11-I31 HydrophobicContact CB-CG1 4.46Å; Y29-I31 HydrophobicContact CD1-CD1 4.22Å; Y29-I31 HydrophobicContact CD1-CG1 3.87Å; Y29-I31 HydrophobicContact CE1-CD1 3.9Å; Y29-I31 HydrophobicContact CE1-CG1 3.61Å; I31-V40 HydrophobicContact CB-CG2 3.78Å; I31-V40 HydrophobicContact CG2-CG2 4.37Å; I31-V40 PolarHBondContact N-O 3.03Å; I31-V40 PolarHBondContact O-N 2.8Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 4.07Å; I31-P46 HydrophobicContact CD1-CG 3.75Å
32L95.5Very high92.2Very high0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-93.6105.2171.7173.260.7000108.2I10 T34 L39 L61 V106 L107 A110I10-L32 HydrophobicContact CB-CB 4.17Å; I10-L32 HydrophobicContact CB-CD2 4.33Å; I10-L32 HydrophobicContact CD1-CD2 4.29Å; I10-L32 PolarHBondContact N-O 3.46Å; I10-L32 WeakPolarHBondContact O-CB 3.22Å; I10-L32 PolarHBondContact O-N 2.84Å; L32-T34 HydrophobicContact CG-CG2 4.41Å; L32-L39 HydrophobicContact CB-CD1 3.89Å; L32-L39 HydrophobicContact CD1-CD1 4.26Å; L32-L61 HydrophobicContact CD1-CD1 3.8Å; L32-L61 HydrophobicContact CD1-CD2 3.38Å; L32-L61 HydrophobicContact CD1-CG 4.21Å; L32-V106 HydrophobicContact CD2-CB 4.33Å; L32-V106 HydrophobicContact CD2-CG2 4.2Å; L32-L107 HydrophobicContact CD1-CD2 4.24Å; L32-L107 HydrophobicContact CD2-CD2 4.1Å; L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 3.92Å; L32-A110 HydrophobicContact CG-CB 4.36Å
33D93.2Very high92.4Very high19 Ų1940.6 Ų40.610%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-101.3101.3175.8-162.8-33.5000109.7R9 R35 E36 D37 S38R9-D33 WeakPolarHBondContact CD-OD2 3.16Å; R9-D33 HydrophobicContact CG-CB 4.46Å; D33-R35 PolarHBondContact O-N 2.72Å; D33-R35 WeakPolarHBondContact OD1-CA 3.42Å; D33-R35 VanDerWaalsContact OD1-CB 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.35Å; D33-R35 PolarHBondContact OD1-N 3.32Å; D33-E36 HydrophobicContact CB-CB 4.2Å; D33-E36 PolarHBondContact OD1-N 2.82Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; D33-D37 PolarHBondContact O-N 3Å; D33-S38 PolarHBondContact N-O 2.83Å; D33-S38 PolarHBondContact O-N 2.86Å
34T89.2Confident92.7Very high84 Ų8438.2 Ų38.252%0.51518%0.176SC..THydrogen-bonded Turntrans-73.3-14.5177.757.20000112.9L32 A110L32-T34 HydrophobicContact CG-CG2 4.41Å; T34-A110 HydrophobicContact CG2-CB 3.93Å
35R88.3Confident92.8Very high206 Ų20635.6 Ų35.678%0.77717%0.165SC*.THydrogen-bonded Turntrans-83.3-40.6178.1-58.7175.861.6-160.7-4.6110.7D33 D37D33-R35 PolarHBondContact O-N 2.72Å; D33-R35 WeakPolarHBondContact OD1-CA 3.42Å; D33-R35 VanDerWaalsContact OD1-CB 3.31Å; D33-R35 WeakPolarHBondContact OD1-CB 3.35Å; D33-R35 PolarHBondContact OD1-N 3.32Å; R35-D37 VanDerWaalsContact C-N 3.32Å
36E89.5Confident92.6Very high137 Ų13736.7 Ų36.764%0.6417%0.174SC*.THydrogen-bonded Turntrans-89.87.5179-63.4-62.9134.700113.4D33 S38D33-E36 HydrophobicContact CB-CB 4.2Å; D33-E36 PolarHBondContact OD1-N 2.82Å; D33-E36 VanDerWaalsContact OD1-N 3.09Å; E36-S38 PolarHBondContact O-N 2.86Å
37D92Very high92.2Very high55 Ų5542.4 Ų42.429%0.29420%0.2SC..THydrogen-bonded Turntrans49.840-177.2-169.155000112.8D33 R35 K60 L61 T62D33-D37 PolarHBondContact O-N 3Å; R35-D37 VanDerWaalsContact C-N 3.32Å; D37-K60 CarbonylContact O-C 3.48Å; D37-K60 VanDerWaalsContact O-CA 3.28Å; D37-K60 WeakPolarHBondContact O-CA 3.48Å; D37-L61 PolarHBondContact O-N 2.79Å; D37-L61 WeakPolarHBondContact OD1-CB 3.32Å; D37-T62 WeakPolarHBondContact OD2-CB 3.48Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T62 PolarHBondContact OD2-N 2.8Å; D37-T62 PolarHBondContact OD2-OG1 2.88Å
38S94.9Very high91.6Very high18 Ų1842.9 Ų42.913%0.12621%0.207CC..EExtended strand (participates in β ladder)trans-140.2142.9-174.764.80000114.3D33 E36D33-S38 PolarHBondContact N-O 2.83Å; D33-S38 PolarHBondContact O-N 2.86Å; E36-S38 PolarHBondContact O-N 2.86Å
39L95.9Very high90.8Very high1 Ų143.7 Ų43.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-105.6113.5164.5-178.967.8000107.3F30 L32 I59 L61 I64 M83 L107F30-L39 HydrophobicContact CB-CD1 4.46Å; F30-L39 HydrophobicContact CD1-CD1 4.03Å; F30-L39 HydrophobicContact CD1-CD2 4.22Å; F30-L39 HydrophobicContact CD1-CG 4.08Å; F30-L39 HydrophobicContact CE1-CD2 4.49Å; L32-L39 HydrophobicContact CB-CD1 3.89Å; L32-L39 HydrophobicContact CD1-CD1 4.26Å; L39-I59 PolarHBondContact N-O 3.44Å; L39-I59 PolarHBondContact O-N 3.33Å; L39-L61 HydrophobicContact CB-CD2 3.88Å; L39-I64 HydrophobicContact CD2-CD1 4.49Å; L39-M83 HydrophobicContact CD2-CE 3.95Å; L39-M83 HydrophobicContact CD2-SD 3.75Å; L39-L107 HydrophobicContact CD1-CD2 4.11Å; L39-L107 HydrophobicContact CD2-CD2 3.9Å
40V96Very high89.7Confident18 Ų1845.4 Ų45.411%0.10922%0.224CC..EExtended strand (participates in β ladder)trans-115.8149.8179.4-56.50000109.8F30 I31 Y42 P55 G57 V58F30-V40 CarbonylContact C-O 3.49Å; F30-V40 WeakPolarHBondContact CA-O 3.48Å; I31-V40 HydrophobicContact CB-CG2 3.78Å; I31-V40 HydrophobicContact CG2-CG2 4.37Å; I31-V40 PolarHBondContact N-O 3.03Å; I31-V40 PolarHBondContact O-N 2.8Å; V40-Y42 HydrophobicContact CB-CE2 4.41Å; V40-Y42 HydrophobicContact CG2-CE2 3.79Å; V40-P55 HydrophobicContact CB-CB 4.45Å; V40-G57 WeakPolarHBondContact CA-O 3.41Å; V40-V58 HydrophobicContact CB-CG2 4.33Å; V40-V58 HydrophobicContact CG1-CB 4.2Å; V40-V58 HydrophobicContact CG1-CG1 3.88Å; V40-V58 HydrophobicContact CG1-CG2 3.76Å
41W95.6Very high88.7Confident13 Ų1351.7 Ų51.75%0.04927%0.268CS..EExtended strand (participates in β ladder)trans-138150.7173.364.292.5000112.8I16 R28 Y29 F30 P55 V56 G57 I59I16-W41 HydrophobicContact CD1-CZ2 4.26Å; R28-W41 HydrophobicContact CB-CB 4.1Å; R28-W41 HydrophobicContact CB-CG 4.24Å; Y29-W41 CarbonylContact O-C 3.32Å; Y29-W41 WeakPolarHBondContact O-CA 3.42Å; F30-W41 HydrophobicContact CD1-CB 3.67Å; F30-W41 HydrophobicContact CD1-CD2 4.4Å; F30-W41 HydrophobicContact CD1-CE3 4.13Å; F30-W41 HydrophobicContact CD1-CG 4.27Å; F30-W41 HydrophobicContact CD2-CB 4.08Å; F30-W41 HydrophobicContact CE1-CB 3.7Å; F30-W41 AromaticContact CE1-CD2 3.72Å; F30-W41 HydrophobicContact CE1-CD2 3.72Å; F30-W41 AromaticContact CE1-CE3 3.6Å; F30-W41 HydrophobicContact CE1-CE3 3.6Å; F30-W41 AromaticContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CG 3.81Å; F30-W41 HydrophobicContact CE1-CZ3 4.44Å; F30-W41 HydrophobicContact CE2-CB 4.12Å; F30-W41 HydrophobicContact CE2-CG 4.45Å; F30-W41 HydrophobicContact CG-CB 3.86Å; F30-W41 HydrophobicContact CZ-CB 3.91Å; F30-W41 HydrophobicContact CZ-CD2 4.09Å; F30-W41 HydrophobicContact CZ-CE3 4.4Å; F30-W41 AromaticContact CZ-CG 3.9Å; F30-W41 HydrophobicContact CZ-CG 3.9Å; W41-P55 CarbonylContact O-C 3.59Å; W41-V56 PolarHBondContact O-N 3.27Å; W41-G57 VanDerWaalsContact CE2-CA 3.48Å; W41-G57 VanDerWaalsContact CZ2-CA 3.46Å; W41-G57 PolarHBondContact N-O 3.43Å; W41-G57 PolarHBondContact O-N 2.99Å; W41-I59 HydrophobicContact CH2-CD1 3.56Å; W41-I59 HydrophobicContact CH2-CG1 3.75Å; W41-I59 HydrophobicContact CZ3-CB 4.33Å; W41-I59 HydrophobicContact CZ3-CD1 3.59Å; W41-I59 HydrophobicContact CZ3-CG1 3.69Å
42Y93Very high87.9Confident44 Ų4455.4 Ų55.417%0.17331%0.306CS..EExtended strand (participates in β ladder)trans-125.9162.9-174.7-67.5-95.6000110.5R28 Y29 I31 V40 D44 P46 L49 S53 P55R28-Y42 WeakPolarHBondContact CA-O 3.39Å; Y29-Y42 PolarHBondContact N-O 2.95Å; Y29-Y42 PolarHBondContact O-N 3.36Å; I31-Y42 HydrophobicContact CD1-CD2 4.28Å; I31-Y42 HydrophobicContact CD1-CE2 4.07Å; V40-Y42 HydrophobicContact CB-CE2 4.41Å; V40-Y42 HydrophobicContact CG2-CE2 3.79Å; Y42-D44 WeakPolarHBondContact CB-O 3.27Å; Y42-D44 PolarHBondContact O-N 3.11Å; Y42-P46 HydrophobicContact CD1-CG 4.07Å; Y42-P46 HydrophobicContact CD2-CG 3.5Å; Y42-P46 VanDerWaalsContact CD2-CG 3.5Å; Y42-P46 HydrophobicContact CE1-CG 4.24Å; Y42-P46 HydrophobicContact CE2-CG 3.69Å; Y42-P46 HydrophobicContact CG-CG 3.71Å; Y42-L49 HydrophobicContact CD1-CD1 3.99Å; Y42-L49 HydrophobicContact CG-CD1 4.38Å; Y42-S53 WeakPolarHBondContact CE1-O 3.37Å; Y42-P55 HydrophobicContact CD1-CB 4.34Å; Y42-P55 HydrophobicContact CE1-CB 3.91Å; Y42-P55 HydrophobicContact CE2-CB 4.24Å
43M88.7Confident87.3Confident22 Ų2257 Ų5711%0.10832%0.317CS..SBendtrans-60.9-29.8175.9-62.3-172.67600112.6V56 Q272 A273M43-V56 HydrophobicContact CB-CG2 4.37Å; M43-V56 HydrophobicContact CG-CG2 3.44Å; M43-V56 VanDerWaalsContact CG-CG2 3.44Å; M43-Q272 HydrophobicContact CE-CG 3.98Å; M43-A273 WeakPolarHBondContact CE-O 3.34Å
44D88.5Confident87Confident4 Ų460.9 Ų60.92%0.02134%0.344CS..SBendtrans-154.1-179.1174.8-146.8-66.6000108.3Y29 Y42 P46 N48 L49 R256Y29-D44 VanDerWaalsContact CB-C 3.46Å; Y42-D44 WeakPolarHBondContact CB-O 3.27Å; Y42-D44 PolarHBondContact O-N 3.11Å; D44-P46 WeakPolarHBondContact O-CD 3.36Å; D44-N48 PolarHBondContact OD1-ND2 2.88Å; D44-L49 HydrophobicContact CB-CD2 4.14Å; D44-R256 IonicContact OD2-CZ 3.6Å; D44-R256 IonicContact OD2-NH1 3.24Å; D44-R256 PolarHBondContact OD2-NH1 3.03Å; D44-R256 IonicContact OD2-NH2 2.93Å; D44-R256 PolarHBondContact OD2-NH2 2.82Å
45N88.9Confident87.2Confident23 Ų2359.2 Ų59.212%0.12333%0.334CS..  trans-54.6127.1173.6-178.9-27.1000109.8Y29 Q47 N48 L49Y29-N45 HydrophobicContact CD1-CB 4.4Å; Y29-N45 HydrophobicContact CD2-CB 3.96Å; Y29-N45 HydrophobicContact CE1-CB 4.38Å; Y29-N45 HydrophobicContact CE2-CB 3.95Å; Y29-N45 HydrophobicContact CG-CB 4.17Å; N45-Q47 PolarHBondContact O-N 3Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.5Å; N45-Q47 PolarHBondContact OD1-N 3.31Å; N45-N48 WeakPolarHBondContact O-CA 3.46Å; N45-N48 VanDerWaalsContact O-CB 3.3Å; N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.3Å; N45-L49 PolarHBondContact O-N 3.44Å
46P87.5Confident87.4Confident40 Ų4052.1 Ų52.126%0.2631%0.314SS..G310 helixtrans-54-26.7-179.4-31.137.6000115.2I31 Y42 D44 N48 L49I31-P46 HydrophobicContact CD1-CG 3.75Å; Y42-P46 HydrophobicContact CD1-CG 4.07Å; Y42-P46 HydrophobicContact CD2-CG 3.5Å; Y42-P46 VanDerWaalsContact CD2-CG 3.5Å; Y42-P46 HydrophobicContact CE1-CG 4.24Å; Y42-P46 HydrophobicContact CE2-CG 3.69Å; Y42-P46 HydrophobicContact CG-CG 3.71Å; D44-P46 WeakPolarHBondContact O-CD 3.36Å; P46-N48 PolarHBondContact O-N 3.33Å; P46-L49 PolarHBondContact O-N 3.22Å
47Q83.7Confident87.5Confident134 Ų13446.3 Ų46.363%0.62629%0.29SS*.G310 helixtrans-67.4-22.5174.1-62.5-177.99.800113.1N45N45-Q47 PolarHBondContact O-N 3Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.5Å; N45-Q47 PolarHBondContact OD1-N 3.31Å
48N80.4Confident87.6Confident72 Ų7247.6 Ų47.639%0.38530%0.3SS..G310 helixtrans-89.9-5.5172.9-63.9-31.7000112D44 N45 P46 R212D44-N48 PolarHBondContact OD1-ND2 2.88Å; N45-N48 WeakPolarHBondContact O-CA 3.46Å; N45-N48 VanDerWaalsContact O-CB 3.3Å; N45-N48 WeakPolarHBondContact O-CB 3.31Å; N45-N48 PolarHBondContact O-N 3.3Å; P46-N48 PolarHBondContact O-N 3.33Å; N48-R212 WeakPolarHBondContact O-CB 3.45Å; N48-R212 WeakPolarHBondContact O-CD 3.35Å; N48-R212 WeakPolarHBondContact O-CG 3.23Å
49L79Confident87.6Confident20 Ų2047.2 Ų47.211%0.10530%0.297CS..SBendtrans-99.5161.3-178.7-59.9-179.5000110.7Y42 D44 N45 P46Y42-L49 HydrophobicContact CD1-CD1 3.99Å; Y42-L49 HydrophobicContact CG-CD1 4.38Å; D44-L49 HydrophobicContact CB-CD2 4.14Å; N45-L49 PolarHBondContact O-N 3.44Å; P46-L49 PolarHBondContact O-N 3.22Å
50P71.6Confident87.5Confident41 Ų4152.1 Ų52.127%0.26632%0.318SS..PPolyproline II helixtrans-61.8147.9173.3-12.731.4000109.4G52 S53 Y199 R212P50-G52 PolarHBondContact O-N 3.31Å; P50-S53 VanDerWaalsContact CD-OG 3.26Å; P50-S53 WeakPolarHBondContact CD-OG 3.4Å; P50-S53 WeakPolarHBondContact O-CB 3.21Å; P50-S53 PolarHBondContact O-N 2.95Å; P50-Y199 HydrophobicContact CG-CD2 4.31Å; P50-Y199 HydrophobicContact CG-CG 4.41Å; P50-R212 VanDerWaalsContact CG-CZ 3.45Å; P50-R212 VanDerWaalsContact CG-NE 3.27Å
51S74.9Confident87.3Confident132 Ų13251.5 Ų51.592%0.92331%0.314SS*.THydrogen-bonded Turntrans-52.2126.1174.4-58.90000110.2
52G79.6Confident87.1Confident80 Ų8055.6 Ų55.683%0.82534%0.341SS*.THydrogen-bonded Turntrans84.68.4-179.600000115.5P50P50-G52 PolarHBondContact O-N 3.31Å
53S82.2Confident87.1Confident33 Ų3360.4 Ų60.423%0.23136%0.359CS..PPolyproline II helixtrans-52.4127.9170.8-108.10000111.3Y42 P50Y42-S53 WeakPolarHBondContact CE1-O 3.37Å; P50-S53 VanDerWaalsContact CD-OG 3.26Å; P50-S53 WeakPolarHBondContact CD-OG 3.4Å; P50-S53 WeakPolarHBondContact O-CB 3.21Å; P50-S53 PolarHBondContact O-N 2.95Å
54P88.3Confident87.3Confident101 Ų10159.8 Ų59.866%0.65636%0.356SS*.PPolyproline II helixtrans-70.6151.4178.329.4-34.4000110.9
55P92.7Very high87.5Confident49 Ų4963.8 Ų63.832%0.31839%0.385SS..PPolyproline II helixtrans-64.4145.6167.628.6-33.3000110.3V40 W41 Y42 G57 V58V40-P55 HydrophobicContact CB-CB 4.45Å; W41-P55 CarbonylContact O-C 3.59Å; Y42-P55 HydrophobicContact CD1-CB 4.34Å; Y42-P55 HydrophobicContact CE1-CB 3.91Å; Y42-P55 HydrophobicContact CE2-CB 4.24Å; P55-G57 VanDerWaalsContact C-N 3.3Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.55Å
56V91.8Very high87.6Confident58 Ų5868.2 Ų68.235%0.35240%0.403SS..SBendtrans-69-35.5173.2177.30000110.1E18 W41 M43E18-V56 WeakPolarHBondContact OE1-CG1 3.43Å; W41-V56 PolarHBondContact O-N 3.27Å; M43-V56 HydrophobicContact CB-CG2 4.37Å; M43-V56 HydrophobicContact CG-CG2 3.44Å; M43-V56 VanDerWaalsContact CG-CG2 3.44Å
57G92.5Very high88Confident14 Ų1466.6 Ų66.614%0.14439%0.393CS..EExtended strand (participates in β ladder)trans-159.1161.2171.200000113.2V40 W41 P55V40-G57 WeakPolarHBondContact CA-O 3.41Å; W41-G57 VanDerWaalsContact CE2-CA 3.48Å; W41-G57 VanDerWaalsContact CZ2-CA 3.46Å; W41-G57 PolarHBondContact N-O 3.43Å; W41-G57 PolarHBondContact O-N 2.99Å; P55-G57 VanDerWaalsContact C-N 3.3Å
58V94.8Very high88.5Confident82 Ų8261.9 Ų61.950%0.49737%0.374SS..EExtended strand (participates in β ladder)trans-140.3130-176.1177.90000108.2V40 P55V40-V58 HydrophobicContact CB-CG2 4.33Å; V40-V58 HydrophobicContact CG1-CB 4.2Å; V40-V58 HydrophobicContact CG1-CG1 3.88Å; V40-V58 HydrophobicContact CG1-CG2 3.76Å; P55-V58 HydrophobicContact CB-CG2 3.93Å; P55-V58 HydrophobicContact CG-CG2 3.55Å
59I94.7Very high89.1Confident10 Ų1062.1 Ų62.15%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-129.2127.1173.2-66.4168.4000107.8L39 W41 I64 M83 A85 Y90L39-I59 PolarHBondContact N-O 3.44Å; L39-I59 PolarHBondContact O-N 3.33Å; W41-I59 HydrophobicContact CH2-CD1 3.56Å; W41-I59 HydrophobicContact CH2-CG1 3.75Å; W41-I59 HydrophobicContact CZ3-CB 4.33Å; W41-I59 HydrophobicContact CZ3-CD1 3.59Å; W41-I59 HydrophobicContact CZ3-CG1 3.69Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.72Å; I59-M83 HydrophobicContact CD1-CE 3.52Å; I59-A85 HydrophobicContact CG2-CB 3.89Å; I59-Y90 HydrophobicContact CD1-CD1 4.23Å; I59-Y90 HydrophobicContact CD1-CD2 3.79Å; I59-Y90 HydrophobicContact CD1-CE1 3.9Å; I59-Y90 HydrophobicContact CD1-CE2 3.47Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y90 HydrophobicContact CD1-CG 4.16Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.5Å; I59-Y90 HydrophobicContact CG1-CE2 4.41Å
60K92.9Very high89.7Confident105 Ų10561.2 Ų61.246%0.45737%0.371SS..EExtended strand (participates in β ladder)trans-71.4139.3172.2-64.9-169.2173.5-172.20110.4D37 T62 Y63D37-K60 CarbonylContact O-C 3.48Å; D37-K60 VanDerWaalsContact O-CA 3.28Å; D37-K60 WeakPolarHBondContact O-CA 3.48Å; K60-T62 WeakPolarHBondContact CB-OG1 3.31Å; K60-T62 PolarHBondContact O-N 2.97Å; K60-Y63 HydrophobicContact CB-CD2 3.87Å; K60-Y63 HydrophobicContact CB-CE2 4.1Å; K60-Y63 HydrophobicContact CB-CG 4.18Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.38Å; K60-Y63 HydrophobicContact CG-CE2 4.17Å; K60-Y63 WeakPolarHBondContact O-CB 3.45Å; K60-Y63 PolarHBondContact O-N 2.78Å
61L92.4Very high90.5Very high5 Ų561.4 Ų61.43%0.02637%0.371CS..G310 helixtrans-65.6-32.4-178.4-49.2173.9000111.2L32 D37 L39 Y63 I64 A110 T111L32-L61 HydrophobicContact CD1-CD1 3.8Å; L32-L61 HydrophobicContact CD1-CD2 3.38Å; L32-L61 HydrophobicContact CD1-CG 4.21Å; D37-L61 PolarHBondContact O-N 2.79Å; D37-L61 WeakPolarHBondContact OD1-CB 3.32Å; L39-L61 HydrophobicContact CB-CD2 3.88Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-Y63 VanDerWaalsContact O-N 3.13Å; L61-I64 HydrophobicContact CD2-CD1 3.82Å; L61-I64 WeakPolarHBondContact O-CB 3.07Å; L61-I64 PolarHBondContact O-N 2.79Å; L61-A110 HydrophobicContact CD1-CB 4.06Å; L61-T111 HydrophobicContact CB-CG2 4.31Å
62T90.7Very high90.9Very high99 Ų9964.8 Ų64.861%0.60737%0.369SS*.G310 helixtrans-54.6-23.916938.90000114.9D37 K60D37-T62 WeakPolarHBondContact OD2-CB 3.48Å; D37-T62 WeakPolarHBondContact OD2-CG2 3.28Å; D37-T62 PolarHBondContact OD2-N 2.8Å; D37-T62 PolarHBondContact OD2-OG1 2.88Å; K60-T62 WeakPolarHBondContact CB-OG1 3.31Å; K60-T62 PolarHBondContact O-N 2.97Å
63Y92.7Very high91.1Very high144 Ų14466.8 Ų66.857%0.56536%0.36SS*.G310 helixtrans-87.9-17.4176.2-61.3-21.5000113.1K60 L61 S65 A85 G86K60-Y63 HydrophobicContact CB-CD2 3.87Å; K60-Y63 HydrophobicContact CB-CE2 4.1Å; K60-Y63 HydrophobicContact CB-CG 4.18Å; K60-Y63 HydrophobicContact CD-CE2 4.1Å; K60-Y63 HydrophobicContact CG-CD2 4.38Å; K60-Y63 HydrophobicContact CG-CE2 4.17Å; K60-Y63 WeakPolarHBondContact O-CB 3.45Å; K60-Y63 PolarHBondContact O-N 2.78Å; L61-Y63 PolarHBondContact O-N 3.17Å; L61-Y63 VanDerWaalsContact O-N 3.13Å; Y63-S65 PolarHBondContact O-N 3.14Å; Y63-A85 CarbonylContact O-C 3.56Å; Y63-A85 WeakPolarHBondContact O-CA 3.47Å; Y63-G86 PolarHBondContact O-N 3.29Å
64I93.5Very high91.1Very high9 Ų968.3 Ų68.35%0.04636%0.361CS..EExtended strand (participates in β ladder)trans-79.6110.5179.7-55.7168.8000108.6L39 I59 L61 V67 M83 N84 A85 T111L39-I64 HydrophobicContact CD2-CD1 4.49Å; I59-I64 HydrophobicContact CG2-CD1 4.12Å; I59-I64 HydrophobicContact CG2-CG1 3.72Å; L61-I64 HydrophobicContact CD2-CD1 3.82Å; L61-I64 WeakPolarHBondContact O-CB 3.07Å; L61-I64 PolarHBondContact O-N 2.79Å; I64-V67 HydrophobicContact CG2-CG2 3.63Å; I64-M83 HydrophobicContact CD1-CG 4.36Å; I64-M83 HydrophobicContact CD1-SD 3.5Å; I64-M83 VanDerWaalsContact CD1-SD 3.5Å; I64-M83 HydrophobicContact CG1-CG 4.21Å; I64-M83 HydrophobicContact CG1-SD 3.89Å; I64-M83 HydrophobicContact CG2-CG 3.66Å; I64-M83 HydrophobicContact CG2-SD 4.22Å; I64-N84 CarbonylContact C-O 3.6Å; I64-N84 WeakPolarHBondContact CA-O 3.34Å; I64-A85 HydrophobicContact CG1-CB 4.09Å; I64-T111 HydrophobicContact CB-CG2 3.61Å; I64-T111 HydrophobicContact CD1-CG2 3.93Å; I64-T111 HydrophobicContact CG1-CG2 4.36Å; I64-T111 HydrophobicContact CG2-CG2 3.7Å
65S91.8Very high90.6Very high89 Ų8968.7 Ų68.762%0.62236%0.364SS*.EExtended strand (participates in β ladder)trans-87.8-31.6-178.457.30000113.1Y63 N84Y63-S65 PolarHBondContact O-N 3.14Å; S65-N84 PolarHBondContact N-O 3.11Å; S65-N84 WeakPolarHBondContact OG-CB 3.42Å; S65-N84 PolarHBondContact OG-O 2.85Å; S65-N84 VanDerWaalsContact OG-O 3.13Å
66K91.7Very high90Very high116 Ų11676.6 Ų76.650%0.50439%0.393SS..EExtended strand (participates in β ladder)trans-159.3138.6-176.3-176.5174.5177.9177.50111.3N84K66-N84 HydrophobicContact CB-CB 4.38Å; K66-N84 PolarHBondContact O-N 2.72Å
67V95.5Very high89.7Confident6 Ų674.1 Ų74.14%0.03638%0.378CS..EExtended strand (participates in β ladder)trans-123.8125.3168.6-1720000109I64 F81 V82 M83 V104 L107 N108I64-V67 HydrophobicContact CG2-CG2 3.63Å; V67-F81 HydrophobicContact CG1-CD2 3.79Å; V67-F81 HydrophobicContact CG1-CE2 4.1Å; V67-V82 WeakPolarHBondContact CA-O 3.46Å; V67-M83 HydrophobicContact CG2-CB 4.3Å; V67-M83 HydrophobicContact CG2-CG 4.02Å; V67-V104 HydrophobicContact CG1-CG1 4.45Å; V67-V104 HydrophobicContact CG1-CG2 4.3Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.27Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.02Å; V67-N108 PolarHBondContact O-ND2 3.5Å; V67-N108 PolarHBondContact O-OD1 2.92Å
68S94.6Very high89.5Confident34 Ų3479.7 Ų79.724%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-149153.5-176.955.20000112.7A70 F81 V82S68-A70 PolarHBondContact O-N 2.86Å; S68-F81 CarbonylContact O-C 3.57Å; S68-F81 WeakPolarHBondContact O-CA 3.45Å; S68-F81 WeakPolarHBondContact O-CB 3.28Å; S68-V82 PolarHBondContact N-O 3.33Å; S68-V82 PolarHBondContact O-N 2.93Å; S68-V82 WeakPolarHBondContact OG-CG1 3.25Å
69D93.6Very high89.4Confident78 Ų7878.6 Ų78.642%0.41739%0.389SS..EExtended strand (participates in β ladder)trans-54.9132.5170.4-169.1-32.7000111T71D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 PolarHBondContact OD1-OG1 2.84Å
70A91.3Very high89.4Confident1 Ų178.1 Ų78.11%0.00839%0.387CS..  trans-124.211.8-178.600000112.4S68 K72 L73 R74 C80 V82 F91S68-A70 PolarHBondContact O-N 2.86Å; A70-K72 PolarHBondContact O-N 3.31Å; A70-K72 VanDerWaalsContact O-N 3.15Å; A70-L73 HydrophobicContact CB-CB 4.41Å; A70-L73 HydrophobicContact CB-CD1 4.18Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.5Å; A70-L73 PolarHBondContact O-N 2.87Å; A70-R74 PolarHBondContact O-N 2.89Å; A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.32Å; A70-C80 WeakPolarHBondContact CA-O 3.43Å; A70-C80 PolarHBondContact N-O 3.36Å; A70-V82 HydrophobicContact CB-CB 3.85Å; A70-V82 HydrophobicContact CB-CG1 3.96Å; A70-F91 HydrophobicContact CB-CD1 4.37Å; A70-F91 HydrophobicContact CB-CE1 4.4Å
71T87.5Confident89.5Confident44 Ų4473.1 Ų73.127%0.2737%0.365SS..THydrogen-bonded Turntrans-56.4-35.4-179-51.10000111.3D69 R74 C80D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 2.77Å; D69-T71 PolarHBondContact OD1-OG1 2.84Å; T71-R74 CarbonylContact O-C 3.55Å; T71-C80 PolarHBondContact N-O 3.14Å; T71-C80 PolarHBondContact OG1-O 2.78Å
72K84.1Confident89.6Confident203 Ų20373.2 Ų73.288%0.88337%0.366SS*.THydrogen-bonded Turntrans-71.7-28.7174.7-63.7-175.5-178.1-1800113.9A70A70-K72 PolarHBondContact O-N 3.31Å; A70-K72 VanDerWaalsContact O-N 3.15Å
73L83.1Confident89.8Confident122 Ų12268.5 Ų68.564%0.63934%0.337SS*.THydrogen-bonded Turntrans-82.2-28.1-180-61.4173.2000111.6A70A70-L73 HydrophobicContact CB-CB 4.41Å; A70-L73 HydrophobicContact CB-CD1 4.18Å; A70-L73 WeakPolarHBondContact O-CA 3.48Å; A70-L73 WeakPolarHBondContact O-CB 3.5Å; A70-L73 PolarHBondContact O-N 2.87Å
74R83Confident89.8Confident65 Ų6563.5 Ų63.525%0.24532%0.32CS..  trans-128.875.4179.6-68.7-67.6-154.2-144.25.7110.6E17 A70 T71 K76 A77 C80 F91E17-R74 IonicContact OE1-NH2 3.53Å; E17-R74 PolarHBondContact OE1-NH2 2.88Å; E17-R74 IonicContact OE2-CZ 3.85Å; E17-R74 IonicContact OE2-NE 3.79Å; E17-R74 IonicContact OE2-NH2 3.41Å; E17-R74 PolarHBondContact OE2-NH2 3.16Å; E17-R74 VanDerWaalsContact OE2-NH2 3.15Å; A70-R74 PolarHBondContact O-N 2.89Å; T71-R74 CarbonylContact O-C 3.55Å; R74-K76 PolarHBondContact O-N 2.73Å; R74-A77 HydrophobicContact CB-CB 4.08Å; R74-A77 PolarHBondContact O-N 2.95Å; R74-A77 VanDerWaalsContact O-O 3.12Å; R74-C80 HydrophobicContact CB-CB 4.48Å; R74-F91 HydrophobicContact CG-CD1 4.06Å; R74-F91 HydrophobicContact CG-CE1 4.17Å
75P78.4Confident89.8Confident109 Ų10963.6 Ų63.671%0.70832%0.322SS*.THydrogen-bonded Turntrans-61.4-20.9-179-21.332.1000114.1
76K80.3Confident89.6Confident215 Ų21562.3 Ų62.394%0.93532%0.323SS*.THydrogen-bonded Turntrans-81-14.9177.3-63.6-175.2178.6-177.50113.6R74R74-K76 PolarHBondContact O-N 2.73Å
77A84.3Confident89.4Confident6 Ų666 Ų665%0.0535%0.345CS..SBendtrans-112.496.8178.400000107.8F25 R74 C80F25-A77 HydrophobicContact CE2-CB 4.13Å; F25-A77 HydrophobicContact CZ-CB 4.05Å; R74-A77 HydrophobicContact CB-CB 4.08Å; R74-A77 PolarHBondContact O-N 2.95Å; R74-A77 VanDerWaalsContact O-O 3.12Å; A77-C80 HydrophobicContact CB-CB 3.81Å; A77-C80 WeakPolarHBondContact O-CB 3.36Å
78E88.4Confident89.1Confident132 Ų13271.4 Ų71.462%0.61736%0.364SS*.THydrogen-bonded Turntrans-61143.4177.9-60.5-175.8110.200110.3C80 Q93E78-C80 PolarHBondContact O-N 3.46Å; E78-Q93 VanDerWaalsContact O-CG 3.23Å; E78-Q93 WeakPolarHBondContact O-CG 3.16Å; E78-Q93 PolarHBondContact O-NE2 2.95Å
79F92.9Very high89Confident58 Ų5874.9 Ų74.925%0.25438%0.375SS..THydrogen-bonded Turntrans52.340.9-179.9-39.2-62.3000113.4A94 D96 Q97 L100F79-A94 HydrophobicContact CB-CB 4.26Å; F79-A94 PolarHBondContact O-N 3.35Å; F79-D96 VanDerWaalsContact CG-C 3.49Å; F79-Q97 HydrophobicContact CD1-CB 3.91Å; F79-Q97 VanDerWaalsContact CD1-N 3.32Å; F79-Q97 HydrophobicContact CE1-CB 3.77Å; F79-L100 VanDerWaalsContact C-CD1 3.46Å; F79-L100 HydrophobicContact CB-CB 4.31Å; F79-L100 HydrophobicContact CB-CD1 4.22Å
80C94.1Very high89Confident0 Ų072.2 Ų72.20%036%0.359CS..EExtended strand (participates in β ladder)trans-90136.4178.6-175.80000112.1A70 T71 R74 A77 E78 L92A70-C80 CarbonylContact C-O 3.56Å; A70-C80 VanDerWaalsContact C-O 3.32Å; A70-C80 WeakPolarHBondContact CA-O 3.43Å; A70-C80 PolarHBondContact N-O 3.36Å; T71-C80 PolarHBondContact N-O 3.14Å; T71-C80 PolarHBondContact OG1-O 2.78Å; R74-C80 HydrophobicContact CB-CB 4.48Å; A77-C80 HydrophobicContact CB-CB 3.81Å; A77-C80 WeakPolarHBondContact O-CB 3.36Å; E78-C80 PolarHBondContact O-N 3.46Å; C80-L92 CarbonylContact C-O 3.6Å; C80-L92 VanDerWaalsContact CA-O 3.27Å; C80-L92 WeakPolarHBondContact CA-O 3.46Å; C80-L92 PolarHBondContact SG-O 3.28Å; C80-L92 VanDerWaalsContact SG-O 3.34Å
81F95.6Very high89.1Confident0 Ų073.1 Ų73.10%036%0.363CS..EExtended strand (participates in β ladder)trans-128.2156.9170.568.8-86000111L14 V67 S68 L92 L100 W103 V104 L107L14-F81 HydrophobicContact CD1-CE1 4.29Å; L14-F81 HydrophobicContact CD1-CZ 3.81Å; L14-F81 HydrophobicContact CD2-CE1 4.01Å; L14-F81 HydrophobicContact CD2-CZ 4.37Å; V67-F81 HydrophobicContact CG1-CD2 3.79Å; V67-F81 HydrophobicContact CG1-CE2 4.1Å; S68-F81 CarbonylContact O-C 3.57Å; S68-F81 WeakPolarHBondContact O-CA 3.45Å; S68-F81 WeakPolarHBondContact O-CB 3.28Å; F81-L92 HydrophobicContact CD1-CB 4.18Å; F81-L92 HydrophobicContact CD2-CB 4.33Å; F81-L92 HydrophobicContact CD2-CD1 4.27Å; F81-L92 HydrophobicContact CE1-CB 3.67Å; F81-L92 HydrophobicContact CE2-CB 3.85Å; F81-L92 HydrophobicContact CE2-CD1 3.76Å; F81-L92 HydrophobicContact CE2-CD2 4.48Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.21Å; F81-L92 HydrophobicContact CZ-CD2 4.2Å; F81-L92 HydrophobicContact CZ-CG 4.17Å; F81-L92 PolarHBondContact N-O 2.84Å; F81-L92 PolarHBondContact O-N 3.03Å; F81-L92 VanDerWaalsContact O-O 3.14Å; F81-L100 HydrophobicContact CB-CG 4.49Å; F81-L100 HydrophobicContact CD1-CG 4.42Å; F81-W103 HydrophobicContact CE1-CB 4.11Å; F81-W103 HydrophobicContact CZ-CB 3.98Å; F81-V104 HydrophobicContact CB-CG2 3.7Å; F81-V104 HydrophobicContact CD1-CG2 4.33Å; F81-V104 HydrophobicContact CD2-CG2 3.97Å; F81-V104 HydrophobicContact CG-CG2 3.76Å; F81-L107 HydrophobicContact CE2-CD1 3.78Å; F81-L107 HydrophobicContact CZ-CD1 4.24Å
82V94.6Very high89.5Confident8 Ų871 Ų715%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-112.9134.8179.865.20000110.3V67 S68 A70 K89 Y90 F91V67-V82 WeakPolarHBondContact CA-O 3.46Å; S68-V82 PolarHBondContact N-O 3.33Å; S68-V82 PolarHBondContact O-N 2.93Å; S68-V82 WeakPolarHBondContact OG-CG1 3.25Å; A70-V82 HydrophobicContact CB-CB 3.85Å; A70-V82 HydrophobicContact CB-CG1 3.96Å; V82-K89 HydrophobicContact CG2-CB 4.08Å; V82-Y90 WeakPolarHBondContact CA-O 3.38Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.1Å; V82-F91 HydrophobicContact CG2-CD1 4.21Å; V82-F91 HydrophobicContact CG2-CE1 3.99Å; V82-F91 HydrophobicContact CG2-CZ 4.28Å
83M94.9Very high90Very high0 Ų062.9 Ų62.90%032%0.315CS..EExtended strand (participates in β ladder)trans-113.9114.1171.5175.9177.568.800108.9L39 I59 I64 V67 Y90 L92L39-M83 HydrophobicContact CD2-CE 3.95Å; L39-M83 HydrophobicContact CD2-SD 3.75Å; I59-M83 HydrophobicContact CD1-CE 3.52Å; I64-M83 HydrophobicContact CD1-CG 4.36Å; I64-M83 HydrophobicContact CD1-SD 3.5Å; I64-M83 VanDerWaalsContact CD1-SD 3.5Å; I64-M83 HydrophobicContact CG1-CG 4.21Å; I64-M83 HydrophobicContact CG1-SD 3.89Å; I64-M83 HydrophobicContact CG2-CG 3.66Å; I64-M83 HydrophobicContact CG2-SD 4.22Å; V67-M83 HydrophobicContact CG2-CB 4.3Å; V67-M83 HydrophobicContact CG2-CG 4.02Å; M83-Y90 HydrophobicContact CE-CD2 3.98Å; M83-Y90 HydrophobicContact CE-CG 4Å; M83-Y90 PolarHBondContact N-O 3.49Å; M83-Y90 PolarHBondContact O-N 3.05Å; M83-L92 HydrophobicContact CB-CD1 3.83Å; M83-L92 HydrophobicContact CE-CD1 4.32Å
84N93.4Very high90.6Very high38 Ų3857.1 Ų57.120%0.20329%0.286CS..EExtended strand (participates in β ladder)trans-88114.4175.5-62.6-25000108.7I64 S65 K66 K89I64-N84 CarbonylContact C-O 3.6Å; I64-N84 WeakPolarHBondContact CA-O 3.34Å; S65-N84 PolarHBondContact N-O 3.11Å; S65-N84 WeakPolarHBondContact OG-CB 3.42Å; S65-N84 PolarHBondContact OG-O 2.85Å; S65-N84 VanDerWaalsContact OG-O 3.13Å; K66-N84 HydrophobicContact CB-CB 4.38Å; K66-N84 PolarHBondContact O-N 2.72Å; N84-K89 WeakPolarHBondContact OD1-CG 3.3Å
85A92.2Very high91Very high11 Ų1157.5 Ų57.59%0.09129%0.292CS..EExtended strand (participates in β ladder)trans-127.9115.1177.200000111.2I59 Y63 I64 M87 R88 Y90I59-A85 HydrophobicContact CG2-CB 3.89Å; Y63-A85 CarbonylContact O-C 3.56Å; Y63-A85 WeakPolarHBondContact O-CA 3.47Å; I64-A85 HydrophobicContact CG1-CB 4.09Å; A85-M87 PolarHBondContact O-N 3.04Å; A85-R88 PolarHBondContact N-O 3Å; A85-R88 PolarHBondContact O-N 3.26Å; A85-Y90 HydrophobicContact CB-CD2 4.2Å; A85-Y90 HydrophobicContact CB-CE2 3.99Å
86G87.5Confident91.8Very high62 Ų6255.3 Ų55.364%0.63928%0.275SS*.THydrogen-bonded Turntrans55.5-120.5-171.700000112.2Y63Y63-G86 PolarHBondContact O-N 3.29Å
87M87.4Confident92.4Very high195 Ų19549.4 Ų49.496%0.96125%0.251SS*.THydrogen-bonded Turntrans-93.84.6179.3-61.3179.168.900113.8A85A85-M87 PolarHBondContact O-N 3.04Å
88R90.4Very high92.9Very high118 Ų11853.8 Ų53.845%0.44527%0.27SS..EExtended strand (participates in β ladder)trans-118148.5-174.7-67.4179.768.7-171.4-0.6111.4E18 A85 Y90E18-R88 PolarHBondContact O-NH2 3.04Å; A85-R88 PolarHBondContact N-O 3Å; A85-R88 PolarHBondContact O-N 3.26Å; R88-Y90 HydrophobicContact CB-CE2 3.95Å; R88-Y90 PolarHBondContact NH1-OH 3.34Å
89K91.6Very high93.3Very high107 Ų10747.5 Ų47.547%0.46524%0.241SC..EExtended strand (participates in β ladder)trans-107.8129.9170.1-59.8-176.3-177.6166.90108.8V82 N84 F91V82-K89 HydrophobicContact CG2-CB 4.08Å; N84-K89 WeakPolarHBondContact OD1-CG 3.3Å; K89-F91 HydrophobicContact CB-CE2 4.24Å
90Y93.6Very high93.4Very high22 Ų2245 Ų459%0.08623%0.23CC..EExtended strand (participates in β ladder)trans-107.1120.3172.7-63.7-88.2000107.7I16 I59 V82 M83 A85 R88 L92I16-Y90 HydrophobicContact CD1-CD1 3.99Å; I59-Y90 HydrophobicContact CD1-CD1 4.23Å; I59-Y90 HydrophobicContact CD1-CD2 3.79Å; I59-Y90 HydrophobicContact CD1-CE1 3.9Å; I59-Y90 HydrophobicContact CD1-CE2 3.47Å; I59-Y90 VanDerWaalsContact CD1-CE2 3.47Å; I59-Y90 HydrophobicContact CD1-CG 4.16Å; I59-Y90 VanDerWaalsContact CD1-CZ 3.5Å; I59-Y90 HydrophobicContact CG1-CE2 4.41Å; V82-Y90 WeakPolarHBondContact CA-O 3.38Å; M83-Y90 HydrophobicContact CE-CD2 3.98Å; M83-Y90 HydrophobicContact CE-CG 4Å; M83-Y90 PolarHBondContact N-O 3.49Å; M83-Y90 PolarHBondContact O-N 3.05Å; A85-Y90 HydrophobicContact CB-CD2 4.2Å; A85-Y90 HydrophobicContact CB-CE2 3.99Å; R88-Y90 HydrophobicContact CB-CE2 3.95Å; R88-Y90 PolarHBondContact NH1-OH 3.34Å; Y90-L92 WeakPolarHBondContact O-CD1 3.41Å
91F94.3Very high93.4Very high20 Ų2048.3 Ų48.39%0.08825%0.25CC..EExtended strand (participates in β ladder)trans-92.2126171-66.5-86.5000108.1E17 F25 A70 R74 V82 K89E17-F91 HydrophobicContact CB-CB 4.04Å; E17-F91 PolarHBondContact N-O 2.77Å; F25-F91 HydrophobicContact CE1-CB 4.14Å; F25-F91 HydrophobicContact CZ-CB 4.21Å; A70-F91 HydrophobicContact CB-CD1 4.37Å; A70-F91 HydrophobicContact CB-CE1 4.4Å; R74-F91 HydrophobicContact CG-CD1 4.06Å; R74-F91 HydrophobicContact CG-CE1 4.17Å; V82-F91 HydrophobicContact CB-CD1 4.15Å; V82-F91 HydrophobicContact CB-CE1 4.1Å; V82-F91 HydrophobicContact CG2-CD1 4.21Å; V82-F91 HydrophobicContact CG2-CE1 3.99Å; V82-F91 HydrophobicContact CG2-CZ 4.28Å; K89-F91 HydrophobicContact CB-CE2 4.24Å
92L95.1Very high93.5Very high0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-123.1144.9178.9-59100.6000109L14 D15 I16 F30 C80 F81 M83 Y90L14-L92 HydrophobicContact CB-CD2 4.47Å; L14-L92 HydrophobicContact CD1-CD2 3.78Å; D15-L92 CarbonylContact O-C 3.55Å; D15-L92 VanDerWaalsContact O-CA 3.3Å; D15-L92 WeakPolarHBondContact O-CA 2.82Å; I16-L92 HydrophobicContact CB-CD2 4.46Å; I16-L92 HydrophobicContact CB-CG 4.49Å; I16-L92 HydrophobicContact CD1-CD2 4.26Å; I16-L92 HydrophobicContact CD1-CG 4.45Å; I16-L92 HydrophobicContact CG1-CG 4.35Å; F30-L92 HydrophobicContact CE1-CD2 3.81Å; F30-L92 HydrophobicContact CE2-CD2 4.19Å; F30-L92 HydrophobicContact CZ-CD2 3.61Å; C80-L92 CarbonylContact C-O 3.6Å; C80-L92 VanDerWaalsContact CA-O 3.27Å; C80-L92 WeakPolarHBondContact CA-O 3.46Å; C80-L92 PolarHBondContact SG-O 3.28Å; C80-L92 VanDerWaalsContact SG-O 3.34Å; F81-L92 HydrophobicContact CD1-CB 4.18Å; F81-L92 HydrophobicContact CD2-CB 4.33Å; F81-L92 HydrophobicContact CD2-CD1 4.27Å; F81-L92 HydrophobicContact CE1-CB 3.67Å; F81-L92 HydrophobicContact CE2-CB 3.85Å; F81-L92 HydrophobicContact CE2-CD1 3.76Å; F81-L92 HydrophobicContact CE2-CD2 4.48Å; F81-L92 HydrophobicContact CE2-CG 4.24Å; F81-L92 HydrophobicContact CZ-CB 3.49Å; F81-L92 VanDerWaalsContact CZ-CB 3.49Å; F81-L92 HydrophobicContact CZ-CD1 4.21Å; F81-L92 HydrophobicContact CZ-CD2 4.2Å; F81-L92 HydrophobicContact CZ-CG 4.17Å; F81-L92 PolarHBondContact N-O 2.84Å; F81-L92 PolarHBondContact O-N 3.03Å; F81-L92 VanDerWaalsContact O-O 3.14Å; M83-L92 HydrophobicContact CB-CD1 3.83Å; M83-L92 HydrophobicContact CE-CD1 4.32Å; Y90-L92 WeakPolarHBondContact O-CD1 3.41Å
93Q94.6Very high93.6Very high32 Ų3250.3 Ų50.315%0.1526%0.259CS..EExtended strand (participates in β ladder)trans-118.7127.1178.8176.9167.70.600109D15 F25 E78D15-Q93 HydrophobicContact CB-CB 4.24Å; D15-Q93 PolarHBondContact N-O 3.32Å; D15-Q93 PolarHBondContact O-N 2.72Å; F25-Q93 HydrophobicContact CD1-CB 4.15Å; F25-Q93 HydrophobicContact CE1-CB 4.24Å; E78-Q93 VanDerWaalsContact O-CG 3.23Å; E78-Q93 WeakPolarHBondContact O-CG 3.16Å; E78-Q93 PolarHBondContact O-NE2 2.95Å
94A95.1Very high93.6Very high2 Ų251.4 Ų51.42%0.01727%0.265CS..  trans-90.5164.3174.200000110.8L14 F79 D99 L100L14-A94 HydrophobicContact CD2-CB 4.08Å; F79-A94 HydrophobicContact CB-CB 4.26Å; F79-A94 PolarHBondContact O-N 3.35Å; A94-D99 HydrophobicContact CB-CB 3.92Å; A94-L100 HydrophobicContact CB-CB 3.9Å
95N92.5Very high93.7Very high72 Ų7254.5 Ų54.539%0.38528%0.282SS..SBendtrans-74.6-28.8-177.8-55.9-82.2000112.2F13 R27 D99F13-N95 PolarHBondContact O-ND2 2.95Å; R27-N95 PolarHBondContact NH1-OD1 2.88Å; R27-N95 VanDerWaalsContact NH1-OD1 3.08Å; R27-N95 PolarHBondContact NH2-OD1 2.81Å; N95-D99 WeakPolarHBondContact CB-OD2 2.89Å; N95-D99 PolarHBondContact N-OD2 3.12Å; N95-D99 PolarHBondContact ND2-OD2 3.25Å
96D94.3Very high93.8Very high63 Ų6355.4 Ų55.434%0.33729%0.286SS..SBendtrans-155.2176.7-179.461.758000111.3F79 Q98 D99 L100F79-D96 VanDerWaalsContact CG-C 3.49Å; D96-Q98 VanDerWaalsContact C-N 3.33Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.26Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.38Å; D96-Q98 PolarHBondContact OD1-N 3.4Å; D96-D99 PolarHBondContact O-N 2.97Å; D96-D99 WeakPolarHBondContact OD1-CB 3.29Å; D96-D99 PolarHBondContact OD1-N 3.34Å; D96-L100 PolarHBondContact O-N 3.44Å
97Q94Very high94.1Very high91 Ų9152.5 Ų52.543%0.42526%0.256SS..Hα-helixtrans-63.2-36.9-178.3-174.460.154.500113F79 L100 V101F79-Q97 HydrophobicContact CD1-CB 3.91Å; F79-Q97 VanDerWaalsContact CD1-N 3.32Å; F79-Q97 HydrophobicContact CE1-CB 3.77Å; Q97-L100 PolarHBondContact O-N 3.28Å; Q97-V101 WeakPolarHBondContact O-CG2 2.98Å; Q97-V101 PolarHBondContact O-N 3.29Å; Q97-V101 VanDerWaalsContact O-N 3.13Å
98Q95.4Very high94.4Very high99 Ų9945.2 Ų45.246%0.46322%0.221SC..Hα-helixtrans-69.5-44-179.9-178.665.629.300110M1 D96 L100 V101 E102M1-Q98 HydrophobicContact CE-CG 3.58Å; M1-Q98 HydrophobicContact CG-CG 4.45Å; M1-Q98 HydrophobicContact SD-CG 4.07Å; D96-Q98 VanDerWaalsContact C-N 3.33Å; D96-Q98 PolarHBondContact O-N 2.77Å; D96-Q98 WeakPolarHBondContact OD1-CA 3.26Å; D96-Q98 WeakPolarHBondContact OD1-CB 3.38Å; D96-Q98 PolarHBondContact OD1-N 3.4Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.93Å; Q98-V101 PolarHBondContact O-N 3.44Å; Q98-E102 PolarHBondContact NE2-OE1 2.9Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 3.43Å
99D95.3Very high94.5Very high0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-57.5-43.1175-166.831.5000111.4M1 P2 A94 N95 D96 W103M1-D99 WeakPolarHBondContact CA-OD1 3.37Å; M1-D99 HydrophobicContact CG-CB 4.23Å; M1-D99 PolarHBondContact N-OD1 3.41Å; M1-D99 PolarHBondContact N-OD2 3.1Å; P2-D99 WeakPolarHBondContact CD-OD1 3.5Å; A94-D99 HydrophobicContact CB-CB 3.92Å; N95-D99 WeakPolarHBondContact CB-OD2 2.89Å; N95-D99 PolarHBondContact N-OD2 3.12Å; N95-D99 PolarHBondContact ND2-OD2 3.25Å; D96-D99 PolarHBondContact O-N 2.97Å; D96-D99 WeakPolarHBondContact OD1-CB 3.29Å; D96-D99 PolarHBondContact OD1-N 3.34Å; D99-W103 WeakPolarHBondContact O-CB 3.43Å; D99-W103 VanDerWaalsContact O-CD1 3.23Å; D99-W103 PolarHBondContact O-N 3.01Å; D99-W103 PolarHBondContact OD1-NE1 3.16Å
100L95.1Very high94.4Very high5 Ų543.5 Ų43.53%0.02622%0.222CC..Hα-helixtrans-58.5-52.3173175.1158000111.3F79 F81 A94 D96 Q97 Q98 E102 W103 V104F79-L100 VanDerWaalsContact C-CD1 3.46Å; F79-L100 HydrophobicContact CB-CB 4.31Å; F79-L100 HydrophobicContact CB-CD1 4.22Å; F81-L100 HydrophobicContact CB-CG 4.49Å; F81-L100 HydrophobicContact CD1-CG 4.42Å; A94-L100 HydrophobicContact CB-CB 3.9Å; D96-L100 PolarHBondContact O-N 3.44Å; Q97-L100 PolarHBondContact O-N 3.28Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.93Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.9Å; L100-W103 PolarHBondContact O-N 3.22Å; L100-V104 HydrophobicContact CD2-CG2 4.12Å; L100-V104 HydrophobicContact CG-CG2 4.35Å; L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.29Å; L100-V104 PolarHBondContact O-N 2.73Å
101V95.5Very high94.2Very high69 Ų6943.6 Ų43.642%0.41823%0.225SC..Hα-helixtrans-61.8-42.8-175.3171.30000110.4Q97 Q98 N105Q97-V101 WeakPolarHBondContact O-CG2 2.98Å; Q97-V101 PolarHBondContact O-N 3.29Å; Q97-V101 VanDerWaalsContact O-N 3.13Å; Q98-V101 PolarHBondContact O-N 3.44Å; V101-N105 VanDerWaalsContact O-CB 3.24Å; V101-N105 WeakPolarHBondContact O-CB 3.44Å; V101-N105 PolarHBondContact O-N 2.74Å
102E96.1Very high93.6Very high50 Ų5050 Ų5023%0.23425%0.252CS..Hα-helixtrans-65.2-48.3177.9-73.7-179-174.600112.2M1 P2 Q98 L100 V104 N105 V106M1-E102 VanDerWaalsContact CE-CD 3.43Å; M1-E102 WeakPolarHBondContact CE-OE1 3.45Å; M1-E102 VanDerWaalsContact CE-OE2 3.29Å; M1-E102 WeakPolarHBondContact CE-OE2 3.48Å; P2-E102 WeakPolarHBondContact CD-OE2 3.18Å; P2-E102 HydrophobicContact CG-CB 3.64Å; Q98-E102 PolarHBondContact NE2-OE1 2.9Å; Q98-E102 WeakPolarHBondContact O-CG 3.43Å; Q98-E102 PolarHBondContact O-N 3.43Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.9Å; E102-V104 PolarHBondContact O-N 3.08Å; E102-N105 PolarHBondContact O-N 3.43Å; E102-V106 WeakPolarHBondContact O-CG1 3.19Å; E102-V106 WeakPolarHBondContact O-CG2 2.81Å; E102-V106 PolarHBondContact O-N 2.92Å
103W96.4Very high91.9Very high1 Ų157.1 Ų57.10%0.00429%0.289CS..Hα-helixtrans-60.2-45.1177.2-88.5110.4000112.7P2 L14 F30 F81 D99 L100 N105 V106 L107P2-W103 HydrophobicContact CB-CD2 4.05Å; P2-W103 HydrophobicContact CB-CG 4.49Å; P2-W103 HydrophobicContact CB-CH2 4.42Å; P2-W103 HydrophobicContact CB-CZ2 3.9Å; P2-W103 HydrophobicContact CG-CD2 4.23Å; P2-W103 HydrophobicContact CG-CG 4.18Å; L14-W103 HydrophobicContact CD1-CD2 3.67Å; L14-W103 HydrophobicContact CD1-CE3 4.02Å; L14-W103 HydrophobicContact CD1-CG 4.03Å; L14-W103 HydrophobicContact CD1-CH2 4.38Å; L14-W103 HydrophobicContact CD1-CZ2 4.04Å; L14-W103 HydrophobicContact CD1-CZ3 4.37Å; L14-W103 VanDerWaalsContact CD2-CD1 3.49Å; L14-W103 HydrophobicContact CD2-CD2 4.32Å; L14-W103 HydrophobicContact CD2-CG 3.97Å; L14-W103 HydrophobicContact CG-CD2 4.18Å; L14-W103 HydrophobicContact CG-CG 4.35Å; L14-W103 HydrophobicContact CG-CZ2 4.13Å; F30-W103 HydrophobicContact CB-CH2 3.65Å; F30-W103 HydrophobicContact CB-CZ2 4.24Å; F30-W103 HydrophobicContact CB-CZ3 4.33Å; F81-W103 HydrophobicContact CE1-CB 4.11Å; F81-W103 HydrophobicContact CZ-CB 3.98Å; D99-W103 WeakPolarHBondContact O-CB 3.43Å; D99-W103 VanDerWaalsContact O-CD1 3.23Å; D99-W103 PolarHBondContact O-N 3.01Å; D99-W103 PolarHBondContact OD1-NE1 3.16Å; L100-W103 PolarHBondContact O-N 3.22Å; W103-N105 VanDerWaalsContact C-N 3.3Å; W103-N105 PolarHBondContact O-N 3.22Å; W103-V106 HydrophobicContact CE3-CG2 4.02Å; W103-V106 WeakPolarHBondContact O-CG2 3.35Å; W103-L107 HydrophobicContact CE3-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CG 4.27Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CD1 3.32Å; W103-L107 VanDerWaalsContact O-CG 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.36Å; W103-L107 PolarHBondContact O-N 2.87Å
104V95.4Very high89.9Confident22 Ų2261.7 Ų61.713%0.13332%0.319CS..Hα-helixtrans-62.7-39.4176.9171.80000110.9V67 F81 L100 E102 N108V67-V104 HydrophobicContact CG1-CG1 4.45Å; V67-V104 HydrophobicContact CG1-CG2 4.3Å; F81-V104 HydrophobicContact CB-CG2 3.7Å; F81-V104 HydrophobicContact CD1-CG2 4.33Å; F81-V104 HydrophobicContact CD2-CG2 3.97Å; F81-V104 HydrophobicContact CG-CG2 3.76Å; L100-V104 HydrophobicContact CD2-CG2 4.12Å; L100-V104 HydrophobicContact CG-CG2 4.35Å; L100-V104 WeakPolarHBondContact O-CB 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.25Å; L100-V104 WeakPolarHBondContact O-CG2 3.29Å; L100-V104 PolarHBondContact O-N 2.73Å; E102-V104 PolarHBondContact O-N 3.08Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.32Å; V104-N108 VanDerWaalsContact O-CB 3.27Å; V104-N108 WeakPolarHBondContact O-CB 3.32Å; V104-N108 PolarHBondContact O-N 3.02Å; V104-N108 PolarHBondContact O-ND2 3.32Å
105N94.9Very high87.4Confident103 Ų10367 Ų6755%0.55135%0.351SS*.Hα-helixtrans-66.8-53178.3-174.3-5.1000111.7V101 E102 W103 L107 N108 K109V101-N105 VanDerWaalsContact O-CB 3.24Å; V101-N105 WeakPolarHBondContact O-CB 3.44Å; V101-N105 PolarHBondContact O-N 2.74Å; E102-N105 PolarHBondContact O-N 3.43Å; W103-N105 VanDerWaalsContact C-N 3.3Å; W103-N105 PolarHBondContact O-N 3.22Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 2.85Å; N105-N108 PolarHBondContact O-N 2.86Å; N105-K109 WeakPolarHBondContact O-CB 3.31Å; N105-K109 PolarHBondContact O-N 2.86Å
106V94.9Very high85.1Confident30 Ų3068.5 Ų68.518%0.18237%0.365CS..Hα-helixtrans-63.1-39.6-177.4-610000111.9I10 L32 E102 W103 K109 A110I10-V106 HydrophobicContact CD1-CB 3.76Å; I10-V106 HydrophobicContact CD1-CG1 3.8Å; I10-V106 HydrophobicContact CD1-CG2 4.5Å; I10-V106 HydrophobicContact CG2-CB 4.43Å; I10-V106 HydrophobicContact CG2-CG1 4.46Å; I10-V106 HydrophobicContact CG2-CG2 4.09Å; L32-V106 HydrophobicContact CD2-CB 4.33Å; L32-V106 HydrophobicContact CD2-CG2 4.2Å; E102-V106 WeakPolarHBondContact O-CG1 3.19Å; E102-V106 WeakPolarHBondContact O-CG2 2.81Å; E102-V106 PolarHBondContact O-N 2.92Å; W103-V106 HydrophobicContact CE3-CG2 4.02Å; W103-V106 WeakPolarHBondContact O-CG2 3.35Å; V106-K109 PolarHBondContact O-N 3.47Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.43Å
107L94.7Very high82.3Confident1 Ų174.7 Ų74.71%0.00539%0.389CS..Hα-helixtrans-66.6-47.1176.1-71.6168.9000111.2L32 L39 V67 F81 W103 N105 K109 A110 T111L32-L107 HydrophobicContact CD1-CD2 4.24Å; L32-L107 HydrophobicContact CD2-CD2 4.1Å; L39-L107 HydrophobicContact CD1-CD2 4.11Å; L39-L107 HydrophobicContact CD2-CD2 3.9Å; V67-L107 HydrophobicContact CB-CB 4.44Å; V67-L107 HydrophobicContact CG1-CB 4.27Å; V67-L107 HydrophobicContact CG1-CD1 4.16Å; V67-L107 HydrophobicContact CG2-CB 4.02Å; F81-L107 HydrophobicContact CE2-CD1 3.78Å; F81-L107 HydrophobicContact CZ-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CD1 4.24Å; W103-L107 HydrophobicContact CE3-CG 4.27Å; W103-L107 VanDerWaalsContact O-CB 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.27Å; W103-L107 WeakPolarHBondContact O-CD1 3.32Å; W103-L107 VanDerWaalsContact O-CG 3.26Å; W103-L107 WeakPolarHBondContact O-CG 3.36Å; W103-L107 PolarHBondContact O-N 2.87Å; N105-L107 VanDerWaalsContact C-N 3.33Å; N105-L107 PolarHBondContact O-N 2.85Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.44Å; L107-A110 PolarHBondContact O-N 2.78Å; L107-A110 VanDerWaalsContact O-N 3.17Å; L107-T111 VanDerWaalsContact O-CG2 3.23Å; L107-T111 WeakPolarHBondContact O-CG2 3.35Å; L107-T111 PolarHBondContact O-N 3Å; L107-T111 PolarHBondContact O-OG1 3.24Å; L107-T111 VanDerWaalsContact O-OG1 3.06Å
108N93.8Very high79.7Confident42 Ų4278 Ų7823%0.22540%0.404CS..Hα-helixtrans-62.7-34.8176.5-82.2-50.7000112.7V67 V104 N105 T111 K112V67-N108 PolarHBondContact O-ND2 3.5Å; V67-N108 PolarHBondContact O-OD1 2.92Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.32Å; V104-N108 VanDerWaalsContact O-CB 3.27Å; V104-N108 WeakPolarHBondContact O-CB 3.32Å; V104-N108 PolarHBondContact O-N 3.02Å; V104-N108 PolarHBondContact O-ND2 3.32Å; N105-N108 PolarHBondContact O-N 2.86Å; N108-T111 WeakPolarHBondContact CA-OG1 3.27Å; N108-T111 PolarHBondContact O-OG1 2.89Å; N108-K112 WeakPolarHBondContact O-CB 3.2Å; N108-K112 WeakPolarHBondContact O-CG 3.13Å; N108-K112 PolarHBondContact O-N 3.08Å
109K91.8Very high77.1Confident162 Ų16278.6 Ų78.670%0.70442%0.417SS*.Hα-helixtrans-66.9-40.5174.9-174.7179.3178.1-176.70111.3N105 V106 L107N105-K109 WeakPolarHBondContact O-CB 3.31Å; N105-K109 PolarHBondContact O-N 2.86Å; V106-K109 PolarHBondContact O-N 3.47Å; L107-K109 VanDerWaalsContact C-N 3.28Å; L107-K109 PolarHBondContact O-N 3.44Å
110A89.8Confident74.1Confident27 Ų2786.1 Ų86.122%0.22346%0.457CS..Hα-helixtrans-73.7-28.9179.900000113.2L32 T34 L61 V106 L107L32-A110 HydrophobicContact CD1-CB 4Å; L32-A110 HydrophobicContact CD2-CB 3.92Å; L32-A110 HydrophobicContact CG-CB 4.36Å; T34-A110 HydrophobicContact CG2-CB 3.93Å; L61-A110 HydrophobicContact CD1-CB 4.06Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.44Å; V106-A110 PolarHBondContact O-N 3.43Å; L107-A110 PolarHBondContact O-N 2.78Å; L107-A110 VanDerWaalsContact O-N 3.17Å
111T88.8Confident72Confident24 Ų2490.9 Ų90.915%0.14749%0.488CS..Hα-helixtrans-91.6-19.8-179.6610000113.8L61 I64 L107 N108 I113L61-T111 HydrophobicContact CB-CG2 4.31Å; I64-T111 HydrophobicContact CB-CG2 3.61Å; I64-T111 HydrophobicContact CD1-CG2 3.93Å; I64-T111 HydrophobicContact CG1-CG2 4.36Å; I64-T111 HydrophobicContact CG2-CG2 3.7Å; L107-T111 VanDerWaalsContact O-CG2 3.23Å; L107-T111 WeakPolarHBondContact O-CG2 3.35Å; L107-T111 PolarHBondContact O-N 3Å; L107-T111 PolarHBondContact O-OG1 3.24Å; L107-T111 VanDerWaalsContact O-OG1 3.06Å; N108-T111 WeakPolarHBondContact CA-OG1 3.27Å; N108-T111 PolarHBondContact O-OG1 2.89Å; T111-I113 PolarHBondContact O-N 2.76Å
112K81.9Confident69.2Low155 Ų15595.5 Ų95.567%0.67451%0.51SS*.SBendtrans-66.398.7169.2-83.2175.4-177.7-175.10108.7N108 T114N108-K112 WeakPolarHBondContact O-CB 3.2Å; N108-K112 WeakPolarHBondContact O-CG 3.13Å; N108-K112 PolarHBondContact O-N 3.08Å; K112-T114 PolarHBondContact O-N 3.28Å
113I58.8Low66.1Low150 Ų15098.3 Ų98.377%0.76953%0.534SS*.  trans-36.196.1173.5-55.1174.3000110.2T111 V115T111-I113 PolarHBondContact O-N 2.76Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 HydrophobicContact CG2-CG2 4.34Å; I113-V115 PolarHBondContact O-N 2.9Å; I113-V115 VanDerWaalsContact O-N 3.09Å
114T53.3Low63.1Low127 Ų127107.7 Ų107.778%0.77958%0.578SS**  trans-71.7101.1157.645.60000105.3K112 P116K112-T114 PolarHBondContact O-N 3.28Å; T114-P116 VanDerWaalsContact O-CD 3.31Å; T114-P116 WeakPolarHBondContact O-CD 3.47Å; T114-P116 VanDerWaalsContact O-N 3.15Å
115V42.2Very low60Low113 Ų113114.2 Ų114.269%0.68561%0.608SS**  trans-50119.7167.2178.40000106.8I113 K117I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 HydrophobicContact CG2-CG2 4.34Å; I113-V115 PolarHBondContact O-N 2.9Å; I113-V115 VanDerWaalsContact O-N 3.09Å; V115-K117 PolarHBondContact O-N 2.98Å
116P44.2Very low57.1Low105 Ų105115 Ų11568%0.68261%0.612SS**  trans-58.8110.2169.4-18.130.1000106.5T114 Q118T114-P116 VanDerWaalsContact O-CD 3.31Å; T114-P116 WeakPolarHBondContact O-CD 3.47Å; T114-P116 VanDerWaalsContact O-N 3.15Å; P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.47Å
117K35.3Very low54.2Low193 Ų193120.2 Ų120.284%0.83964%0.639SS**  trans-67.396.1173-165173.5-177.1-179.50106V115V115-K117 PolarHBondContact O-N 2.98Å
118Q39.8Very low51.3Low160 Ų160124.7 Ų124.775%0.74868%0.677SS**PPolyproline II helixtrans-53.5127.4165.4-72.4-77.6-24.700106.8P116 D120P116-Q118 VanDerWaalsContact C-N 3.28Å; P116-Q118 PolarHBondContact O-N 3.47Å; Q118-D120 PolarHBondContact O-N 3.04Å
119P40.8Very low48.3Very low111 Ų111128.9 Ų128.972%0.72170%0.699SS**PPolyproline II helixtrans-66127.217225.9-29.5000108.7
120D32.8Very low45.5Very low159 Ų159132.5 Ų132.585%0.8571%0.709SS**PPolyproline II helixtrans-56.2128.8172.1-87.3-50.9000110.1Q118Q118-D120 PolarHBondContact O-N 3.04Å
121P51.2Low42.7Very low105 Ų105140.1 Ų140.168%0.68274%0.739SS**PPolyproline II helixtrans-84152.5167.932.3-27.7000110.1
122L35.9Very low40Very low166 Ų166143.9 Ų143.987%0.86977%0.773SS**  trans107.9119.3175-57.9168.7000112.5
123C31.9Very low37.5Very low109 Ų109145.7 Ų145.774%0.73678%0.784SS**  cis-164139.713-92.20000109.8
124Q32.3Very low36.2Very low198 Ų198144.2 Ų144.293%0.92579%0.787SS**  -166.3104128.5-109.6170.219.600111.6
125M30.5Very low35.5Very low158 Ų158143.7 Ų143.778%0.77879%0.786SS**  trans-53.2153.6149.9-90.8165.96900110
126D35.6Very low35Very low119 Ų119142.1 Ų142.164%0.63679%0.792SS**  cis-157.6164.527.3-89.4-48.1000106.6
127N33.2Very low34.4Very low140 Ų140141.3 Ų141.375%0.74980%0.795SS**  cis-168.5141.717.8-131-31.4000108.4
128A33.8Very low34.4Very low96 Ų96141.9 Ų141.979%0.79380%0.797SS**  trans171.476.6135.200000110.9
129N30.1Very low34.6Very low130 Ų130144.2 Ų144.270%0.69581%0.805SS**  trans30.1112.1131.7-162.718.9000118.5
130R33.1Very low34.4Very low238 Ų238148.1 Ų148.190%0.89881%0.813SS**  -169.8137.3110.9-100174.5-179.3-166.30112.7
131Q31.7Very low35.3Very low186 Ų186144.3 Ų144.387%0.86980%0.795SS**  trans-57.2147.8-174.5-66.4165.9-39.200115.2
132A32.1Very low35.1Very low104 Ų104143 Ų14386%0.8679%0.789SS**  -177.5137.3113.500000111.4
133E29Very low36.1Very low192 Ų192142 Ų14290%0.89777%0.774SS**  trans-77162.2176.5-71.9178.2100.300113.9
134S31Very low37.4Very low119 Ų119144.7 Ų144.783%0.83277%0.769SS**  trans118.4148.7136-134.20000117.6
135P40.3Very low38.2Very low117 Ų117139 Ų13976%0.7675%0.748SS**  trans-105.9165-155.140.9-33.4000114.7
136G29.6Very low39.6Very low79 Ų79136.4 Ų136.481%0.81473%0.734SS**  trans89134.5141.900000119.2
137A33.2Very low40.8Very low89 Ų89136.8 Ų136.874%0.73674%0.735SS**  trans84114.9152.800000120.8
138K35.3Very low41.9Very low205 Ų205135.6 Ų135.689%0.89173%0.732SS**  trans73.5136.2137.3-61175.8-175179.20118.7Q140K138-Q140 PolarHBondContact O-N 3.46Å
139K42.3Very low42.9Very low209 Ų209135.2 Ų135.291%0.90974%0.737SS**PPolyproline II helixtrans-52.5122.4-179.5-63.2177.9178-177.60111.5
140Q38.6Very low44Very low193 Ų193132.1 Ų132.190%0.90274%0.737SS**PPolyproline II helixtrans-88118.8172.5-170174.85.300109.2K138K138-Q140 PolarHBondContact O-N 3.46Å
141V51.1Low44.5Very low78 Ų78125.5 Ų125.547%0.47372%0.722SS.*PPolyproline II helixtrans-96.7129.7168.4176.90000107.3Y143 P156V141-Y143 HydrophobicContact CB-CE2 4.19Å; V141-Y143 HydrophobicContact CG1-CE1 4.33Å; V141-Y143 HydrophobicContact CG1-CE2 4.4Å; V141-Y143 VanDerWaalsContact O-CD2 3.28Å; V141-Y143 WeakPolarHBondContact O-CD2 3.5Å; V141-Y143 VanDerWaalsContact O-CE2 3.28Å; V141-Y143 WeakPolarHBondContact O-CE2 3.31Å; V141-P156 HydrophobicContact CG1-CB 4.09Å
142S46.5Very low45.1Very low78 Ų78120.6 Ų120.655%0.54571%0.707SS.*PPolyproline II helixtrans-78.4127.1176.555.20000110.6
143Y57.4Low46.2Very low144 Ų144121 Ų12157%0.56569%0.693SS**EExtended strand (participates in β ladder)trans-113.7142.3172.1-52.1-92.3000110.2V141 I154 P156V141-Y143 HydrophobicContact CB-CE2 4.19Å; V141-Y143 HydrophobicContact CG1-CE1 4.33Å; V141-Y143 HydrophobicContact CG1-CE2 4.4Å; V141-Y143 VanDerWaalsContact O-CD2 3.28Å; V141-Y143 WeakPolarHBondContact O-CD2 3.5Å; V141-Y143 VanDerWaalsContact O-CE2 3.28Å; V141-Y143 WeakPolarHBondContact O-CE2 3.31Å; Y143-I154 HydrophobicContact CD1-CG2 3.91Å; Y143-I154 HydrophobicContact CG-CG2 3.74Å; Y143-P156 HydrophobicContact CD1-CB 3.84Å; Y143-P156 HydrophobicContact CD1-CG 4.37Å; Y143-P156 HydrophobicContact CE1-CB 3.97Å; Y143-P156 HydrophobicContact CE1-CG 4.35Å
144R59Low47.5Very low167 Ų167116.8 Ų116.863%0.6368%0.676SS**EExtended strand (participates in β ladder)trans-104.1130172.3-171.8-179.9179.7-172.6-3109E146 T155R144-E146 IonicContact CZ-OE1 2.81Å; R144-E146 IonicContact NE-OE1 2.83Å; R144-E146 IonicContact NH1-OE1 3.42Å; R144-E146 IonicContact NH2-OE1 3.64Å; R144-T155 PolarHBondContact N-O 2.94Å; R144-T155 PolarHBondContact O-N 3.44Å; R144-T155 VanDerWaalsContact O-N 3.07Å
145T48.3Very low48.5Very low77 Ų77115.3 Ų115.347%0.47266%0.662SS.*EExtended strand (participates in β ladder)trans-99.3130.2176.5-45.70000109.8P152 I153 I154T145-P152 HydrophobicContact CG2-CB 3.64Å; T145-I153 WeakPolarHBondContact CA-O 3.21Å; T145-I154 HydrophobicContact CG2-CG1 3.92Å
146E60.8Low48.6Very low105 Ų105113.3 Ų113.349%0.49165%0.649SS.*EExtended strand (participates in β ladder)trans-121.2145.7169.4-63.4-170.1174.500109.5R144 I153R144-E146 IonicContact CZ-OE1 2.81Å; R144-E146 IonicContact NE-OE1 2.83Å; R144-E146 IonicContact NH1-OE1 3.42Å; R144-E146 IonicContact NH2-OE1 3.64Å; E146-I153 PolarHBondContact N-O 3.44Å; E146-I153 PolarHBondContact O-N 3.48Å
147I60.3Low49.2Very low126 Ų126114.1 Ų114.165%0.64664%0.638SS**EExtended strand (participates in β ladder)trans-113.1112.8179.8-58.9168.8000107.7P152I147-P152 HydrophobicContact CG1-CB 4.27Å
148V56.8Low49.5Very low116 Ų116119.5 Ų119.570%0.70365%0.648SS**EExtended strand (participates in β ladder)trans-121.8118.6175.1-176.50000107.6G150V148-G150 VanDerWaalsContact C-N 3.32Å; V148-G150 PolarHBondContact O-N 3.28Å
149G53.7Low49.5Very low87 Ų87119 Ų11990%0.89765%0.646SS**THydrogen-bonded Turntrans70.118.8178.400000116.1
150G54.9Low49.1Very low66 Ų66118.6 Ų118.668%0.6865%0.647SS**THydrogen-bonded Turntrans966.7173.200000116.4V148V148-G150 VanDerWaalsContact C-N 3.32Å; V148-G150 PolarHBondContact O-N 3.28Å
151V42.8Very low48.7Very low98 Ų98117.3 Ų117.359%0.59464%0.641SS**EExtended strand (participates in β ladder)trans-125.6134.1175.6-175.80000110.1
152P43.3Very low47.7Very low84 Ų84119.6 Ų119.655%0.54566%0.655SS.*EExtended strand (participates in β ladder)trans-80.5130.618029-31.6000112.8T145 I147T145-P152 HydrophobicContact CG2-CB 3.64Å; I147-P152 HydrophobicContact CG1-CB 4.27Å
153I56.3Low46.9Very low113 Ų113122.3 Ų122.358%0.57966%0.663SS**EExtended strand (participates in β ladder)trans-114.7137.3172-59.4-178.4000109.4T145 E146T145-I153 WeakPolarHBondContact CA-O 3.21Å; E146-I153 PolarHBondContact N-O 3.44Å; E146-I153 PolarHBondContact O-N 3.48Å
154I56Low45.4Very low102 Ų102124.7 Ų124.752%0.52368%0.68SS.*EExtended strand (participates in β ladder)trans-119122.9-172.3-59.5-178.7000110.3Y143 T145Y143-I154 HydrophobicContact CD1-CG2 3.91Å; Y143-I154 HydrophobicContact CG-CG2 3.74Å; T145-I154 HydrophobicContact CG2-CG1 3.92Å
155T51.5Low44.1Very low88 Ų88122 Ų12254%0.5469%0.685SS.*EExtended strand (participates in β ladder)trans-130138179.2-46.20000112.3R144R144-T155 PolarHBondContact N-O 2.94Å; R144-T155 PolarHBondContact O-N 3.44Å; R144-T155 VanDerWaalsContact O-N 3.07Å
156P42.5Very low43.3Very low76 Ų76123.8 Ų123.849%0.49470%0.701SS.*EExtended strand (participates in β ladder)trans-83.4146.3179.530.8-32.5000113.8V141 Y143V141-P156 HydrophobicContact CG1-CB 4.09Å; Y143-P156 HydrophobicContact CD1-CB 3.84Å; Y143-P156 HydrophobicContact CD1-CG 4.37Å; Y143-P156 HydrophobicContact CE1-CB 3.97Å; Y143-P156 HydrophobicContact CE1-CG 4.35Å
157T42.6Very low41.9Very low96 Ų96128.2 Ų128.259%0.58972%0.722SS**  trans-105.2133.2-173.913.60000112.9
158Q39.4Very low40.6Very low201 Ų201126 Ų12694%0.93973%0.73SS**  trans-120.5144166-73.1-173.456.200110.3
159K35.7Very low39.4Very low194 Ų194124 Ų12484%0.84373%0.733SS**  trans-100.8130.4-178.4-71.5179.9173.3-1730110.5
160E32.8Very low38.3Very low201 Ų201127.5 Ų127.594%0.93973%0.731SS**  trans-132.5138.7158.6-96.8178.916600108.3
161E30.5Very low37.4Very low166 Ų166135.4 Ų135.478%0.77674%0.74SS**  trans-120133.6174.7-42.7-179.9-166.700103.7
162V31.4Very low36.9Very low127 Ų127136.2 Ų136.277%0.7774%0.741SS**  -174.8132.662.2152.90000109.4
163N28.5Very low36.3Very low134 Ų134141.4 Ų141.472%0.71775%0.752SS**  trans47.2120.3137.4-159.338.5000122.4
164E26.2Very low35.3Very low195 Ų195143.1 Ų143.191%0.91176%0.761SS**  -156.7122.5121-98.2-174.815300111
165C30.9Very low34.2Very low110 Ų110147.2 Ų147.274%0.74378%0.775SS**  trans-85.8153.8163.4-87.20000108.5
166S31.6Very low33.2Very low115 Ų115153.7 Ų153.780%0.80479%0.789SS**  cis-164.2162.630.4-101.80000111.5
167E32.1Very low32.6Very low198 Ų198154.4 Ų154.493%0.92580%0.796SS**  trans-60.2163-179.1-62.5172.598.900117.7
168G32.5Very low32.2Very low80 Ų80158.2 Ų158.283%0.82581%0.807SS**  trans154.6105.2132.700000117.2
169G31.3Very low32.3Very low74 Ų74152.7 Ų152.776%0.76379%0.791SS**  trans108.386.5136.400000120.1
170D31.3Very low32.1Very low159 Ų159152 Ų15285%0.8579%0.791SS**  trans35118.7134.7-62.6-43000122.2
171R37.1Very low32.5Very low232 Ų232150.3 Ų150.388%0.87579%0.787SS**  171.4115103.9-100.4-175.5167177.4-2.9112.9
172N31.8Very low33.7Very low115 Ų115147.1 Ų147.162%0.61578%0.781SS**  55.7109.2126.5-78-8.7000122.2
173Y30.8Very low33.8Very low194 Ų194151.9 Ų151.976%0.76179%0.786SS**  83.6129121.9-69-55.9000121.9
174L35.3Very low34.7Very low148 Ų148154.5 Ų154.578%0.77579%0.792SS**  trans90.4103.5150.8-92.876000119.5
175K32.9Very low35.4Very low189 Ų189151.3 Ų151.382%0.82279%0.786SS**  54.3126.3115.9-101.7-177.9179.1175.50119.1
176R29.3Very low35.7Very low223 Ų223150.2 Ų150.284%0.84278%0.784SS**  100.4115122.1-163.3173.3-147.7-141.74.1118
177S29.9Very low36.1Very low91 Ų91153.9 Ų153.964%0.63679%0.786SS**  trans65.7124.2139.2-59.80000121.9
178Q35.5Very low36.5Very low176 Ų176152.8 Ų152.882%0.82278%0.78SS**  59.6124.5118.8-159.2169.112.500120.2
179S40.6Very low36.9Very low86 Ų86153.3 Ų153.360%0.60177%0.769SS**  trans69.2136.5168.658.50000114.3
180H32.6Very low38.1Very low179 Ų179155.3 Ų155.383%0.82977%0.769SS**  -156.2147.650.3-48.9-85.8000110.9
181L40.1Very low39.1Very low166 Ų166153.9 Ų153.987%0.86976%0.762SS**  trans-63.3172.3164.1-126.771.2000110
182P55.1Low40.4Very low98 Ų98146.7 Ų146.764%0.63674%0.74SS**  cis-137.7152.52.737.3-17.8000115.5
183Y34.1Very low43Very low228 Ų228144 Ų14489%0.89473%0.734SS**  trans-127.2110153-92.9-86000109.6T185Y183-T185 PolarHBondContact O-N 2.88Å; Y183-T185 VanDerWaalsContact O-N 3.1Å
184F47Very low46Very low188 Ų188139.2 Ų139.283%0.82572%0.721SS**  trans-49.8105.9162.7-133.6-100.1000107.9
185T41.4Very low48.9Very low128 Ų128136 Ų13679%0.78570%0.703SS**  trans-97.9125.8156.551.50000106.3Y183 K187Y183-T185 PolarHBondContact O-N 2.88Å; Y183-T185 VanDerWaalsContact O-N 3.1Å; T185-K187 PolarHBondContact O-N 3.44Å
186A37.4Very low51.9Low87 Ų87128.8 Ų128.872%0.71967%0.672SS**  trans-51.8128.3-170.900000111.1H188A186-H188 PolarHBondContact O-N 3.42Å; A186-H188 VanDerWaalsContact O-N 3.1Å
187K39.5Very low55.1Low192 Ų192119.9 Ų119.984%0.83565%0.646SS**  trans-54112.9164.1-65.7-172.4173.7-175.60108.5T185T185-K187 PolarHBondContact O-N 3.44Å
188H41Very low58.1Low175 Ų175116.4 Ų116.481%0.8162%0.624SS**  trans-65.9133.8142.4-95.4-89.2000106.7A186A186-H188 PolarHBondContact O-N 3.42Å; A186-H188 VanDerWaalsContact O-N 3.1Å
189P41.3Very low60.8Low91 Ų91110.9 Ų110.959%0.59160%0.597SS**  trans-60.8128.8168.7-10.824.5000108D191P189-D191 PolarHBondContact O-N 2.9Å; P189-D191 VanDerWaalsContact O-N 3.09Å
190P55.8Low63.3Low117 Ų117106.8 Ų106.876%0.7657%0.568SS**  trans-84.756.4174.637-33.2000109.6N192P190-N192 PolarHBondContact O-N 3.2Å
191D52.6Low66.2Low129 Ų12998.4 Ų98.469%0.6953%0.529SS*.  trans-100.374.3-172.3-68.3-13.1000109.9P189P189-D191 PolarHBondContact O-N 2.9Å; P189-D191 VanDerWaalsContact O-N 3.09Å
192N64.3Low68.7Low81 Ų8191.1 Ų91.143%0.43349%0.49SS..  trans168.281.2147-82.3-20.6000107.3P190 I194 D218P190-N192 PolarHBondContact O-N 3.2Å; N192-I194 PolarHBondContact O-N 2.79Å; N192-I194 VanDerWaalsContact O-N 3.12Å; N192-D218 HydrophobicContact CB-CB 3.95Å
193A87.1Confident70.5Confident57 Ų5787.4 Ų87.447%0.47147%0.465SS..  trans-57.7120.9174.200000109.3I195A193-I195 PolarHBondContact O-N 2.92Å; A193-I195 VanDerWaalsContact O-N 3.14Å
194I93.1Very high73.1Confident95 Ų9577.1 Ų77.149%0.48743%0.428SS..  trans-68.8113177.7-60.8159.2000107.6N192 A197 Q216N192-I194 PolarHBondContact O-N 2.79Å; N192-I194 VanDerWaalsContact O-N 3.12Å; I194-A197 HydrophobicContact CG2-CB 3.84Å; I194-Q216 HydrophobicContact CG1-CG 4.04Å; I194-Q216 HydrophobicContact CG2-CG 3.87Å
195I95.7Very high74.9Confident79 Ų7970.4 Ų70.441%0.40541%0.407SS..SBendtrans-75.6-43178.9-61.1176.1000109.9A193 L217 E219 A285 A289A193-I195 PolarHBondContact O-N 2.92Å; A193-I195 VanDerWaalsContact O-N 3.14Å; I195-L217 HydrophobicContact CB-CD2 4.06Å; I195-L217 HydrophobicContact CB-CG 4.12Å; I195-L217 HydrophobicContact CD1-CG 4.45Å; I195-L217 HydrophobicContact CG2-CD2 3.95Å; I195-L217 PolarHBondContact N-O 3.21Å; I195-E219 HydrophobicContact CD1-CG 4.17Å; I195-E219 HydrophobicContact CG1-CG 4.49Å; I195-A285 HydrophobicContact CG2-CB 4.33Å; I195-A289 HydrophobicContact CD1-CB 3.76Å
196K96.4Very high76.9Confident38 Ų3871 Ų7117%0.16541%0.41CS..EExtended strand (participates in β ladder)trans-154.5138.6177.2-172173.8166.679.30109.6L217 D278 S281 W282 A285K196-L217 PolarHBondContact N-O 3.17Å; K196-L217 PolarHBondContact O-N 2.99Å; K196-D278 WeakPolarHBondContact CE-OD1 3.31Å; K196-D278 IonicContact NZ-OD1 3.78Å; K196-D278 PolarHBondContact NZ-OD1 3.15Å; K196-S281 PolarHBondContact NZ-OG 3.26Å; K196-W282 HydrophobicContact CB-CE3 4.46Å; K196-W282 HydrophobicContact CB-CH2 4.3Å; K196-W282 HydrophobicContact CB-CZ3 4.04Å; K196-W282 HydrophobicContact CD-CD2 3.68Å; K196-W282 HydrophobicContact CD-CE3 3.74Å; K196-W282 HydrophobicContact CD-CG 4.15Å; K196-W282 HydrophobicContact CD-CH2 4.34Å; K196-W282 HydrophobicContact CD-CZ2 4.28Å; K196-W282 HydrophobicContact CD-CZ3 4.07Å; K196-W282 VanDerWaalsContact CE-CD1 3.43Å; K196-W282 VanDerWaalsContact CE-CG 3.41Å; K196-W282 VanDerWaalsContact CE-NE1 3.3Å; K196-W282 HydrophobicContact CG-CD2 4.31Å; K196-W282 HydrophobicContact CG-CE3 4.14Å; K196-W282 HydrophobicContact CG-CH2 3.9Å; K196-W282 HydrophobicContact CG-CZ2 4.06Å; K196-W282 HydrophobicContact CG-CZ3 3.93Å; K196-A285 HydrophobicContact CB-CB 4.22Å; K196-A285 HydrophobicContact CD-CB 4.04Å
197A96.1Very high79Confident36 Ų3673.1 Ų73.130%0.29841%0.407SS..EExtended strand (participates in β ladder)trans-137.1153.6170.500000110.2I194 Y214 F215 Q216I194-A197 HydrophobicContact CG2-CB 3.84Å; A197-Y214 HydrophobicContact CB-CE1 3.96Å; A197-Y214 HydrophobicContact CB-CE2 4.45Å; A197-Y214 VanDerWaalsContact CB-OH 3.31Å; A197-Y214 WeakPolarHBondContact CB-OH 3.25Å; A197-F215 CarbonylContact C-O 3.51Å; A197-F215 WeakPolarHBondContact CA-O 3.39Å; A197-Q216 HydrophobicContact CB-CG 4.35Å
198G93.9Very high81.2Confident18 Ų1869.6 Ų69.619%0.18639%0.392CS..EExtended strand (participates in β ladder)trans164.6166-178.700000112.4F215G198-F215 PolarHBondContact N-O 3.04Å; G198-F215 PolarHBondContact O-N 3.49Å
199Y92.4Very high83.2Confident61 Ų6165.3 Ų65.324%0.23937%0.374CS..EExtended strand (participates in β ladder)trans-84.3137.2179.2-72.9-87000111.6P50 R212 R213 Y214 E228P50-Y199 HydrophobicContact CG-CD2 4.31Å; P50-Y199 HydrophobicContact CG-CG 4.41Å; Y199-R212 VanDerWaalsContact CB-CZ 3.45Å; Y199-R212 HydrophobicContact CD1-CG 4.07Å; Y199-R213 WeakPolarHBondContact CA-O 3.41Å; Y199-Y214 HydrophobicContact CD1-CD2 4.33Å; Y199-Y214 AromaticContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CE2 4.49Å; Y199-Y214 HydrophobicContact CE1-CD2 4.19Å; Y199-Y214 AromaticContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CE2 4.26Å; Y199-Y214 HydrophobicContact CG-CD2 4.17Å; Y199-Y214 AromaticContact CZ-CD2 3.84Å; Y199-E228 WeakPolarHBondContact OH-CB 3.42Å; Y199-E228 PolarHBondContact OH-N 2.78Å
200C93.5Very high85.5Confident0 Ų062.7 Ų62.70%035%0.353CS..EExtended strand (participates in β ladder)trans-137.8162.4169.8-54.30000110.2R212 R213 F215 V271 Q272 W282C200-R212 WeakPolarHBondContact O-CA 3.33Å; C200-R213 PolarHBondContact N-O 2.91Å; C200-R213 PolarHBondContact O-N 2.76Å; C200-R213 VanDerWaalsContact O-O 3.12Å; C200-F215 HydrophobicContact CB-CD2 3.76Å; C200-F215 HydrophobicContact CB-CE2 3.87Å; C200-V271 HydrophobicContact CB-CG1 3.36Å; C200-Q272 WeakPolarHBondContact CB-O 3.18Å; C200-W282 PolarHBondContact SG-NE1 3.41Å
201V92.2Very high87.1Confident2 Ų262.1 Ų62.11%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-102.5116.4177.6-179.70000109.6W210 R212 V271 Q272V201-W210 HydrophobicContact CG1-CB 3.74Å; V201-W210 HydrophobicContact CG1-CE3 4.17Å; V201-R212 HydrophobicContact CG2-CB 4.12Å; V201-R212 HydrophobicContact CG2-CG 4.17Å; V201-V271 CarbonylContact O-C 3.54Å; V201-V271 WeakPolarHBondContact O-CA 3.38Å; V201-Q272 HydrophobicContact CB-CB 4.33Å; V201-Q272 PolarHBondContact N-O 2.79Å; V201-Q272 PolarHBondContact O-N 3.4Å
202K93.3Very high88.8Confident13 Ų1356.8 Ų56.86%0.05731%0.308CS..EExtended strand (participates in β ladder)trans-113148.4-175.764.2160.7-58.3-58.40113.5W210 K211 R213 F215 Y224 Y270 V271K202-W210 WeakPolarHBondContact O-CA 3.38Å; K202-K211 WeakPolarHBondContact CG-O 3.45Å; K202-K211 PolarHBondContact N-O 3.2Å; K202-K211 PolarHBondContact O-N 2.76Å; K202-R213 HydrophobicContact CD-CB 4.43Å; K202-R213 HydrophobicContact CD-CG 3.97Å; K202-R213 HydrophobicContact CG-CB 4.39Å; K202-R213 HydrophobicContact CG-CG 3.95Å; K202-F215 HydrophobicContact CB-CE2 4.17Å; K202-F215 HydrophobicContact CB-CZ 3.86Å; K202-F215 HydrophobicContact CD-CE2 4.29Å; K202-F215 HydrophobicContact CD-CZ 3.8Å; K202-F215 HydrophobicContact CG-CE2 4.22Å; K202-F215 HydrophobicContact CG-CZ 4.06Å; K202-Y224 HydrophobicContact CD-CD1 4.23Å; K202-Y224 HydrophobicContact CD-CD2 3.96Å; K202-Y224 HydrophobicContact CD-CE1 4.13Å; K202-Y224 HydrophobicContact CD-CE2 3.88Å; K202-Y224 HydrophobicContact CD-CG 4.15Å; K202-Y270 WeakPolarHBondContact CA-O 3.48Å; K202-V271 HydrophobicContact CB-CG2 4.26Å
203Q92.4Very high90.2Very high21 Ų2155.3 Ų55.310%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-77.4134.9175.8-159.5-173.923.900112.4K208 W210 M254 R267 Y270Q203-K208 HydrophobicContact CG-CB 4.36Å; Q203-K208 HydrophobicContact CG-CD 4.46Å; Q203-K208 WeakPolarHBondContact CG-O 3.4Å; Q203-W210 HydrophobicContact CB-CD2 4.16Å; Q203-W210 HydrophobicContact CB-CE3 4.01Å; Q203-W210 HydrophobicContact CB-CH2 4.11Å; Q203-W210 HydrophobicContact CB-CZ2 4.26Å; Q203-W210 HydrophobicContact CB-CZ3 3.98Å; Q203-W210 HydrophobicContact CG-CD2 4.32Å; Q203-W210 HydrophobicContact CG-CZ2 4.26Å; Q203-M254 VanDerWaalsContact CD-CE 3.48Å; Q203-M254 VanDerWaalsContact OE1-CE 3.26Å; Q203-R267 PolarHBondContact O-NH2 3.17Å; Q203-Y270 PolarHBondContact N-O 2.84Å
204G88.4Confident90.5Very high12 Ų1253.8 Ų53.812%0.12428%0.279CS..  trans-62156.6175.800000113M207 N209 R267G204-M207 CarbonylContact C-O 3.55Å; G204-M207 VanDerWaalsContact CA-O 3.28Å; G204-M207 WeakPolarHBondContact CA-O 3.29Å; G204-N209 WeakPolarHBondContact CA-O 3.21Å; G204-N209 PolarHBondContact N-O 3Å; G204-R267 VanDerWaalsContact C-NH2 3.35Å; G204-R267 PolarHBondContact O-NH2 3.39Å
205A85Confident90.7Very high46 Ų4649.5 Ų49.538%0.3826%0.257SS..SBendtrans-72.8-60.9-176.700000112.1K208 R267A205-K208 PolarHBondContact O-NZ 3.23Å; A205-R267 VanDerWaalsContact CA-CZ 3.42Å; A205-R267 VanDerWaalsContact CA-NH1 3.28Å
206V83.6Confident90.7Very high140 Ų14047.8 Ų47.885%0.84825%0.247SC*.SBendtrans-87-74.3-176.3-177.60000108.1K208V206-K208 PolarHBondContact O-N 2.98Å
207M81.3Confident90.8Very high133 Ų13346 Ų4666%0.65524%0.239SC*.SBendtrans-73.2118.4170.4-15566.6-178.300108.4G204 N209G204-M207 CarbonylContact C-O 3.55Å; G204-M207 VanDerWaalsContact CA-O 3.28Å; G204-M207 WeakPolarHBondContact CA-O 3.29Å; M207-N209 VanDerWaalsContact CG-ND2 3.32Å; M207-N209 WeakPolarHBondContact CG-ND2 3.44Å; M207-N209 PolarHBondContact O-N 2.86Å
208K85.3Confident90.8Very high118 Ų11845 Ų4551%0.51323%0.229SC..  trans-70.526.4-176.4-62.8-52.4-176.6-169.30114.1Q203 A205 V206Q203-K208 HydrophobicContact CG-CB 4.36Å; Q203-K208 HydrophobicContact CG-CD 4.46Å; Q203-K208 WeakPolarHBondContact CG-O 3.4Å; A205-K208 PolarHBondContact O-NZ 3.23Å; V206-K208 PolarHBondContact O-N 2.98Å
209N84.7Confident90.7Very high84 Ų8449.2 Ų49.245%0.44924%0.244SC..  trans-69.8141.8176.9-66.1-11.7000110.5G204 M207G204-N209 WeakPolarHBondContact CA-O 3.21Å; G204-N209 PolarHBondContact N-O 3Å; M207-N209 VanDerWaalsContact CG-ND2 3.32Å; M207-N209 WeakPolarHBondContact CG-ND2 3.44Å; M207-N209 PolarHBondContact O-N 2.86Å
210W88.8Confident90.8Very high37 Ų3750.2 Ų50.214%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-88.3134.1176.2-65.188.7000109.6V201 K202 Q203 M254 R256 L259V201-W210 HydrophobicContact CG1-CB 3.74Å; V201-W210 HydrophobicContact CG1-CE3 4.17Å; K202-W210 WeakPolarHBondContact O-CA 3.38Å; Q203-W210 HydrophobicContact CB-CD2 4.16Å; Q203-W210 HydrophobicContact CB-CE3 4.01Å; Q203-W210 HydrophobicContact CB-CH2 4.11Å; Q203-W210 HydrophobicContact CB-CZ2 4.26Å; Q203-W210 HydrophobicContact CB-CZ3 3.98Å; Q203-W210 HydrophobicContact CG-CD2 4.32Å; Q203-W210 HydrophobicContact CG-CZ2 4.26Å; W210-M254 HydrophobicContact CH2-CE 3.81Å; W210-M254 HydrophobicContact CH2-SD 4.37Å; W210-M254 HydrophobicContact CZ2-CB 4.44Å; W210-M254 HydrophobicContact CZ2-CE 3.42Å; W210-M254 VanDerWaalsContact CZ2-CE 3.42Å; W210-M254 HydrophobicContact CZ2-SD 4.27Å; W210-R256 HydrophobicContact CZ2-CG 4.23Å; W210-L259 HydrophobicContact CH2-CD1 3.47Å; W210-L259 VanDerWaalsContact CH2-CD1 3.47Å; W210-L259 HydrophobicContact CH2-CD2 4.27Å; W210-L259 HydrophobicContact CZ3-CD1 3.66Å
211K88.4Confident90.9Very high105 Ų10551.6 Ų51.646%0.45726%0.262SS..EExtended strand (participates in β ladder)trans-135.9130.7-178.2-65.4-170.3178-174.40109.7K202K202-K211 WeakPolarHBondContact CG-O 3.45Å; K202-K211 PolarHBondContact N-O 3.2Å; K202-K211 PolarHBondContact O-N 2.76Å
212R89.1Confident91.1Very high16 Ų1651.6 Ų51.66%0.0626%0.262CS..EExtended strand (participates in β ladder)trans-70.1135.1170.3-161.9170.3-174.293.4-3.2110.5N48 P50 Y199 C200 V201 D274N48-R212 WeakPolarHBondContact O-CB 3.45Å; N48-R212 WeakPolarHBondContact O-CD 3.35Å; N48-R212 WeakPolarHBondContact O-CG 3.23Å; P50-R212 VanDerWaalsContact CG-CZ 3.45Å; P50-R212 VanDerWaalsContact CG-NE 3.27Å; Y199-R212 VanDerWaalsContact CB-CZ 3.45Å; Y199-R212 HydrophobicContact CD1-CG 4.07Å; C200-R212 WeakPolarHBondContact O-CA 3.33Å; V201-R212 HydrophobicContact CG2-CB 4.12Å; V201-R212 HydrophobicContact CG2-CG 4.17Å; R212-D274 IonicContact CZ-OD1 3.51Å; R212-D274 IonicContact CZ-OD2 3.66Å; R212-D274 IonicContact NH1-OD1 3.91Å; R212-D274 PolarHBondContact NH1-OD1 2.85Å; R212-D274 IonicContact NH1-OD2 3.65Å; R212-D274 IonicContact NH2-OD1 3.32Å; R212-D274 PolarHBondContact NH2-OD1 3.18Å; R212-D274 IonicContact NH2-OD2 2.72Å; R212-D274 PolarHBondContact NH2-OD2 3.13Å
213R93.4Very high91.3Very high50 Ų5051.1 Ų51.119%0.18926%0.261CS..EExtended strand (participates in β ladder)trans-142.9147.2180-65.5-62.6179.7-120.916.4109.1Y199 C200 K202 F215 Y224 F225 L234Y199-R213 WeakPolarHBondContact CA-O 3.41Å; C200-R213 PolarHBondContact N-O 2.91Å; C200-R213 PolarHBondContact O-N 2.76Å; C200-R213 VanDerWaalsContact O-O 3.12Å; K202-R213 HydrophobicContact CD-CB 4.43Å; K202-R213 HydrophobicContact CD-CG 3.97Å; K202-R213 HydrophobicContact CG-CB 4.39Å; K202-R213 HydrophobicContact CG-CG 3.95Å; R213-F215 HydrophobicContact CB-CD2 4.3Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; R213-F215 WeakPolarHBondContact O-CD2 3.21Å; R213-Y224 HydrophobicContact CB-CD2 4.24Å; R213-Y224 HydrophobicContact CG-CD2 4.07Å; R213-F225 WeakPolarHBondContact CA-O 3.39Å; R213-F225 WeakPolarHBondContact CB-O 3.45Å; R213-F225 WeakPolarHBondContact CD-O 3.24Å; R213-L234 VanDerWaalsContact NE-CD1 3.29Å
214Y93.6Very high91.4Very high26 Ų2651 Ų5110%0.10226%0.26CS..EExtended strand (participates in β ladder)trans-81.4117.8171.3-174.2-101000107.7A197 Y199 Y224 F225 E228A197-Y214 HydrophobicContact CB-CE1 3.96Å; A197-Y214 HydrophobicContact CB-CE2 4.45Å; A197-Y214 VanDerWaalsContact CB-OH 3.31Å; A197-Y214 WeakPolarHBondContact CB-OH 3.25Å; Y199-Y214 HydrophobicContact CD1-CD2 4.33Å; Y199-Y214 AromaticContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CD2 3.86Å; Y199-Y214 HydrophobicContact CD2-CE2 4.49Å; Y199-Y214 HydrophobicContact CE1-CD2 4.19Å; Y199-Y214 AromaticContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CD2 3.67Å; Y199-Y214 HydrophobicContact CE2-CE2 4.26Å; Y199-Y214 HydrophobicContact CG-CD2 4.17Å; Y199-Y214 AromaticContact CZ-CD2 3.84Å; Y214-Y224 CarbonylContact O-C 3.57Å; Y214-Y224 WeakPolarHBondContact O-CA 3.32Å; Y214-F225 HydrophobicContact CD1-CD2 4.2Å; Y214-F225 PolarHBondContact N-O 2.91Å; Y214-F225 VanDerWaalsContact N-O 3.1Å; Y214-F225 PolarHBondContact O-N 2.96Å; Y214-E228 HydrophobicContact CD1-CB 4.3Å; Y214-E228 HydrophobicContact CD2-CB 3.79Å; Y214-E228 HydrophobicContact CD2-CG 4.31Å; Y214-E228 HydrophobicContact CE1-CB 4.31Å; Y214-E228 HydrophobicContact CE1-CG 4.14Å; Y214-E228 HydrophobicContact CE2-CB 3.77Å; Y214-E228 HydrophobicContact CE2-CG 3.77Å; Y214-E228 WeakPolarHBondContact CE2-OE1 3.39Å; Y214-E228 HydrophobicContact CG-CB 4.02Å; Y214-E228 PolarHBondContact OH-OE1 3.42Å
215F96.8Very high91.7Very high4 Ų451.3 Ų51.32%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-96.3143.9176.4-79.3-102.3000109.6A197 G198 C200 K202 R213 I222 G223 Y224 V271 W282A197-F215 CarbonylContact C-O 3.51Å; A197-F215 WeakPolarHBondContact CA-O 3.39Å; G198-F215 PolarHBondContact N-O 3.04Å; G198-F215 PolarHBondContact O-N 3.49Å; C200-F215 HydrophobicContact CB-CD2 3.76Å; C200-F215 HydrophobicContact CB-CE2 3.87Å; K202-F215 HydrophobicContact CB-CE2 4.17Å; K202-F215 HydrophobicContact CB-CZ 3.86Å; K202-F215 HydrophobicContact CD-CE2 4.29Å; K202-F215 HydrophobicContact CD-CZ 3.8Å; K202-F215 HydrophobicContact CG-CE2 4.22Å; K202-F215 HydrophobicContact CG-CZ 4.06Å; R213-F215 HydrophobicContact CB-CD2 4.3Å; R213-F215 HydrophobicContact CB-CE2 3.95Å; R213-F215 WeakPolarHBondContact O-CD2 3.21Å; F215-I222 HydrophobicContact CD1-CG2 3.99Å; F215-G223 WeakPolarHBondContact CA-O 3.05Å; F215-Y224 AromaticContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CG 4.25Å; F215-Y224 HydrophobicContact CZ-CD1 4.3Å; F215-Y224 HydrophobicContact CZ-CG 4.31Å; F215-V271 HydrophobicContact CE1-CG2 4.29Å; F215-V271 HydrophobicContact CE2-CG1 4.19Å; F215-V271 HydrophobicContact CZ-CG1 4.1Å; F215-V271 HydrophobicContact CZ-CG2 3.98Å; F215-W282 HydrophobicContact CB-CH2 3.7Å; F215-W282 HydrophobicContact CB-CZ2 4.06Å; F215-W282 HydrophobicContact CB-CZ3 4.29Å
216Q97.1Very high91.9Very high43 Ų4355.1 Ų55.120%0.20127%0.266CS..EExtended strand (participates in β ladder)trans-134.9124174.8-168.4173.148.800107.8I194 A197 I222 G223 F225I194-Q216 HydrophobicContact CG1-CG 4.04Å; I194-Q216 HydrophobicContact CG2-CG 3.87Å; A197-Q216 HydrophobicContact CB-CG 4.35Å; Q216-I222 CarbonylContact O-C 3.57Å; Q216-I222 WeakPolarHBondContact O-CA 3.28Å; Q216-G223 PolarHBondContact N-O 3.4Å; Q216-G223 PolarHBondContact O-N 2.89Å; Q216-F225 HydrophobicContact CB-CE2 3.89Å
217L97.3Very high92.2Very high0 Ų050 Ų500%024%0.236CC..EExtended strand (participates in β ladder)trans-106124171.5170.373000107.4I195 K196 I222 L239 W282 A285 I286 A289I195-L217 HydrophobicContact CB-CD2 4.06Å; I195-L217 HydrophobicContact CB-CG 4.12Å; I195-L217 HydrophobicContact CD1-CG 4.45Å; I195-L217 HydrophobicContact CG2-CD2 3.95Å; I195-L217 PolarHBondContact N-O 3.21Å; K196-L217 PolarHBondContact N-O 3.17Å; K196-L217 PolarHBondContact O-N 2.99Å; L217-I222 HydrophobicContact CD1-CD1 4.41Å; L217-I222 HydrophobicContact CD1-CG1 3.61Å; L217-L239 HydrophobicContact CD1-CD1 4.14Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; L217-W282 HydrophobicContact CB-CZ3 4.04Å; L217-A285 VanDerWaalsContact CD2-C 3.44Å; L217-A285 HydrophobicContact CD2-CB 3.61Å; L217-I286 HydrophobicContact CD1-CG1 4.22Å; L217-I286 HydrophobicContact CD2-CG1 4.02Å; L217-A289 HydrophobicContact CD1-CB 4.19Å; L217-A289 HydrophobicContact CD2-CB 4.47Å
218D95.3Very high92.5Very high15 Ų1549 Ų498%0.0823%0.23CC..  trans-114.8-177.2167.942.628.5000109.8N192 N220 T221N192-D218 HydrophobicContact CB-CB 3.95Å; D218-N220 PolarHBondContact O-N 3.1Å; D218-T221 PolarHBondContact N-O 2.95Å; D218-T221 VanDerWaalsContact N-O 3.15Å; D218-T221 VanDerWaalsContact OD1-CA 3.22Å; D218-T221 WeakPolarHBondContact OD1-CA 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.34Å; D218-T221 PolarHBondContact OD1-N 3.36Å; D218-T221 PolarHBondContact OD1-OG1 3.2Å; D218-T221 PolarHBondContact OD2-OG1 3.46Å
219E93.4Very high92.6Very high107 Ų10751 Ų5150%0.525%0.245SC..SBendtrans-63-22.4-176.3-63.4-178.4-172.200113.2I195 Q293I195-E219 HydrophobicContact CD1-CG 4.17Å; I195-E219 HydrophobicContact CG1-CG 4.49Å; E219-Q293 PolarHBondContact O-NE2 3.09Å
220N93.9Very high92.8Very high82 Ų8251.1 Ų51.144%0.43924%0.243SC..SBendtrans-114.5-28.5-172.5-66.792.1000114.6D218 L239 Q293D218-N220 PolarHBondContact O-N 3.1Å; N220-L239 WeakPolarHBondContact O-CB 3.25Å; N220-L239 WeakPolarHBondContact O-CG 3.18Å; N220-L239 PolarHBondContact O-N 2.83Å; N220-Q293 VanDerWaalsContact CA-NE2 3.3Å
221T96.2Very high92.7Very high30 Ų3058.9 Ų58.918%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-144.9167.2-167.775.90000113.7D218 V236 I237D218-T221 PolarHBondContact N-O 2.95Å; D218-T221 VanDerWaalsContact N-O 3.15Å; D218-T221 VanDerWaalsContact OD1-CA 3.22Å; D218-T221 WeakPolarHBondContact OD1-CA 3.29Å; D218-T221 WeakPolarHBondContact OD1-CB 3.34Å; D218-T221 PolarHBondContact OD1-N 3.36Å; D218-T221 PolarHBondContact OD1-OG1 3.2Å; D218-T221 PolarHBondContact OD2-OG1 3.46Å; T221-V236 HydrophobicContact CG2-CG1 3.64Å; T221-I237 CarbonylContact C-O 3.45Å; T221-I237 WeakPolarHBondContact CA-O 3.49Å
222I96.8Very high92.9Very high1 Ų161.6 Ų61.61%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-118.3108.2165-58.7162.8000106.8F215 Q216 L217 I237 L239 V242 I262 I286F215-I222 HydrophobicContact CD1-CG2 3.99Å; Q216-I222 CarbonylContact O-C 3.57Å; Q216-I222 WeakPolarHBondContact O-CA 3.28Å; L217-I222 HydrophobicContact CD1-CD1 4.41Å; L217-I222 HydrophobicContact CD1-CG1 3.61Å; I222-I237 HydrophobicContact CB-CB 4.29Å; I222-I237 PolarHBondContact N-O 2.74Å; I222-I237 WeakPolarHBondContact O-CB 3.11Å; I222-I237 PolarHBondContact O-N 3.09Å; I222-L239 HydrophobicContact CD1-CD2 3.65Å; I222-L239 HydrophobicContact CG1-CD2 3.66Å; I222-V242 HydrophobicContact CD1-CG2 4.49Å; I222-I262 HydrophobicContact CD1-CD1 4.25Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; I222-I286 HydrophobicContact CD1-CB 4.48Å; I222-I286 HydrophobicContact CD1-CD1 3.92Å; I222-I286 HydrophobicContact CD1-CG1 3.88Å; I222-I286 HydrophobicContact CD1-CG2 3.8Å; I222-I286 HydrophobicContact CG1-CG1 4.48Å
223G96.2Very high93.1Very high4 Ų463.3 Ų63.34%0.04131%0.305CS..EExtended strand (participates in β ladder)trans-91.4147.9171.600000111.2F215 Q216 R235F215-G223 WeakPolarHBondContact CA-O 3.05Å; Q216-G223 PolarHBondContact N-O 3.4Å; Q216-G223 PolarHBondContact O-N 2.89Å; G223-R235 WeakPolarHBondContact CA-O 3.31Å
224Y95.8Very high93.1Very high19 Ų1965.3 Ų65.38%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-132.3142.9160.566-98.8000112.7K202 R213 Y214 F215 L234 R235 I237 F269K202-Y224 HydrophobicContact CD-CD1 4.23Å; K202-Y224 HydrophobicContact CD-CD2 3.96Å; K202-Y224 HydrophobicContact CD-CE1 4.13Å; K202-Y224 HydrophobicContact CD-CE2 3.88Å; K202-Y224 HydrophobicContact CD-CG 4.15Å; R213-Y224 HydrophobicContact CB-CD2 4.24Å; R213-Y224 HydrophobicContact CG-CD2 4.07Å; Y214-Y224 CarbonylContact O-C 3.57Å; Y214-Y224 WeakPolarHBondContact O-CA 3.32Å; F215-Y224 AromaticContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CD1 3.99Å; F215-Y224 HydrophobicContact CE1-CG 4.25Å; F215-Y224 HydrophobicContact CZ-CD1 4.3Å; F215-Y224 HydrophobicContact CZ-CG 4.31Å; Y224-L234 HydrophobicContact CD2-CB 3.9Å; Y224-L234 HydrophobicContact CD2-CD1 4.12Å; Y224-L234 HydrophobicContact CE2-CB 3.67Å; Y224-L234 HydrophobicContact CE2-CD1 4.18Å; Y224-L234 WeakPolarHBondContact O-CB 3.48Å; Y224-L234 PolarHBondContact O-N 2.68Å; Y224-R235 HydrophobicContact CD1-CB 4.3Å; Y224-R235 HydrophobicContact CE1-CB 3.55Å; Y224-R235 HydrophobicContact CE1-CG 4.22Å; Y224-R235 HydrophobicContact CE2-CB 4.2Å; Y224-R235 VanDerWaalsContact CZ-CB 3.46Å; Y224-R235 PolarHBondContact N-O 2.87Å; Y224-R235 WeakPolarHBondContact OH-CB 3.45Å; Y224-R235 PolarHBondContact OH-NE 3.37Å; Y224-I237 HydrophobicContact CE1-CD1 4.47Å; Y224-F269 HydrophobicContact CE1-CE1 4.21Å
225F94.5Very high93.1Very high17 Ų1768.9 Ų68.98%0.07533%0.332CS..EExtended strand (participates in β ladder)trans-122.3160.1-170.3-56.4-102.9000110.2R213 Y214 Q216 S227 E230 E232 P233R213-F225 WeakPolarHBondContact CA-O 3.39Å; R213-F225 WeakPolarHBondContact CB-O 3.45Å; R213-F225 WeakPolarHBondContact CD-O 3.24Å; Y214-F225 HydrophobicContact CD1-CD2 4.2Å; Y214-F225 PolarHBondContact N-O 2.91Å; Y214-F225 VanDerWaalsContact N-O 3.1Å; Y214-F225 PolarHBondContact O-N 2.96Å; Q216-F225 HydrophobicContact CB-CE2 3.89Å; F225-S227 VanDerWaalsContact C-N 3.32Å; F225-S227 VanDerWaalsContact CB-O 3.28Å; F225-S227 WeakPolarHBondContact CB-O 3.33Å; F225-E230 HydrophobicContact CB-CB 4.45Å; F225-E230 WeakPolarHBondContact CD1-O 3.19Å; F225-E232 VanDerWaalsContact CD1-C 3.47Å; F225-E232 WeakPolarHBondContact CD1-O 3.41Å; F225-P233 VanDerWaalsContact CD1-CA 3.47Å; F225-P233 HydrophobicContact CD1-CB 4.12Å; F225-P233 VanDerWaalsContact CE1-CA 3.45Å; F225-P233 HydrophobicContact CE1-CB 3.67Å; F225-P233 HydrophobicContact CE1-CG 4.18Å; F225-P233 HydrophobicContact CE2-CB 4.23Å; F225-P233 HydrophobicContact CZ-CB 3.73Å; F225-P233 HydrophobicContact CZ-CG 4.32Å
226K89.3Confident93.1Very high127 Ų12772 Ų7255%0.55235%0.352SS*.SBendtrans-64.8-40.1174.7-176.1-176.1173.7-167.60110.8E230 L234K226-E230 HydrophobicContact CB-CG 4.17Å; K226-L234 HydrophobicContact CB-CD1 4.21Å
227S89Confident93Very high32 Ų3270 Ų7022%0.22434%0.343CS..SBendtrans-149.7172.2171.166.90000110.1F225 L229 E230F225-S227 VanDerWaalsContact C-N 3.32Å; F225-S227 VanDerWaalsContact CB-O 3.28Å; F225-S227 WeakPolarHBondContact CB-O 3.33Å; S227-L229 PolarHBondContact O-N 2.99Å; S227-E230 PolarHBondContact O-N 2.9Å; S227-E230 WeakPolarHBondContact OG-CG 3.47Å
228E88.1Confident92.9Very high112 Ų11271.5 Ų71.552%0.52335%0.352SS..THydrogen-bonded Turntrans-63.3-22.7176.5-179.6167.3-136.800114.2Y199 Y214 E230Y199-E228 WeakPolarHBondContact OH-CB 3.42Å; Y199-E228 PolarHBondContact OH-N 2.78Å; Y214-E228 HydrophobicContact CD1-CB 4.3Å; Y214-E228 HydrophobicContact CD2-CB 3.79Å; Y214-E228 HydrophobicContact CD2-CG 4.31Å; Y214-E228 HydrophobicContact CE1-CB 4.31Å; Y214-E228 HydrophobicContact CE1-CG 4.14Å; Y214-E228 HydrophobicContact CE2-CB 3.77Å; Y214-E228 HydrophobicContact CE2-CG 3.77Å; Y214-E228 WeakPolarHBondContact CE2-OE1 3.39Å; Y214-E228 HydrophobicContact CG-CB 4.02Å; Y214-E228 PolarHBondContact OH-OE1 3.42Å; E228-E230 VanDerWaalsContact C-N 3.34Å
229L86.6Confident92.9Very high160 Ų16070.9 Ų70.984%0.83835%0.349SS*.THydrogen-bonded Turntrans-84.1-11.9-177.8-58.8176.9000113.2S227S227-L229 PolarHBondContact O-N 2.99Å
230E88.6Confident92.9Very high86 Ų8673.7 Ų73.740%0.40236%0.36SS..  trans-81.2131.4-175.9-64.2-86.6-159.600109.8F225 K226 S227 E228F225-E230 HydrophobicContact CB-CB 4.45Å; F225-E230 WeakPolarHBondContact CD1-O 3.19Å; K226-E230 HydrophobicContact CB-CG 4.17Å; S227-E230 PolarHBondContact O-N 2.9Å; S227-E230 WeakPolarHBondContact OG-CG 3.47Å; E228-E230 VanDerWaalsContact C-N 3.34Å
231K87.7Confident93Very high200 Ų20073.1 Ų73.187%0.8735%0.354SS*.SBendtrans-79.9-28-179.6-65.8-175.1178.6-179.40112.9
232E91.4Very high93Very high163 Ų16371.8 Ų71.876%0.76235%0.346SS*.SBendtrans-101.4125.4-175.6-67.2-168.8168.400111.8F225F225-E232 VanDerWaalsContact CD1-C 3.47Å; F225-E232 WeakPolarHBondContact CD1-O 3.41Å
233P94.2Very high92.9Very high51 Ų5177.4 Ų77.433%0.33137%0.372SS..  trans-69.3136.2174.527-31.7000109.8F225 R235 V236F225-P233 VanDerWaalsContact CD1-CA 3.47Å; F225-P233 HydrophobicContact CD1-CB 4.12Å; F225-P233 VanDerWaalsContact CE1-CA 3.45Å; F225-P233 HydrophobicContact CE1-CB 3.67Å; F225-P233 HydrophobicContact CE1-CG 4.18Å; F225-P233 HydrophobicContact CE2-CB 4.23Å; F225-P233 HydrophobicContact CZ-CB 3.73Å; F225-P233 HydrophobicContact CZ-CG 4.32Å; P233-R235 PolarHBondContact O-N 3.05Å; P233-V236 HydrophobicContact CB-CG2 3.83Å; P233-V236 HydrophobicContact CG-CG2 3.35Å
234L93.3Very high92.8Very high93 Ų9381.9 Ų81.949%0.48739%0.39SS..SBendtrans-62.8-30.1170.7-68.2169.5000111.4R213 Y224 K226R213-L234 VanDerWaalsContact NE-CD1 3.29Å; Y224-L234 HydrophobicContact CD2-CB 3.9Å; Y224-L234 HydrophobicContact CD2-CD1 4.12Å; Y224-L234 HydrophobicContact CE2-CB 3.67Å; Y224-L234 HydrophobicContact CE2-CD1 4.18Å; Y224-L234 WeakPolarHBondContact O-CB 3.48Å; Y224-L234 PolarHBondContact O-N 2.68Å; K226-L234 HydrophobicContact CB-CD1 4.21Å
235R94.6Very high92.8Very high100 Ų10081.8 Ų81.838%0.37739%0.392SS..EExtended strand (participates in β ladder)trans-158.8143.4171.2-175.8175.4-66.6-150.1-10109.4G223 Y224 P233 I237G223-R235 WeakPolarHBondContact CA-O 3.31Å; Y224-R235 HydrophobicContact CD1-CB 4.3Å; Y224-R235 HydrophobicContact CE1-CB 3.55Å; Y224-R235 HydrophobicContact CE1-CG 4.22Å; Y224-R235 HydrophobicContact CE2-CB 4.2Å; Y224-R235 VanDerWaalsContact CZ-CB 3.46Å; Y224-R235 PolarHBondContact N-O 2.87Å; Y224-R235 WeakPolarHBondContact OH-CB 3.45Å; Y224-R235 PolarHBondContact OH-NE 3.37Å; P233-R235 PolarHBondContact O-N 3.05Å; R235-I237 HydrophobicContact CG-CG1 4.3Å
236V95.7Very high93Very high69 Ų6983 Ų8342%0.41840%0.398SS..EExtended strand (participates in β ladder)trans-107.7132.7166.9-177.50000108T221 P233T221-V236 HydrophobicContact CG2-CG1 3.64Å; P233-V236 HydrophobicContact CB-CG2 3.83Å; P233-V236 HydrophobicContact CG-CG2 3.35Å
237I96.1Very high93.3Very high3 Ų382.1 Ų82.12%0.01540%0.395CS..EExtended strand (participates in β ladder)trans-113.8105.9176.6-57167.3000107T221 I222 Y224 R235 L239 V242 T264 F269T221-I237 CarbonylContact C-O 3.45Å; T221-I237 WeakPolarHBondContact CA-O 3.49Å; I222-I237 HydrophobicContact CB-CB 4.29Å; I222-I237 PolarHBondContact N-O 2.74Å; I222-I237 WeakPolarHBondContact O-CB 3.11Å; I222-I237 PolarHBondContact O-N 3.09Å; Y224-I237 HydrophobicContact CE1-CD1 4.47Å; R235-I237 HydrophobicContact CG-CG1 4.3Å; I237-L239 PolarHBondContact O-N 3.42Å; I237-V242 HydrophobicContact CG2-CG2 4.03Å; I237-T264 HydrophobicContact CG2-CG2 3.69Å; I237-F269 HydrophobicContact CD1-CD1 4.13Å; I237-F269 HydrophobicContact CD1-CD2 3.89Å; I237-F269 HydrophobicContact CD1-CE1 3.84Å; I237-F269 HydrophobicContact CD1-CE2 3.59Å; I237-F269 HydrophobicContact CD1-CG 4.15Å; I237-F269 HydrophobicContact CD1-CZ 3.55Å; I237-F269 HydrophobicContact CG1-CE2 4.15Å; I237-F269 HydrophobicContact CG1-CZ 3.97Å
238P95.3Very high93.6Very high31 Ų3180.7 Ų80.720%0.20139%0.385CS..EExtended strand (participates in β ladder)trans-61.9132.5176.2-23.134.9000111.1K240 E241P238-K240 HydrophobicContact CB-CD 4.35Å; P238-K240 HydrophobicContact CB-CG 3.7Å; P238-K240 PolarHBondContact O-N 2.81Å; P238-K240 VanDerWaalsContact O-N 3.16Å; P238-E241 HydrophobicContact CB-CG 4.26Å; P238-E241 HydrophobicContact CG-CG 4.48Å; P238-E241 WeakPolarHBondContact O-CB 3.43Å; P238-E241 PolarHBondContact O-N 3.2Å
239L95Very high93.7Very high2 Ų283.1 Ų83.11%0.0139%0.394CS..G310 helixtrans-61.6-27180-69.9179.6000112.7L217 N220 I222 I237 E241 V242 I286 A289 I290L217-L239 HydrophobicContact CD1-CD1 4.14Å; L217-L239 HydrophobicContact CD1-CD2 4.01Å; N220-L239 WeakPolarHBondContact O-CB 3.25Å; N220-L239 WeakPolarHBondContact O-CG 3.18Å; N220-L239 PolarHBondContact O-N 2.83Å; I222-L239 HydrophobicContact CD1-CD2 3.65Å; I222-L239 HydrophobicContact CG1-CD2 3.66Å; I237-L239 PolarHBondContact O-N 3.42Å; L239-E241 PolarHBondContact O-N 2.76Å; L239-V242 HydrophobicContact CD2-CG2 4.33Å; L239-V242 WeakPolarHBondContact O-CB 3.18Å; L239-V242 PolarHBondContact O-N 2.78Å; L239-I286 HydrophobicContact CD2-CG2 4.33Å; L239-A289 HydrophobicContact CD1-CB 3.53Å; L239-I290 HydrophobicContact CB-CG1 4.21Å; L239-I290 HydrophobicContact CD2-CG1 4.09Å
240K93.3Very high93.7Very high166 Ų16679.4 Ų79.472%0.72237%0.373SS*.G310 helixtrans-59-26171.763.7175.8-177.5178.90114P238P238-K240 HydrophobicContact CB-CD 4.35Å; P238-K240 HydrophobicContact CB-CG 3.7Å; P238-K240 PolarHBondContact O-N 2.81Å; P238-K240 VanDerWaalsContact O-N 3.16Å
241E94.8Very high93.7Very high70 Ų7076.1 Ų76.133%0.32736%0.359SS..G310 helixtrans-88.7-10.6177.8-64.8176.5-163.500112.3P238 L239 H243 T264 T265P238-E241 HydrophobicContact CB-CG 4.26Å; P238-E241 HydrophobicContact CG-CG 4.48Å; P238-E241 WeakPolarHBondContact O-CB 3.43Å; P238-E241 PolarHBondContact O-N 3.2Å; L239-E241 PolarHBondContact O-N 2.76Å; E241-H243 PolarHBondContact O-N 2.92Å; E241-T264 CarbonylContact O-C 3.56Å; E241-T264 WeakPolarHBondContact O-CA 3.42Å; E241-T264 WeakPolarHBondContact O-CB 3.43Å; E241-T265 PolarHBondContact O-N 2.88Å; E241-T265 VanDerWaalsContact O-N 3.13Å; E241-T265 PolarHBondContact O-OG1 2.84Å
242V96.3Very high93.5Very high2 Ų270.6 Ų70.61%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-81.6112.4179.8-176.40000109I222 I237 L239 I262 T264 I290I222-V242 HydrophobicContact CD1-CG2 4.49Å; I237-V242 HydrophobicContact CG2-CG2 4.03Å; L239-V242 HydrophobicContact CD2-CG2 4.33Å; L239-V242 WeakPolarHBondContact O-CB 3.18Å; L239-V242 PolarHBondContact O-N 2.78Å; V242-I262 HydrophobicContact CG1-CG2 3.75Å; V242-I262 HydrophobicContact CG2-CG2 4.01Å; V242-T264 HydrophobicContact CG2-CG2 4.28Å; V242-I290 HydrophobicContact CB-CD1 3.87Å; V242-I290 HydrophobicContact CG1-CD1 3.61Å
243H94.7Very high93.2Very high118 Ų11869.6 Ų69.655%0.54634%0.337SS..EExtended strand (participates in β ladder)trans-84-34.3176.7-64.8-46.9000112E241 V263 T265E241-H243 PolarHBondContact O-N 2.92Å; H243-V263 PolarHBondContact N-O 3.05Å; H243-T265 PolarHBondContact CD2-N 2.91Å; H243-T265 PolarHBondContact CE1-OG1 3.3Å; H243-T265 WeakPolarHBondContact NE2-CA 3.4Å; H243-T265 PolarHBondContact NE2-OG1 3.35Å
244K94.1Very high92.8Very high99 Ų9969 Ų6943%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-155.6144-174.4-160.3179.6-168.9-169.60111.3Q246 V263K244-Q246 HydrophobicContact CD-CG 4.27Å; K244-Q246 HydrophobicContact CG-CG 4.43Å; K244-V263 HydrophobicContact CB-CB 3.98Å; K244-V263 HydrophobicContact CB-CG2 4.13Å; K244-V263 PolarHBondContact N-O 2.75Å; K244-V263 PolarHBondContact O-N 2.91Å
245V97.2Very high92.6Very high17 Ų1766.9 Ų66.910%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-131.3128164.991.60000108.5F260 E261 I262 I283 I286 S287V245-F260 HydrophobicContact CG2-CD2 4.25Å; V245-E261 WeakPolarHBondContact CA-O 3.3Å; V245-E261 WeakPolarHBondContact CG2-O 3.37Å; V245-I262 HydrophobicContact CG2-CB 4.32Å; V245-I262 HydrophobicContact CG2-CG1 3.83Å; V245-I262 HydrophobicContact CG2-CG2 4.41Å; V245-I283 HydrophobicContact CG1-CG2 4.07Å; V245-I283 WeakPolarHBondContact CG1-O 3.45Å; V245-I286 HydrophobicContact CB-CG2 4.05Å; V245-I286 HydrophobicContact CG1-CB 4.17Å; V245-I286 HydrophobicContact CG1-CG2 4.01Å; V245-I286 HydrophobicContact CG2-CB 4.37Å; V245-I286 HydrophobicContact CG2-CD1 4.06Å; V245-I286 HydrophobicContact CG2-CG2 4.02Å; V245-S287 WeakPolarHBondContact CG1-OG 3.4Å
246Q96.9Very high92.4Very high43 Ų4362.3 Ų62.320%0.20130%0.301CS..EExtended strand (participates in β ladder)trans-160.3167.4-175.962.6169.616.400112.2K244 F260 E261K244-Q246 HydrophobicContact CD-CG 4.27Å; K244-Q246 HydrophobicContact CG-CG 4.43Å; Q246-F260 CarbonylContact O-C 3.56Å; Q246-F260 VanDerWaalsContact O-CA 3.32Å; Q246-F260 WeakPolarHBondContact O-CA 3.48Å; Q246-F260 WeakPolarHBondContact O-CB 3.26Å; Q246-E261 HydrophobicContact CG-CG 3.81Å; Q246-E261 PolarHBondContact N-O 3.16Å; Q246-E261 VanDerWaalsContact N-O 3.14Å; Q246-E261 PolarHBondContact NE2-OE1 3.43Å; Q246-E261 PolarHBondContact O-N 3.24Å
247E96.8Very high92.2Very high107 Ų10760.4 Ų60.450%0.529%0.289SS..EExtended strand (participates in β ladder)trans-60.3137.4167.3-170.8176.1-177.600110.7K249 M279 I283E247-K249 PolarHBondContact O-N 2.79Å; E247-M279 HydrophobicContact CG-CE 4.01Å; E247-M279 HydrophobicContact CG-SD 4.15Å; E247-I283 HydrophobicContact CB-CD1 4.5Å
248C94.6Very high92.1Very high2 Ų261.7 Ų61.71%0.01430%0.296CS..  trans-79.2117.9-176.7-176.70000110.5Q250 S251 L259 Y270C248-Q250 PolarHBondContact O-N 2.97Å; C248-Q250 PolarHBondContact SG-N 3.24Å; C248-Q250 VanDerWaalsContact SG-N 3.44Å; C248-S251 WeakPolarHBondContact O-CB 3.4Å; C248-S251 PolarHBondContact O-N 2.89Å; C248-S251 PolarHBondContact O-OG 3.36Å; C248-L259 HydrophobicContact CB-CB 4.11Å; C248-L259 HydrophobicContact CB-CD2 3.72Å; C248-L259 HydrophobicContact CB-CG 3.68Å; C248-L259 VanDerWaalsContact CB-O 3.27Å; C248-L259 WeakPolarHBondContact CB-O 3.27Å; C248-L259 PolarHBondContact N-O 2.89Å; C248-Y270 VanDerWaalsContact SG-CE1 3.57Å
249K89.9Confident92.1Very high164 Ų16460.3 Ų60.371%0.71329%0.287SS*.THydrogen-bonded Turntrans-69.4-17.8176.8-62.9-174.7177.6-173.70113E247 S251E247-K249 PolarHBondContact O-N 2.79Å; K249-S251 VanDerWaalsContact C-N 3.33Å
250Q88.3Confident92.3Very high82 Ų8260.3 Ų60.338%0.38329%0.287SS..THydrogen-bonded Turntrans-94.611.5-178.7-71.273.19.100112.2C248 D252 I253 M254C248-Q250 PolarHBondContact O-N 2.97Å; C248-Q250 PolarHBondContact SG-N 3.24Å; C248-Q250 VanDerWaalsContact SG-N 3.44Å; Q250-D252 PolarHBondContact O-N 3.42Å; Q250-I253 HydrophobicContact CG-CD1 4.35Å; Q250-I253 PolarHBondContact O-N 2.73Å; Q250-I253 VanDerWaalsContact O-N 3.16Å; Q250-M254 VanDerWaalsContact O-CG 3.32Å; Q250-M254 WeakPolarHBondContact O-CG 3.27Å; Q250-M254 PolarHBondContact O-N 2.65Å
251S87.4Confident92.4Very high16 Ų1653.2 Ų53.211%0.11226%0.256CS..THydrogen-bonded Turntrans-52.4-40.6177.753.50000113C248 K249 M254 M255 R256C248-S251 WeakPolarHBondContact O-CB 3.4Å; C248-S251 PolarHBondContact O-N 2.89Å; C248-S251 PolarHBondContact O-OG 3.36Å; K249-S251 VanDerWaalsContact C-N 3.33Å; S251-M254 CarbonylContact O-C 3.54Å; S251-M254 PolarHBondContact O-N 3.09Å; S251-M255 PolarHBondContact O-N 3.3Å; S251-R256 VanDerWaalsContact CB-O 3.28Å; S251-R256 WeakPolarHBondContact CB-O 3.39Å; S251-R256 PolarHBondContact O-N 2.95Å
252D83.1Confident92.6Very high85 Ų8549.9 Ų49.946%0.45524%0.241SC..THydrogen-bonded Turntrans-67.2-45177.8-63.4-23.9000112.3K24 Q250 M254 M255K24-D252 VanDerWaalsContact CD-OD1 3.32Å; K24-D252 WeakPolarHBondContact CD-OD1 3.48Å; K24-D252 WeakPolarHBondContact CE-OD1 3.3Å; K24-D252 IonicContact NZ-OD1 3.15Å; K24-D252 PolarHBondContact NZ-OD1 2.87Å; Q250-D252 PolarHBondContact O-N 3.42Å; D252-M254 PolarHBondContact O-N 3.27Å; D252-M255 PolarHBondContact O-N 3.09Å; D252-M255 VanDerWaalsContact O-N 3.1Å
253I85.6Confident92.6Very high142 Ų14251.5 Ų51.573%0.72825%0.251SS*.THydrogen-bonded Turntrans-63.9-34.8178.2-61.2173.4000110.6Q250 M255Q250-I253 HydrophobicContact CG-CD1 4.35Å; Q250-I253 PolarHBondContact O-N 2.73Å; Q250-I253 VanDerWaalsContact O-N 3.16Å; I253-M255 VanDerWaalsContact C-N 3.3Å
254M86.6Confident92.7Very high39 Ų3946.3 Ų46.319%0.19223%0.227CC..THydrogen-bonded Turntrans-86.2-1.5179.2-60.7-177.394.700113.3Q203 W210 Q250 S251 D252 R256 L259 Y270Q203-M254 VanDerWaalsContact CD-CE 3.48Å; Q203-M254 VanDerWaalsContact OE1-CE 3.26Å; W210-M254 HydrophobicContact CH2-CE 3.81Å; W210-M254 HydrophobicContact CH2-SD 4.37Å; W210-M254 HydrophobicContact CZ2-CB 4.44Å; W210-M254 HydrophobicContact CZ2-CE 3.42Å; W210-M254 VanDerWaalsContact CZ2-CE 3.42Å; W210-M254 HydrophobicContact CZ2-SD 4.27Å; Q250-M254 VanDerWaalsContact O-CG 3.32Å; Q250-M254 WeakPolarHBondContact O-CG 3.27Å; Q250-M254 PolarHBondContact O-N 2.65Å; S251-M254 CarbonylContact O-C 3.54Å; S251-M254 PolarHBondContact O-N 3.09Å; D252-M254 PolarHBondContact O-N 3.27Å; M254-R256 WeakPolarHBondContact O-CG 3.49Å; M254-R256 PolarHBondContact O-N 2.69Å; M254-L259 HydrophobicContact CB-CD2 4.37Å; M254-L259 HydrophobicContact SD-CD2 3.7Å; M254-Y270 HydrophobicContact CE-CD2 4.12Å; M254-Y270 HydrophobicContact CE-CG 4.07Å; M254-Y270 HydrophobicContact SD-CD1 4.11Å; M254-Y270 HydrophobicContact SD-CE1 4.45Å; M254-Y270 HydrophobicContact SD-CG 4.2Å
255M89.3Confident92.6Very high47 Ų4746.3 Ų46.323%0.23224%0.235CC..THydrogen-bonded Turntrans50.738.7-176.9-53.7-62.9-168.500112.7F25 R27 S251 D252 I253F25-M255 HydrophobicContact CB-CE 4.1Å; F25-M255 HydrophobicContact CB-SD 3.69Å; R27-M255 HydrophobicContact CB-CB 4.04Å; R27-M255 WeakPolarHBondContact CB-O 3.42Å; R27-M255 PolarHBondContact N-O 2.79Å; S251-M255 PolarHBondContact O-N 3.3Å; D252-M255 PolarHBondContact O-N 3.09Å; D252-M255 VanDerWaalsContact O-N 3.1Å; I253-M255 VanDerWaalsContact C-N 3.3Å
256R90.6Very high92.3Very high4 Ų450.1 Ų50.12%0.01526%0.263CS..  trans-130.8128.9-179.2-69.3-140.1177.6-145.1-1.4111.2D44 W210 S251 M254D44-R256 IonicContact OD2-CZ 3.6Å; D44-R256 IonicContact OD2-NH1 3.24Å; D44-R256 PolarHBondContact OD2-NH1 3.03Å; D44-R256 IonicContact OD2-NH2 2.93Å; D44-R256 PolarHBondContact OD2-NH2 2.82Å; W210-R256 HydrophobicContact CZ2-CG 4.23Å; S251-R256 VanDerWaalsContact CB-O 3.28Å; S251-R256 WeakPolarHBondContact CB-O 3.39Å; S251-R256 PolarHBondContact O-N 2.95Å; M254-R256 WeakPolarHBondContact O-CG 3.49Å; M254-R256 PolarHBondContact O-N 2.69Å
257D91.4Very high92.2Very high30 Ų3050.2 Ų50.216%0.1626%0.261CS..SBendtrans-81.7166.417254.7-22.6000111.9L26 R28 L259 Q272L26-D257 HydrophobicContact CD1-CB 4.21Å; L26-D257 HydrophobicContact CD2-CB 3.98Å; R28-D257 IonicContact CZ-OD1 2.76Å; R28-D257 IonicContact CZ-OD2 2.76Å; R28-D257 IonicContact NH1-OD1 3.09Å; R28-D257 PolarHBondContact NH1-OD1 3.37Å; R28-D257 IonicContact NH1-OD2 3.79Å; R28-D257 VanDerWaalsContact NH2-CG 3.32Å; R28-D257 IonicContact NH2-OD1 3.56Å; R28-D257 PolarHBondContact NH2-OD1 3.12Å; R28-D257 IonicContact NH2-OD2 3.61Å; R28-D257 PolarHBondContact NH2-OD2 3.25Å; D257-L259 PolarHBondContact O-N 3.34Å; D257-L259 VanDerWaalsContact O-N 3.08Å; D257-Q272 VanDerWaalsContact O-CG 3.32Å; D257-Q272 WeakPolarHBondContact O-CG 3.23Å; D257-Q272 PolarHBondContact O-NE2 3.07Å; D257-Q272 PolarHBondContact OD1-NE2 3.17Å
258N93.4Very high92.1Very high29 Ų2947 Ų4716%0.15525%0.249CC..SBendtrans51.535.6176.7-49.7-34.7000113Q272 A273 P276 M279N258-Q272 WeakPolarHBondContact O-CA 3.3Å; N258-A273 HydrophobicContact CB-CB 4.47Å; N258-A273 VanDerWaalsContact CB-O 3.31Å; N258-A273 WeakPolarHBondContact CB-O 3.49Å; N258-A273 PolarHBondContact O-N 2.86Å; N258-P276 WeakPolarHBondContact OD1-CA 3.35Å; N258-P276 WeakPolarHBondContact OD1-CD 3.44Å; N258-M279 HydrophobicContact CB-CB 4.39Å
259L95.9Very high92.2Very high2 Ų247.2 Ų47.21%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-97.2124.1-172.3-17272.1000110.8W210 C248 M254 D257 V271 Q272 M279W210-L259 HydrophobicContact CH2-CD1 3.47Å; W210-L259 VanDerWaalsContact CH2-CD1 3.47Å; W210-L259 HydrophobicContact CH2-CD2 4.27Å; W210-L259 HydrophobicContact CZ3-CD1 3.66Å; C248-L259 HydrophobicContact CB-CB 4.11Å; C248-L259 HydrophobicContact CB-CD2 3.72Å; C248-L259 HydrophobicContact CB-CG 3.68Å; C248-L259 VanDerWaalsContact CB-O 3.27Å; C248-L259 WeakPolarHBondContact CB-O 3.27Å; C248-L259 PolarHBondContact N-O 2.89Å; M254-L259 HydrophobicContact CB-CD2 4.37Å; M254-L259 HydrophobicContact SD-CD2 3.7Å; D257-L259 PolarHBondContact O-N 3.34Å; D257-L259 VanDerWaalsContact O-N 3.08Å; L259-V271 WeakPolarHBondContact CD1-O 3.42Å; L259-Q272 HydrophobicContact CD1-CB 4Å; L259-M279 PolarHBondContact N-SD 2.99Å
260F97.5Very high92.5Very high2 Ų241.9 Ų41.91%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-121160.1171.770.8-83.6000111V245 Q246 I262 V271 A273 M279 W282 I283 I286V245-F260 HydrophobicContact CG2-CD2 4.25Å; Q246-F260 CarbonylContact O-C 3.56Å; Q246-F260 VanDerWaalsContact O-CA 3.32Å; Q246-F260 WeakPolarHBondContact O-CA 3.48Å; Q246-F260 WeakPolarHBondContact O-CB 3.26Å; F260-I262 HydrophobicContact CD2-CG1 4.2Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.89Å; F260-V271 HydrophobicContact CD1-CB 4.14Å; F260-V271 HydrophobicContact CD1-CG1 4.41Å; F260-V271 WeakPolarHBondContact CD1-O 3.29Å; F260-V271 HydrophobicContact CD2-CB 4.39Å; F260-V271 HydrophobicContact CE1-CB 3.65Å; F260-V271 HydrophobicContact CE1-CG1 3.52Å; F260-V271 HydrophobicContact CE2-CB 3.93Å; F260-V271 HydrophobicContact CE2-CG1 4.32Å; F260-V271 HydrophobicContact CE2-CG2 4.37Å; F260-V271 HydrophobicContact CG-CB 4.5Å; F260-V271 HydrophobicContact CZ-CB 3.55Å; F260-V271 HydrophobicContact CZ-CG1 3.47Å; F260-V271 VanDerWaalsContact CZ-CG1 3.47Å; F260-V271 HydrophobicContact CZ-CG2 4.29Å; F260-V271 PolarHBondContact N-O 3.24Å; F260-V271 PolarHBondContact O-N 2.85Å; F260-A273 HydrophobicContact CE1-CB 4.45Å; F260-M279 HydrophobicContact CB-CG 3.99Å; F260-M279 HydrophobicContact CB-SD 4.46Å; F260-M279 HydrophobicContact CD1-CG 3.93Å; F260-M279 HydrophobicContact CG-CG 4.36Å; F260-W282 HydrophobicContact CE1-CB 4.12Å; F260-W282 HydrophobicContact CE1-CG 4.41Å; F260-W282 HydrophobicContact CE2-CB 4.39Å; F260-W282 HydrophobicContact CZ-CB 3.86Å; F260-W282 HydrophobicContact CZ-CG 4.17Å; F260-I283 HydrophobicContact CB-CD1 3.77Å; F260-I283 HydrophobicContact CB-CG1 3.86Å; F260-I283 HydrophobicContact CD2-CG1 4.27Å; F260-I283 HydrophobicContact CG-CG1 4.16Å; F260-I286 HydrophobicContact CE2-CD1 4.16Å
261E97.3Very high92.9Very high17 Ų1738 Ų388%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-121.3138.7178.462.9178.6-16700111.8V245 Q246 V263 T268 F269 Y270V245-E261 WeakPolarHBondContact CA-O 3.3Å; V245-E261 WeakPolarHBondContact CG2-O 3.37Å; Q246-E261 HydrophobicContact CG-CG 3.81Å; Q246-E261 PolarHBondContact N-O 3.16Å; Q246-E261 VanDerWaalsContact N-O 3.14Å; Q246-E261 PolarHBondContact NE2-OE1 3.43Å; Q246-E261 PolarHBondContact O-N 3.24Å; E261-V263 HydrophobicContact CG-CG2 4.38Å; E261-T268 HydrophobicContact CB-CG2 3.79Å; E261-F269 CarbonylContact C-O 3.56Å; E261-F269 VanDerWaalsContact CA-O 3.27Å; E261-F269 WeakPolarHBondContact CA-O 3.38Å; E261-Y270 HydrophobicContact CB-CD1 3.97Å; E261-Y270 HydrophobicContact CB-CE1 3.99Å; E261-Y270 VanDerWaalsContact OE2-CE1 3.32Å; E261-Y270 WeakPolarHBondContact OE2-CE1 3.4Å
262I97.4Very high93.2Very high1 Ų137.3 Ų37.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-109.5106.4171.3-45173.2000106.6I222 V242 V245 F260 T264 T268 F269 V271 I286I222-I262 HydrophobicContact CD1-CD1 4.25Å; I222-I262 HydrophobicContact CD1-CG2 4.49Å; V242-I262 HydrophobicContact CG1-CG2 3.75Å; V242-I262 HydrophobicContact CG2-CG2 4.01Å; V245-I262 HydrophobicContact CG2-CB 4.32Å; V245-I262 HydrophobicContact CG2-CG1 3.83Å; V245-I262 HydrophobicContact CG2-CG2 4.41Å; F260-I262 HydrophobicContact CD2-CG1 4.2Å; F260-I262 HydrophobicContact CE2-CD1 4.07Å; F260-I262 HydrophobicContact CE2-CG1 3.89Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; I262-T268 CarbonylContact O-C 3.59Å; I262-T268 WeakPolarHBondContact O-CA 3.47Å; I262-F269 HydrophobicContact CB-CB 4.19Å; I262-F269 PolarHBondContact N-O 2.95Å; I262-F269 PolarHBondContact O-N 3.03Å; I262-V271 HydrophobicContact CD1-CG2 4.32Å; I262-I286 HydrophobicContact CD1-CD1 4.21Å
263V96.6Very high93.7Very high36 Ų3633.2 Ų33.222%0.21818%0.181CC..EExtended strand (participates in β ladder)trans-89.7112.3180-174.70000108.3H243 K244 E261 T268H243-V263 PolarHBondContact N-O 3.05Å; K244-V263 HydrophobicContact CB-CB 3.98Å; K244-V263 HydrophobicContact CB-CG2 4.13Å; K244-V263 PolarHBondContact N-O 2.75Å; K244-V263 PolarHBondContact O-N 2.91Å; E261-V263 HydrophobicContact CG-CG2 4.38Å; V263-T268 HydrophobicContact CG2-CG2 4.11Å
264T96.1Very high93.9Very high8 Ų829.5 Ų29.55%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-106.3171.9172.779.30000111.4I237 E241 V242 I262 S266 R267 F269I237-T264 HydrophobicContact CG2-CG2 3.69Å; E241-T264 CarbonylContact O-C 3.56Å; E241-T264 WeakPolarHBondContact O-CA 3.42Å; E241-T264 WeakPolarHBondContact O-CB 3.43Å; V242-T264 HydrophobicContact CG2-CG2 4.28Å; I262-T264 HydrophobicContact CG2-CG2 4.35Å; T264-S266 PolarHBondContact O-N 3.41Å; T264-S266 PolarHBondContact OG1-N 2.85Å; T264-R267 PolarHBondContact N-O 3.06Å; T264-R267 PolarHBondContact OG1-N 3.27Å; T264-R267 PolarHBondContact OG1-O 2.9Å; T264-F269 HydrophobicContact CG2-CD2 4.01Å; T264-F269 HydrophobicContact CG2-CE2 3.78Å
265T93.6Very high94.1Very high99 Ų9929.3 Ų29.361%0.60717%0.165SC*.SBendtrans-55.8-36.4176.8-45.40000113E241 H243E241-T265 PolarHBondContact O-N 2.88Å; E241-T265 VanDerWaalsContact O-N 3.13Å; E241-T265 PolarHBondContact O-OG1 2.84Å; H243-T265 PolarHBondContact CD2-N 2.91Å; H243-T265 PolarHBondContact CE1-OG1 3.3Å; H243-T265 WeakPolarHBondContact NE2-CA 3.4Å; H243-T265 PolarHBondContact NE2-OG1 3.35Å
266S90.8Very high94.4Very high97 Ų9729.6 Ų29.668%0.67817%0.17SC*.SBendtrans-100.8-23.9-174.1570000113.8T264T264-S266 PolarHBondContact O-N 3.41Å; T264-S266 PolarHBondContact OG1-N 2.85Å
267R93.6Very high94.6Very high45 Ų4535.7 Ų35.717%0.1720%0.199CC..  trans-164.9148-172.2176.7171.5176.2-154.6-2.3113.3Q203 G204 A205 T264 F269Q203-R267 PolarHBondContact O-NH2 3.17Å; G204-R267 VanDerWaalsContact C-NH2 3.35Å; G204-R267 PolarHBondContact O-NH2 3.39Å; A205-R267 VanDerWaalsContact CA-CZ 3.42Å; A205-R267 VanDerWaalsContact CA-NH1 3.28Å; T264-R267 PolarHBondContact N-O 3.06Å; T264-R267 PolarHBondContact OG1-N 3.27Å; T264-R267 PolarHBondContact OG1-O 2.9Å; R267-F269 HydrophobicContact CB-CE2 4.42Å
268T95.3Very high94.8Very high41 Ų4136.1 Ų36.125%0.25220%0.201SC..EExtended strand (participates in β ladder)trans-88.3128.5162.4-52.70000111.9E261 I262 V263 Y270E261-T268 HydrophobicContact CB-CG2 3.79Å; I262-T268 CarbonylContact O-C 3.59Å; I262-T268 WeakPolarHBondContact O-CA 3.47Å; V263-T268 HydrophobicContact CG2-CG2 4.11Å; T268-Y270 HydrophobicContact CG2-CE1 4.06Å; T268-Y270 HydrophobicContact CG2-CE2 4.11Å
269F96.3Very high94.9Very high5 Ų534.9 Ų34.92%0.02219%0.194CC..EExtended strand (participates in β ladder)trans-100.2117.7172-61.9-97.7000109.8Y224 I237 E261 I262 T264 R267 V271Y224-F269 HydrophobicContact CE1-CE1 4.21Å; I237-F269 HydrophobicContact CD1-CD1 4.13Å; I237-F269 HydrophobicContact CD1-CD2 3.89Å; I237-F269 HydrophobicContact CD1-CE1 3.84Å; I237-F269 HydrophobicContact CD1-CE2 3.59Å; I237-F269 HydrophobicContact CD1-CG 4.15Å; I237-F269 HydrophobicContact CD1-CZ 3.55Å; I237-F269 HydrophobicContact CG1-CE2 4.15Å; I237-F269 HydrophobicContact CG1-CZ 3.97Å; E261-F269 CarbonylContact C-O 3.56Å; E261-F269 VanDerWaalsContact CA-O 3.27Å; E261-F269 WeakPolarHBondContact CA-O 3.38Å; I262-F269 HydrophobicContact CB-CB 4.19Å; I262-F269 PolarHBondContact N-O 2.95Å; I262-F269 PolarHBondContact O-N 3.03Å; T264-F269 HydrophobicContact CG2-CD2 4.01Å; T264-F269 HydrophobicContact CG2-CE2 3.78Å; R267-F269 HydrophobicContact CB-CE2 4.42Å; F269-V271 HydrophobicContact CB-CG2 4.4Å
270Y96.4Very high95Very high53 Ų5339.5 Ų39.521%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-89.8125.2170-61.4-75.9000109.8K202 Q203 C248 M254 E261 T268K202-Y270 WeakPolarHBondContact CA-O 3.48Å; Q203-Y270 PolarHBondContact N-O 2.84Å; C248-Y270 VanDerWaalsContact SG-CE1 3.57Å; M254-Y270 HydrophobicContact CE-CD2 4.12Å; M254-Y270 HydrophobicContact CE-CG 4.07Å; M254-Y270 HydrophobicContact SD-CD1 4.11Å; M254-Y270 HydrophobicContact SD-CE1 4.45Å; M254-Y270 HydrophobicContact SD-CG 4.2Å; E261-Y270 HydrophobicContact CB-CD1 3.97Å; E261-Y270 HydrophobicContact CB-CE1 3.99Å; E261-Y270 VanDerWaalsContact OE2-CE1 3.32Å; E261-Y270 WeakPolarHBondContact OE2-CE1 3.4Å; T268-Y270 HydrophobicContact CG2-CE1 4.06Å; T268-Y270 HydrophobicContact CG2-CE2 4.11Å
271V96.3Very high95.1Very high0 Ų041.8 Ų41.80%023%0.232CC..EExtended strand (participates in β ladder)trans-134.4122.4-174-173.50000109C200 V201 K202 F215 L259 F260 I262 F269C200-V271 HydrophobicContact CB-CG1 3.36Å; V201-V271 CarbonylContact O-C 3.54Å; V201-V271 WeakPolarHBondContact O-CA 3.38Å; K202-V271 HydrophobicContact CB-CG2 4.26Å; F215-V271 HydrophobicContact CE1-CG2 4.29Å; F215-V271 HydrophobicContact CE2-CG1 4.19Å; F215-V271 HydrophobicContact CZ-CG1 4.1Å; F215-V271 HydrophobicContact CZ-CG2 3.98Å; L259-V271 WeakPolarHBondContact CD1-O 3.42Å; F260-V271 HydrophobicContact CD1-CB 4.14Å; F260-V271 HydrophobicContact CD1-CG1 4.41Å; F260-V271 WeakPolarHBondContact CD1-O 3.29Å; F260-V271 HydrophobicContact CD2-CB 4.39Å; F260-V271 HydrophobicContact CE1-CB 3.65Å; F260-V271 HydrophobicContact CE1-CG1 3.52Å; F260-V271 HydrophobicContact CE2-CB 3.93Å; F260-V271 HydrophobicContact CE2-CG1 4.32Å; F260-V271 HydrophobicContact CE2-CG2 4.37Å; F260-V271 HydrophobicContact CG-CB 4.5Å; F260-V271 HydrophobicContact CZ-CB 3.55Å; F260-V271 HydrophobicContact CZ-CG1 3.47Å; F260-V271 VanDerWaalsContact CZ-CG1 3.47Å; F260-V271 HydrophobicContact CZ-CG2 4.29Å; F260-V271 PolarHBondContact N-O 3.24Å; F260-V271 PolarHBondContact O-N 2.85Å; I262-V271 HydrophobicContact CD1-CG2 4.32Å; F269-V271 HydrophobicContact CB-CG2 4.4Å
272Q94.6Very high95.1Very high1 Ų141.1 Ų41.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-96.6125.8173.7169.5174.664.600109.2M43 C200 V201 D257 N258 L259M43-Q272 HydrophobicContact CE-CG 3.98Å; C200-Q272 WeakPolarHBondContact CB-O 3.18Å; V201-Q272 HydrophobicContact CB-CB 4.33Å; V201-Q272 PolarHBondContact N-O 2.79Å; V201-Q272 PolarHBondContact O-N 3.4Å; D257-Q272 VanDerWaalsContact O-CG 3.32Å; D257-Q272 WeakPolarHBondContact O-CG 3.23Å; D257-Q272 PolarHBondContact O-NE2 3.07Å; D257-Q272 PolarHBondContact OD1-NE2 3.17Å; N258-Q272 WeakPolarHBondContact O-CA 3.3Å; L259-Q272 HydrophobicContact CD1-CB 4Å
273A94.4Very high95.1Very high0 Ų042.4 Ų42.40%024%0.235CC..  trans-89.5164.7171.300000111.2M43 N258 F260 S275 D278 M279M43-A273 WeakPolarHBondContact CE-O 3.34Å; N258-A273 HydrophobicContact CB-CB 4.47Å; N258-A273 VanDerWaalsContact CB-O 3.31Å; N258-A273 WeakPolarHBondContact CB-O 3.49Å; N258-A273 PolarHBondContact O-N 2.86Å; F260-A273 HydrophobicContact CE1-CB 4.45Å; A273-S275 VanDerWaalsContact C-N 3.33Å; A273-D278 HydrophobicContact CB-CB 4.21Å; A273-M279 HydrophobicContact CB-CB 3.89Å
274D89.4Confident95.2Very high64 Ų6448.5 Ų48.534%0.34226%0.259SS..SBendtrans-74.8-24.9-177.6-67.2-22.6000112.5R212R212-D274 IonicContact CZ-OD1 3.51Å; R212-D274 IonicContact CZ-OD2 3.66Å; R212-D274 IonicContact NH1-OD1 3.91Å; R212-D274 PolarHBondContact NH1-OD1 2.85Å; R212-D274 IonicContact NH1-OD2 3.65Å; R212-D274 IonicContact NH2-OD1 3.32Å; R212-D274 PolarHBondContact NH2-OD1 3.18Å; R212-D274 IonicContact NH2-OD2 2.72Å; R212-D274 PolarHBondContact NH2-OD2 3.13Å
275S91.1Very high95.2Very high35 Ų3549 Ų4925%0.24526%0.264CS..SBendtrans-144160.5179.195.70000111.7A273 E277 D278 M279A273-S275 VanDerWaalsContact C-N 3.33Å; S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 VanDerWaalsContact CB-OE2 3.25Å; S275-E277 WeakPolarHBondContact CB-OE2 3.46Å; S275-E277 PolarHBondContact O-N 3.15Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-OE2 3.43Å; S275-D278 PolarHBondContact O-N 3.01Å; S275-D278 PolarHBondContact OG-N 2.81Å; S275-D278 VanDerWaalsContact OG-N 3.09Å; S275-M279 PolarHBondContact O-N 3.41Å
276P93.8Very high95.4Very high52 Ų5244.4 Ų44.434%0.33824%0.235SC..Hα-helixtrans-63.7-34.1175.424.4-31.8000111.6N258 M279 H280N258-P276 WeakPolarHBondContact OD1-CA 3.35Å; N258-P276 WeakPolarHBondContact OD1-CD 3.44Å; P276-M279 PolarHBondContact O-N 2.94Å; P276-H280 PolarHBondContact O-N 2.96Å; P276-H280 PolarHBondContact O-ND1 2.82Å
277E95.4Very high95.7Very high133 Ų13341.9 Ų41.962%0.62122%0.218SC*.Hα-helixtrans-63.6-43.3174.7-56.772.7-156.200111S275 H280 S281S275-E277 VanDerWaalsContact C-N 3.26Å; S275-E277 VanDerWaalsContact CB-OE2 3.25Å; S275-E277 WeakPolarHBondContact CB-OE2 3.46Å; S275-E277 PolarHBondContact O-N 3.15Å; S275-E277 PolarHBondContact OG-N 2.98Å; S275-E277 PolarHBondContact OG-OE2 3.43Å; E277-H280 PolarHBondContact O-N 2.85Å; E277-S281 WeakPolarHBondContact O-CB 3.48Å; E277-S281 PolarHBondContact O-N 3.1Å
278D95.3Very high95.8Very high38 Ų3841.7 Ų41.720%0.20323%0.23CC..Hα-helixtrans-67.8-40178.3-166.146.4000111.5K196 A273 S275 H280 S281 W282K196-D278 WeakPolarHBondContact CE-OD1 3.31Å; K196-D278 IonicContact NZ-OD1 3.78Å; K196-D278 PolarHBondContact NZ-OD1 3.15Å; A273-D278 HydrophobicContact CB-CB 4.21Å; S275-D278 PolarHBondContact O-N 3.01Å; S275-D278 PolarHBondContact OG-N 2.81Å; S275-D278 VanDerWaalsContact OG-N 3.09Å; D278-H280 PolarHBondContact O-N 3.42Å; D278-S281 WeakPolarHBondContact O-CB 3.28Å; D278-S281 PolarHBondContact O-N 2.97Å; D278-W282 PolarHBondContact O-N 3.36Å; D278-W282 PolarHBondContact OD2-NE1 2.86Å; D278-W282 VanDerWaalsContact OD2-NE1 3.12Å
279M97.1Very high95.7Very high4 Ų440 Ų402%0.0222%0.22CC..Hα-helixtrans-55-53.4172.6-179.5-173.870.900111.5E247 N258 L259 F260 A273 S275 P276 S281 W282 I283E247-M279 HydrophobicContact CG-CE 4.01Å; E247-M279 HydrophobicContact CG-SD 4.15Å; N258-M279 HydrophobicContact CB-CB 4.39Å; L259-M279 PolarHBondContact N-SD 2.99Å; F260-M279 HydrophobicContact CB-CG 3.99Å; F260-M279 HydrophobicContact CB-SD 4.46Å; F260-M279 HydrophobicContact CD1-CG 3.93Å; F260-M279 HydrophobicContact CG-CG 4.36Å; A273-M279 HydrophobicContact CB-CB 3.89Å; S275-M279 PolarHBondContact O-N 3.41Å; P276-M279 PolarHBondContact O-N 2.94Å; M279-S281 VanDerWaalsContact C-N 3.31Å; M279-S281 PolarHBondContact O-N 3.44Å; M279-W282 PolarHBondContact O-N 3.35Å; M279-I283 HydrophobicContact CG-CD1 4Å; M279-I283 WeakPolarHBondContact O-CG1 3.13Å; M279-I283 PolarHBondContact O-N 3.07Å
280H97.8Very high95.6Very high99 Ų9940.8 Ų40.846%0.45822%0.224SC..Hα-helixtrans-65.3-35.8179.2-66.8112.8000111.9P276 E277 D278 I283 K284P276-H280 PolarHBondContact O-N 2.96Å; P276-H280 PolarHBondContact O-ND1 2.82Å; E277-H280 PolarHBondContact O-N 2.85Å; D278-H280 PolarHBondContact O-N 3.42Å; H280-I283 PolarHBondContact O-N 2.8Å; H280-K284 WeakPolarHBondContact O-CB 3.28Å; H280-K284 PolarHBondContact O-N 2.92Å
281S97.9Very high95.5Very high50 Ų5043 Ų4335%0.3524%0.243SC..Hα-helixtrans-60.9-45.3174-178.20000111.6K196 E277 D278 M279 K284 A285K196-S281 PolarHBondContact NZ-OG 3.26Å; E277-S281 WeakPolarHBondContact O-CB 3.48Å; E277-S281 PolarHBondContact O-N 3.1Å; D278-S281 WeakPolarHBondContact O-CB 3.28Å; D278-S281 PolarHBondContact O-N 2.97Å; M279-S281 VanDerWaalsContact C-N 3.31Å; M279-S281 PolarHBondContact O-N 3.44Å; S281-K284 PolarHBondContact O-N 2.96Å; S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 3.13Å
282W98.1Very high95.2Very high3 Ų346.7 Ų46.71%0.01127%0.273CS..Hα-helixtrans-62.3-50174.6-82.9111000112.4K196 C200 F215 L217 F260 D278 M279 K284 A285 I286K196-W282 HydrophobicContact CB-CE3 4.46Å; K196-W282 HydrophobicContact CB-CH2 4.3Å; K196-W282 HydrophobicContact CB-CZ3 4.04Å; K196-W282 HydrophobicContact CD-CD2 3.68Å; K196-W282 HydrophobicContact CD-CE3 3.74Å; K196-W282 HydrophobicContact CD-CG 4.15Å; K196-W282 HydrophobicContact CD-CH2 4.34Å; K196-W282 HydrophobicContact CD-CZ2 4.28Å; K196-W282 HydrophobicContact CD-CZ3 4.07Å; K196-W282 VanDerWaalsContact CE-CD1 3.43Å; K196-W282 VanDerWaalsContact CE-CG 3.41Å; K196-W282 VanDerWaalsContact CE-NE1 3.3Å; K196-W282 HydrophobicContact CG-CD2 4.31Å; K196-W282 HydrophobicContact CG-CE3 4.14Å; K196-W282 HydrophobicContact CG-CH2 3.9Å; K196-W282 HydrophobicContact CG-CZ2 4.06Å; K196-W282 HydrophobicContact CG-CZ3 3.93Å; C200-W282 PolarHBondContact SG-NE1 3.41Å; F215-W282 HydrophobicContact CB-CH2 3.7Å; F215-W282 HydrophobicContact CB-CZ2 4.06Å; F215-W282 HydrophobicContact CB-CZ3 4.29Å; L217-W282 HydrophobicContact CB-CZ3 4.04Å; F260-W282 HydrophobicContact CE1-CB 4.12Å; F260-W282 HydrophobicContact CE1-CG 4.41Å; F260-W282 HydrophobicContact CE2-CB 4.39Å; F260-W282 HydrophobicContact CZ-CB 3.86Å; F260-W282 HydrophobicContact CZ-CG 4.17Å; D278-W282 PolarHBondContact O-N 3.36Å; D278-W282 PolarHBondContact OD2-NE1 2.86Å; D278-W282 VanDerWaalsContact OD2-NE1 3.12Å; M279-W282 PolarHBondContact O-N 3.35Å; W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 2.9Å; W282-A285 PolarHBondContact O-N 3.05Å; W282-I286 HydrophobicContact CE3-CD1 4.41Å; W282-I286 WeakPolarHBondContact O-CB 3.33Å; W282-I286 VanDerWaalsContact O-CG1 3.28Å; W282-I286 WeakPolarHBondContact O-CG1 3.48Å; W282-I286 PolarHBondContact O-N 3.33Å
283I97.9Very high94.8Very high27 Ų2750.2 Ų50.214%0.13829%0.29CS..Hα-helixtrans-55.3-46.9176.9-70.3168.6000110.3V245 E247 F260 M279 H280 S287V245-I283 HydrophobicContact CG1-CG2 4.07Å; V245-I283 WeakPolarHBondContact CG1-O 3.45Å; E247-I283 HydrophobicContact CB-CD1 4.5Å; F260-I283 HydrophobicContact CB-CD1 3.77Å; F260-I283 HydrophobicContact CB-CG1 3.86Å; F260-I283 HydrophobicContact CD2-CG1 4.27Å; F260-I283 HydrophobicContact CG-CG1 4.16Å; M279-I283 HydrophobicContact CG-CD1 4Å; M279-I283 WeakPolarHBondContact O-CG1 3.13Å; M279-I283 PolarHBondContact O-N 3.07Å; H280-I283 PolarHBondContact O-N 2.8Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.47Å; I283-S287 PolarHBondContact O-N 2.9Å; I283-S287 PolarHBondContact O-OG 3Å
284K97.4Very high94.2Very high164 Ų16459.3 Ų59.371%0.71332%0.324SS*.Hα-helixtrans-64.9-46180-176.6179.8178.7-177.60111.9H280 S281 W282 S287 G288H280-K284 WeakPolarHBondContact O-CB 3.28Å; H280-K284 PolarHBondContact O-N 2.92Å; S281-K284 PolarHBondContact O-N 2.96Å; W282-K284 VanDerWaalsContact C-N 3.29Å; W282-K284 PolarHBondContact O-N 2.9Å; K284-S287 PolarHBondContact O-N 2.84Å; K284-G288 PolarHBondContact O-N 3.07Å
285A97.3Very high93.1Very high19 Ų1958.1 Ų58.116%0.15733%0.328CS..Hα-helixtrans-62.9-47.5-179.400000111.3I195 K196 L217 S281 W282 G288 A289I195-A285 HydrophobicContact CG2-CB 4.33Å; K196-A285 HydrophobicContact CB-CB 4.22Å; K196-A285 HydrophobicContact CD-CB 4.04Å; L217-A285 VanDerWaalsContact CD2-C 3.44Å; L217-A285 HydrophobicContact CD2-CB 3.61Å; S281-A285 VanDerWaalsContact O-CB 3.29Å; S281-A285 WeakPolarHBondContact O-CB 3.28Å; S281-A285 PolarHBondContact O-N 3.13Å; W282-A285 PolarHBondContact O-N 3.05Å; A285-G288 PolarHBondContact O-N 2.98Å; A285-A289 PolarHBondContact O-N 2.95Å
286I97.4Very high91.8Very high2 Ų263.4 Ų63.41%0.0136%0.361CS..Hα-helixtrans-63-46.6178.1-65.2165.4000110.5L217 I222 L239 V245 F260 I262 W282 G288 A289 I290L217-I286 HydrophobicContact CD1-CG1 4.22Å; L217-I286 HydrophobicContact CD2-CG1 4.02Å; I222-I286 HydrophobicContact CD1-CB 4.48Å; I222-I286 HydrophobicContact CD1-CD1 3.92Å; I222-I286 HydrophobicContact CD1-CG1 3.88Å; I222-I286 HydrophobicContact CD1-CG2 3.8Å; I222-I286 HydrophobicContact CG1-CG1 4.48Å; L239-I286 HydrophobicContact CD2-CG2 4.33Å; V245-I286 HydrophobicContact CB-CG2 4.05Å; V245-I286 HydrophobicContact CG1-CB 4.17Å; V245-I286 HydrophobicContact CG1-CG2 4.01Å; V245-I286 HydrophobicContact CG2-CB 4.37Å; V245-I286 HydrophobicContact CG2-CD1 4.06Å; V245-I286 HydrophobicContact CG2-CG2 4.02Å; F260-I286 HydrophobicContact CE2-CD1 4.16Å; I262-I286 HydrophobicContact CD1-CD1 4.21Å; W282-I286 HydrophobicContact CE3-CD1 4.41Å; W282-I286 WeakPolarHBondContact O-CB 3.33Å; W282-I286 VanDerWaalsContact O-CG1 3.28Å; W282-I286 WeakPolarHBondContact O-CG1 3.48Å; W282-I286 PolarHBondContact O-N 3.33Å; I286-G288 VanDerWaalsContact C-N 3.33Å; I286-G288 PolarHBondContact O-N 3.34Å; I286-A289 PolarHBondContact O-N 2.9Å; I286-I290 HydrophobicContact CG2-CD1 3.86Å; I286-I290 VanDerWaalsContact O-CG1 3.31Å; I286-I290 WeakPolarHBondContact O-CG1 3.18Å; I286-I290 PolarHBondContact O-N 3.39Å
287S96.4Very high89.6Confident44 Ų4463.9 Ų63.931%0.30838%0.375SS..Hα-helixtrans-60.6-43.4177.5-59.70000111.8V245 I283 K284 I290 V291V245-S287 WeakPolarHBondContact CG1-OG 3.4Å; I283-S287 VanDerWaalsContact O-CB 3.25Å; I283-S287 WeakPolarHBondContact O-CB 3.47Å; I283-S287 PolarHBondContact O-N 2.9Å; I283-S287 PolarHBondContact O-OG 3Å; K284-S287 PolarHBondContact O-N 2.84Å; S287-I290 PolarHBondContact O-N 2.84Å; S287-V291 WeakPolarHBondContact O-CG2 3.42Å; S287-V291 PolarHBondContact O-N 3.13Å
288G95.6Very high87.6Confident41 Ų4169.7 Ų69.742%0.42339%0.391SS..Hα-helixtrans-60.9-45.1177.500000112.3K284 A285 I286 V291 A292K284-G288 PolarHBondContact O-N 3.07Å; A285-G288 PolarHBondContact O-N 2.98Å; I286-G288 VanDerWaalsContact C-N 3.33Å; I286-G288 PolarHBondContact O-N 3.34Å; G288-V291 PolarHBondContact O-N 2.83Å; G288-A292 WeakPolarHBondContact O-CB 3.47Å; G288-A292 PolarHBondContact O-N 3.24Å
289A94.9Very high85.4Confident6 Ų673.9 Ų73.95%0.0542%0.423CS..Hα-helixtrans-62.7-42.7176.800000112I195 L217 L239 A285 I286 V291 A292 Q293I195-A289 HydrophobicContact CD1-CB 3.76Å; L217-A289 HydrophobicContact CD1-CB 4.19Å; L217-A289 HydrophobicContact CD2-CB 4.47Å; L239-A289 HydrophobicContact CD1-CB 3.53Å; A285-A289 PolarHBondContact O-N 2.95Å; I286-A289 PolarHBondContact O-N 2.9Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.31Å; A289-A292 PolarHBondContact O-N 2.95Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 3.36Å; A289-Q293 VanDerWaalsContact O-N 3.11Å
290I94.1Very high83Confident21 Ų2178.3 Ų78.311%0.10846%0.461CS..Hα-helixtrans-61.7-41175.4-66.8165000111.5L239 V242 I286 S287L239-I290 HydrophobicContact CB-CG1 4.21Å; L239-I290 HydrophobicContact CD2-CG1 4.09Å; V242-I290 HydrophobicContact CB-CD1 3.87Å; V242-I290 HydrophobicContact CG1-CD1 3.61Å; I286-I290 HydrophobicContact CG2-CD1 3.86Å; I286-I290 VanDerWaalsContact O-CG1 3.31Å; I286-I290 WeakPolarHBondContact O-CG1 3.18Å; I286-I290 PolarHBondContact O-N 3.39Å; S287-I290 PolarHBondContact O-N 2.84Å
291V93.3Very high80.5Confident100 Ų10078.5 Ų78.561%0.60648%0.48SS*.Hα-helixtrans-68-42.4177.5171.40000111S287 G288 A289 Q293 R294 G295S287-V291 WeakPolarHBondContact O-CG2 3.42Å; S287-V291 PolarHBondContact O-N 3.13Å; G288-V291 PolarHBondContact O-N 2.83Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.31Å; V291-Q293 VanDerWaalsContact C-N 3.27Å; V291-Q293 PolarHBondContact O-N 3.05Å; V291-R294 PolarHBondContact O-N 2.91Å; V291-G295 PolarHBondContact O-N 2.93Å
292A90.1Very high78.1Confident77 Ų7781.8 Ų81.864%0.63650%0.502SS*.Hα-helixtrans-59-37.4177.900000112.2G288 A289 R294 G295G288-A292 WeakPolarHBondContact O-CB 3.47Å; G288-A292 PolarHBondContact O-N 3.24Å; A289-A292 PolarHBondContact O-N 2.95Å; A292-R294 PolarHBondContact O-N 3.36Å; A292-G295 PolarHBondContact O-N 2.88Å
293Q86.2Confident75.7Confident76 Ų7690.1 Ų90.136%0.35554%0.542SS..Hα-helixtrans-63.6-26.4174.4-72.7-172.8-6.200114.4E219 N220 A289 V291E219-Q293 PolarHBondContact O-NE2 3.09Å; N220-Q293 VanDerWaalsContact CA-NE2 3.3Å; A289-Q293 WeakPolarHBondContact O-CG 3.18Å; A289-Q293 PolarHBondContact O-N 3.36Å; A289-Q293 VanDerWaalsContact O-N 3.11Å; V291-Q293 VanDerWaalsContact C-N 3.27Å; V291-Q293 PolarHBondContact O-N 3.05Å
294R82.4Confident73Confident190 Ų19098.1 Ų98.172%0.71758%0.578SS**Hα-helixtrans-87.4-11.8-177.8-66.1-180-177.6-175.32.4113V291 A292V291-R294 PolarHBondContact O-N 2.91Å; A292-R294 PolarHBondContact O-N 3.36Å
295G65.6Low70.1Confident40 Ų4095.6 Ų95.641%0.41258%0.581SS.*  trans66161.3-179.500000114.1V291 A292 G297V291-G295 PolarHBondContact O-N 2.93Å; A292-G295 PolarHBondContact O-N 2.88Å; G295-G297 PolarHBondContact O-N 3.38Å
296P63.2Low67.1Low146 Ų146104.1 Ų104.195%0.94862%0.618SS**SBendtrans-75.6105.8168.527.3-23.4000108.9
297G48.4Very low64.1Low61 Ų61109.2 Ų109.263%0.62965%0.653SS**  trans121.691.1161.300000116.6G295G295-G297 PolarHBondContact O-N 3.38Å
298R52.2Low61.3Low256 Ų256112 Ų11297%0.96667%0.673SS**  trans-117.854.1135.8-79-173.2158.7-141.2-2.7109.1
299S49.1Very low58.5Low125 Ų125116.3 Ų116.387%0.87470%0.697SS**  trans-119.561.6162-61.10000107.4
300A48.4Very low55.7Low97 Ų97124.8 Ų124.880%0.80274%0.735SS**  trans-154.467.5175.500000108.4
301A44.2Very low52.8Low104 Ų104128.2 Ų128.286%0.8676%0.761SS**  trans-167.564.1162.600000109.8
302S47.5Very low50.1Low118 Ų118130.1 Ų130.183%0.82577%0.767SS**SBendtrans-158.248.9153-172.70000110.1
303E47.9Very low47.5Very low179 Ų179134.8 Ų134.884%0.83678%0.776SS**  trans-136.6101.2159.5-70.8-16815000106.3
304H40.8Very low45Very low194 Ų194134.2 Ų134.290%0.89878%0.784SS**  trans167.397.3141.3-85.7-54.4000109.8
305S37.1Very low42.7Very low111 Ų111133.9 Ų133.978%0.77679%0.788SS**  -178.197.1128.448.60000108.7
306E34Very low41.2Very low199 Ų199142.2 Ų142.293%0.9381%0.807SS**  176104.7127.5-95171.9167.900110
307S35.5Very low39.8Very low108 Ų108140.1 Ų140.176%0.75580%0.796SS**  trans-90116.1166.161.30000109.6
308S37.1Very low39Very low104 Ų104142 Ų14273%0.72781%0.805SS**  trans43123.3134.155.60000120.9
309S36Very low38.2Very low131 Ų131136.2 Ų136.292%0.91680%0.799SS**  trans-154.9135.7137.6-73.50000110.9
310E35.8Very low38.7Very low184 Ų184135.9 Ų135.986%0.8679%0.794SS**  trans-81.6155.4-169-74.5169.998.100116.3
311S34.9Very low37.9Very low92 Ų92135.7 Ų135.764%0.64379%0.793SS**  trans53.7122138.970.90000122.2
312N36.4Very low37.4Very low140 Ų140135.6 Ų135.675%0.74979%0.791SS**  165.7133.297.7-96.5-38.6000114.9
313H35.8Very low36.8Very low175 Ų175134.3 Ų134.381%0.8179%0.788SS**  trans38125142.1-89.6-85.4000125.1
314A33.8Very low36.3Very low65 Ų65130.2 Ų130.254%0.53779%0.785SS.*  70.5126.6128.500000121.2
315F33.7Very low36.1Very low183 Ų183125 Ų12580%0.80377%0.771SS**  165.7133.8100.7-91.5-72.9000112.7
316R34.4Very low36.4Very low214 Ų214128.4 Ų128.481%0.80877%0.773SS**  trans54111138.4-82.3174.9172.9-145.4-1.9119.9
317S32.4Very low36.5Very low103 Ų103124.3 Ų124.372%0.7277%0.767SS**  91.6120.375.8710000114
318A31.2Very low36.4Very low99 Ų99123.4 Ų123.482%0.81877%0.766SS**  167.4124.5121.300000112.5
319T35.2Very low36.4Very low135 Ų135123 Ų12383%0.82877%0.769SS**  trans-69.9-166.7164.315.10000112.1
320P60.1Low36.4Very low118 Ų118121 Ų12177%0.76676%0.755SS**  cis-140.8179.4-26.529.3-7.5000114.2
321A31.4Very low36.3Very low94 Ų94121 Ų12178%0.77775%0.754SS**  trans-158.4110145.100000108.7
322A34.7Very low36.2Very low101 Ų101121.8 Ų121.884%0.83576%0.76SS**  74.2131.893.900000112.5
323A35.6Very low36.1Very low91 Ų91120.4 Ų120.475%0.75276%0.761SS**  cis-160.2146.58.600000108.6
324A37.3Very low36.9Very low93 Ų93117.1 Ų117.177%0.76976%0.756SS**  55.3136.4114.200000116.6
325S36.7Very low36.7Very low86 Ų86121.3 Ų121.360%0.60177%0.768SS**  cis-176.5152.51.2-74.40000103.8
326H41.7Very low37Very low181 Ų181118.6 Ų118.684%0.83877%0.766SS**  -177.2149.271.1-84.6-77.4000111.2
327S35.8Very low37.6Very low113 Ų113114.4 Ų114.479%0.7977%0.767SS**  trans-29.6164.9161.3-41.30000117.4
328A35.4Very low37.8Very low90 Ų90116.9 Ų116.974%0.74477%0.772SS**  cis-167.7158.127.700000112.3
329A36.1Very low37.8Very low94 Ų94119 Ų11978%0.77777%0.769SS**  trans61.6138146.800000118.3
330S35.4Very low37.5Very low90 Ų90119.2 Ų119.263%0.62977%0.765SS**  cis-176.6145.327.9210000109.8
331H34.9Very low36.1Very low183 Ų183118 Ų11885%0.84776%0.759SS**  trans53.3137.3147-51.9-57.4000118.8
332S33Very low36Very low109 Ų109122.3 Ų122.376%0.76276%0.76SS**  cis-175.3138.13.438.70000106
333S34.2Very low36.1Very low111 Ų111128.4 Ų128.478%0.77676%0.763SS**  trans-59.8175.3165-46.80000111.2
334P51.1Low36.6Very low106 Ų106130.2 Ų130.269%0.68877%0.768SS**  cis-152.2-178.418.440.7-17000118.4
335L30.8Very low36.3Very low153 Ų153129.9 Ų129.980%0.80177%0.765SS**  trans81.8110149.8-71.7157000121.9
336V40.4Very low36.4Very low126 Ų126132.9 Ų132.976%0.76477%0.773SS**  trans-24150.6144.5-86.40000116.8
337P46.5Very low35.8Very low126 Ų126132.8 Ų132.882%0.81877%0.773SS**  -152.1165.275.735.7-12.7000119.6
338N36.1Very low35.9Very low156 Ų156136 Ų13683%0.83477%0.773SS**  trans-35.9141.7163.5-111.7-22.7000116.1
339L30.8Very low35.5Very low144 Ų144143.6 Ų143.675%0.75478%0.782SS**  178.4142.2118.7-135.571.3000114.1
340N30Very low35.1Very low138 Ų138142.3 Ų142.374%0.73878%0.778SS**  trans66121.6139.2-89.73.7000124.4
341S30Very low34.9Very low92 Ų92147.5 Ų147.564%0.64379%0.79SS**  78.5138.5116.9-143.50000121.7
342K30.3Very low34.8Very low186 Ų186145.8 Ų145.881%0.80978%0.782SS**  trans88.6126.5148.6-77.7163-174.6-172.50120.5
343Y36.7Very low35Very low228 Ų228147.7 Ų147.789%0.89478%0.779SS**  trans-34.5158.5149.2-64.6-92000114.1
344P44.9Very low35.5Very low130 Ų130148.6 Ų148.684%0.84478%0.782SS**  trans-132.8147132.531.8-17000113.9
345A32.4Very low34.5Very low85 Ų85151.7 Ų151.770%0.70279%0.785SS**  trans-102.7155.1164.700000109.8
346L37.5Very low34.8Very low150 Ų150151.4 Ų151.479%0.78579%0.79SS**  trans61.5125.4162.9-93.193.5000119.6
347E30.5Very low34.5Very low178 Ų178154.5 Ų154.583%0.83279%0.793SS**  -175.1167.695.7-97.8-153.2135.100114.2
348K35.9Very low33.9Very low182 Ų182153.4 Ų153.479%0.79179%0.794SS**  trans-79.5152.3-163.5-65.2158.9169.4169.80115.4
349R29Very low33.9Very low248 Ų248155.1 Ų155.194%0.93679%0.794SS**  trans172.2114.7130.8-100.4172.2178.21650.4105.8
350G27.3Very low34.2Very low67 Ų67154.5 Ų154.569%0.69180%0.799SS**  86.1117.471.500000108.3
351F31.2Very low34.1Very low199 Ų199151.4 Ų151.487%0.87380%0.8SS**  trans178.3163.6145.4-108.2-124.3000109.5
352H31.6Very low34.3Very low147 Ų147154.4 Ų154.468%0.68181%0.808SS**  trans-106.1170.3-137.749.2-106.1000116
353E38.8Very low34.5Very low150 Ų150155.9 Ų155.970%0.70181%0.81SS**  trans-49.2168.6169.1-73.4173.3115.100116.5
354P43.3Very low34.4Very low129 Ų129153.7 Ų153.784%0.83881%0.806SS**  -125.6139.312928.7-14.4000114.7
355F30.2Very low33.8Very low171 Ų171154.5 Ų154.575%0.7580%0.801SS**  trans-63.4143168.6-94.1-105.6000113.4
356T38.2Very low33.7Very low147 Ų147158.5 Ų158.590%0.90281%0.806SS**  trans-134.5153.3137.752.60000110.7
357K33.2Very low33.5Very low191 Ų191157.8 Ų157.883%0.8381%0.807SS**  trans-119.2125.8-146.6-174.2-178.5-170.1174.60108.9
358A33.3Very low33.6Very low103 Ų103155.7 Ų155.785%0.85181%0.806SS**  trans-144.113316200000110.5
359K36.7Very low33.7Very low192 Ų192150.8 Ų150.884%0.83580%0.8SS**PPolyproline II helixtrans-79.2156.7-167.1-69.6177.2174.7178.70113.3
360P36.4Very low34.5Very low131 Ų131145 Ų14585%0.85179%0.794SS**PPolyproline II helixtrans-87130.5174.233.7-29.5000111.6
361G29.6Very low34.7Very low73 Ų73153.9 Ų153.975%0.75381%0.807SS**PPolyproline II helixtrans-92.5126.7170.300000110.8
362N33.3Very low35Very low155 Ų155153.2 Ų153.283%0.82981%0.806SS**PPolyproline II helixtrans-82.3127.7-178.1-148.81.4000109.6
363Y35.7Very low36.3Very low217 Ų217151.5 Ų151.585%0.85181%0.809SS**  trans-137127158.157.4-92.6000110.1
364K32.8Very low35.8Very low182 Ų182148.6 Ų148.679%0.79181%0.81SS**  trans-111.8153.3173.5-83.1-174.3167.3-178.40109.2
365I33.3Very low35.3Very low148 Ų148147.6 Ų147.676%0.75981%0.806SS**  trans84.6128.3158.6-39-160.3000113.2
366Q29.3Very low35.4Very low169 Ų169149 Ų14979%0.7981%0.812SS**  cis-156.8143.738.8-150.3147.18.300113.7
367V33.7Very low35Very low135 Ų135148.4 Ų148.482%0.81881%0.808SS**  trans-86.5133.1163.7169.70000108.4
368V32Very low34.8Very low133 Ų133145.3 Ų145.381%0.80681%0.805SS**  trans-129.2125.1163.8178.30000108.4
369A39.4Very low34.7Very low80 Ų80148.8 Ų148.866%0.66180%0.804SS**  trans-105169.8172.500000109.6
370P44.9Very low34.3Very low127 Ų127149.1 Ų149.183%0.82581%0.808SS**  trans-85.7162.2-140.634.8-37.4000115.1
371R32.3Very low33.9Very low252 Ų252146.5 Ų146.595%0.95181%0.805SS**  trans-123.9130.5161.9-95.9-174.2170.8171.4-2.3110.5
372E37.9Very low33.9Very low185 Ų185151.1 Ų151.186%0.86481%0.812SS**  trans-103.5179.8171.5-128.1-163.2-175.500109.5
373P57.3Low33.7Very low112 Ų112148.3 Ų148.373%0.72780%0.804SS**  -115173.2-115.938.6-23.2000114.4
374A29.2Very low33.6Very low89 Ų89146.7 Ų146.774%0.73681%0.805SS**  trans159.4133.7132.900000113
375S33.1Very low34Very low108 Ų108143.7 Ų143.776%0.75580%0.804SS**  139.2107.2122-60.40000115
376K32Very low33.8Very low199 Ų199145 Ų14587%0.86581%0.806SS**  38.8126.7128.3-59.5-173.6178.6-172.80120.4
377V29.1Very low33.9Very low136 Ų136141.3 Ų141.382%0.82480%0.8SS**  -163.9104.7120.5170.30000106
378T29.7Very low33.9Very low125 Ų125143 Ų14377%0.76780%0.796SS**  85.3129.289.7-46.50000115.1
379E32.2Very low33.9Very low176 Ų176144.2 Ų144.282%0.82280%0.798SS**  trans-49.4153.6-179.2-64.2170.9105.200117.8
380Q28Very low33.4Very low199 Ų199143.6 Ų143.693%0.9380%0.799SS**  -173.1124.6122.9-96.6167.56.900104.7
381G27.3Very low32.7Very low76 Ų76144 Ų14478%0.78480%0.799SS**  cis116.5127.539.700000107
382L28.7Very low32.7Very low170 Ų170139.8 Ų139.889%0.8979%0.79SS**  trans117.9115.8152.6-137.877.2000119
383S29.9Very low32.5Very low96 Ų96138.8 Ų138.867%0.67179%0.786SS**  trans76104.5138.453.90000121.5
384E34.4Very low31.3Very low184 Ų184141.9 Ų141.986%0.8679%0.79SS**  -69156.2123.3-73.3-172.9117.900109.8
385P40Very low31.7Very low119 Ų119144.7 Ų144.777%0.77379%0.793SS**  -141.9135.199.632.1-14.9000115
386Q30.2Very low32.3Very low174 Ų174144.9 Ų144.981%0.81379%0.792SS**  43118.4122.5-88.3-168.22.800121.1
387S30.5Very low32.3Very low93 Ų93138.4 Ų138.465%0.6578%0.781SS**  112.2132.5111.4-145.10000119.9
388K34.5Very low32.6Very low171 Ų171140 Ų14074%0.74379%0.785SS**  trans110128.5136.9-57-159.6-178.4172.70120.3
389N31.2Very low33.2Very low158 Ų158141.1 Ų141.185%0.84579%0.791SS**  trans76134.3150.1-55.6-15.3000115.9
390G28.7Very low33.6Very low66 Ų66139.1 Ų139.168%0.6879%0.786SS**  cis134.4113.916.300000108.1
391T31Very low34.5Very low136 Ų136137.8 Ų137.883%0.83478%0.784SS**  trans48.5123.1147.1-32.60000119.4
392Q31.1Very low35Very low163 Ų163141.7 Ų141.776%0.76279%0.787SS**  164.9144.197.3-157.9159.623.900112.9
393E35Very low35.6Very low164 Ų164141.1 Ų141.177%0.76679%0.785SS**  trans-45.5149.9167.5-58.9171.7104.500114.8
394Q32.2Very low36.2Very low177 Ų177140 Ų14083%0.82778%0.782SS**  -177120.9116-99.5172.748.600111.7
395D37.2Very low36.6Very low148 Ų148136.8 Ų136.879%0.79178%0.779SS**  trans-67.1142.9144.8179.734.6000108.4
396P45.4Very low37.2Very low113 Ų113138.8 Ų138.873%0.73478%0.782SS**  -149.3156.1109.535.9-19.2000114.3
397G31.5Very low38.5Very low62 Ų62136.6 Ų136.664%0.63978%0.783SS**  trans152.98714300000117.2
398L36.5Very low39.4Very low171 Ų171137.9 Ų137.990%0.89579%0.787SS**  trans-56.2129.1155.9-131.5109.1000109.9
399V42.7Very low39.9Very low147 Ų147134.1 Ų134.189%0.89178%0.782SS**  trans-130.3113.6160.1-76.20000109.1
400D39.8Very low40.7Very low134 Ų134133.8 Ų133.872%0.71778%0.781SS**  trans-107.9118.9171-173.219.5000106.1
401L46.1Very low41.6Very low171 Ų171141 Ų14190%0.89581%0.811SS**  trans-158.1105.8163-79.3-174.2000109.4
402D38Very low42.1Very low158 Ų158141.2 Ų141.285%0.84581%0.809SS**  trans-48.2129144.4-77.1-48.6000109.9
403D41.4Very low42.7Very low159 Ų159140.1 Ų140.185%0.8581%0.812SS**  trans-165.4145.8131.3-158.114000111.5
404A42.7Very low43.1Very low73 Ų73138.7 Ų138.760%0.60381%0.814SS**  trans-65.6149.5-178.400000113
405S43.1Very low43.7Very low116 Ų116136.5 Ų136.581%0.81181%0.814SS**  170.8120.5120.8-76.20000111.2
406L52.2Low44.1Very low160 Ų160135.8 Ų135.884%0.83882%0.815SS**  trans-60.3158.7164.2-62.6162.9000110.6
407P58.6Low44Very low128 Ų128137.3 Ų137.383%0.83182%0.821SS**  trans-120.8135.7136.632.6-22.8000111.4
408V48.1Very low44.9Very low120 Ų120142.6 Ų142.673%0.72783%0.834SS**  trans-91.5142.9170.9-178.60000107.8
409S46.3Very low45.6Very low92 Ų92140.5 Ų140.564%0.64383%0.829SS**  trans72.7134.8148.257.80000123.6
410D47.9Very low45.8Very low152 Ų152139.9 Ų139.981%0.81382%0.824SS**  trans84104.1142.4-59.2-24.8000120.1
411V45.8Very low46.4Very low216 Ų216140.5 Ų140.5100%1.30983%0.833SS**  -163.4092.1155.60000109.9

Retrieved 411 of 411 residues in 174.5 ms (Link to these results)