G4VIN2_SCHMA Loading...

DUF3825 domain-containing protein

AlphaFold DB , UniProt , Accession G4VIN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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
1M44.2Very low57.2Low222 Ų222125.9 Ų125.9100%1.09464%0.635SS**  058.70-173.4-177.4-105.200108.2
2F50.5Low56.8Low180 Ų180126.9 Ų126.979%0.78963%0.632SS**  trans-136.2-19.2-178.7-77.2-75000112.2
3D55.4Low56.6Low141 Ų141122.1 Ų122.175%0.75462%0.618SS**Hα-helixtrans-70.3-29.2179.1-80.9-70.1000115.3K7D3-K7 PolarHBondContact O-N 3.23Å; D3-K7 VanDerWaalsContact O-N 3.14Å
4I61.9Low56.2Low125 Ų125119.3 Ų119.364%0.64162%0.623SS**Hα-helixtrans-69.5-40-178-69.1172.2000110.3K7 L8I4-K7 PolarHBondContact O-N 2.84Å; I4-L8 HydrophobicContact CG2-CD1 3.71Å; I4-L8 HydrophobicContact CG2-CG 4.28Å; I4-L8 WeakPolarHBondContact O-CB 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.46Å; I4-L8 PolarHBondContact O-N 3.17Å
5D62.2Low56.1Low96 Ų96119.7 Ų119.751%0.51363%0.625SS.*Hα-helixtrans-66.7-39.6178.9-64.7-51.5000111.6L8 L9D5-L8 PolarHBondContact O-N 2.71Å; D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 2.96Å
6A61.3Low56.1Low62 Ų62114.9 Ų114.951%0.51261%0.614SS.*Hα-helixtrans-62-46.9176.100000111.6L9 E10A6-L9 PolarHBondContact O-N 2.93Å; A6-E10 PolarHBondContact O-N 3.08Å
7K61.1Low55.8Low133 Ų133116.5 Ų116.558%0.57863%0.629SS**Hα-helixtrans-68.7-34.3179-167.5169.6-174.1173.80112.8D3 I4 Q11D3-K7 PolarHBondContact O-N 3.23Å; D3-K7 VanDerWaalsContact O-N 3.14Å; I4-K7 PolarHBondContact O-N 2.84Å; K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.39Å; K7-Q11 PolarHBondContact O-N 2.72Å
8L56.4Low56Low73 Ų73114.1 Ų114.138%0.38262%0.619SS.*Hα-helixtrans-68.9-42.6173-78.2170.7000111.3I4 D5 E10 Q11 F12I4-L8 HydrophobicContact CG2-CD1 3.71Å; I4-L8 HydrophobicContact CG2-CG 4.28Å; I4-L8 WeakPolarHBondContact O-CB 3.26Å; I4-L8 WeakPolarHBondContact O-CG 3.46Å; I4-L8 PolarHBondContact O-N 3.17Å; D5-L8 PolarHBondContact O-N 2.71Å; L8-E10 VanDerWaalsContact C-N 3.31Å; L8-E10 PolarHBondContact O-N 2.9Å; L8-Q11 CarbonylContact O-C 3.58Å; L8-Q11 PolarHBondContact O-N 3.11Å; L8-Q11 VanDerWaalsContact O-N 3.15Å; L8-F12 WeakPolarHBondContact O-CD2 3.49Å; L8-F12 PolarHBondContact O-N 3.23Å
9L58.8Low57.2Low122 Ų122112.9 Ų112.964%0.63961%0.612SS**Hα-helixtrans-59.9-41.2175.7-113.490.7000112D5 A6 F12 S13D5-L9 WeakPolarHBondContact O-CB 3.39Å; D5-L9 PolarHBondContact O-N 2.96Å; A6-L9 PolarHBondContact O-N 2.93Å; L9-F12 PolarHBondContact O-N 3.2Å; L9-S13 PolarHBondContact O-N 2.9Å
10E61.3Low58.4Low121 Ų121112 Ų11257%0.56560%0.602SS**Hα-helixtrans-62.9-40.8174.1-172.5-171.2177.200111.5A6 L8 F12 S13 A14A6-E10 PolarHBondContact O-N 3.08Å; L8-E10 VanDerWaalsContact C-N 3.31Å; L8-E10 PolarHBondContact O-N 2.9Å; E10-F12 VanDerWaalsContact C-N 3.32Å; E10-F12 PolarHBondContact O-N 2.84Å; E10-S13 PolarHBondContact O-N 3.25Å; E10-S13 PolarHBondContact O-OG 3.22Å; E10-A14 PolarHBondContact O-N 2.99Å
11Q55.9Low59.7Low110 Ų110111.2 Ų111.251%0.51460%0.598SS.*Hα-helixtrans-66.9-33.3173.3-73.3179.2-19.800112.5K7 L8 L15K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.39Å; K7-Q11 PolarHBondContact O-N 2.72Å; L8-Q11 CarbonylContact O-C 3.58Å; L8-Q11 PolarHBondContact O-N 3.11Å; L8-Q11 VanDerWaalsContact O-N 3.15Å; Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 3.13Å
12F52.9Low61.6Low138 Ų138104.9 Ų104.961%0.60557%0.565SS**Hα-helixtrans-74.3-32.7175.9-82.9-68.1000112.9L8 L9 E10 A14 L15 G16L8-F12 WeakPolarHBondContact O-CD2 3.49Å; L8-F12 PolarHBondContact O-N 3.23Å; L9-F12 PolarHBondContact O-N 3.2Å; E10-F12 VanDerWaalsContact C-N 3.32Å; E10-F12 PolarHBondContact O-N 2.84Å; F12-A14 VanDerWaalsContact C-N 3.31Å; F12-L15 HydrophobicContact CD1-CD1 4Å; F12-L15 HydrophobicContact CE1-CD1 4.34Å; F12-L15 PolarHBondContact O-N 2.95Å; F12-L15 VanDerWaalsContact O-N 3.16Å; F12-G16 PolarHBondContact O-N 2.75Å
13S54.3Low63.3Low64 Ų6497 Ų9745%0.44853%0.532SS..Hα-helixtrans-65.4-37.2173.664.40000111.2L9 E10 L15 G16L9-S13 PolarHBondContact O-N 2.9Å; E10-S13 PolarHBondContact O-N 3.25Å; E10-S13 PolarHBondContact O-OG 3.22Å; S13-L15 PolarHBondContact O-N 3.45Å; S13-G16 PolarHBondContact O-N 2.54Å; S13-G16 VanDerWaalsContact O-N 3.09Å
14A51.3Low64.8Low83 Ų8390.6 Ų90.669%0.68650%0.497SS*.THydrogen-bonded Turntrans-66.7-17.9173.900000114.2E10 F12E10-A14 PolarHBondContact O-N 2.99Å; F12-A14 VanDerWaalsContact C-N 3.31Å
15L53.9Low66Low125 Ų12588.9 Ų88.965%0.65449%0.489SS*.THydrogen-bonded Turntrans-86.3-13.6173.9-67.2174.2000113Q11 F12 S13 T17Q11-L15 WeakPolarHBondContact O-CG 3.45Å; Q11-L15 PolarHBondContact O-N 3.13Å; F12-L15 HydrophobicContact CD1-CD1 4Å; F12-L15 HydrophobicContact CE1-CD1 4.34Å; F12-L15 PolarHBondContact O-N 2.95Å; F12-L15 VanDerWaalsContact O-N 3.16Å; S13-L15 PolarHBondContact O-N 3.45Å; L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 2.74Å
16G56.6Low67Low43 Ų4387.6 Ų87.644%0.44348%0.48SS..  trans-7093.4166.900000108.6F12 S13 T18F12-G16 PolarHBondContact O-N 2.75Å; S13-G16 PolarHBondContact O-N 2.54Å; S13-G16 VanDerWaalsContact O-N 3.09Å; G16-T18 PolarHBondContact O-N 3.29Å
17T50Low68Low143 Ų14384.6 Ų84.688%0.87746%0.456SS*.  trans-7143.7172.259.80000111.2L15 D19L15-T17 VanDerWaalsContact C-N 3.34Å; L15-T17 PolarHBondContact O-N 2.74Å; T17-D19 PolarHBondContact O-N 3.08Å
18T60Low69.1Low72 Ų7279.7 Ų79.744%0.44243%0.434SS..  trans-77.8115.2172.5-45.20000106.3G16 K20 E22 L23G16-T18 PolarHBondContact O-N 3.29Å; T18-K20 PolarHBondContact O-N 3.47Å; T18-E22 HydrophobicContact CG2-CG 4.44Å; T18-L23 HydrophobicContact CG2-CD1 4.37Å; T18-L23 HydrophobicContact CG2-CD2 3.9Å; T18-L23 HydrophobicContact CG2-CG 3.79Å
19D78.1Confident70.2Confident93 Ų9379.8 Ų79.850%0.49745%0.446SS..  trans-52.2134.7176.4-174.8-84.1000110T17 D21 E22 L23T17-D19 PolarHBondContact O-N 3.08Å; D19-D21 PolarHBondContact O-N 2.67Å; D19-D21 WeakPolarHBondContact OD1-CA 3.3Å; D19-D21 WeakPolarHBondContact OD1-CB 3.35Å; D19-D21 PolarHBondContact OD1-N 2.91Å; D19-E22 HydrophobicContact CB-CB 4.01Å; D19-E22 WeakPolarHBondContact O-CB 3.46Å; D19-E22 PolarHBondContact O-N 3.25Å; D19-E22 VanDerWaalsContact O-N 3.14Å; D19-E22 PolarHBondContact OD1-N 3.3Å; D19-L23 PolarHBondContact O-N 3.23Å; D19-L23 VanDerWaalsContact O-N 3.08Å
20K82.8Confident71.1Confident94 Ų9478 Ų7841%0.40944%0.44SS..Hα-helixtrans-64.3-33.9-175.8-75.3-173.2167.4-165.80111.4T18 E22 L23 I24 W49T18-K20 PolarHBondContact O-N 3.47Å; K20-E22 VanDerWaalsContact C-N 3.35Å; K20-L23 PolarHBondContact O-N 3.5Å; K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 2.87Å; K20-W49 HydrophobicContact CB-CE3 4.01Å; K20-W49 HydrophobicContact CB-CH2 3.61Å; K20-W49 HydrophobicContact CB-CZ2 4.46Å; K20-W49 HydrophobicContact CB-CZ3 3.35Å; K20-W49 HydrophobicContact CD-CD2 4.11Å; K20-W49 HydrophobicContact CD-CE3 4.13Å; K20-W49 HydrophobicContact CD-CH2 3.55Å; K20-W49 HydrophobicContact CD-CZ2 3.52Å; K20-W49 HydrophobicContact CD-CZ3 3.87Å; K20-W49 VanDerWaalsContact CE-CE2 3.44Å; K20-W49 HydrophobicContact CG-CD2 4.03Å; K20-W49 HydrophobicContact CG-CE3 3.64Å; K20-W49 HydrophobicContact CG-CH2 3.69Å; K20-W49 HydrophobicContact CG-CZ2 4.09Å; K20-W49 HydrophobicContact CG-CZ3 3.46Å; K20-W49 VanDerWaalsContact CG-CZ3 3.46Å
21D85Confident71.9Confident96 Ų9673.6 Ų73.651%0.51342%0.421SS..Hα-helixtrans-71.5-34.2176.9-57-61.1000110.5D19 I24 N25D19-D21 PolarHBondContact O-N 2.67Å; D19-D21 WeakPolarHBondContact OD1-CA 3.3Å; D19-D21 WeakPolarHBondContact OD1-CB 3.35Å; D19-D21 PolarHBondContact OD1-N 2.91Å; D21-I24 PolarHBondContact O-N 3.16Å; D21-N25 WeakPolarHBondContact O-CB 3.05Å; D21-N25 VanDerWaalsContact O-CG 3.23Å; D21-N25 PolarHBondContact O-N 3.02Å; D21-N25 PolarHBondContact O-ND2 2.81Å; D21-N25 VanDerWaalsContact O-ND2 3.08Å
22E84.4Confident72.7Confident88 Ų8869.5 Ų69.541%0.41141%0.408SS..Hα-helixtrans-61.9-43.1170.8-177.461.3-158.400112T18 D19 K20 I24 N25 Q26T18-E22 HydrophobicContact CG2-CG 4.44Å; D19-E22 HydrophobicContact CB-CB 4.01Å; D19-E22 WeakPolarHBondContact O-CB 3.46Å; D19-E22 PolarHBondContact O-N 3.25Å; D19-E22 VanDerWaalsContact O-N 3.14Å; D19-E22 PolarHBondContact OD1-N 3.3Å; K20-E22 VanDerWaalsContact C-N 3.35Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 2.98Å; E22-N25 PolarHBondContact O-N 3.47Å; E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 VanDerWaalsContact O-CG 3.28Å; E22-Q26 WeakPolarHBondContact O-CG 3.46Å; E22-Q26 PolarHBondContact O-N 2.76Å; E22-Q26 PolarHBondContact OE1-NE2 2.84Å
23L86Confident73.3Confident16 Ų1669.4 Ų69.48%0.08441%0.414CS..Hα-helixtrans-64.3-38.9176-73.2170.7000112.4T18 D19 K20 Q26 L27 L44 W49 L51T18-L23 HydrophobicContact CG2-CD1 4.37Å; T18-L23 HydrophobicContact CG2-CD2 3.9Å; T18-L23 HydrophobicContact CG2-CG 3.79Å; D19-L23 PolarHBondContact O-N 3.23Å; D19-L23 VanDerWaalsContact O-N 3.08Å; K20-L23 PolarHBondContact O-N 3.5Å; L23-Q26 PolarHBondContact O-N 3.11Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 PolarHBondContact O-N 2.83Å; L23-L44 HydrophobicContact CB-CD1 3.87Å; L23-L44 HydrophobicContact CB-CD2 4.17Å; L23-W49 HydrophobicContact CB-CE3 4.38Å; L23-W49 HydrophobicContact CD1-CB 4.23Å; L23-W49 HydrophobicContact CD1-CE3 3.83Å; L23-W49 WeakPolarHBondContact CD1-O 3.43Å; L23-L51 HydrophobicContact CD2-CB 4.03Å
24I86.7Confident73.8Confident6 Ų673.8 Ų73.83%0.03143%0.433CS..Hα-helixtrans-61.5-47.8173.8-70.6165.8000109.8K20 D21 E22 Q26 L27 K28 D37 C40 R41 L44 W49K20-I24 WeakPolarHBondContact O-CG1 3.44Å; K20-I24 PolarHBondContact O-N 2.87Å; D21-I24 PolarHBondContact O-N 3.16Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 2.98Å; I24-Q26 VanDerWaalsContact C-N 3.34Å; I24-Q26 PolarHBondContact O-N 3.46Å; I24-L27 PolarHBondContact O-N 3.32Å; I24-K28 HydrophobicContact CG2-CD 4.35Å; I24-K28 WeakPolarHBondContact O-CG 3.33Å; I24-K28 PolarHBondContact O-N 3.13Å; I24-D37 HydrophobicContact CG2-CB 4.29Å; I24-D37 WeakPolarHBondContact CG2-OD1 3.11Å; I24-C40 HydrophobicContact CB-CB 4.41Å; I24-C40 HydrophobicContact CG1-CB 4.36Å; I24-C40 HydrophobicContact CG2-CB 3.83Å; I24-R41 HydrophobicContact CD1-CB 4.16Å; I24-R41 HydrophobicContact CD1-CG 4.48Å; I24-L44 HydrophobicContact CB-CD1 4.47Å; I24-L44 HydrophobicContact CG1-CD1 3.72Å; I24-W49 HydrophobicContact CD1-CH2 4.43Å; I24-W49 HydrophobicContact CG1-CZ3 4.43Å
25N86Confident74.9Confident88 Ų8871 Ų7147%0.47141%0.406SS..Hα-helixtrans-61.1-40.6177.3-71.6-36000112.4D21 E22 K28 A29D21-N25 WeakPolarHBondContact O-CB 3.05Å; D21-N25 VanDerWaalsContact O-CG 3.23Å; D21-N25 PolarHBondContact O-N 3.02Å; D21-N25 PolarHBondContact O-ND2 2.81Å; D21-N25 VanDerWaalsContact O-ND2 3.08Å; E22-N25 PolarHBondContact O-N 3.47Å; N25-K28 PolarHBondContact O-N 3.42Å; N25-A29 WeakPolarHBondContact O-CB 3.43Å; N25-A29 PolarHBondContact O-N 2.91Å
26Q83.8Confident76.2Confident69 Ų6967.9 Ų67.932%0.32240%0.395SS..Hα-helixtrans-67-42.5176.9-73.5177.23.800112E22 L23 I24 A29 V30 L51E22-Q26 WeakPolarHBondContact O-CB 3.35Å; E22-Q26 VanDerWaalsContact O-CG 3.28Å; E22-Q26 WeakPolarHBondContact O-CG 3.46Å; E22-Q26 PolarHBondContact O-N 2.76Å; E22-Q26 PolarHBondContact OE1-NE2 2.84Å; L23-Q26 PolarHBondContact O-N 3.11Å; I24-Q26 VanDerWaalsContact C-N 3.34Å; I24-Q26 PolarHBondContact O-N 3.46Å; Q26-A29 PolarHBondContact O-N 3.49Å; Q26-V30 WeakPolarHBondContact O-CG2 3.28Å; Q26-V30 PolarHBondContact O-N 3.33Å; Q26-V30 VanDerWaalsContact O-N 3.08Å; Q26-L51 HydrophobicContact CB-CD1 4.29Å; Q26-L51 HydrophobicContact CB-CD2 3.81Å
27L83.6Confident77.5Confident0 Ų070.1 Ų70.10%040%0.396CS..Hα-helixtrans-62.1-44.9175.5-177.361.2000110.8L23 I24 A29 V30 V31 C40 F43 L44 L51 A54 I55L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 PolarHBondContact O-N 2.83Å; I24-L27 PolarHBondContact O-N 3.32Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.2Å; L27-V30 PolarHBondContact O-N 3.09Å; L27-V31 HydrophobicContact CD1-CG2 3.81Å; L27-V31 HydrophobicContact CG-CG2 4.42Å; L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 3.12Å; L27-C40 HydrophobicContact CD2-CB 3.85Å; L27-C40 HydrophobicContact CG-CB 4.48Å; L27-F43 HydrophobicContact CD2-CB 4.26Å; L27-L44 HydrophobicContact CD2-CD1 4.34Å; L27-L44 HydrophobicContact CD2-CG 4.09Å; L27-L51 HydrophobicContact CB-CD1 3.76Å; L27-L51 HydrophobicContact CD1-CD1 4.17Å; L27-A54 HydrophobicContact CD1-CB 4.42Å; L27-A54 HydrophobicContact CD2-CB 4.31Å; L27-I55 HydrophobicContact CD1-CB 4.49Å; L27-I55 HydrophobicContact CD1-CG1 3.6Å
28K84.3Confident79.2Confident29 Ų2970 Ų7013%0.12639%0.386CS..Hα-helixtrans-58.7-42.5172.7-73.6-175.8174.5-158.70112.5I24 N25 V30 G32 L35 D37 C40I24-K28 HydrophobicContact CG2-CD 4.35Å; I24-K28 WeakPolarHBondContact O-CG 3.33Å; I24-K28 PolarHBondContact O-N 3.13Å; N25-K28 PolarHBondContact O-N 3.42Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.23Å; K28-G32 CarbonylContact O-C 3.52Å; K28-G32 VanDerWaalsContact O-CA 3.26Å; K28-G32 WeakPolarHBondContact O-CA 3.29Å; K28-G32 PolarHBondContact O-N 3.48Å; K28-G32 VanDerWaalsContact O-O 3.11Å; K28-L35 WeakPolarHBondContact CE-O 3.45Å; K28-L35 PolarHBondContact NZ-O 3.22Å; K28-L35 VanDerWaalsContact NZ-O 3.08Å; K28-D37 WeakPolarHBondContact CE-OD1 3.47Å; K28-D37 IonicContact NZ-OD1 3.84Å; K28-D37 PolarHBondContact NZ-OD1 3.08Å; K28-D37 IonicContact NZ-OD2 2.8Å; K28-C40 WeakPolarHBondContact CG-SG 3.24Å
29A78.3Confident80.3Confident76 Ų7668.9 Ų68.963%0.62838%0.381SS*.Hα-helixtrans-64.3-32.5179.800000112.8N25 Q26 L27N25-A29 WeakPolarHBondContact O-CB 3.43Å; N25-A29 PolarHBondContact O-N 2.91Å; Q26-A29 PolarHBondContact O-N 3.49Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-A29 PolarHBondContact O-N 3.2Å
30V78.8Confident80.6Confident84 Ų8464.4 Ų64.451%0.50936%0.357SS..Hα-helixtrans-81-44.1178.7173.90000112Q26 L27 K28 I55Q26-V30 WeakPolarHBondContact O-CG2 3.28Å; Q26-V30 PolarHBondContact O-N 3.33Å; Q26-V30 VanDerWaalsContact O-N 3.08Å; L27-V30 PolarHBondContact O-N 3.09Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.23Å; V30-I55 HydrophobicContact CB-CD1 4.3Å; V30-I55 HydrophobicContact CG1-CD1 3.96Å; V30-I55 HydrophobicContact CG1-CG1 4.18Å; V30-I55 HydrophobicContact CG1-CG2 4.25Å; V30-I55 HydrophobicContact CG2-CD1 4.18Å
31V78.2Confident80.8Confident28 Ų2863.7 Ų63.717%0.1735%0.352CS..Hα-helixtrans-87.4-28.1-171.7173.40000112.7L27 L35 Y58L27-V31 HydrophobicContact CD1-CG2 3.81Å; L27-V31 HydrophobicContact CG-CG2 4.42Å; L27-V31 WeakPolarHBondContact O-CB 3.46Å; L27-V31 WeakPolarHBondContact O-CG2 3.24Å; L27-V31 PolarHBondContact O-N 3.12Å; V31-L35 HydrophobicContact CB-CD1 3.87Å; V31-L35 HydrophobicContact CG1-CD1 3.34Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 HydrophobicContact CG2-CD1 4.47Å; V31-Y58 HydrophobicContact CB-CD1 4.26Å; V31-Y58 HydrophobicContact CB-CE1 4.18Å; V31-Y58 HydrophobicContact CG1-CD1 3.5Å; V31-Y58 HydrophobicContact CG1-CD2 4.16Å; V31-Y58 HydrophobicContact CG1-CE1 3.03Å; V31-Y58 HydrophobicContact CG1-CE2 3.75Å; V31-Y58 HydrophobicContact CG1-CG 4.04Å; V31-Y58 WeakPolarHBondContact CG1-OH 3.38Å; V31-Y58 HydrophobicContact CG2-CD1 3.69Å; V31-Y58 HydrophobicContact CG2-CE1 4.1Å; V31-Y58 HydrophobicContact CG2-CG 4.05Å
32G72.7Confident81Confident24 Ų2464.5 Ų64.525%0.24735%0.351CS..  trans124.3141.1-172.600000111.3K28 D34 L35K28-G32 CarbonylContact O-C 3.52Å; K28-G32 VanDerWaalsContact O-CA 3.26Å; K28-G32 WeakPolarHBondContact O-CA 3.29Å; K28-G32 PolarHBondContact O-N 3.48Å; K28-G32 VanDerWaalsContact O-O 3.11Å; G32-D34 PolarHBondContact O-N 2.75Å; G32-D34 VanDerWaalsContact O-N 3.08Å; G32-L35 PolarHBondContact O-N 3.16Å
33N64.5Low81.2Confident137 Ų13760.9 Ų60.973%0.73333%0.334SS*.THydrogen-bonded Turntrans-66.9-7.2-177.3-76.753.7000114.1L35N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.47Å
34D65.8Low81.2Confident156 Ų15660.1 Ų60.183%0.83433%0.33SS*.THydrogen-bonded Turntrans-76.1-14.1-178.8-55.2-69.5000113.4G32G32-D34 PolarHBondContact O-N 2.75Å; G32-D34 VanDerWaalsContact O-N 3.08Å
35L73.2Confident81.3Confident24 Ų2464.8 Ų64.813%0.12635%0.351CS..SBendtrans-69.2133.1172.2-86.8174000111K28 V31 G32 N33 Y58K28-L35 WeakPolarHBondContact CE-O 3.45Å; K28-L35 PolarHBondContact NZ-O 3.22Å; K28-L35 VanDerWaalsContact NZ-O 3.08Å; V31-L35 HydrophobicContact CB-CD1 3.87Å; V31-L35 HydrophobicContact CG1-CD1 3.34Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 HydrophobicContact CG2-CD1 4.47Å; G32-L35 PolarHBondContact O-N 3.16Å; N33-L35 VanDerWaalsContact C-N 3.28Å; N33-L35 PolarHBondContact O-N 3.47Å; L35-Y58 HydrophobicContact CD1-CD2 3.94Å; L35-Y58 HydrophobicContact CD1-CE2 3.67Å; L35-Y58 HydrophobicContact CD2-CE2 3.91Å; L35-Y58 HydrophobicContact CG-CE2 4.16Å
36S82.2Confident81.3Confident59 Ų5966.3 Ų66.341%0.41336%0.359SS..  trans-65.9152.2170.167.80000110.4E38 S39 C40S36-E38 PolarHBondContact O-N 3.47Å; S36-S39 PolarHBondContact O-N 3.08Å; S36-S39 PolarHBondContact OG-N 2.89Å; S36-S39 VanDerWaalsContact OG-N 3.13Å; S36-S39 PolarHBondContact OG-OG 2.77Å; S36-S39 VanDerWaalsContact OG-OG 3.09Å; S36-C40 PolarHBondContact O-N 3.23Å; S36-C40 VanDerWaalsContact O-N 3.16Å
37D83.1Confident81.1Confident90 Ų9063.5 Ų63.548%0.48135%0.348SS..Hα-helixtrans-56.5-34.8174.1-66.9-49.2000111.2I24 K28 C40 R41I24-D37 HydrophobicContact CG2-CB 4.29Å; I24-D37 WeakPolarHBondContact CG2-OD1 3.11Å; K28-D37 WeakPolarHBondContact CE-OD1 3.47Å; K28-D37 IonicContact NZ-OD1 3.84Å; K28-D37 PolarHBondContact NZ-OD1 3.08Å; K28-D37 IonicContact NZ-OD2 2.8Å; D37-C40 PolarHBondContact O-N 3.11Å; D37-R41 VanDerWaalsContact O-CB 3.24Å; D37-R41 WeakPolarHBondContact O-CB 2.99Å; D37-R41 PolarHBondContact O-N 3.14Å
38E85.1Confident81.2Confident142 Ų14268 Ų6866%0.66437%0.371SS*.Hα-helixtrans-64.8-44.6179.2-165.961.1-157.400112.5S36 R41 F42S36-E38 PolarHBondContact O-N 3.47Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 3.46Å; E38-F42 PolarHBondContact O-N 3.2Å
39S83.9Confident81.2Confident47 Ų4768.8 Ų68.833%0.32937%0.374SS..Hα-helixtrans-66.4-43.3177.5-65.40000111.5S36 R41 F42 F43S36-S39 PolarHBondContact O-N 3.08Å; S36-S39 PolarHBondContact OG-N 2.89Å; S36-S39 VanDerWaalsContact OG-N 3.13Å; S36-S39 PolarHBondContact OG-OG 2.77Å; S36-S39 VanDerWaalsContact OG-OG 3.09Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.59Å; S39-F42 WeakPolarHBondContact O-CB 3.35Å; S39-F42 PolarHBondContact O-N 2.85Å; S39-F43 WeakPolarHBondContact O-CD2 3.4Å; S39-F43 PolarHBondContact O-N 3.44Å; S39-F43 VanDerWaalsContact O-N 3.13Å
40C84.4Confident81.2Confident0 Ų068.2 Ų68.20%036%0.36CS..Hα-helixtrans-59.7-43.1174.8-73.10000111.7I24 L27 K28 S36 D37 F42 F43 L44I24-C40 HydrophobicContact CB-CB 4.41Å; I24-C40 HydrophobicContact CG1-CB 4.36Å; I24-C40 HydrophobicContact CG2-CB 3.83Å; L27-C40 HydrophobicContact CD2-CB 3.85Å; L27-C40 HydrophobicContact CG-CB 4.48Å; K28-C40 WeakPolarHBondContact CG-SG 3.24Å; S36-C40 PolarHBondContact O-N 3.23Å; S36-C40 VanDerWaalsContact O-N 3.16Å; D37-C40 PolarHBondContact O-N 3.11Å; C40-F42 VanDerWaalsContact C-N 3.34Å; C40-F42 PolarHBondContact O-N 2.87Å; C40-F43 PolarHBondContact O-N 3.04Å; C40-L44 WeakPolarHBondContact O-CB 3.21Å; C40-L44 WeakPolarHBondContact O-CG 3.27Å; C40-L44 PolarHBondContact O-N 3.12Å
41R86.7Confident81.3Confident79 Ų7965.6 Ų65.630%0.29834%0.343SS..Hα-helixtrans-60.7-43.5176.1-170.3179.6-169100.2-3.2111.7I24 D37 E38 S39 L44 E45 W49I24-R41 HydrophobicContact CD1-CB 4.16Å; I24-R41 HydrophobicContact CD1-CG 4.48Å; D37-R41 VanDerWaalsContact O-CB 3.24Å; D37-R41 WeakPolarHBondContact O-CB 2.99Å; D37-R41 PolarHBondContact O-N 3.14Å; E38-R41 WeakPolarHBondContact O-CB 3.41Å; E38-R41 PolarHBondContact O-N 3.46Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.59Å; R41-L44 PolarHBondContact O-N 2.92Å; R41-E45 HydrophobicContact CG-CG 4.36Å; R41-E45 IonicContact CZ-OE1 3.97Å; R41-E45 IonicContact NE-OE1 3.91Å; R41-E45 PolarHBondContact NE-OE1 3.28Å; R41-E45 VanDerWaalsContact NE-OE1 3.12Å; R41-E45 WeakPolarHBondContact O-CB 2.98Å; R41-E45 WeakPolarHBondContact O-CG 3.37Å; R41-E45 PolarHBondContact O-N 2.96Å; R41-W49 HydrophobicContact CG-CH2 4Å; R41-W49 HydrophobicContact CG-CZ2 4.19Å
42F90.1Very high81.5Confident113 Ų11371.1 Ų71.150%0.49637%0.367SS..Hα-helixtrans-57.8-49.6176.5172.3-97.2000112.5E38 S39 C40 L44 E45 L46E38-F42 PolarHBondContact O-N 3.2Å; S39-F42 WeakPolarHBondContact O-CB 3.35Å; S39-F42 PolarHBondContact O-N 2.85Å; C40-F42 VanDerWaalsContact C-N 3.34Å; C40-F42 PolarHBondContact O-N 2.87Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.14Å; F42-E45 PolarHBondContact O-N 2.98Å; F42-L46 WeakPolarHBondContact O-CB 3.39Å; F42-L46 PolarHBondContact O-N 3.27Å
43F87.5Confident81.7Confident11 Ų1177.6 Ų77.65%0.04838%0.384CS..Hα-helixtrans-65.5-37178.7-71.6-68.2000112.5L27 S39 C40 L46 A47 A54 A57 Y58 F61L27-F43 HydrophobicContact CD2-CB 4.26Å; S39-F43 WeakPolarHBondContact O-CD2 3.4Å; S39-F43 PolarHBondContact O-N 3.44Å; S39-F43 VanDerWaalsContact O-N 3.13Å; C40-F43 PolarHBondContact O-N 3.04Å; F43-L46 PolarHBondContact O-N 3.26Å; F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 2.8Å; F43-A54 HydrophobicContact CB-CB 4.3Å; F43-A57 HydrophobicContact CD1-CB 4.26Å; F43-Y58 HydrophobicContact CD2-CD2 4.05Å; F43-Y58 AromaticContact CE2-CD2 3.62Å; F43-Y58 HydrophobicContact CE2-CD2 3.62Å; F43-Y58 HydrophobicContact CE2-CE2 4.38Å; F43-Y58 AromaticContact CZ-CD2 3.98Å; F43-Y58 HydrophobicContact CZ-CD2 3.98Å; F43-F61 HydrophobicContact CE1-CB 3.84Å; F43-F61 HydrophobicContact CE1-CD1 4.28Å; F43-F61 HydrophobicContact CE1-CG 4.07Å; F43-F61 HydrophobicContact CZ-CB 4.13Å; F43-F61 AromaticContact CZ-CD1 3.75Å; F43-F61 HydrophobicContact CZ-CD1 3.75Å; F43-F61 HydrophobicContact CZ-CE1 4.44Å; F43-F61 HydrophobicContact CZ-CG 4.02Å
44L86.3Confident82.5Confident0 Ų071.1 Ų71.10%035%0.349CS..Hα-helixtrans-66-43.2174.1-74.9164.1000111.4L23 I24 L27 C40 R41 F42 L46 A47 D48 W49 A54L23-L44 HydrophobicContact CB-CD1 3.87Å; L23-L44 HydrophobicContact CB-CD2 4.17Å; I24-L44 HydrophobicContact CB-CD1 4.47Å; I24-L44 HydrophobicContact CG1-CD1 3.72Å; L27-L44 HydrophobicContact CD2-CD1 4.34Å; L27-L44 HydrophobicContact CD2-CG 4.09Å; C40-L44 WeakPolarHBondContact O-CB 3.21Å; C40-L44 WeakPolarHBondContact O-CG 3.27Å; C40-L44 PolarHBondContact O-N 3.12Å; R41-L44 PolarHBondContact O-N 2.92Å; F42-L44 VanDerWaalsContact C-N 3.33Å; F42-L44 PolarHBondContact O-N 3.14Å; L44-L46 PolarHBondContact O-N 2.93Å; L44-A47 CarbonylContact O-C 3.59Å; L44-A47 PolarHBondContact O-N 2.78Å; L44-D48 PolarHBondContact O-N 3.27Å; L44-D48 VanDerWaalsContact O-N 3.1Å; L44-W49 HydrophobicContact CB-CD2 4.14Å; L44-W49 HydrophobicContact CB-CE3 3.86Å; L44-W49 HydrophobicContact CB-CZ3 4.07Å; L44-W49 HydrophobicContact CD1-CE3 4.11Å; L44-W49 HydrophobicContact CD1-CZ3 3.88Å; L44-W49 HydrophobicContact CG-CE3 4.4Å; L44-W49 WeakPolarHBondContact O-CA 3.39Å; L44-W49 PolarHBondContact O-N 3.17Å; L44-A54 HydrophobicContact CD2-CB 3.8Å; L44-A54 HydrophobicContact CG-CB 4.19Å
45E87.9Confident83.2Confident104 Ų10464.8 Ų64.849%0.48632%0.315SS..Hα-helixtrans-62.9-41.1176.1-75.2179.6179.400111.9R41 F42 A47 D48 W49R41-E45 HydrophobicContact CG-CG 4.36Å; R41-E45 IonicContact CZ-OE1 3.97Å; R41-E45 IonicContact NE-OE1 3.91Å; R41-E45 PolarHBondContact NE-OE1 3.28Å; R41-E45 VanDerWaalsContact NE-OE1 3.12Å; R41-E45 WeakPolarHBondContact O-CB 2.98Å; R41-E45 WeakPolarHBondContact O-CG 3.37Å; R41-E45 PolarHBondContact O-N 2.96Å; F42-E45 PolarHBondContact O-N 2.98Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 2.81Å; E45-D48 PolarHBondContact O-N 3.22Å; E45-W49 HydrophobicContact CG-CZ2 3.84Å
46L86.1Confident83.4Confident120 Ų12065.1 Ų65.163%0.62832%0.324SS*.Hα-helixtrans-62.5-36.1174.2-171.871000112.2F42 F43 L44 D48F42-L46 WeakPolarHBondContact O-CB 3.39Å; F42-L46 PolarHBondContact O-N 3.27Å; F43-L46 PolarHBondContact O-N 3.26Å; L44-L46 PolarHBondContact O-N 2.93Å; L46-D48 VanDerWaalsContact C-N 3.33Å
47A81.3Confident83.3Confident10 Ų1063.5 Ų63.58%0.08332%0.315CS..THydrogen-bonded Turntrans-90.611-178.200000114.1F43 L44 E45 W49 N50 R53 A54F43-A47 WeakPolarHBondContact O-CB 3.33Å; F43-A47 PolarHBondContact O-N 2.8Å; L44-A47 CarbonylContact O-C 3.59Å; L44-A47 PolarHBondContact O-N 2.78Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 2.81Å; A47-W49 VanDerWaalsContact C-N 3.29Å; A47-W49 PolarHBondContact O-N 2.74Å; A47-N50 VanDerWaalsContact O-CB 3.25Å; A47-N50 WeakPolarHBondContact O-CB 3.41Å; A47-N50 PolarHBondContact O-N 3.47Å; A47-N50 VanDerWaalsContact O-N 3.13Å; A47-R53 HydrophobicContact CB-CB 3.74Å; A47-A54 HydrophobicContact CB-CB 3.82Å
48D84.6Confident83.3Confident94 Ų9461.6 Ų61.650%0.50330%0.301SS..THydrogen-bonded Turntrans54.344.4-176.2-162.438.6000113L44 E45 L46 N50L44-D48 PolarHBondContact O-N 3.27Å; L44-D48 VanDerWaalsContact O-N 3.1Å; E45-D48 PolarHBondContact O-N 3.22Å; L46-D48 VanDerWaalsContact C-N 3.33Å; D48-N50 PolarHBondContact O-N 2.85Å
49W83.9Confident83.1Confident46 Ų4660 Ų6017%0.17429%0.292CS..THydrogen-bonded Turntrans56.221.1-176.8-6682.1000114.7K20 L23 I24 R41 L44 E45 A47K20-W49 HydrophobicContact CB-CE3 4.01Å; K20-W49 HydrophobicContact CB-CH2 3.61Å; K20-W49 HydrophobicContact CB-CZ2 4.46Å; K20-W49 HydrophobicContact CB-CZ3 3.35Å; K20-W49 HydrophobicContact CD-CD2 4.11Å; K20-W49 HydrophobicContact CD-CE3 4.13Å; K20-W49 HydrophobicContact CD-CH2 3.55Å; K20-W49 HydrophobicContact CD-CZ2 3.52Å; K20-W49 HydrophobicContact CD-CZ3 3.87Å; K20-W49 VanDerWaalsContact CE-CE2 3.44Å; K20-W49 HydrophobicContact CG-CD2 4.03Å; K20-W49 HydrophobicContact CG-CE3 3.64Å; K20-W49 HydrophobicContact CG-CH2 3.69Å; K20-W49 HydrophobicContact CG-CZ2 4.09Å; K20-W49 HydrophobicContact CG-CZ3 3.46Å; K20-W49 VanDerWaalsContact CG-CZ3 3.46Å; L23-W49 HydrophobicContact CB-CE3 4.38Å; L23-W49 HydrophobicContact CD1-CB 4.23Å; L23-W49 HydrophobicContact CD1-CE3 3.83Å; L23-W49 WeakPolarHBondContact CD1-O 3.43Å; I24-W49 HydrophobicContact CD1-CH2 4.43Å; I24-W49 HydrophobicContact CG1-CZ3 4.43Å; R41-W49 HydrophobicContact CG-CH2 4Å; R41-W49 HydrophobicContact CG-CZ2 4.19Å; L44-W49 HydrophobicContact CB-CD2 4.14Å; L44-W49 HydrophobicContact CB-CE3 3.86Å; L44-W49 HydrophobicContact CB-CZ3 4.07Å; L44-W49 HydrophobicContact CD1-CE3 4.11Å; L44-W49 HydrophobicContact CD1-CZ3 3.88Å; L44-W49 HydrophobicContact CG-CE3 4.4Å; L44-W49 WeakPolarHBondContact O-CA 3.39Å; L44-W49 PolarHBondContact O-N 3.17Å; E45-W49 HydrophobicContact CG-CZ2 3.84Å; A47-W49 VanDerWaalsContact C-N 3.29Å; A47-W49 PolarHBondContact O-N 2.74Å
50N79.7Confident82.6Confident64 Ų6463 Ų6334%0.34231%0.305SS..  trans-87.4109.6171.8-172.6-61.4000110.6A47 D48 Q52 R53 A54A47-N50 VanDerWaalsContact O-CB 3.25Å; A47-N50 WeakPolarHBondContact O-CB 3.41Å; A47-N50 PolarHBondContact O-N 3.47Å; A47-N50 VanDerWaalsContact O-N 3.13Å; D48-N50 PolarHBondContact O-N 2.85Å; N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.4Å; N50-Q52 PolarHBondContact OD1-N 2.92Å; N50-R53 HydrophobicContact CB-CB 4.15Å; N50-R53 HydrophobicContact CB-CG 4.39Å; N50-R53 PolarHBondContact O-N 3.48Å; N50-R53 PolarHBondContact OD1-N 3.28Å; N50-R53 VanDerWaalsContact OD1-N 3.13Å; N50-A54 PolarHBondContact O-N 2.81Å
51L81Confident82.1Confident29 Ų2968.9 Ų68.915%0.15233%0.33CS..Hα-helixtrans-55-44.4-177.5-178.862.8000113.4L23 Q26 L27 R53 A54 I55L23-L51 HydrophobicContact CD2-CB 4.03Å; Q26-L51 HydrophobicContact CB-CD1 4.29Å; Q26-L51 HydrophobicContact CB-CD2 3.81Å; L27-L51 HydrophobicContact CB-CD1 3.76Å; L27-L51 HydrophobicContact CD1-CD1 4.17Å; L51-R53 PolarHBondContact O-N 3.5Å; L51-A54 PolarHBondContact O-N 3.18Å; L51-I55 HydrophobicContact CD1-CD1 4.11Å; L51-I55 HydrophobicContact CD1-CG1 4.28Å; L51-I55 HydrophobicContact CG-CD1 3.86Å; L51-I55 HydrophobicContact CG-CG1 4.46Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.17Å; L51-I55 PolarHBondContact O-N 2.71Å
52Q81.1Confident81.1Confident144 Ų14467.7 Ų67.767%0.67333%0.334SS*.Hα-helixtrans-64.8-41.6-177.2-66.4-69.2-36.200111.5N50 G56N50-Q52 VanDerWaalsContact C-N 3.34Å; N50-Q52 PolarHBondContact O-N 3.4Å; N50-Q52 PolarHBondContact OD1-N 2.92Å; Q52-G56 PolarHBondContact O-N 3.1Å; Q52-G56 VanDerWaalsContact O-N 3.13Å
53R78.1Confident79.4Confident161 Ų16168.1 Ų68.161%0.60834%0.336SS*.Hα-helixtrans-67.5-38173.9-75.6-176.2-179.4142.7-0.2112.1A47 N50 L51 G56 A57A47-R53 HydrophobicContact CB-CB 3.74Å; N50-R53 HydrophobicContact CB-CB 4.15Å; N50-R53 HydrophobicContact CB-CG 4.39Å; N50-R53 PolarHBondContact O-N 3.48Å; N50-R53 PolarHBondContact OD1-N 3.28Å; N50-R53 VanDerWaalsContact OD1-N 3.13Å; L51-R53 PolarHBondContact O-N 3.5Å; R53-G56 PolarHBondContact O-N 3.45Å; R53-A57 WeakPolarHBondContact O-CB 3.46Å; R53-A57 PolarHBondContact O-N 3.3Å
54A80.9Confident77.5Confident0 Ų073.6 Ų73.60%036%0.362CS..Hα-helixtrans-64.4-40.3177.100000112L27 F43 L44 A47 N50 L51 A57 Y58L27-A54 HydrophobicContact CD1-CB 4.42Å; L27-A54 HydrophobicContact CD2-CB 4.31Å; F43-A54 HydrophobicContact CB-CB 4.3Å; L44-A54 HydrophobicContact CD2-CB 3.8Å; L44-A54 HydrophobicContact CG-CB 4.19Å; A47-A54 HydrophobicContact CB-CB 3.82Å; N50-A54 PolarHBondContact O-N 2.81Å; L51-A54 PolarHBondContact O-N 3.18Å; A54-A57 PolarHBondContact O-N 3Å; A54-Y58 WeakPolarHBondContact O-CB 3.29Å; A54-Y58 PolarHBondContact O-N 2.99Å
55I80.2Confident75.7Confident24 Ų2477.1 Ų77.112%0.12340%0.398CS..Hα-helixtrans-61.5-47.8174.1-68162000110.3L27 V30 L51 Y58 F59L27-I55 HydrophobicContact CD1-CB 4.49Å; L27-I55 HydrophobicContact CD1-CG1 3.6Å; V30-I55 HydrophobicContact CB-CD1 4.3Å; V30-I55 HydrophobicContact CG1-CD1 3.96Å; V30-I55 HydrophobicContact CG1-CG1 4.18Å; V30-I55 HydrophobicContact CG1-CG2 4.25Å; V30-I55 HydrophobicContact CG2-CD1 4.18Å; L51-I55 HydrophobicContact CD1-CD1 4.11Å; L51-I55 HydrophobicContact CD1-CG1 4.28Å; L51-I55 HydrophobicContact CG-CD1 3.86Å; L51-I55 HydrophobicContact CG-CG1 4.46Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.17Å; L51-I55 PolarHBondContact O-N 2.71Å; I55-Y58 PolarHBondContact O-N 3.32Å; I55-F59 HydrophobicContact CG2-CD2 3.72Å; I55-F59 HydrophobicContact CG2-CE2 3.61Å; I55-F59 WeakPolarHBondContact O-CD2 3.29Å; I55-F59 PolarHBondContact O-N 3.02Å
56G77.8Confident73.8Confident30 Ų3074.5 Ų74.531%0.30939%0.391SS..Hα-helixtrans-57.3-51.4175.200000111.9Q52 R53 Y58 F59 D60Q52-G56 PolarHBondContact O-N 3.1Å; Q52-G56 VanDerWaalsContact O-N 3.13Å; R53-G56 PolarHBondContact O-N 3.45Å; G56-Y58 VanDerWaalsContact C-N 3.3Å; G56-Y58 PolarHBondContact O-N 3.41Å; G56-F59 PolarHBondContact O-N 3.21Å; G56-F59 VanDerWaalsContact O-N 3.15Å; G56-D60 WeakPolarHBondContact O-CB 3.45Å; G56-D60 PolarHBondContact O-N 2.97Å
57A78.9Confident71.2Confident26 Ų2670.8 Ų70.822%0.21538%0.377CS..Hα-helixtrans-60.5-36.4178.400000113F43 R53 A54 F61F43-A57 HydrophobicContact CD1-CB 4.26Å; R53-A57 WeakPolarHBondContact O-CB 3.46Å; R53-A57 PolarHBondContact O-N 3.3Å; A54-A57 PolarHBondContact O-N 3Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 2.86Å
58Y83.3Confident69Low49 Ų4976.1 Ų76.119%0.19241%0.414CS..Hα-helixtrans-63.7-46.5174.8172.2-92.7000111.8V31 L35 F43 A54 I55 G56 F61 S62V31-Y58 HydrophobicContact CB-CD1 4.26Å; V31-Y58 HydrophobicContact CB-CE1 4.18Å; V31-Y58 HydrophobicContact CG1-CD1 3.5Å; V31-Y58 HydrophobicContact CG1-CD2 4.16Å; V31-Y58 HydrophobicContact CG1-CE1 3.03Å; V31-Y58 HydrophobicContact CG1-CE2 3.75Å; V31-Y58 HydrophobicContact CG1-CG 4.04Å; V31-Y58 WeakPolarHBondContact CG1-OH 3.38Å; V31-Y58 HydrophobicContact CG2-CD1 3.69Å; V31-Y58 HydrophobicContact CG2-CE1 4.1Å; V31-Y58 HydrophobicContact CG2-CG 4.05Å; L35-Y58 HydrophobicContact CD1-CD2 3.94Å; L35-Y58 HydrophobicContact CD1-CE2 3.67Å; L35-Y58 HydrophobicContact CD2-CE2 3.91Å; L35-Y58 HydrophobicContact CG-CE2 4.16Å; F43-Y58 HydrophobicContact CD2-CD2 4.05Å; F43-Y58 AromaticContact CE2-CD2 3.62Å; F43-Y58 HydrophobicContact CE2-CD2 3.62Å; F43-Y58 HydrophobicContact CE2-CE2 4.38Å; F43-Y58 AromaticContact CZ-CD2 3.98Å; F43-Y58 HydrophobicContact CZ-CD2 3.98Å; A54-Y58 WeakPolarHBondContact O-CB 3.29Å; A54-Y58 PolarHBondContact O-N 2.99Å; I55-Y58 PolarHBondContact O-N 3.32Å; G56-Y58 VanDerWaalsContact C-N 3.3Å; G56-Y58 PolarHBondContact O-N 3.41Å; Y58-F61 PolarHBondContact O-N 3.44Å; Y58-S62 WeakPolarHBondContact CE1-OG 3.37Å; Y58-S62 VanDerWaalsContact O-CB 3.26Å; Y58-S62 WeakPolarHBondContact O-CB 3.37Å; Y58-S62 PolarHBondContact O-N 3.24Å; Y58-S62 PolarHBondContact O-OG 2.95Å
59F80.8Confident66.5Low110 Ų11076.5 Ų76.548%0.48242%0.42SS..Hα-helixtrans-71.4-37179.7-75.8-63.6000112.1I55 G56 S62 F63I55-F59 HydrophobicContact CG2-CD2 3.72Å; I55-F59 HydrophobicContact CG2-CE2 3.61Å; I55-F59 WeakPolarHBondContact O-CD2 3.29Å; I55-F59 PolarHBondContact O-N 3.02Å; G56-F59 PolarHBondContact O-N 3.21Å; G56-F59 VanDerWaalsContact O-N 3.15Å; F59-S62 PolarHBondContact O-N 2.81Å; F59-F63 VanDerWaalsContact O-CB 3.23Å; F59-F63 WeakPolarHBondContact O-CB 3.34Å; F59-F63 PolarHBondContact O-N 3.36Å
60D75.1Confident63.9Low110 Ų11080.4 Ų80.459%0.58845%0.454SS*.Hα-helixtrans-63-45.5172.6-71.5-18.8000110.8G56 F63 E64G56-D60 WeakPolarHBondContact O-CB 3.45Å; G56-D60 PolarHBondContact O-N 2.97Å; D60-F63 CarbonylContact O-C 3.58Å; D60-F63 WeakPolarHBondContact O-CA 3.16Å; D60-F63 WeakPolarHBondContact O-CB 3.42Å; D60-F63 PolarHBondContact O-N 3.25Å; D60-F63 VanDerWaalsContact O-N 3.17Å; D60-E64 PolarHBondContact O-N 3.23Å
61F72.8Confident61.3Low122 Ų12282 Ų8254%0.53547%0.469SS..Hα-helixtrans-66-42.2176.9178.5-96.5000112.6F43 A57 Y58 F63 E64 G65F43-F61 HydrophobicContact CE1-CB 3.84Å; F43-F61 HydrophobicContact CE1-CD1 4.28Å; F43-F61 HydrophobicContact CE1-CG 4.07Å; F43-F61 HydrophobicContact CZ-CB 4.13Å; F43-F61 AromaticContact CZ-CD1 3.75Å; F43-F61 HydrophobicContact CZ-CD1 3.75Å; F43-F61 HydrophobicContact CZ-CE1 4.44Å; F43-F61 HydrophobicContact CZ-CG 4.02Å; A57-F61 WeakPolarHBondContact O-CB 3.26Å; A57-F61 PolarHBondContact O-N 2.86Å; Y58-F61 PolarHBondContact O-N 3.44Å; F61-F63 PolarHBondContact O-N 3.45Å; F61-E64 PolarHBondContact O-N 2.86Å; F61-E64 VanDerWaalsContact O-N 3.14Å; F61-G65 PolarHBondContact O-N 3.46Å
62S66.1Low58.8Low54 Ų5485.2 Ų85.238%0.37850%0.5SS..Hα-helixtrans-62.2-28.3175.1-600000111.4Y58 F59Y58-S62 WeakPolarHBondContact CE1-OG 3.37Å; Y58-S62 VanDerWaalsContact O-CB 3.26Å; Y58-S62 WeakPolarHBondContact O-CB 3.37Å; Y58-S62 PolarHBondContact O-N 3.24Å; Y58-S62 PolarHBondContact O-OG 2.95Å; F59-S62 PolarHBondContact O-N 2.81Å
63F54.4Low56.3Low123 Ų12382.8 Ų82.854%0.53950%0.499SS..Hα-helixtrans-81.9-33173.6-164.3-95000112.8F59 D60 F61 G65 S66 A67 W110F59-F63 VanDerWaalsContact O-CB 3.23Å; F59-F63 WeakPolarHBondContact O-CB 3.34Å; F59-F63 PolarHBondContact O-N 3.36Å; D60-F63 CarbonylContact O-C 3.58Å; D60-F63 WeakPolarHBondContact O-CA 3.16Å; D60-F63 WeakPolarHBondContact O-CB 3.42Å; D60-F63 PolarHBondContact O-N 3.25Å; D60-F63 VanDerWaalsContact O-N 3.17Å; F61-F63 PolarHBondContact O-N 3.45Å; F63-G65 VanDerWaalsContact C-N 3.31Å; F63-S66 PolarHBondContact O-N 3.29Å; F63-S66 VanDerWaalsContact O-N 3.12Å; F63-S66 PolarHBondContact O-OG 2.9Å; F63-A67 PolarHBondContact O-N 3.42Å; F63-A67 VanDerWaalsContact O-N 3.11Å; F63-W110 HydrophobicContact CE2-CH2 4.23Å
64E48Very low53.8Low126 Ų12682 Ų8259%0.58951%0.506SS*.Hα-helixtrans-72.1-25.4173.2-74.6-169.5133.100112.6D60 F61 S66 A67D60-E64 PolarHBondContact O-N 3.23Å; F61-E64 PolarHBondContact O-N 2.86Å; F61-E64 VanDerWaalsContact O-N 3.14Å; E64-S66 PolarHBondContact O-N 2.92Å; E64-A67 PolarHBondContact O-N 3.4Å; E64-A67 VanDerWaalsContact O-N 3.14Å
65G48.8Very low51.3Low73 Ų7391.4 Ų91.475%0.75354%0.544SS*.THydrogen-bonded Turntrans-58.9-23166.500000113.7F61 F63F61-G65 PolarHBondContact O-N 3.46Å; F63-G65 VanDerWaalsContact C-N 3.31Å
66S46.5Very low49.1Very low50 Ų5096.2 Ų96.235%0.3558%0.576SS.*THydrogen-bonded Turntrans-103.2-9.7173.955.30000114.1F63 E64F63-S66 PolarHBondContact O-N 3.29Å; F63-S66 VanDerWaalsContact O-N 3.12Å; F63-S66 PolarHBondContact O-OG 2.9Å; E64-S66 PolarHBondContact O-N 2.92Å
67A33Very low46.8Very low41 Ų41102.6 Ų102.634%0.33960%0.602SS.*  trans-103.392.9175.900000110.9F63 E64 V69F63-A67 PolarHBondContact O-N 3.42Å; F63-A67 VanDerWaalsContact O-N 3.11Å; E64-A67 PolarHBondContact O-N 3.4Å; E64-A67 VanDerWaalsContact O-N 3.14Å; A67-V69 PolarHBondContact O-N 2.84Å
68S33.3Very low44.3Very low122 Ų122107 Ų10785%0.85363%0.627SS**  trans-63.484.3165.357.30000110.4S70S68-S70 PolarHBondContact O-N 3.26Å
69V32.7Very low41.7Very low103 Ų103110.3 Ų110.362%0.62466%0.657SS**  trans-80.9111.8163-91.30000108.3A67 C71A67-V69 PolarHBondContact O-N 2.84Å; V69-C71 VanDerWaalsContact C-N 3.29Å; V69-C71 PolarHBondContact O-N 2.89Å
70S30.1Very low39Very low127 Ų127110.6 Ų110.689%0.88867%0.668SS**  trans-58.591.8166.2-63.50000109.2S68S68-S70 PolarHBondContact O-N 3.26Å
71C24.6Very low36.7Very low97 Ų97110.5 Ų110.566%0.65568%0.675SS**  trans-113.8104.2159.353.90000107.2V69 S73V69-C71 VanDerWaalsContact C-N 3.29Å; V69-C71 PolarHBondContact O-N 2.89Å; C71-S73 PolarHBondContact O-N 3.47Å
72A28.5Very low34.4Very low98 Ų98110.7 Ų110.781%0.8169%0.687SS**  trans-57.686168.800000108.9N74A72-N74 PolarHBondContact O-N 3.33Å
73S28.7Very low32.3Very low92 Ų92113.1 Ų113.164%0.64370%0.702SS**  trans-88.597.1162.658.70000106.7C71 Y75C71-S73 PolarHBondContact O-N 3.47Å; S73-Y75 VanDerWaalsContact C-N 3.28Å; S73-Y75 PolarHBondContact O-N 3.07Å
74N26.4Very low30.9Very low144 Ų144116.2 Ų116.277%0.7772%0.718SS**  trans-64.790.6168.6-78.44.7000109A72A72-N74 PolarHBondContact O-N 3.33Å
75Y27.6Very low29.8Very low199 Ų199116.1 Ų116.178%0.7873%0.732SS**  trans-133.8113152.6-69.4-74.3000108.2S73 L77S73-Y75 VanDerWaalsContact C-N 3.28Å; S73-Y75 PolarHBondContact O-N 3.07Å; Y75-L77 PolarHBondContact O-N 3.37Å
76P33.9Very low28.8Very low125 Ų125118.8 Ų118.881%0.81274%0.739SS**  trans-77.6109.7-178.130.6-29.1000107.9
77L30.1Very low27.9Very low163 Ų163120.7 Ų120.785%0.85376%0.758SS**  trans-120.1111.4163.6-74.3172000109Y75Y75-L77 PolarHBondContact O-N 3.37Å
78T26.9Very low27.7Very low119 Ų119126.6 Ų126.673%0.7378%0.784SS**  trans-45.2134.3-176.130.30000114.3V80T78-V80 PolarHBondContact O-N 3.08Å
79S27.3Very low27.4Very low118 Ų118126.7 Ų126.783%0.82578%0.779SS**  trans-49.1117159.350.40000110.6
80V25.1Very low27.1Very low116 Ų116129.2 Ų129.270%0.70379%0.789SS**  trans-111.792.2169.1176.70000107T78 V82T78-V80 PolarHBondContact O-N 3.08Å; V80-V82 HydrophobicContact CG1-CG2 3.52Å
81S26.5Very low27.1Very low108 Ų108128.7 Ų128.776%0.75578%0.784SS**  trans-72.3117.3156.7560000107.5
82V25.1Very low27.1Very low127 Ų127132.3 Ų132.377%0.7779%0.793SS**  trans-122.1109.5164.6176.30000107.7V80V80-V82 HydrophobicContact CG1-CG2 3.52Å
83C20.3Very low27.2Very low105 Ų105138.6 Ų138.671%0.70980%0.796SS**  trans-72.5145.7167.3-52.70000109.7
84E25.6Very low27.3Very low187 Ų187141.6 Ų141.687%0.87480%0.803SS**  trans19.9119.1156.1-69.4177.5131.400118.7
85S25.7Very low27.4Very low125 Ų125141 Ų14187%0.87480%0.8SS**  trans-158126.1131.1-82.10000110.7
86S26.4Very low27.8Very low129 Ų129136.7 Ų136.790%0.90280%0.799SS**  trans-59.8132178.5-42.90000112.4
87A27.4Very low27.9Very low90 Ų90139.6 Ų139.674%0.74480%0.802SS**  trans-160.1128.7148.500000109V89A87-V89 PolarHBondContact O-N 3.08Å
88N29.1Very low28.4Very low165 Ų165137.7 Ų137.788%0.88280%0.796SS**  trans-38.5115173.8-86.7-52.4000112.5
89V28.7Very low28.9Very low124 Ų124139 Ų13975%0.75280%0.798SS**  trans-126.2115.9148.7-171.60000104.2A87 C91A87-V89 PolarHBondContact O-N 3.08Å; V89-C91 PolarHBondContact O-N 2.88Å
90D26.2Very low29.7Very low156 Ų156138 Ų13883%0.83479%0.787SS**  trans-51.487.7167.5-86.6-57.9000108.2M92D90-M92 VanDerWaalsContact C-N 3.26Å; D90-M92 PolarHBondContact O-N 3.37Å
91C29.7Very low30.8Very low115 Ų115138.8 Ų138.878%0.77779%0.787SS**  trans-72.695.8170.156.10000105.6V89 R93V89-C91 PolarHBondContact O-N 2.88Å; C91-R93 PolarHBondContact O-N 3.41Å; C91-R93 VanDerWaalsContact O-N 3.08Å
92M24.8Very low32.1Very low174 Ų174140.3 Ų140.386%0.85778%0.782SS**  trans-39.2120.1162.3-72-170.5165.100108.1D90 I94D90-M92 VanDerWaalsContact C-N 3.26Å; D90-M92 PolarHBondContact O-N 3.37Å; M92-I94 VanDerWaalsContact C-N 3.29Å; M92-I94 PolarHBondContact O-N 3.14Å
93R29.3Very low34.6Very low229 Ų229140.7 Ų140.786%0.86477%0.77SS**  trans-53.597.7167.2-77.2170.5119.5108.7-4.8106.9C91 D95C91-R93 PolarHBondContact O-N 3.41Å; C91-R93 VanDerWaalsContact O-N 3.08Å; R93-D95 PolarHBondContact O-N 3.32Å
94I30.6Very low37.9Very low155 Ų155141.6 Ų141.680%0.79576%0.764SS**  trans-75.9105.4161.5-62177.2000104M92M92-I94 VanDerWaalsContact C-N 3.29Å; M92-I94 PolarHBondContact O-N 3.14Å
95D30.1Very low41.2Very low133 Ų133135.1 Ų135.171%0.71173%0.733SS**  trans-52.9138.2-179.7-73.7-47.2000110.9R93 E97R93-D95 PolarHBondContact O-N 3.32Å; D95-E97 VanDerWaalsContact C-N 3.31Å; D95-E97 PolarHBondContact O-N 3.23Å
96S36.1Very low44.5Very low107 Ų107130.6 Ų130.675%0.74870%0.699SS**SBendtrans-81.650.1-155-53.10000115.2
97E35.2Very low47.8Very low187 Ų187124.4 Ų124.487%0.87466%0.656SS**  trans-109.713.8-176.4-63.3-162.1138.400115.2D95 L99D95-E97 VanDerWaalsContact C-N 3.31Å; D95-E97 PolarHBondContact O-N 3.23Å; E97-L99 VanDerWaalsContact C-N 3.26Å
98V40.8Very low50.9Low122 Ų122125.7 Ų125.774%0.73964%0.641SS**  trans-10144.5155-167.50000109V100V98-V100 HydrophobicContact CG1-CG2 3.7Å; V98-V100 PolarHBondContact O-N 2.82Å
99L37.3Very low53.8Low148 Ų148118.3 Ų118.378%0.77560%0.602SS**  trans-70.473.4148.5-153.287.8000104.9E97 N101E97-L99 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 2.85Å
100V44.3Very low56.4Low96 Ų96116.2 Ų116.258%0.58258%0.58SS**  trans-40.7121.3156.7175.50000103V98 Q102V98-V100 HydrophobicContact CG1-CG2 3.7Å; V98-V100 PolarHBondContact O-N 2.82Å; V100-Q102 HydrophobicContact CB-CG 4.34Å; V100-Q102 HydrophobicContact CG1-CG 4.36Å; V100-Q102 WeakPolarHBondContact O-CA 3.26Å; V100-Q102 WeakPolarHBondContact O-CB 3.45Å; V100-Q102 WeakPolarHBondContact O-CG 3.28Å; V100-Q102 PolarHBondContact O-N 3Å
101N47.5Very low58.6Low133 Ų133113.5 Ų113.571%0.71157%0.571SS**  trans-63.471.9-167.5-157-11.4000108.3L99 R103L99-N101 PolarHBondContact O-N 2.85Å; N101-R103 PolarHBondContact O-N 2.85Å
102Q53.3Low60.2Low140 Ų140108.3 Ų108.365%0.65454%0.536SS*.  trans-79.176.1-168.3-85.6-166.8-11.600104.3V100 Q104V100-Q102 HydrophobicContact CB-CG 4.34Å; V100-Q102 HydrophobicContact CG1-CG 4.36Å; V100-Q102 WeakPolarHBondContact O-CA 3.26Å; V100-Q102 WeakPolarHBondContact O-CB 3.45Å; V100-Q102 WeakPolarHBondContact O-CG 3.28Å; V100-Q102 PolarHBondContact O-N 3Å; Q102-Q104 PolarHBondContact O-N 2.84Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å
103R78.8Confident62Low134 Ų134104.8 Ų104.851%0.50653%0.526SS..  trans-53.1120.4165.6-67.5-177.6177.7-173.91.3105.9N101 F105 D106 G131 S132N101-R103 PolarHBondContact O-N 2.85Å; R103-F105 PolarHBondContact O-N 3.49Å; R103-D106 HydrophobicContact CB-CB 4.08Å; R103-D106 WeakPolarHBondContact CD-OD1 3.41Å; R103-D106 IonicContact NH1-OD1 3.03Å; R103-D106 PolarHBondContact NH1-OD1 3.22Å; R103-G131 VanDerWaalsContact O-CA 3.29Å; R103-G131 WeakPolarHBondContact O-CA 3.46Å; R103-S132 PolarHBondContact O-N 3.3Å
104Q89.7Confident63.4Low124 Ų12498.7 Ų98.758%0.57950%0.504SS*.SBendtrans-58.9-39.2179.9-70.8175.65100110.3Q102 S132 C133Q102-Q104 PolarHBondContact O-N 2.84Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å; Q104-S132 WeakPolarHBondContact CA-OG 3.36Å; Q104-S132 PolarHBondContact O-N 2.86Å; Q104-C133 HydrophobicContact CB-CB 4.43Å; Q104-C133 WeakPolarHBondContact O-CA 3.34Å; Q104-C133 VanDerWaalsContact O-CB 3.26Å; Q104-C133 WeakPolarHBondContact O-CB 3.36Å; Q104-C133 PolarHBondContact O-N 3.18Å
105F94.4Very high64.7Low51 Ų5195.1 Ų95.122%0.22449%0.487CS..SBendtrans-123.2125.7175.5-47.2-71000108.7R103 C133 S134 P136 L211 F217R103-F105 PolarHBondContact O-N 3.49Å; F105-C133 HydrophobicContact CD1-CB 4.05Å; F105-C133 HydrophobicContact CE1-CB 3.59Å; F105-C133 HydrophobicContact CZ-CB 4.24Å; F105-S134 WeakPolarHBondContact CE1-O 3.2Å; F105-P136 HydrophobicContact CE1-CG 4.46Å; F105-L211 HydrophobicContact CB-CD2 4.07Å; F105-L211 HydrophobicContact CD1-CD2 4.22Å; F105-L211 HydrophobicContact CD2-CD1 3.7Å; F105-L211 HydrophobicContact CD2-CD2 3.72Å; F105-L211 HydrophobicContact CD2-CG 4.34Å; F105-L211 HydrophobicContact CE2-CD1 4.08Å; F105-L211 HydrophobicContact CE2-CD2 4.22Å; F105-L211 HydrophobicContact CG-CD1 4.47Å; F105-L211 HydrophobicContact CG-CD2 3.71Å; F105-F217 HydrophobicContact CB-CB 4.26Å; F105-F217 HydrophobicContact CB-CD1 4.46Å; F105-F217 HydrophobicContact CB-CD2 3.84Å; F105-F217 HydrophobicContact CB-CE2 4.25Å; F105-F217 HydrophobicContact CB-CG 3.94Å
106D95.4Very high66.1Low30 Ų3094.1 Ų94.116%0.1649%0.485CS..  trans-149.4147.3177-149.635000108.5R103 N129 C130 W135 G218R103-D106 HydrophobicContact CB-CB 4.08Å; R103-D106 WeakPolarHBondContact CD-OD1 3.41Å; R103-D106 IonicContact NH1-OD1 3.03Å; R103-D106 PolarHBondContact NH1-OD1 3.22Å; D106-N129 PolarHBondContact O-OD1 2.95Å; D106-C130 VanDerWaalsContact CB-SG 3.58Å; D106-C130 PolarHBondContact O-N 2.91Å; D106-C130 PolarHBondContact OD2-SG 3.24Å; D106-W135 PolarHBondContact O-NE1 3Å; D106-G218 VanDerWaalsContact OD1-CA 3.28Å; D106-G218 WeakPolarHBondContact OD1-CA 3.34Å; D106-G218 PolarHBondContact OD1-N 3.09Å
107A94.6Very high67.2Low0 Ų091.5 Ų91.50%047%0.465CS..EExtended strand (participates in β ladder)trans-129.7126.8179.700000108.7E128 W135 F209 F217 G218 E219A107-E128 WeakPolarHBondContact CA-O 3.4Å; A107-W135 HydrophobicContact CB-CH2 3.86Å; A107-W135 HydrophobicContact CB-CZ2 3.49Å; A107-W135 VanDerWaalsContact CB-CZ2 3.49Å; A107-F209 HydrophobicContact CB-CD1 4.31Å; A107-F209 HydrophobicContact CB-CD2 3.77Å; A107-F209 HydrophobicContact CB-CE1 4.5Å; A107-F209 HydrophobicContact CB-CE2 3.99Å; A107-F209 HydrophobicContact CB-CG 3.96Å; A107-F209 HydrophobicContact CB-CZ 4.35Å; A107-F217 HydrophobicContact CB-CD2 4.34Å; A107-F217 HydrophobicContact CB-CE2 3.97Å; A107-G218 VanDerWaalsContact N-CA 3.34Å; A107-G218 WeakPolarHBondContact O-CA 3.33Å; A107-E219 PolarHBondContact O-N 3.39Å
108R93.2Very high68.3Low117 Ų11786.4 Ų86.444%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-111.2135.2172.6178.3172.3-69.2174.12.3109.6V127 E128 C130R108-V127 CarbonylContact O-C 3.47Å; R108-V127 WeakPolarHBondContact O-CA 3.26Å; R108-E128 HydrophobicContact CB-CB 4.44Å; R108-E128 PolarHBondContact N-O 3.13Å; R108-E128 PolarHBondContact O-N 2.93Å; R108-C130 HydrophobicContact CB-CB 4.42Å
109I90.8Very high69Low10 Ų1086.8 Ų86.85%0.05144%0.439CS..EExtended strand (participates in β ladder)trans-103.9110.2-175.2-53.3162.2000109.3F209 E219 L221 R238I109-F209 HydrophobicContact CD1-CE2 4.11Å; I109-F209 HydrophobicContact CG1-CE2 4.09Å; I109-F209 HydrophobicContact CG1-CZ 4.42Å; I109-E219 HydrophobicContact CD1-CB 3.9Å; I109-E219 HydrophobicContact CG1-CB 4.19Å; I109-E219 PolarHBondContact N-OE2 2.86Å; I109-L221 VanDerWaalsContact CD1-CA 3.5Å; I109-L221 HydrophobicContact CD1-CB 3.59Å; I109-L221 HydrophobicContact CD1-CD1 4.1Å; I109-L221 HydrophobicContact CD1-CG 4.42Å; I109-L221 HydrophobicContact CG2-CD1 4.09Å; I109-R238 VanDerWaalsContact CG2-CZ 3.5Å; I109-R238 PolarHBondContact O-NH2 2.8Å
110W83.3Confident70.4Confident79 Ų7980.9 Ų80.930%0.29941%0.414SS..EExtended strand (participates in β ladder)trans-81.3146.9-178.7-73.788.9000112F63 S112 T126 E128 R238F63-W110 HydrophobicContact CE2-CH2 4.23Å; W110-S112 PolarHBondContact O-N 2.83Å; W110-T126 HydrophobicContact CB-CG2 4.05Å; W110-T126 PolarHBondContact N-O 3.22Å; W110-E128 WeakPolarHBondContact CZ2-OE2 3.28Å; W110-E128 VanDerWaalsContact NE1-CB 3.27Å; W110-E128 PolarHBondContact NE1-OE2 3.39Å; W110-R238 PolarHBondContact O-NH1 3.39Å
111P71.2Confident71.9Confident99 Ų9977.1 Ų77.164%0.64339%0.394SS*.  trans-45.8125168.1-26.735.6000110.2R238P111-R238 VanDerWaalsContact CA-NH1 3.27Å
112S64.4Low73.6Confident6 Ų675.1 Ų75.14%0.04238%0.379CS..  trans-82.8129.1-178.5-174.50000107.9W110 Y114 K124W110-S112 PolarHBondContact O-N 2.83Å; S112-Y114 PolarHBondContact O-N 3.15Å; S112-Y114 VanDerWaalsContact O-N 3.14Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.44Å; S112-Y114 PolarHBondContact OG-N 3.07Å; S112-K124 WeakPolarHBondContact CB-O 3.45Å; S112-K124 PolarHBondContact OG-O 3.42Å
113P61.1Low75.1Confident101 Ų10169 Ų6966%0.65635%0.351SS*.THydrogen-bonded Turntrans-67.8-7.9170.529.2-33.2000111.9
114Y59.7Low75.5Confident101 Ų10165.5 Ų65.540%0.39634%0.34SS..THydrogen-bonded Turntrans-99.428.2-174.8-48.3-74.5000113.7S112 V116 K124 D185S112-Y114 PolarHBondContact O-N 3.15Å; S112-Y114 VanDerWaalsContact O-N 3.14Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.44Å; S112-Y114 PolarHBondContact OG-N 3.07Å; Y114-V116 PolarHBondContact O-N 3.32Å; Y114-K124 HydrophobicContact CD1-CD 4.3Å; Y114-K124 HydrophobicContact CD2-CB 3.74Å; Y114-K124 HydrophobicContact CD2-CD 4.16Å; Y114-K124 HydrophobicContact CG-CB 4.04Å; Y114-K124 HydrophobicContact CG-CD 4.04Å; Y114-D185 WeakPolarHBondContact CE2-OD2 3.27Å; Y114-D185 PolarHBondContact OH-OD2 3.11Å
115D56.8Low75.4Confident80 Ų8059.6 Ų59.643%0.42831%0.312SS..  trans-63.915177.8-77.3-22.7000114.5P117D115-P117 VanDerWaalsContact O-CD 3.3Å; D115-P117 WeakPolarHBondContact O-CD 3.37Å
116V59.5Low75.3Confident111 Ų11157.9 Ų57.967%0.67331%0.306SS*.SBendtrans-75119.3167.9-168.90000107.3Y114 E118Y114-V116 PolarHBondContact O-N 3.32Å; V116-E118 PolarHBondContact O-N 3.31Å
117P59.6Low75.2Confident52 Ų5256.5 Ų56.534%0.33830%0.298SS..  trans-60.4101.2173.5-19.231.7000108.7D115 R235D115-P117 VanDerWaalsContact O-CD 3.3Å; D115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-R235 HydrophobicContact CB-CB 4.33Å; P117-R235 HydrophobicContact CB-CG 4.35Å
118E58.2Low75.1Confident81 Ų8157.2 Ų57.238%0.37930%0.302SS..  trans-69.3141.8174.5-71.3-170.9-171.100108.6V116 G120 K124V116-E118 PolarHBondContact O-N 3.31Å; E118-G120 PolarHBondContact O-N 2.85Å; E118-G120 VanDerWaalsContact O-N 3.12Å; E118-K124 IonicContact OE1-NZ 3.98Å; E118-K124 PolarHBondContact OE1-NZ 2.85Å; E118-K124 IonicContact OE2-NZ 3.17Å
119L56.5Low75.3Confident129 Ų12951.7 Ų51.768%0.67528%0.281SS*.SBendtrans-71.5107.6174.2-144.490.4000107.9
120G66.2Low75.3Confident25 Ų2552.8 Ų52.826%0.25829%0.289SS..SBendtrans133.2168.3-178.100000112.3E118 F122 Y236E118-G120 PolarHBondContact O-N 2.85Å; E118-G120 VanDerWaalsContact O-N 3.12Å; G120-F122 PolarHBondContact O-N 3.34Å; G120-Y236 WeakPolarHBondContact O-CD2 3.36Å
121G75.4Confident75.7Confident16 Ų1649.1 Ų49.117%0.16528%0.276CS..SBendtrans-64.911.3-177.500000115.8N189 L190G121-N189 CarbonylContact O-C 3.49Å; G121-L190 PolarHBondContact O-N 3.13Å
122F83Confident76.6Confident91 Ų9146.9 Ų46.940%0.39926%0.262SS..EExtended strand (participates in β ladder)trans-100136.4-169.5-60.7-82000112.6G120 T187 L188 N189G120-F122 PolarHBondContact O-N 3.34Å; F122-T187 HydrophobicContact CB-CG2 4.42Å; F122-T187 HydrophobicContact CD1-CG2 4.07Å; F122-L188 CarbonylContact C-O 3.5Å; F122-L188 WeakPolarHBondContact CA-O 3.41Å; F122-N189 HydrophobicContact CD1-CB 3.9Å; F122-N189 HydrophobicContact CE1-CB 3.61Å; F122-N189 HydrophobicContact CZ-CB 4.44Å
123I85.9Confident78Confident12 Ų1248.6 Ų48.66%0.06227%0.274CS..EExtended strand (participates in β ladder)trans-125.7137.9167.2-49.8-176000108.6V125 T187 L188 L190 C223I123-V125 HydrophobicContact CG2-CG1 3.95Å; I123-T187 CarbonylContact O-C 3.59Å; I123-T187 WeakPolarHBondContact O-CA 3.48Å; I123-L188 PolarHBondContact N-O 3.21Å; I123-L188 PolarHBondContact O-N 3.42Å; I123-L190 HydrophobicContact CD1-CD1 3.32Å; I123-L190 HydrophobicContact CD1-CG 4.38Å; I123-L190 HydrophobicContact CG1-CD1 3.79Å; I123-L190 HydrophobicContact CG1-CG 4.4Å; I123-C223 HydrophobicContact CD1-CB 4.06Å
124K86.2Confident79.6Confident61 Ų6146.1 Ų46.127%0.26526%0.259SS..EExtended strand (participates in β ladder)trans-101.6130169-72.6174-172.1137.80111S112 Y114 E118 L186 T187S112-K124 WeakPolarHBondContact CB-O 3.45Å; S112-K124 PolarHBondContact OG-O 3.42Å; Y114-K124 HydrophobicContact CD1-CD 4.3Å; Y114-K124 HydrophobicContact CD2-CB 3.74Å; Y114-K124 HydrophobicContact CD2-CD 4.16Å; Y114-K124 HydrophobicContact CG-CB 4.04Å; Y114-K124 HydrophobicContact CG-CD 4.04Å; E118-K124 IonicContact OE1-NZ 3.98Å; E118-K124 PolarHBondContact OE1-NZ 2.85Å; E118-K124 IonicContact OE2-NZ 3.17Å; K124-L186 CarbonylContact C-O 3.43Å; K124-L186 WeakPolarHBondContact CA-O 3.21Å; K124-T187 HydrophobicContact CG-CG2 4.23Å
125V88.3Confident81.4Confident0 Ų041.3 Ų41.30%024%0.24CC..EExtended strand (participates in β ladder)trans-133.5137.9179.9-61.90000110.4I123 V127 D185 L186 L188 L221I123-V125 HydrophobicContact CG2-CG1 3.95Å; V125-V127 HydrophobicContact CG2-CG1 4.3Å; V125-D185 CarbonylContact O-C 3.59Å; V125-D185 WeakPolarHBondContact O-CA 3.29Å; V125-L186 HydrophobicContact CG2-CB 3.95Å; V125-L186 PolarHBondContact N-O 2.78Å; V125-L186 PolarHBondContact O-N 2.73Å; V125-L188 HydrophobicContact CG2-CD1 3.98Å; V125-L188 HydrophobicContact CG2-CG 4.29Å; V125-L221 HydrophobicContact CG1-CD1 4.09Å; V125-L221 HydrophobicContact CG1-CD2 4.32Å; V125-L221 HydrophobicContact CG2-CD2 4.01Å
126T91.5Very high83.2Confident15 Ų1539.5 Ų39.59%0.09223%0.233CC..EExtended strand (participates in β ladder)trans-93.9126.8175.8-53.40000109W110 I183 D185W110-T126 HydrophobicContact CB-CG2 4.05Å; W110-T126 PolarHBondContact N-O 3.22Å; T126-I183 HydrophobicContact CG2-CG2 3.32Å; T126-D185 WeakPolarHBondContact CB-OD1 3.36Å; T126-D185 WeakPolarHBondContact CG2-OD1 3.49Å; T126-D185 PolarHBondContact OG1-OD1 3.1Å
127V93Very high85Confident0 Ų042.2 Ų42.20%024%0.238CC..EExtended strand (participates in β ladder)trans-125.7145.5-178.9-56.90000110.4R108 V125 W135 I178 I183 V184 L186 F209R108-V127 CarbonylContact O-C 3.47Å; R108-V127 WeakPolarHBondContact O-CA 3.26Å; V125-V127 HydrophobicContact CG2-CG1 4.3Å; V127-W135 HydrophobicContact CB-CH2 4.45Å; V127-W135 HydrophobicContact CG2-CH2 4.01Å; V127-W135 HydrophobicContact CG2-CZ3 4.44Å; V127-I178 HydrophobicContact CG2-CD1 4.23Å; V127-I183 CarbonylContact O-C 3.55Å; V127-I183 WeakPolarHBondContact O-CA 3.32Å; V127-V184 WeakPolarHBondContact CG2-O 3.29Å; V127-V184 PolarHBondContact N-O 3.33Å; V127-V184 PolarHBondContact O-N 3.03Å; V127-L186 HydrophobicContact CG1-CD1 4.02Å; V127-L186 HydrophobicContact CG1-CG 4.48Å; V127-L186 HydrophobicContact CG2-CD1 3.75Å; V127-L186 HydrophobicContact CG2-CG 3.86Å; V127-F209 HydrophobicContact CG1-CE1 4.23Å; V127-F209 HydrophobicContact CG1-CZ 3.78Å
128E94.2Very high86.8Confident16 Ų1641.8 Ų41.88%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-117.4136.7174.2178.9-172.3-169.300109.6A107 R108 W110 C130 Q182 I183A107-E128 WeakPolarHBondContact CA-O 3.4Å; R108-E128 HydrophobicContact CB-CB 4.44Å; R108-E128 PolarHBondContact N-O 3.13Å; R108-E128 PolarHBondContact O-N 2.93Å; W110-E128 WeakPolarHBondContact CZ2-OE2 3.28Å; W110-E128 VanDerWaalsContact NE1-CB 3.27Å; W110-E128 PolarHBondContact NE1-OE2 3.39Å; E128-C130 PolarHBondContact O-N 3.47Å; E128-Q182 WeakPolarHBondContact CA-O 3.35Å; E128-I183 HydrophobicContact CB-CG1 4.01Å; E128-I183 HydrophobicContact CG-CG1 3.95Å
129N95.6Very high88.7Confident0 Ų037.9 Ų37.90%023%0.225CC..EExtended strand (participates in β ladder)trans-78.998.8162.8-179.46.2000109.8D106 G131 C133 W135 I178 P179 H181 Q182D106-N129 PolarHBondContact O-OD1 2.95Å; N129-G131 VanDerWaalsContact C-N 3.34Å; N129-G131 PolarHBondContact OD1-N 2.66Å; N129-C133 PolarHBondContact ND2-O 3.08Å; N129-W135 HydrophobicContact CB-CZ2 4.01Å; N129-W135 VanDerWaalsContact CG-CD1 3.46Å; N129-W135 VanDerWaalsContact ND2-CD1 3.33Å; N129-W135 PolarHBondContact ND2-NE1 3.07Å; N129-W135 PolarHBondContact OD1-NE1 2.92Å; N129-I178 HydrophobicContact CB-CB 4.4Å; N129-I178 HydrophobicContact CB-CG2 3.87Å; N129-I178 PolarHBondContact ND2-O 3.19Å; N129-P179 WeakPolarHBondContact CB-O 3.41Å; N129-P179 VanDerWaalsContact ND2-C 3.35Å; N129-P179 PolarHBondContact ND2-O 2.73Å; N129-H181 VanDerWaalsContact O-CA 3.29Å; N129-H181 WeakPolarHBondContact O-CA 3.46Å; N129-H181 PolarHBondContact O-N 3.14Å; N129-Q182 PolarHBondContact N-O 3.42Å
130C92.4Very high90.6Very high33 Ų3332.2 Ų32.222%0.22319%0.194CC..  trans-92.68.4175.855.70000113.5D106 R108 E128D106-C130 VanDerWaalsContact CB-SG 3.58Å; D106-C130 PolarHBondContact O-N 2.91Å; D106-C130 PolarHBondContact OD2-SG 3.24Å; R108-C130 HydrophobicContact CB-CB 4.42Å; E128-C130 PolarHBondContact O-N 3.47Å
131G91.7Very high92.1Very high2 Ų231 Ų312%0.02118%0.182CC..SBendtrans-83.3168.4174.500000113.2R103 N129 C133R103-G131 VanDerWaalsContact O-CA 3.29Å; R103-G131 WeakPolarHBondContact O-CA 3.46Å; N129-G131 VanDerWaalsContact C-N 3.34Å; N129-G131 PolarHBondContact OD1-N 2.66Å; G131-C133 VanDerWaalsContact C-N 3.35Å
132S90.3Very high93.1Very high52 Ų5233.3 Ų33.336%0.36419%0.186SC..SBendtrans-81.1-12.1178.462.10000114.4R103 Q104R103-S132 PolarHBondContact O-N 3.3Å; Q104-S132 WeakPolarHBondContact CA-OG 3.36Å; Q104-S132 PolarHBondContact O-N 2.86Å
133C92.7Very high93.7Very high42 Ų4229.4 Ų29.428%0.28417%0.17SC..SBendtrans-120151.2-178.7-61.30000111.8Q104 F105 N129 G131Q104-C133 HydrophobicContact CB-CB 4.43Å; Q104-C133 WeakPolarHBondContact O-CA 3.34Å; Q104-C133 VanDerWaalsContact O-CB 3.26Å; Q104-C133 WeakPolarHBondContact O-CB 3.36Å; Q104-C133 PolarHBondContact O-N 3.18Å; F105-C133 HydrophobicContact CD1-CB 4.05Å; F105-C133 HydrophobicContact CE1-CB 3.59Å; F105-C133 HydrophobicContact CZ-CB 4.24Å; N129-C133 PolarHBondContact ND2-O 3.08Å; G131-C133 VanDerWaalsContact C-N 3.35Å
134S95.7Very high94.2Very high49 Ų4929.2 Ų29.234%0.34317%0.169SC..PPolyproline II helixtrans-61.2138.7168.6-1770000109.3F105 I178F105-S134 WeakPolarHBondContact CE1-O 3.2Å; S134-I178 CarbonylContact C-O 3.58Å; S134-I178 WeakPolarHBondContact CA-O 3.45Å; S134-I178 PolarHBondContact OG-O 2.79Å
135W96.1Very high94.4Very high1 Ų132 Ų320%0.00419%0.185CC..PPolyproline II helixtrans-58.7132.3170.9-61.2-4.7000109.1D106 A107 V127 N129 T139 I175 P177 I178 F209 F217D106-W135 PolarHBondContact O-NE1 3Å; A107-W135 HydrophobicContact CB-CH2 3.86Å; A107-W135 HydrophobicContact CB-CZ2 3.49Å; A107-W135 VanDerWaalsContact CB-CZ2 3.49Å; V127-W135 HydrophobicContact CB-CH2 4.45Å; V127-W135 HydrophobicContact CG2-CH2 4.01Å; V127-W135 HydrophobicContact CG2-CZ3 4.44Å; N129-W135 HydrophobicContact CB-CZ2 4.01Å; N129-W135 VanDerWaalsContact CG-CD1 3.46Å; N129-W135 VanDerWaalsContact ND2-CD1 3.33Å; N129-W135 PolarHBondContact ND2-NE1 3.07Å; N129-W135 PolarHBondContact OD1-NE1 2.92Å; W135-T139 HydrophobicContact CB-CG2 4.38Å; W135-T139 HydrophobicContact CE3-CG2 4.07Å; W135-I175 HydrophobicContact CE3-CG2 4.02Å; W135-I175 HydrophobicContact CZ3-CD1 4.44Å; W135-I175 HydrophobicContact CZ3-CG2 3.96Å; W135-P177 WeakPolarHBondContact O-CA 3.3Å; W135-P177 VanDerWaalsContact O-CB 3.3Å; W135-P177 WeakPolarHBondContact O-CB 3.48Å; W135-I178 HydrophobicContact CD2-CB 3.98Å; W135-I178 HydrophobicContact CD2-CD1 4.42Å; W135-I178 HydrophobicContact CD2-CG1 4.23Å; W135-I178 HydrophobicContact CE3-CB 3.9Å; W135-I178 HydrophobicContact CE3-CD1 3.58Å; W135-I178 HydrophobicContact CE3-CG1 3.62Å; W135-I178 HydrophobicContact CG-CB 4.32Å; W135-I178 HydrophobicContact CH2-CD1 3.89Å; W135-I178 HydrophobicContact CZ3-CB 4.4Å; W135-I178 HydrophobicContact CZ3-CD1 3.29Å; W135-I178 HydrophobicContact CZ3-CG1 3.91Å; W135-I178 PolarHBondContact N-O 2.95Å; W135-F209 HydrophobicContact CH2-CD1 4.18Å; W135-F209 HydrophobicContact CH2-CE1 4.14Å; W135-F209 HydrophobicContact CZ3-CD1 4.22Å; W135-F209 HydrophobicContact CZ3-CE1 4.32Å; W135-F217 AromaticContact CD1-CE2 3.98Å; W135-F217 HydrophobicContact CD2-CE2 4.06Å; W135-F217 AromaticContact CD2-CZ 3.9Å; W135-F217 HydrophobicContact CD2-CZ 3.9Å; W135-F217 AromaticContact CE2-CE2 3.6Å; W135-F217 AromaticContact CE2-CZ 3.95Å; W135-F217 HydrophobicContact CE3-CZ 4.36Å; W135-F217 HydrophobicContact CG-CE2 4.32Å; W135-F217 HydrophobicContact CG-CZ 4.11Å; W135-F217 HydrophobicContact CZ2-CE2 4Å; W135-F217 HydrophobicContact CZ2-CZ 4.48Å; W135-F217 AromaticContact NE1-CE2 3.52Å
136P95.7Very high94.5Very high41 Ų4135.7 Ų35.727%0.26621%0.205SC..PPolyproline II helixtrans-72161.6-175.929.1-35.7000112F105 G138 T139 L211 P212F105-P136 HydrophobicContact CE1-CG 4.46Å; P136-G138 PolarHBondContact O-N 3.27Å; P136-T139 WeakPolarHBondContact CD-OG1 3.39Å; P136-T139 WeakPolarHBondContact O-CB 3.46Å; P136-T139 PolarHBondContact O-N 2.89Å; P136-T139 PolarHBondContact O-OG1 2.88Å; P136-L211 HydrophobicContact CG-CD2 3.82Å; P136-P212 HydrophobicContact CB-CG 4.35Å; P136-P212 HydrophobicContact CG-CG 4.04Å
137E96.6Very high94.4Very high169 Ų16938.4 Ų38.479%0.7922%0.216SC*.THydrogen-bonded Turntrans-60.5135.7170.3-173.2178.1177.700110.6P177 P212E137-P177 HydrophobicContact CB-CG 4.29Å; E137-P212 WeakPolarHBondContact O-CG 3.24Å
138G96.8Very high94.2Very high42 Ų4241.7 Ų41.743%0.43324%0.244SC..THydrogen-bonded Turntrans88.29.1-175.600000114.2P136 F140P136-G138 PolarHBondContact O-N 3.27Å; G138-F140 WeakPolarHBondContact O-CD1 3.32Å
139T97.9Very high94Very high0 Ų042.4 Ų42.40%025%0.249CC..  trans-59142166.3-62.60000110.7W135 P136 I175 C210 F217W135-T139 HydrophobicContact CB-CG2 4.38Å; W135-T139 HydrophobicContact CE3-CG2 4.07Å; P136-T139 WeakPolarHBondContact CD-OG1 3.39Å; P136-T139 WeakPolarHBondContact O-CB 3.46Å; P136-T139 PolarHBondContact O-N 2.89Å; P136-T139 PolarHBondContact O-OG1 2.88Å; T139-I175 HydrophobicContact CG2-CB 4.35Å; T139-I175 PolarHBondContact O-N 3.45Å; T139-C210 WeakPolarHBondContact CA-O 3.4Å; T139-F217 HydrophobicContact CG2-CE1 4.02Å; T139-F217 HydrophobicContact CG2-CZ 3.91Å
140F97.6Very high93.8Very high9 Ų942.4 Ų42.44%0.03925%0.249CC..EExtended strand (participates in β ladder)trans-151.4162.4-178.363.8-84000113.5G138 R142 R172 I173 C210 L211G138-F140 WeakPolarHBondContact O-CD1 3.32Å; F140-R142 HydrophobicContact CD2-CB 4.31Å; F140-R142 HydrophobicContact CE2-CB 4.1Å; F140-R142 HydrophobicContact CE2-CG 4.38Å; F140-R172 HydrophobicContact CB-CB 4.39Å; F140-R172 HydrophobicContact CD2-CB 3.98Å; F140-R172 HydrophobicContact CD2-CG 3.73Å; F140-R172 HydrophobicContact CE2-CG 3.98Å; F140-R172 HydrophobicContact CG-CB 4.41Å; F140-R172 HydrophobicContact CG-CG 4.47Å; F140-I173 CarbonylContact C-O 3.01Å; F140-I173 WeakPolarHBondContact CA-O 3.32Å; F140-I173 WeakPolarHBondContact CB-O 3.47Å; F140-C210 HydrophobicContact CD1-CB 4.21Å; F140-C210 HydrophobicContact CD2-CB 4.02Å; F140-C210 HydrophobicContact CE1-CB 3.86Å; F140-C210 HydrophobicContact CE2-CB 3.65Å; F140-C210 HydrophobicContact CG-CB 4.29Å; F140-C210 HydrophobicContact CZ-CB 3.57Å; F140-C210 PolarHBondContact N-O 3.04Å; F140-C210 PolarHBondContact O-N 3.14Å; F140-L211 VanDerWaalsContact CE1-O 3.28Å; F140-L211 WeakPolarHBondContact CE1-O 3.44Å
141L97.5Very high93.6Very high0 Ų049.8 Ų49.80%027%0.272CS..EExtended strand (participates in β ladder)trans-96.6142163.8-77.4158.7000110.4I167 R172 I173 I175 L186 L188 L207 S208 F209L141-I167 HydrophobicContact CB-CD1 4.05Å; L141-R172 VanDerWaalsContact O-CA 3.32Å; L141-R172 WeakPolarHBondContact O-CA 3.44Å; L141-I173 HydrophobicContact CB-CB 4.32Å; L141-I173 PolarHBondContact N-O 3.06Å; L141-I173 PolarHBondContact O-N 3.11Å; L141-I175 HydrophobicContact CD1-CD1 3.85Å; L141-I175 HydrophobicContact CG-CD1 3.69Å; L141-L186 HydrophobicContact CD1-CD1 4.29Å; L141-L188 HydrophobicContact CD1-CD1 4.3Å; L141-L188 HydrophobicContact CD1-CD2 3.62Å; L141-L207 HydrophobicContact CD2-CB 3.94Å; L141-S208 WeakPolarHBondContact CA-O 3.23Å; L141-F209 HydrophobicContact CD1-CE1 4.25Å; L141-F209 HydrophobicContact CD2-CD1 3.74Å; L141-F209 HydrophobicContact CD2-CD2 4.16Å; L141-F209 HydrophobicContact CD2-CE1 3.78Å; L141-F209 HydrophobicContact CD2-CE2 4.19Å; L141-F209 HydrophobicContact CD2-CG 3.92Å; L141-F209 HydrophobicContact CD2-CZ 4Å; L141-F209 HydrophobicContact CG-CD1 4.11Å; L141-F209 HydrophobicContact CG-CE1 4.13Å
142R96.6Very high93.5Very high65 Ų6553.4 Ų53.425%0.24529%0.291CS..EExtended strand (participates in β ladder)trans-133160.8167.568.1172.2-178.3-111.51.8110.7F140 L207 S208 C210 G214F140-R142 HydrophobicContact CD2-CB 4.31Å; F140-R142 HydrophobicContact CE2-CB 4.1Å; F140-R142 HydrophobicContact CE2-CG 4.38Å; R142-L207 VanDerWaalsContact O-CA 3.26Å; R142-L207 WeakPolarHBondContact O-CA 3.49Å; R142-S208 PolarHBondContact N-O 3.26Å; R142-S208 PolarHBondContact O-N 3.32Å; R142-C210 PolarHBondContact NH1-SG 3.48Å; R142-G214 PolarHBondContact NH1-O 3.26Å; R142-G214 PolarHBondContact NH2-O 2.83Å
143S96.3Very high93.4Very high9 Ų951.3 Ų51.36%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-62.7134.2166.7-46.70000110.6I167 G168 A206S143-I167 PolarHBondContact OG-N 3.45Å; S143-G168 WeakPolarHBondContact CB-O 3.48Å; S143-G168 PolarHBondContact OG-N 2.93Å; S143-G168 PolarHBondContact OG-O 3.04Å; S143-A206 WeakPolarHBondContact CA-O 3.43Å
144E94.7Very high93.4Very high7 Ų750.7 Ų50.73%0.03327%0.271CS..  trans-91.1123.4175.5-173.756.7-91.300110.1D146 V149 A150 N153 A206 S208 R216E144-D146 PolarHBondContact OE1-N 3.37Å; E144-V149 HydrophobicContact CG-CB 4.13Å; E144-V149 HydrophobicContact CG-CG1 3.97Å; E144-A150 HydrophobicContact CB-CB 3.97Å; E144-A150 HydrophobicContact CG-CB 3.64Å; E144-N153 PolarHBondContact O-ND2 3.02Å; E144-A206 HydrophobicContact CB-CB 4.15Å; E144-A206 PolarHBondContact N-O 2.75Å; E144-S208 PolarHBondContact OE2-OG 3.21Å; E144-R216 IonicContact OE2-NH1 3.51Å
145I91.6Very high93.1Very high119 Ų11950.2 Ų50.261%0.6127%0.265SS*.  trans-101.2-23.1-17758.3172.2000111.9H147 L165I145-H147 PolarHBondContact O-N 2.6Å; I145-L165 HydrophobicContact CG2-CD1 4.24Å; I145-L165 HydrophobicContact CG2-CD2 3.78Å
146D91Very high92.7Very high79 Ų7951 Ų5142%0.42227%0.27SS..  trans-78.9108-179.5-176.3-4000110.3E144 A148 V149 A150E144-D146 PolarHBondContact OE1-N 3.37Å; D146-A148 PolarHBondContact O-N 3.5Å; D146-A148 VanDerWaalsContact OD1-CB 3.25Å; D146-A148 WeakPolarHBondContact OD1-CB 3.27Å; D146-A148 PolarHBondContact OD1-N 3.19Å; D146-V149 HydrophobicContact CB-CB 4.35Å; D146-V149 HydrophobicContact CB-CG2 4.07Å; D146-V149 WeakPolarHBondContact O-CB 3.32Å; D146-V149 PolarHBondContact O-N 3.45Å; D146-A150 PolarHBondContact O-N 2.96Å
147H88.8Confident92.2Very high71 Ų7154.4 Ų54.433%0.32930%0.302SS..THydrogen-bonded Turntrans-65.2-21.2179.2-167.5-86.1000113.3I145 V149 A150 R151 L155I145-H147 PolarHBondContact O-N 2.6Å; H147-V149 PolarHBondContact O-N 2.78Å; H147-A150 CarbonylContact O-C 3.55Å; H147-R151 WeakPolarHBondContact O-CA 3.45Å; H147-R151 PolarHBondContact O-N 2.79Å; H147-L155 VanDerWaalsContact CD2-CD1 3.49Å; H147-L155 WeakPolarHBondContact CD2-CD1 3.44Å
148A89.5Confident91.8Very high70 Ų7051.7 Ų51.758%0.57929%0.293SS*.THydrogen-bonded Turntrans-66.5-28.3173.500000111.8D146 R151D146-A148 PolarHBondContact O-N 3.5Å; D146-A148 VanDerWaalsContact OD1-CB 3.25Å; D146-A148 WeakPolarHBondContact OD1-CB 3.27Å; D146-A148 PolarHBondContact OD1-N 3.19Å; A148-R151 PolarHBondContact O-NE 2.88Å
149V89.5Confident91.2Very high30 Ų3055.4 Ų55.418%0.18230%0.303CS..THydrogen-bonded Turntrans-89.5-54.11771790000110.1E144 D146 H147 R151 R216 I220E144-V149 HydrophobicContact CG-CB 4.13Å; E144-V149 HydrophobicContact CG-CG1 3.97Å; D146-V149 HydrophobicContact CB-CB 4.35Å; D146-V149 HydrophobicContact CB-CG2 4.07Å; D146-V149 WeakPolarHBondContact O-CB 3.32Å; D146-V149 PolarHBondContact O-N 3.45Å; H147-V149 PolarHBondContact O-N 2.78Å; V149-R151 PolarHBondContact O-N 2.67Å; V149-R216 VanDerWaalsContact CG2-NH1 3.3Å; V149-I220 HydrophobicContact CG1-CD1 3.53Å; V149-I220 HydrophobicContact CG1-CG1 4.06Å
150A90.8Very high90.7Very high0 Ų059 Ų590%033%0.328CS..  trans-95.470.3-17900000111.2E144 D146 H147 L152 N153 A206 Y222E144-A150 HydrophobicContact CB-CB 3.97Å; E144-A150 HydrophobicContact CG-CB 3.64Å; D146-A150 PolarHBondContact O-N 2.96Å; H147-A150 CarbonylContact O-C 3.55Å; A150-L152 PolarHBondContact O-N 2.89Å; A150-L152 VanDerWaalsContact O-N 3.11Å; A150-N153 HydrophobicContact CB-CB 4.45Å; A150-N153 VanDerWaalsContact CB-ND2 3.29Å; A150-N153 WeakPolarHBondContact CB-ND2 3.2Å; A150-N153 WeakPolarHBondContact O-CB 3.33Å; A150-N153 PolarHBondContact O-N 3.2Å; A150-A206 HydrophobicContact CB-CB 3.4Å; A150-Y222 HydrophobicContact CB-CE1 4.38Å
151R88.7Confident90.3Very high189 Ų18965.2 Ų65.271%0.71336%0.357SS*.THydrogen-bonded Turntrans-64.1-18.5-171.9-61.7-177.8-177.5-178.6-0.6115.1H147 A148 V149 Y222H147-R151 WeakPolarHBondContact O-CA 3.45Å; H147-R151 PolarHBondContact O-N 2.79Å; A148-R151 PolarHBondContact O-NE 2.88Å; V149-R151 PolarHBondContact O-N 2.67Å; R151-Y222 PolarHBondContact N-OH 2.86Å
152L88.7Confident90Very high78 Ų7866.8 Ų66.841%0.40837%0.367SS..THydrogen-bonded Turntrans-97.83.9178.9-51.9176.4000112.7A150 S154 V204 Y222 L241A150-L152 PolarHBondContact O-N 2.89Å; A150-L152 VanDerWaalsContact O-N 3.11Å; L152-S154 PolarHBondContact O-N 3.15Å; L152-V204 HydrophobicContact CB-CG1 4.26Å; L152-V204 VanDerWaalsContact O-CB 3.23Å; L152-V204 WeakPolarHBondContact O-CB 3.46Å; L152-V204 WeakPolarHBondContact O-CG1 3.34Å; L152-Y222 HydrophobicContact CB-CD1 3.8Å; L152-Y222 HydrophobicContact CB-CE1 3.52Å; L152-Y222 HydrophobicContact CD1-CD1 4.32Å; L152-Y222 HydrophobicContact CD1-CD2 4.1Å; L152-Y222 HydrophobicContact CD1-CE1 4.24Å; L152-Y222 HydrophobicContact CD1-CE2 4Å; L152-Y222 HydrophobicContact CD1-CG 4.25Å; L152-Y222 HydrophobicContact CG-CD1 4.46Å; L152-Y222 HydrophobicContact CG-CE1 4.02Å; L152-Y222 HydrophobicContact CG-CE2 4.42Å; L152-L241 HydrophobicContact CD1-CD1 4.16Å; L152-L241 HydrophobicContact CD1-CG 4.47Å
153N89.9Confident89.8Confident7 Ų765.6 Ų65.64%0.03737%0.365CS..PPolyproline II helixtrans-58.8134.6175.4-90.2-13.6000110.3E144 A150 L155 V162 G205 A206E144-N153 PolarHBondContact O-ND2 3.02Å; A150-N153 HydrophobicContact CB-CB 4.45Å; A150-N153 VanDerWaalsContact CB-ND2 3.29Å; A150-N153 WeakPolarHBondContact CB-ND2 3.2Å; A150-N153 WeakPolarHBondContact O-CB 3.33Å; A150-N153 PolarHBondContact O-N 3.2Å; N153-L155 PolarHBondContact O-N 3.05Å; N153-V162 HydrophobicContact CB-CG1 4.18Å; N153-V162 HydrophobicContact CB-CG2 4.33Å; N153-G205 VanDerWaalsContact OD1-C 3.28Å; N153-G205 WeakPolarHBondContact OD1-CA 3.37Å; N153-A206 VanDerWaalsContact OD1-CB 3.29Å; N153-A206 WeakPolarHBondContact OD1-CB 3.25Å; N153-A206 PolarHBondContact OD1-N 2.84Å
154S91Very high89.6Confident29 Ų2965.4 Ų65.420%0.20336%0.363CS..PPolyproline II helixtrans-72.4120.1170.8-63.90000109.7L152 L163 V204L152-S154 PolarHBondContact O-N 3.15Å; S154-L163 WeakPolarHBondContact O-CB 3.25Å; S154-L163 PolarHBondContact O-N 3.16Å; S154-V204 PolarHBondContact N-O 3Å; S154-V204 PolarHBondContact OG-N 3.45Å
155L90.1Very high89.6Confident40 Ų4066.6 Ų66.621%0.20937%0.369CS..BIsolated β-bridgetrans-97.2159.6177.6-61.5-179.8000111.9H147 N153 N159 E161 V162 L163H147-L155 VanDerWaalsContact CD2-CD1 3.49Å; H147-L155 WeakPolarHBondContact CD2-CD1 3.44Å; N153-L155 PolarHBondContact O-N 3.05Å; L155-N159 HydrophobicContact CD1-CB 3.87Å; L155-E161 CarbonylContact C-O 3.59Å; L155-E161 VanDerWaalsContact CA-O 3.28Å; L155-E161 WeakPolarHBondContact CA-O 3.49Å; L155-V162 HydrophobicContact CD2-CG2 3.86Å; L155-L163 VanDerWaalsContact C-CG 3.46Å; L155-L163 VanDerWaalsContact O-CD1 3.24Å; L155-L163 WeakPolarHBondContact O-CD1 3.49Å; L155-L163 WeakPolarHBondContact O-CG 3.44Å
156S87.4Confident89.7Confident16 Ų1660.9 Ų60.911%0.11234%0.34CS..PPolyproline II helixtrans-56.9161.8166.958.20000111.3D158 N159 S160 E161S156-D158 WeakPolarHBondContact CB-OD1 3.26Å; S156-D158 PolarHBondContact O-N 3.46Å; S156-D158 VanDerWaalsContact O-N 3.09Å; S156-D158 PolarHBondContact OG-OD1 3.42Å; S156-N159 WeakPolarHBondContact O-CA 3.25Å; S156-N159 PolarHBondContact O-N 2.89Å; S156-N159 PolarHBondContact O-OD1 3.26Å; S156-S160 PolarHBondContact OG-N 3.49Å; S156-S160 VanDerWaalsContact OG-N 3.16Å; S156-S160 PolarHBondContact OG-OG 3.13Å; S156-E161 PolarHBondContact N-O 3.18Å; S156-E161 PolarHBondContact OG-N 3.13Å; S156-E161 PolarHBondContact OG-O 3.27Å
157A85.4Confident89.8Confident113 Ų11358 Ų5893%0.93433%0.325SS*.THydrogen-bonded Turntrans-60.6-23.9-175.200000114.1
158D88.5Confident89.9Confident113 Ų11355.7 Ų55.760%0.60432%0.32SS*.THydrogen-bonded Turntrans-93.85.2174.963.8-23.9000113.3S156 S160S156-D158 WeakPolarHBondContact CB-OD1 3.26Å; S156-D158 PolarHBondContact O-N 3.46Å; S156-D158 VanDerWaalsContact O-N 3.09Å; S156-D158 PolarHBondContact OG-OD1 3.42Å; D158-S160 PolarHBondContact O-N 2.93Å; D158-S160 PolarHBondContact OD1-N 3.06Å; D158-S160 PolarHBondContact OD1-OG 2.86Å; D158-S160 VanDerWaalsContact OD2-CB 3.27Å; D158-S160 WeakPolarHBondContact OD2-CB 3.27Å; D158-S160 PolarHBondContact OD2-OG 2.75Å
159N85Confident89.8Confident119 Ų11958.1 Ų58.164%0.63633%0.327SS*.SBendtrans56.723.6-176.7-62.3-21.2000114.4L155 S156L155-N159 HydrophobicContact CD1-CB 3.87Å; S156-N159 WeakPolarHBondContact O-CA 3.25Å; S156-N159 PolarHBondContact O-N 2.89Å; S156-N159 PolarHBondContact O-OD1 3.26Å
160S87.1Confident89.7Confident75 Ų7563.5 Ų63.552%0.52436%0.355SS..  trans-87.9-32.3-175.864.30000113.2S156 D158S156-S160 PolarHBondContact OG-N 3.49Å; S156-S160 VanDerWaalsContact OG-N 3.16Å; S156-S160 PolarHBondContact OG-OG 3.13Å; D158-S160 PolarHBondContact O-N 2.93Å; D158-S160 PolarHBondContact OD1-N 3.06Å; D158-S160 PolarHBondContact OD1-OG 2.86Å; D158-S160 VanDerWaalsContact OD2-CB 3.27Å; D158-S160 WeakPolarHBondContact OD2-CB 3.27Å; D158-S160 PolarHBondContact OD2-OG 2.75Å
161E89Confident89.7Confident141 Ų14164.7 Ų64.766%0.65937%0.367SS*.SBendtrans-137.3147-171.8-64.9-173.4155.300112.1L155 S156 L163L155-E161 CarbonylContact C-O 3.59Å; L155-E161 VanDerWaalsContact CA-O 3.28Å; L155-E161 WeakPolarHBondContact CA-O 3.49Å; S156-E161 PolarHBondContact N-O 3.18Å; S156-E161 PolarHBondContact OG-N 3.13Å; S156-E161 PolarHBondContact OG-O 3.27Å; E161-L163 PolarHBondContact O-N 3.48Å
162V91.1Very high90Very high32 Ų3263.5 Ų63.519%0.19436%0.362CS..BIsolated β-bridgetrans-73.6124.1171.1177.70000108.9N153 L155 W164 L165N153-V162 HydrophobicContact CB-CG1 4.18Å; N153-V162 HydrophobicContact CB-CG2 4.33Å; L155-V162 HydrophobicContact CD2-CG2 3.86Å; V162-W164 VanDerWaalsContact C-N 3.27Å; V162-W164 WeakPolarHBondContact CG1-O 3.41Å; V162-W164 PolarHBondContact O-N 3.09Å; V162-L165 HydrophobicContact CB-CD2 4.29Å; V162-L165 HydrophobicContact CG1-CD2 3.93Å
163L90.9Very high90.3Very high41 Ų4161.5 Ų61.522%0.21535%0.352CS..SBendtrans-68.7-25.7-175.7-70.5-178.9000113.7S154 L155 E161 L195 V203S154-L163 WeakPolarHBondContact O-CB 3.25Å; S154-L163 PolarHBondContact O-N 3.16Å; L155-L163 VanDerWaalsContact C-CG 3.46Å; L155-L163 VanDerWaalsContact O-CD1 3.24Å; L155-L163 WeakPolarHBondContact O-CD1 3.49Å; L155-L163 WeakPolarHBondContact O-CG 3.44Å; E161-L163 PolarHBondContact O-N 3.48Å; L163-L195 HydrophobicContact CB-CD1 4.44Å; L163-L195 HydrophobicContact CD1-CD1 4.48Å; L163-L195 HydrophobicContact CD2-CD2 4.49Å; L163-V203 HydrophobicContact CB-CG1 4.01Å
164W92.5Very high90.6Very high5 Ų566 Ų662%0.01938%0.384CS..  trans-147.5126.5-175.2-17941.6000112.9V162 P166 L190 T191 P193 V203 C223 A225 Y236V162-W164 VanDerWaalsContact C-N 3.27Å; V162-W164 WeakPolarHBondContact CG1-O 3.41Å; V162-W164 PolarHBondContact O-N 3.09Å; W164-P166 HydrophobicContact CD2-CG 4.28Å; W164-P166 HydrophobicContact CE3-CG 4.31Å; W164-P166 HydrophobicContact CH2-CB 4.05Å; W164-P166 HydrophobicContact CH2-CG 4.12Å; W164-P166 HydrophobicContact CZ2-CB 3.75Å; W164-P166 HydrophobicContact CZ2-CG 4.11Å; W164-P166 HydrophobicContact CZ3-CG 4.22Å; W164-L190 HydrophobicContact CH2-CD1 3.97Å; W164-L190 HydrophobicContact CZ2-CB 4.31Å; W164-L190 HydrophobicContact CZ2-CD1 4.18Å; W164-T191 WeakPolarHBondContact CZ2-O 3.19Å; W164-T191 PolarHBondContact NE1-O 2.86Å; W164-P193 HydrophobicContact CB-CB 4.29Å; W164-P193 HydrophobicContact CB-CG 4.43Å; W164-P193 VanDerWaalsContact CD1-CA 3.42Å; W164-P193 HydrophobicContact CD2-CG 3.93Å; W164-P193 HydrophobicContact CG-CB 4.05Å; W164-P193 HydrophobicContact CG-CG 3.84Å; W164-V203 HydrophobicContact CB-CG1 3.67Å; W164-C223 HydrophobicContact CH2-CB 4.08Å; W164-C223 HydrophobicContact CZ3-CB 4.19Å; W164-C223 WeakPolarHBondContact CZ3-O 3.44Å; W164-A225 HydrophobicContact CD2-CB 4.32Å; W164-A225 HydrophobicContact CE3-CB 3.92Å; W164-A225 HydrophobicContact CH2-CB 3.71Å; W164-A225 HydrophobicContact CZ2-CB 4.09Å; W164-A225 HydrophobicContact CZ3-CB 3.6Å; W164-Y236 AromaticContact CH2-CD1 3.75Å; W164-Y236 HydrophobicContact CH2-CD1 3.75Å; W164-Y236 HydrophobicContact CH2-CE1 4.05Å; W164-Y236 AromaticContact CZ2-CD1 3.82Å; W164-Y236 HydrophobicContact CZ2-CD1 3.82Å; W164-Y236 AromaticContact CZ2-CE1 3.65Å; W164-Y236 HydrophobicContact CZ2-CE1 3.65Å
165L94.3Very high90.8Very high31 Ų3165.2 Ų65.216%0.16238%0.377CS..  trans-108.8108.9172-61.5-179.2000107.6I145 V162 I167 G168 V169 T191I145-L165 HydrophobicContact CG2-CD1 4.24Å; I145-L165 HydrophobicContact CG2-CD2 3.78Å; V162-L165 HydrophobicContact CB-CD2 4.29Å; V162-L165 HydrophobicContact CG1-CD2 3.93Å; L165-I167 PolarHBondContact O-N 2.95Å; L165-I167 VanDerWaalsContact O-N 3.13Å; L165-G168 PolarHBondContact O-N 3.22Å; L165-V169 HydrophobicContact CD1-CB 4.29Å; L165-V169 HydrophobicContact CD1-CG1 3.45Å; L165-V169 VanDerWaalsContact CD1-CG1 3.45Å; L165-T191 PolarHBondContact O-OG1 2.84Å; L165-T191 VanDerWaalsContact O-OG1 3.1Å
166P93.6Very high91Very high0 Ų070.2 Ų70.20%040%0.403CS..THydrogen-bonded Turntrans-64.5-22-168.2-21.630.9000115W164 L190 T191 L207 C223W164-P166 HydrophobicContact CD2-CG 4.28Å; W164-P166 HydrophobicContact CE3-CG 4.31Å; W164-P166 HydrophobicContact CH2-CB 4.05Å; W164-P166 HydrophobicContact CH2-CG 4.12Å; W164-P166 HydrophobicContact CZ2-CB 3.75Å; W164-P166 HydrophobicContact CZ2-CG 4.11Å; W164-P166 HydrophobicContact CZ3-CG 4.22Å; P166-L190 HydrophobicContact CB-CD1 4.19Å; P166-L190 HydrophobicContact CB-CD2 3.82Å; P166-L190 HydrophobicContact CB-CG 4.41Å; P166-L190 CarbonylContact O-C 3.58Å; P166-L190 WeakPolarHBondContact O-CA 3.46Å; P166-T191 PolarHBondContact O-N 2.87Å; P166-T191 PolarHBondContact O-OG1 3.41Å; P166-T191 VanDerWaalsContact O-OG1 3.11Å; P166-L207 HydrophobicContact CB-CD2 3.94Å; P166-L207 HydrophobicContact CB-CG 4.47Å; P166-L207 HydrophobicContact CG-CD2 4Å; P166-L207 HydrophobicContact CG-CG 4.43Å; P166-C223 HydrophobicContact CG-CB 4.49Å
167I93.9Very high91.4Very high19 Ų1972.5 Ų72.510%0.09742%0.418CS..THydrogen-bonded Turntrans-113.87.6174.7-47163.9000109.9L141 S143 L165 G171 I173 L190 L207L141-I167 HydrophobicContact CB-CD1 4.05Å; S143-I167 PolarHBondContact OG-N 3.45Å; L165-I167 PolarHBondContact O-N 2.95Å; L165-I167 VanDerWaalsContact O-N 3.13Å; I167-G171 VanDerWaalsContact O-CA 3.27Å; I167-G171 WeakPolarHBondContact O-CA 3.41Å; I167-I173 HydrophobicContact CD1-CB 4.41Å; I167-I173 HydrophobicContact CD1-CD1 3.61Å; I167-I173 HydrophobicContact CD1-CG1 3.84Å; I167-I173 HydrophobicContact CG1-CD1 3.84Å; I167-I173 HydrophobicContact CG1-CG1 4.25Å; I167-I173 HydrophobicContact CG2-CD1 4.37Å; I167-I173 HydrophobicContact CG2-CG1 3.99Å; I167-L190 HydrophobicContact CG1-CD2 4.42Å; I167-L207 HydrophobicContact CD1-CD1 4.01Å; I167-L207 HydrophobicContact CD1-CD2 3.48Å; I167-L207 VanDerWaalsContact CD1-CD2 3.48Å; I167-L207 HydrophobicContact CD1-CG 4.34Å; I167-L207 HydrophobicContact CG1-CD1 4.42Å; I167-L207 HydrophobicContact CG1-CD2 3.73Å
168G91.5Very high91.8Very high22 Ų2267.3 Ų67.323%0.22737%0.374CS..  trans78-176.3-170.800000113.8S143 L165S143-G168 WeakPolarHBondContact CB-O 3.48Å; S143-G168 PolarHBondContact OG-N 2.93Å; S143-G168 PolarHBondContact OG-O 3.04Å; L165-G168 PolarHBondContact O-N 3.22Å
169V87.3Confident92.1Very high120 Ų12064.7 Ų64.773%0.72736%0.363SS*.SBendtrans-69.8-46.3-174.4-71.20000113.5L165L165-V169 HydrophobicContact CD1-CB 4.29Å; L165-V169 HydrophobicContact CD1-CG1 3.45Å; L165-V169 VanDerWaalsContact CD1-CG1 3.45Å
170D87.2Confident92.5Very high144 Ų14461.3 Ų61.377%0.7735%0.348SS*.SBendtrans-110.42-177.3-65.4-51.1000112.7
171G90.6Very high92.5Very high24 Ų2463.2 Ų63.225%0.24735%0.348CS..  trans-73.3144.1-177.300000112.1I167I167-G171 VanDerWaalsContact O-CA 3.27Å; I167-G171 WeakPolarHBondContact O-CA 3.41Å
172R94.9Very high92.7Very high164 Ų16460.8 Ų60.862%0.61934%0.337SS*.  trans-136.9138.1179.1-60-177.9-175-171.80.4109.5F140 L141F140-R172 HydrophobicContact CB-CB 4.39Å; F140-R172 HydrophobicContact CD2-CB 3.98Å; F140-R172 HydrophobicContact CD2-CG 3.73Å; F140-R172 HydrophobicContact CE2-CG 3.98Å; F140-R172 HydrophobicContact CG-CB 4.41Å; F140-R172 HydrophobicContact CG-CG 4.47Å; L141-R172 VanDerWaalsContact O-CA 3.32Å; L141-R172 WeakPolarHBondContact O-CA 3.44Å
173I94.8Very high92.8Very high36 Ų3663.5 Ų63.519%0.18535%0.349CS..EExtended strand (participates in β ladder)trans-104.5112167.7-63.7171.5000106.9F140 L141 I167 L188F140-I173 CarbonylContact C-O 3.01Å; F140-I173 WeakPolarHBondContact CA-O 3.32Å; F140-I173 WeakPolarHBondContact CB-O 3.47Å; L141-I173 HydrophobicContact CB-CB 4.32Å; L141-I173 PolarHBondContact N-O 3.06Å; L141-I173 PolarHBondContact O-N 3.11Å; I167-I173 HydrophobicContact CD1-CB 4.41Å; I167-I173 HydrophobicContact CD1-CD1 3.61Å; I167-I173 HydrophobicContact CD1-CG1 3.84Å; I167-I173 HydrophobicContact CG1-CD1 3.84Å; I167-I173 HydrophobicContact CG1-CG1 4.25Å; I167-I173 HydrophobicContact CG2-CD1 4.37Å; I167-I173 HydrophobicContact CG2-CG1 3.99Å; I173-L188 HydrophobicContact CD1-CB 4.11Å; I173-L188 HydrophobicContact CD1-CD2 3.97Å; I173-L188 HydrophobicContact CG2-CD2 4.29Å
174S96.4Very high92.8Very high103 Ų10363.5 Ų63.572%0.7235%0.351SS*.EExtended strand (participates in β ladder)trans-70.2135.7178.7-61.10000110.2
175I95.9Very high92.8Very high11 Ų1166.8 Ų66.86%0.05637%0.369CS..  trans-114.3133.8177-60.6166000108.1W135 T139 L141 I178 L186 F209W135-I175 HydrophobicContact CE3-CG2 4.02Å; W135-I175 HydrophobicContact CZ3-CD1 4.44Å; W135-I175 HydrophobicContact CZ3-CG2 3.96Å; T139-I175 HydrophobicContact CG2-CB 4.35Å; T139-I175 PolarHBondContact O-N 3.45Å; L141-I175 HydrophobicContact CD1-CD1 3.85Å; L141-I175 HydrophobicContact CG-CD1 3.69Å; I175-I178 HydrophobicContact CG2-CD1 4.04Å; I175-I178 HydrophobicContact CG2-CG1 4.27Å; I175-L186 HydrophobicContact CD1-CD1 3.94Å; I175-L186 HydrophobicContact CG1-CD1 4.26Å; I175-L186 HydrophobicContact CG2-CD2 4.25Å; I175-F209 HydrophobicContact CD1-CD1 3.78Å; I175-F209 HydrophobicContact CD1-CE1 3.92Å
176L94Very high92.6Very high146 Ų14666.4 Ų66.476%0.76437%0.367SS*.  trans-67.1151.6174.5-66.9176.3000110.5I178L176-I178 VanDerWaalsContact O-CG1 3.27Å; L176-I178 WeakPolarHBondContact O-CG1 3.33Å; L176-I178 PolarHBondContact O-N 3.16Å
177P94.7Very high92.4Very high63 Ų6370.3 Ų70.341%0.40939%0.391SS..  trans-49.9125.7173-30.237.7000112.3W135 E137W135-P177 WeakPolarHBondContact O-CA 3.3Å; W135-P177 VanDerWaalsContact O-CB 3.3Å; W135-P177 WeakPolarHBondContact O-CB 3.48Å; E137-P177 HydrophobicContact CB-CG 4.29Å
178I95.1Very high92.2Very high4 Ų469.5 Ų69.52%0.02139%0.387CS..  trans-112.5113.6177.8-52.5-166.5000107.8V127 N129 S134 W135 I175 L176 Q182 V184V127-I178 HydrophobicContact CG2-CD1 4.23Å; N129-I178 HydrophobicContact CB-CB 4.4Å; N129-I178 HydrophobicContact CB-CG2 3.87Å; N129-I178 PolarHBondContact ND2-O 3.19Å; S134-I178 CarbonylContact C-O 3.58Å; S134-I178 WeakPolarHBondContact CA-O 3.45Å; S134-I178 PolarHBondContact OG-O 2.79Å; W135-I178 HydrophobicContact CD2-CB 3.98Å; W135-I178 HydrophobicContact CD2-CD1 4.42Å; W135-I178 HydrophobicContact CD2-CG1 4.23Å; W135-I178 HydrophobicContact CE3-CB 3.9Å; W135-I178 HydrophobicContact CE3-CD1 3.58Å; W135-I178 HydrophobicContact CE3-CG1 3.62Å; W135-I178 HydrophobicContact CG-CB 4.32Å; W135-I178 HydrophobicContact CH2-CD1 3.89Å; W135-I178 HydrophobicContact CZ3-CB 4.4Å; W135-I178 HydrophobicContact CZ3-CD1 3.29Å; W135-I178 HydrophobicContact CZ3-CG1 3.91Å; W135-I178 PolarHBondContact N-O 2.95Å; I175-I178 HydrophobicContact CG2-CD1 4.04Å; I175-I178 HydrophobicContact CG2-CG1 4.27Å; L176-I178 VanDerWaalsContact O-CG1 3.27Å; L176-I178 WeakPolarHBondContact O-CG1 3.33Å; L176-I178 PolarHBondContact O-N 3.16Å; I178-Q182 HydrophobicContact CG2-CB 3.82Å; I178-Q182 HydrophobicContact CG2-CG 4.37Å; I178-V184 HydrophobicContact CD1-CB 3.96Å; I178-V184 HydrophobicContact CD1-CG1 4.44Å; I178-V184 HydrophobicContact CD1-CG2 3.89Å; I178-V184 HydrophobicContact CG1-CG2 4.36Å; I178-V184 HydrophobicContact CG2-CG2 3.94Å
179P94.3Very high92.1Very high58 Ų5872.9 Ų72.938%0.37740%0.4SS..  trans-58.3157.9173.9-26.537.6000113.1N129 H181 Q182N129-P179 WeakPolarHBondContact CB-O 3.41Å; N129-P179 VanDerWaalsContact ND2-C 3.35Å; N129-P179 PolarHBondContact ND2-O 2.73Å; P179-H181 PolarHBondContact O-N 2.79Å; P179-Q182 WeakPolarHBondContact O-CB 3.47Å; P179-Q182 PolarHBondContact O-N 3.28Å
180P93.5Very high92.3Very high49 Ų4967.4 Ų67.432%0.31837%0.367SS..THydrogen-bonded Turntrans-52.4141.1175.6-2635.9000112Q182P180-Q182 PolarHBondContact O-N 3.14Å; P180-Q182 VanDerWaalsContact O-N 3.08Å
181H87.7Confident92.4Very high114 Ų11463.5 Ų63.553%0.52835%0.348SS..THydrogen-bonded Turntrans62.39.1177.9-48.1-64.8000115.1N129 P179N129-H181 VanDerWaalsContact O-CA 3.29Å; N129-H181 WeakPolarHBondContact O-CA 3.46Å; N129-H181 PolarHBondContact O-N 3.14Å; P179-H181 PolarHBondContact O-N 2.79Å
182Q92.4Very high92.4Very high91 Ų9166 Ų6643%0.42536%0.36SS..  trans-82.4136.3172.7-168.8-179.243.500110.5E128 N129 I178 P179 P180 V184E128-Q182 WeakPolarHBondContact CA-O 3.35Å; N129-Q182 PolarHBondContact N-O 3.42Å; I178-Q182 HydrophobicContact CG2-CB 3.82Å; I178-Q182 HydrophobicContact CG2-CG 4.37Å; P179-Q182 WeakPolarHBondContact O-CB 3.47Å; P179-Q182 PolarHBondContact O-N 3.28Å; P180-Q182 PolarHBondContact O-N 3.14Å; P180-Q182 VanDerWaalsContact O-N 3.08Å; Q182-V184 HydrophobicContact CG-CG2 3.95Å
183I92.9Very high92.1Very high88 Ų8858.6 Ų58.645%0.45133%0.333SS..EExtended strand (participates in β ladder)trans-102.4131.2172.5-54.5179.5000109T126 V127 E128T126-I183 HydrophobicContact CG2-CG2 3.32Å; V127-I183 CarbonylContact O-C 3.55Å; V127-I183 WeakPolarHBondContact O-CA 3.32Å; E128-I183 HydrophobicContact CB-CG1 4.01Å; E128-I183 HydrophobicContact CG-CG1 3.95Å
184V92.3Very high91.4Very high42 Ų4264.5 Ų64.526%0.25537%0.365SS..EExtended strand (participates in β ladder)trans-138.6140-175.9-177.80000110.4V127 I178 Q182 L186V127-V184 WeakPolarHBondContact CG2-O 3.29Å; V127-V184 PolarHBondContact N-O 3.33Å; V127-V184 PolarHBondContact O-N 3.03Å; I178-V184 HydrophobicContact CD1-CB 3.96Å; I178-V184 HydrophobicContact CD1-CG1 4.44Å; I178-V184 HydrophobicContact CD1-CG2 3.89Å; I178-V184 HydrophobicContact CG1-CG2 4.36Å; I178-V184 HydrophobicContact CG2-CG2 3.94Å; Q182-V184 HydrophobicContact CG-CG2 3.95Å; V184-L186 HydrophobicContact CG1-CD2 4.31Å
185D91.3Very high90.7Very high74 Ų7461.6 Ų61.640%0.39634%0.341SS..EExtended strand (participates in β ladder)trans-86.4125.3170-72.4-20.4000110.6Y114 V125 T126Y114-D185 WeakPolarHBondContact CE2-OD2 3.27Å; Y114-D185 PolarHBondContact OH-OD2 3.11Å; V125-D185 CarbonylContact O-C 3.59Å; V125-D185 WeakPolarHBondContact O-CA 3.29Å; T126-D185 WeakPolarHBondContact CB-OD1 3.36Å; T126-D185 WeakPolarHBondContact CG2-OD1 3.49Å; T126-D185 PolarHBondContact OG1-OD1 3.1Å
186L90.6Very high89.6Confident23 Ų2368.1 Ų68.112%0.1237%0.371CS..EExtended strand (participates in β ladder)trans-104133.2172.8-57.5-178.9000109.9K124 V125 V127 L141 I175 V184 L188 F209K124-L186 CarbonylContact C-O 3.43Å; K124-L186 WeakPolarHBondContact CA-O 3.21Å; V125-L186 HydrophobicContact CG2-CB 3.95Å; V125-L186 PolarHBondContact N-O 2.78Å; V125-L186 PolarHBondContact O-N 2.73Å; V127-L186 HydrophobicContact CG1-CD1 4.02Å; V127-L186 HydrophobicContact CG1-CG 4.48Å; V127-L186 HydrophobicContact CG2-CD1 3.75Å; V127-L186 HydrophobicContact CG2-CG 3.86Å; L141-L186 HydrophobicContact CD1-CD1 4.29Å; I175-L186 HydrophobicContact CD1-CD1 3.94Å; I175-L186 HydrophobicContact CG1-CD1 4.26Å; I175-L186 HydrophobicContact CG2-CD2 4.25Å; V184-L186 HydrophobicContact CG1-CD2 4.31Å; L186-L188 HydrophobicContact CB-CD2 4.12Å; L186-F209 HydrophobicContact CD1-CE1 4.17Å
187T88.4Confident88.6Confident82 Ų8263.1 Ų63.150%0.50335%0.345SS..EExtended strand (participates in β ladder)trans-103.5117.4169.1-55.40000108.8F122 I123 K124F122-T187 HydrophobicContact CB-CG2 4.42Å; F122-T187 HydrophobicContact CD1-CG2 4.07Å; I123-T187 CarbonylContact O-C 3.59Å; I123-T187 WeakPolarHBondContact O-CA 3.48Å; K124-T187 HydrophobicContact CG-CG2 4.23Å
188L90.1Very high87.2Confident1 Ų166.2 Ų66.21%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-105.1130.4-174.7-51.7-178.1000109.7F122 I123 V125 L141 I173 L186 L190 L207 L221F122-L188 CarbonylContact C-O 3.5Å; F122-L188 WeakPolarHBondContact CA-O 3.41Å; I123-L188 PolarHBondContact N-O 3.21Å; I123-L188 PolarHBondContact O-N 3.42Å; V125-L188 HydrophobicContact CG2-CD1 3.98Å; V125-L188 HydrophobicContact CG2-CG 4.29Å; L141-L188 HydrophobicContact CD1-CD1 4.3Å; L141-L188 HydrophobicContact CD1-CD2 3.62Å; I173-L188 HydrophobicContact CD1-CB 4.11Å; I173-L188 HydrophobicContact CD1-CD2 3.97Å; I173-L188 HydrophobicContact CG2-CD2 4.29Å; L186-L188 HydrophobicContact CB-CD2 4.12Å; L188-L190 HydrophobicContact CB-CD2 4.07Å; L188-L207 HydrophobicContact CD1-CD1 3.87Å; L188-L221 HydrophobicContact CD1-CD2 3.45Å; L188-L221 VanDerWaalsContact CD1-CD2 3.45Å
189N89.1Confident85.8Confident93 Ų9370.6 Ų70.650%0.49738%0.375SS..EExtended strand (participates in β ladder)trans-100.4110.7172.9-173.612.3000109.3G121 F122G121-N189 CarbonylContact O-C 3.49Å; F122-N189 HydrophobicContact CD1-CB 3.9Å; F122-N189 HydrophobicContact CE1-CB 3.61Å; F122-N189 HydrophobicContact CZ-CB 4.44Å
190L91.2Very high84.8Confident6 Ų675 Ų753%0.03139%0.391CS..PPolyproline II helixtrans-99.6145.1-173.8-54-171.5000111.8G121 I123 W164 P166 I167 L188 L207 C223 Y236G121-L190 PolarHBondContact O-N 3.13Å; I123-L190 HydrophobicContact CD1-CD1 3.32Å; I123-L190 HydrophobicContact CD1-CG 4.38Å; I123-L190 HydrophobicContact CG1-CD1 3.79Å; I123-L190 HydrophobicContact CG1-CG 4.4Å; W164-L190 HydrophobicContact CH2-CD1 3.97Å; W164-L190 HydrophobicContact CZ2-CB 4.31Å; W164-L190 HydrophobicContact CZ2-CD1 4.18Å; P166-L190 HydrophobicContact CB-CD1 4.19Å; P166-L190 HydrophobicContact CB-CD2 3.82Å; P166-L190 HydrophobicContact CB-CG 4.41Å; P166-L190 CarbonylContact O-C 3.58Å; P166-L190 WeakPolarHBondContact O-CA 3.46Å; I167-L190 HydrophobicContact CG1-CD2 4.42Å; L188-L190 HydrophobicContact CB-CD2 4.07Å; L190-L207 HydrophobicContact CD2-CD1 4.33Å; L190-C223 HydrophobicContact CD1-CB 4Å; L190-Y236 HydrophobicContact CB-CD1 4.29Å; L190-Y236 HydrophobicContact CB-CE1 4.33Å; L190-Y236 HydrophobicContact CD1-CD1 4.09Å; L190-Y236 HydrophobicContact CD1-CG 4.47Å
191T90.9Very high84.4Confident61 Ų6176 Ų7637%0.37440%0.398SS..PPolyproline II helixtrans-81.6141.9171.6550000110.2W164 L165 P166W164-T191 WeakPolarHBondContact CZ2-O 3.19Å; W164-T191 PolarHBondContact NE1-O 2.86Å; L165-T191 PolarHBondContact O-OG1 2.84Å; L165-T191 VanDerWaalsContact O-OG1 3.1Å; P166-T191 PolarHBondContact O-N 2.87Å; P166-T191 PolarHBondContact O-OG1 3.41Å; P166-T191 VanDerWaalsContact O-OG1 3.11Å
192P89.1Confident84.4Confident78 Ų7872.2 Ų72.251%0.50638%0.383SS..PPolyproline II helixtrans-63.2150.2173.726.2-33.4000112.6W234 Y236P192-W234 HydrophobicContact CB-CG 4.48Å; P192-Y236 WeakPolarHBondContact CA-OH 3.27Å; P192-Y236 WeakPolarHBondContact CB-OH 3.32Å
193P88.5Confident84.4Confident7 Ų767.9 Ų67.95%0.04536%0.363CS..PPolyproline II helixtrans-53.3140.9168-23.932.8000111.4W164 L195 A225 W234W164-P193 HydrophobicContact CB-CB 4.29Å; W164-P193 HydrophobicContact CB-CG 4.43Å; W164-P193 VanDerWaalsContact CD1-CA 3.42Å; W164-P193 HydrophobicContact CD2-CG 3.93Å; W164-P193 HydrophobicContact CG-CB 4.05Å; W164-P193 HydrophobicContact CG-CG 3.84Å; P193-L195 HydrophobicContact CB-CB 4.34Å; P193-L195 HydrophobicContact CB-CD1 4.27Å; P193-L195 HydrophobicContact CB-CG 4.32Å; P193-L195 PolarHBondContact O-N 2.81Å; P193-A225 HydrophobicContact CG-CB 3.57Å; P193-W234 HydrophobicContact CB-CH2 4.27Å; P193-W234 HydrophobicContact CB-CZ2 4.03Å; P193-W234 HydrophobicContact CG-CD2 3.93Å; P193-W234 HydrophobicContact CG-CE3 3.98Å; P193-W234 HydrophobicContact CG-CH2 4.11Å; P193-W234 HydrophobicContact CG-CZ2 4.06Å; P193-W234 HydrophobicContact CG-CZ3 4.06Å
194N81.7Confident84.3Confident160 Ų16065.1 Ų65.186%0.85635%0.35SS*.SBendtrans-81.549.8174.2-162.41.1000110.8
195L80Confident84.4Confident43 Ų4363.1 Ų63.123%0.22534%0.338CS..SBendtrans-124146.7-179.1-64.5172.5000108.5L163 P193 Y199 V203 W234L163-L195 HydrophobicContact CB-CD1 4.44Å; L163-L195 HydrophobicContact CD1-CD1 4.48Å; L163-L195 HydrophobicContact CD2-CD2 4.49Å; P193-L195 HydrophobicContact CB-CB 4.34Å; P193-L195 HydrophobicContact CB-CD1 4.27Å; P193-L195 HydrophobicContact CB-CG 4.32Å; P193-L195 PolarHBondContact O-N 2.81Å; L195-Y199 HydrophobicContact CD1-CD1 4.05Å; L195-Y199 HydrophobicContact CD1-CE1 4.23Å; L195-Y199 HydrophobicContact CD1-CG 4.3Å; L195-V203 HydrophobicContact CD1-CG2 3.74Å; L195-W234 HydrophobicContact CB-CZ2 4.38Å
196Q74.7Confident84.5Confident148 Ų14859.6 Ų59.669%0.69232%0.32SS*.  trans-63.4137.5172-65.6-64.1-44.600109N198 Y199Q196-N198 WeakPolarHBondContact CB-OD1 3.42Å; Q196-N198 PolarHBondContact O-N 2.86Å; Q196-N198 PolarHBondContact O-OD1 2.81Å; Q196-Y199 WeakPolarHBondContact O-CB 3.1Å; Q196-Y199 PolarHBondContact O-N 2.84Å
197L71.8Confident84.8Confident41 Ų4158.5 Ų58.522%0.21531%0.314CS..THydrogen-bonded Turntrans-61.6-13.6-180-80.5162.4000113.7Y199 L229 M232 T233 W234L197-Y199 PolarHBondContact O-N 3.35Å; L197-L229 WeakPolarHBondContact O-CD2 3.43Å; L197-M232 HydrophobicContact CD1-CB 4.35Å; L197-M232 VanDerWaalsContact CD1-O 3.27Å; L197-M232 WeakPolarHBondContact CD1-O 3.43Å; L197-T233 WeakPolarHBondContact CD2-O 3.4Å; L197-W234 HydrophobicContact CD2-CD2 4.23Å; L197-W234 HydrophobicContact CD2-CG 4.37Å; L197-W234 HydrophobicContact CD2-CZ2 4.16Å
198N65.8Low85.2Confident128 Ų12854.6 Ų54.668%0.68429%0.29SS*.THydrogen-bonded Turntrans-66.4-10.117065.7-4.6000112.9Q196 Q200Q196-N198 WeakPolarHBondContact CB-OD1 3.42Å; Q196-N198 PolarHBondContact O-N 2.86Å; Q196-N198 PolarHBondContact O-OD1 2.81Å; N198-Q200 PolarHBondContact O-N 3.07Å
199Y66Low85.5Confident96 Ų9654.6 Ų54.638%0.37629%0.29SS..  trans-71.4100.8169.6-156.1-95.7000109.3L195 Q196 L197 C201 V203 P227L195-Y199 HydrophobicContact CD1-CD1 4.05Å; L195-Y199 HydrophobicContact CD1-CE1 4.23Å; L195-Y199 HydrophobicContact CD1-CG 4.3Å; Q196-Y199 WeakPolarHBondContact O-CB 3.1Å; Q196-Y199 PolarHBondContact O-N 2.84Å; L197-Y199 PolarHBondContact O-N 3.35Å; Y199-C201 VanDerWaalsContact C-N 3.26Å; Y199-C201 HydrophobicContact CD1-CB 4.14Å; Y199-C201 WeakPolarHBondContact CD1-O 3.48Å; Y199-C201 HydrophobicContact CE1-CB 3.74Å; Y199-C201 PolarHBondContact O-N 2.89Å; Y199-V203 HydrophobicContact CD1-CG2 4.08Å; Y199-V203 HydrophobicContact CE1-CG2 3.92Å; Y199-P227 WeakPolarHBondContact O-CG 3.28Å
200Q73.1Confident85.9Confident150 Ų15050.1 Ų50.170%0.70127%0.266SS*.  trans-80.9-3.4-173.3-66-178.61000113.9N198 L229N198-Q200 PolarHBondContact O-N 3.07Å; Q200-L229 HydrophobicContact CG-CD1 4.5Å
201C84.6Confident86.2Confident69 Ų6950.9 Ų50.947%0.46627%0.27SS..SBendtrans-93.9137.1-177.8-61.80000110.8Y199Y199-C201 VanDerWaalsContact C-N 3.26Å; Y199-C201 HydrophobicContact CD1-CB 4.14Å; Y199-C201 WeakPolarHBondContact CD1-O 3.48Å; Y199-C201 HydrophobicContact CE1-CB 3.74Å; Y199-C201 PolarHBondContact O-N 2.89Å
202P88.8Confident86.5Confident35 Ų3551.2 Ų51.223%0.22727%0.273CS..  trans-57.5146.2167.3-22.433.6000111.4T224 A225 V226 M253P202-T224 HydrophobicContact CB-CG2 3.72Å; P202-A225 CarbonylContact C-O 3.59Å; P202-A225 VanDerWaalsContact CA-O 3.28Å; P202-A225 WeakPolarHBondContact CA-O 3.3Å; P202-V226 HydrophobicContact CB-CG2 4.27Å; P202-V226 HydrophobicContact CG-CG2 4.43Å; P202-M253 HydrophobicContact CG-CE 3.88Å
203V90.5Very high86.8Confident0 Ų052.8 Ų52.80%028%0.277CS..EExtended strand (participates in β ladder)trans-121.1132179-1740000108.4L163 W164 L195 Y199 T224 A225L163-V203 HydrophobicContact CB-CG1 4.01Å; W164-V203 HydrophobicContact CB-CG1 3.67Å; L195-V203 HydrophobicContact CD1-CG2 3.74Å; Y199-V203 HydrophobicContact CD1-CG2 4.08Å; Y199-V203 HydrophobicContact CE1-CG2 3.92Å; V203-T224 CarbonylContact O-C 3.59Å; V203-T224 WeakPolarHBondContact O-CA 3.28Å; V203-A225 PolarHBondContact N-O 3.03Å; V203-A225 PolarHBondContact O-N 2.88Å
204V92.3Very high87.1Confident30 Ų3053.5 Ų53.518%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-103.7130.9-178.3-178.70000109.2L152 S154 Y222 C223 T224L152-V204 HydrophobicContact CB-CG1 4.26Å; L152-V204 VanDerWaalsContact O-CB 3.23Å; L152-V204 WeakPolarHBondContact O-CB 3.46Å; L152-V204 WeakPolarHBondContact O-CG1 3.34Å; S154-V204 PolarHBondContact N-O 3Å; S154-V204 PolarHBondContact OG-N 3.45Å; V204-Y222 HydrophobicContact CG1-CD1 4.06Å; V204-C223 CarbonylContact C-O 3.51Å; V204-C223 WeakPolarHBondContact CA-O 3.11Å; V204-T224 HydrophobicContact CG2-CG2 4.27Å
205G93.2Very high87.8Confident0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-121.1165.7168.400000110.2N153 Y222 C223N153-G205 VanDerWaalsContact OD1-C 3.28Å; N153-G205 WeakPolarHBondContact OD1-CA 3.37Å; G205-Y222 WeakPolarHBondContact O-CA 3.35Å; G205-C223 PolarHBondContact N-O 2.76Å; G205-C223 PolarHBondContact O-N 2.83Å; G205-C223 VanDerWaalsContact O-O 3.12Å
206A94.7Very high88.5Confident1 Ų153.8 Ų53.81%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-131.5148.5-178.400000111.3S143 E144 A150 N153 I220 L221 Y222S143-A206 WeakPolarHBondContact CA-O 3.43Å; E144-A206 HydrophobicContact CB-CB 4.15Å; E144-A206 PolarHBondContact N-O 2.75Å; A150-A206 HydrophobicContact CB-CB 3.4Å; N153-A206 VanDerWaalsContact OD1-CB 3.29Å; N153-A206 WeakPolarHBondContact OD1-CB 3.25Å; N153-A206 PolarHBondContact OD1-N 2.84Å; A206-I220 HydrophobicContact CB-CG2 3.75Å; A206-L221 CarbonylContact C-O 3.54Å; A206-L221 WeakPolarHBondContact CA-O 3.35Å; A206-Y222 HydrophobicContact CB-CD1 3.75Å; A206-Y222 HydrophobicContact CB-CE1 3.72Å
207L96.1Very high89.5Confident0 Ų047.6 Ų47.60%025%0.25CS..EExtended strand (participates in β ladder)trans-124.2140.6177.8-56.7178.8000110.3L141 R142 P166 I167 L188 L190 L221L141-L207 HydrophobicContact CD2-CB 3.94Å; R142-L207 VanDerWaalsContact O-CA 3.26Å; R142-L207 WeakPolarHBondContact O-CA 3.49Å; P166-L207 HydrophobicContact CB-CD2 3.94Å; P166-L207 HydrophobicContact CB-CG 4.47Å; P166-L207 HydrophobicContact CG-CD2 4Å; P166-L207 HydrophobicContact CG-CG 4.43Å; I167-L207 HydrophobicContact CD1-CD1 4.01Å; I167-L207 HydrophobicContact CD1-CD2 3.48Å; I167-L207 VanDerWaalsContact CD1-CD2 3.48Å; I167-L207 HydrophobicContact CD1-CG 4.34Å; I167-L207 HydrophobicContact CG1-CD1 4.42Å; I167-L207 HydrophobicContact CG1-CD2 3.73Å; L188-L207 HydrophobicContact CD1-CD1 3.87Å; L190-L207 HydrophobicContact CD2-CD1 4.33Å; L207-L221 HydrophobicContact CB-CB 4.17Å; L207-L221 HydrophobicContact CD1-CD2 4.09Å; L207-L221 PolarHBondContact N-O 2.8Å; L207-L221 PolarHBondContact O-N 2.93Å
208S96.5Very high90.5Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-115.5131.2179.7-78.40000110.2L141 R142 E144 C210 R216L141-S208 WeakPolarHBondContact CA-O 3.23Å; R142-S208 PolarHBondContact N-O 3.26Å; R142-S208 PolarHBondContact O-N 3.32Å; E144-S208 PolarHBondContact OE2-OG 3.21Å; S208-C210 PolarHBondContact O-SG 2.86Å; S208-R216 VanDerWaalsContact OG-CD 3.25Å; S208-R216 WeakPolarHBondContact OG-CD 3.32Å
209F97.3Very high91.9Very high0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-72.7132.7167.7-61.1-91000109.3A107 I109 V127 W135 L141 I175 L186 R216 F217 E219A107-F209 HydrophobicContact CB-CD1 4.31Å; A107-F209 HydrophobicContact CB-CD2 3.77Å; A107-F209 HydrophobicContact CB-CE1 4.5Å; A107-F209 HydrophobicContact CB-CE2 3.99Å; A107-F209 HydrophobicContact CB-CG 3.96Å; A107-F209 HydrophobicContact CB-CZ 4.35Å; I109-F209 HydrophobicContact CD1-CE2 4.11Å; I109-F209 HydrophobicContact CG1-CE2 4.09Å; I109-F209 HydrophobicContact CG1-CZ 4.42Å; V127-F209 HydrophobicContact CG1-CE1 4.23Å; V127-F209 HydrophobicContact CG1-CZ 3.78Å; W135-F209 HydrophobicContact CH2-CD1 4.18Å; W135-F209 HydrophobicContact CH2-CE1 4.14Å; W135-F209 HydrophobicContact CZ3-CD1 4.22Å; W135-F209 HydrophobicContact CZ3-CE1 4.32Å; L141-F209 HydrophobicContact CD1-CE1 4.25Å; L141-F209 HydrophobicContact CD2-CD1 3.74Å; L141-F209 HydrophobicContact CD2-CD2 4.16Å; L141-F209 HydrophobicContact CD2-CE1 3.78Å; L141-F209 HydrophobicContact CD2-CE2 4.19Å; L141-F209 HydrophobicContact CD2-CG 3.92Å; L141-F209 HydrophobicContact CD2-CZ 4Å; L141-F209 HydrophobicContact CG-CD1 4.11Å; L141-F209 HydrophobicContact CG-CE1 4.13Å; I175-F209 HydrophobicContact CD1-CD1 3.78Å; I175-F209 HydrophobicContact CD1-CE1 3.92Å; L186-F209 HydrophobicContact CD1-CE1 4.17Å; F209-R216 CarbonylContact O-C 3.58Å; F209-R216 VanDerWaalsContact O-CA 3.26Å; F209-R216 WeakPolarHBondContact O-CA 3.2Å; F209-F217 HydrophobicContact CB-CD1 4.15Å; F209-F217 HydrophobicContact CB-CD2 4.38Å; F209-F217 HydrophobicContact CB-CE1 3.78Å; F209-F217 HydrophobicContact CB-CE2 4.03Å; F209-F217 HydrophobicContact CB-CG 4.46Å; F209-F217 HydrophobicContact CB-CZ 3.73Å; F209-F217 PolarHBondContact O-N 2.53Å; F209-E219 WeakPolarHBondContact CD2-O 3.15Å
210C97.4Very high93.2Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-133.4135.6-170.6-580000111.1T139 F140 R142 S208 D215T139-C210 WeakPolarHBondContact CA-O 3.4Å; F140-C210 HydrophobicContact CD1-CB 4.21Å; F140-C210 HydrophobicContact CD2-CB 4.02Å; F140-C210 HydrophobicContact CE1-CB 3.86Å; F140-C210 HydrophobicContact CE2-CB 3.65Å; F140-C210 HydrophobicContact CG-CB 4.29Å; F140-C210 HydrophobicContact CZ-CB 3.57Å; F140-C210 PolarHBondContact N-O 3.04Å; F140-C210 PolarHBondContact O-N 3.14Å; R142-C210 PolarHBondContact NH1-SG 3.48Å; S208-C210 PolarHBondContact O-SG 2.86Å; C210-D215 CarbonylContact C-O 3.59Å; C210-D215 VanDerWaalsContact CA-O 3.29Å; C210-D215 WeakPolarHBondContact CA-O 3.23Å
211L97.5Very high94.2Very high22 Ų2234.2 Ų34.212%0.11519%0.191CC..  trans-70.4165.1169.2-63.9179000110.6F105 P136 F140 N213 G214 D215 F217F105-L211 HydrophobicContact CB-CD2 4.07Å; F105-L211 HydrophobicContact CD1-CD2 4.22Å; F105-L211 HydrophobicContact CD2-CD1 3.7Å; F105-L211 HydrophobicContact CD2-CD2 3.72Å; F105-L211 HydrophobicContact CD2-CG 4.34Å; F105-L211 HydrophobicContact CE2-CD1 4.08Å; F105-L211 HydrophobicContact CE2-CD2 4.22Å; F105-L211 HydrophobicContact CG-CD1 4.47Å; F105-L211 HydrophobicContact CG-CD2 3.71Å; P136-L211 HydrophobicContact CG-CD2 3.82Å; F140-L211 VanDerWaalsContact CE1-O 3.28Å; F140-L211 WeakPolarHBondContact CE1-O 3.44Å; L211-N213 VanDerWaalsContact CB-OD1 3.24Å; L211-N213 WeakPolarHBondContact CB-OD1 3.47Å; L211-N213 PolarHBondContact O-N 3.39Å; L211-N213 VanDerWaalsContact O-N 3.11Å; L211-G214 WeakPolarHBondContact O-CA 3.28Å; L211-G214 PolarHBondContact O-N 2.81Å; L211-D215 HydrophobicContact CD1-CB 4.32Å; L211-D215 PolarHBondContact N-O 3.41Å; L211-F217 HydrophobicContact CD2-CD1 3.81Å; L211-F217 HydrophobicContact CD2-CE1 3.8Å; L211-F217 HydrophobicContact CG-CD1 3.82Å; L211-F217 HydrophobicContact CG-CE1 4.19Å
212P96.6Very high94.6Very high68 Ų6832.1 Ų32.144%0.44217%0.173SC..THydrogen-bonded Turntrans-57.7-28.4-179.4-2734.7000114.3P136 E137 G214P136-P212 HydrophobicContact CB-CG 4.35Å; P136-P212 HydrophobicContact CG-CG 4.04Å; E137-P212 WeakPolarHBondContact O-CG 3.24Å; P212-G214 PolarHBondContact O-N 3.31Å
213N95.6Very high94.6Very high110 Ų11030.5 Ų30.559%0.58816%0.163SC*.THydrogen-bonded Turntrans-78.3-6.717668.1-9.5000113.5L211 D215L211-N213 VanDerWaalsContact CB-OD1 3.24Å; L211-N213 WeakPolarHBondContact CB-OD1 3.47Å; L211-N213 PolarHBondContact O-N 3.39Å; L211-N213 VanDerWaalsContact O-N 3.11Å; N213-D215 PolarHBondContact ND2-OD2 2.69Å; N213-D215 WeakPolarHBondContact OD1-CB 3.42Å; N213-D215 PolarHBondContact OD1-N 2.87Å
214G94.6Very high94.6Very high23 Ų2331.2 Ų31.224%0.23717%0.167CC..SBendtrans95.1-4.3-178.600000114.8R142 L211 P212R142-G214 PolarHBondContact NH1-O 3.26Å; R142-G214 PolarHBondContact NH2-O 2.83Å; L211-G214 WeakPolarHBondContact O-CA 3.28Å; L211-G214 PolarHBondContact O-N 2.81Å; P212-G214 PolarHBondContact O-N 3.31Å
215D95.6Very high94.5Very high95 Ų9529.8 Ų29.851%0.50816%0.159SC..  trans-68.8134.9178.6-68.5-22.4000110.8C210 L211 N213C210-D215 CarbonylContact C-O 3.59Å; C210-D215 VanDerWaalsContact CA-O 3.29Å; C210-D215 WeakPolarHBondContact CA-O 3.23Å; L211-D215 HydrophobicContact CD1-CB 4.32Å; L211-D215 PolarHBondContact N-O 3.41Å; N213-D215 PolarHBondContact ND2-OD2 2.69Å; N213-D215 WeakPolarHBondContact OD1-CB 3.42Å; N213-D215 PolarHBondContact OD1-N 2.87Å
216R95.4Very high94.3Very high114 Ų11431.1 Ų31.143%0.4317%0.166SC..EExtended strand (participates in β ladder)trans-79.5144.8177.8179.9-17569.4-111.3-6.4111E144 V149 S208 F209E144-R216 IonicContact OE2-NH1 3.51Å; V149-R216 VanDerWaalsContact CG2-NH1 3.3Å; S208-R216 VanDerWaalsContact OG-CD 3.25Å; S208-R216 WeakPolarHBondContact OG-CD 3.32Å; F209-R216 CarbonylContact O-C 3.58Å; F209-R216 VanDerWaalsContact O-CA 3.26Å; F209-R216 WeakPolarHBondContact O-CA 3.2Å
217F95.5Very high93.9Very high17 Ų1731.9 Ų31.98%0.07517%0.171CC..EExtended strand (participates in β ladder)trans-141.1168.1168.970.5-83.9000111.6F105 A107 W135 T139 F209 L211F105-F217 HydrophobicContact CB-CB 4.26Å; F105-F217 HydrophobicContact CB-CD1 4.46Å; F105-F217 HydrophobicContact CB-CD2 3.84Å; F105-F217 HydrophobicContact CB-CE2 4.25Å; F105-F217 HydrophobicContact CB-CG 3.94Å; A107-F217 HydrophobicContact CB-CD2 4.34Å; A107-F217 HydrophobicContact CB-CE2 3.97Å; W135-F217 AromaticContact CD1-CE2 3.98Å; W135-F217 HydrophobicContact CD2-CE2 4.06Å; W135-F217 AromaticContact CD2-CZ 3.9Å; W135-F217 HydrophobicContact CD2-CZ 3.9Å; W135-F217 AromaticContact CE2-CE2 3.6Å; W135-F217 AromaticContact CE2-CZ 3.95Å; W135-F217 HydrophobicContact CE3-CZ 4.36Å; W135-F217 HydrophobicContact CG-CE2 4.32Å; W135-F217 HydrophobicContact CG-CZ 4.11Å; W135-F217 HydrophobicContact CZ2-CE2 4Å; W135-F217 HydrophobicContact CZ2-CZ 4.48Å; W135-F217 AromaticContact NE1-CE2 3.52Å; T139-F217 HydrophobicContact CG2-CE1 4.02Å; T139-F217 HydrophobicContact CG2-CZ 3.91Å; F209-F217 HydrophobicContact CB-CD1 4.15Å; F209-F217 HydrophobicContact CB-CD2 4.38Å; F209-F217 HydrophobicContact CB-CE1 3.78Å; F209-F217 HydrophobicContact CB-CE2 4.03Å; F209-F217 HydrophobicContact CB-CG 4.46Å; F209-F217 HydrophobicContact CB-CZ 3.73Å; F209-F217 PolarHBondContact O-N 2.53Å; L211-F217 HydrophobicContact CD2-CD1 3.81Å; L211-F217 HydrophobicContact CD2-CE1 3.8Å; L211-F217 HydrophobicContact CG-CD1 3.82Å; L211-F217 HydrophobicContact CG-CE1 4.19Å
218G94.3Very high93.5Very high15 Ų1532.2 Ų32.216%0.15517%0.173CC..EExtended strand (participates in β ladder)trans72-169.2175.400000115.9D106 A107D106-G218 VanDerWaalsContact OD1-CA 3.28Å; D106-G218 WeakPolarHBondContact OD1-CA 3.34Å; D106-G218 PolarHBondContact OD1-N 3.09Å; A107-G218 VanDerWaalsContact N-CA 3.34Å; A107-G218 WeakPolarHBondContact O-CA 3.33Å
219E93.9Very high92.9Very high86 Ų8636.5 Ų36.540%0.40220%0.195SC..EExtended strand (participates in β ladder)trans-72.2155.6174-69.3179.2171.800112.3A107 I109 F209A107-E219 PolarHBondContact O-N 3.39Å; I109-E219 HydrophobicContact CD1-CB 3.9Å; I109-E219 HydrophobicContact CG1-CB 4.19Å; I109-E219 PolarHBondContact N-OE2 2.86Å; F209-E219 WeakPolarHBondContact CD2-O 3.15Å
220I93.9Very high92.3Very high33 Ų3344.4 Ų44.417%0.16923%0.233CC..EExtended strand (participates in β ladder)trans-85.8126.7173.7-54.7-57000109.1V149 A206 Y222V149-I220 HydrophobicContact CG1-CD1 3.53Å; V149-I220 HydrophobicContact CG1-CG1 4.06Å; A206-I220 HydrophobicContact CB-CG2 3.75Å; I220-Y222 HydrophobicContact CB-CE2 4.02Å; I220-Y222 HydrophobicContact CG2-CD2 4.32Å; I220-Y222 HydrophobicContact CG2-CE1 4.12Å; I220-Y222 HydrophobicContact CG2-CE2 3.88Å
221L93.2Very high91.7Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-89.4108.2175.6172.960.2000110.1I109 V125 L188 A206 L207 R238I109-L221 VanDerWaalsContact CD1-CA 3.5Å; I109-L221 HydrophobicContact CD1-CB 3.59Å; I109-L221 HydrophobicContact CD1-CD1 4.1Å; I109-L221 HydrophobicContact CD1-CG 4.42Å; I109-L221 HydrophobicContact CG2-CD1 4.09Å; V125-L221 HydrophobicContact CG1-CD1 4.09Å; V125-L221 HydrophobicContact CG1-CD2 4.32Å; V125-L221 HydrophobicContact CG2-CD2 4.01Å; L188-L221 HydrophobicContact CD1-CD2 3.45Å; L188-L221 VanDerWaalsContact CD1-CD2 3.45Å; A206-L221 CarbonylContact C-O 3.54Å; A206-L221 WeakPolarHBondContact CA-O 3.35Å; L207-L221 HydrophobicContact CB-CB 4.17Å; L207-L221 HydrophobicContact CD1-CD2 4.09Å; L207-L221 PolarHBondContact N-O 2.8Å; L207-L221 PolarHBondContact O-N 2.93Å; L221-R238 HydrophobicContact CD1-CG 4.08Å
222Y92.8Very high91.1Very high26 Ų2654.2 Ų54.210%0.10228%0.279CS..EExtended strand (participates in β ladder)trans-84.1143.3172.7-65.9-79.5000111.6A150 R151 L152 V204 G205 A206 I220 G239 L241A150-Y222 HydrophobicContact CB-CE1 4.38Å; R151-Y222 PolarHBondContact N-OH 2.86Å; L152-Y222 HydrophobicContact CB-CD1 3.8Å; L152-Y222 HydrophobicContact CB-CE1 3.52Å; L152-Y222 HydrophobicContact CD1-CD1 4.32Å; L152-Y222 HydrophobicContact CD1-CD2 4.1Å; L152-Y222 HydrophobicContact CD1-CE1 4.24Å; L152-Y222 HydrophobicContact CD1-CE2 4Å; L152-Y222 HydrophobicContact CD1-CG 4.25Å; L152-Y222 HydrophobicContact CG-CD1 4.46Å; L152-Y222 HydrophobicContact CG-CE1 4.02Å; L152-Y222 HydrophobicContact CG-CE2 4.42Å; V204-Y222 HydrophobicContact CG1-CD1 4.06Å; G205-Y222 WeakPolarHBondContact O-CA 3.35Å; A206-Y222 HydrophobicContact CB-CD1 3.75Å; A206-Y222 HydrophobicContact CB-CE1 3.72Å; I220-Y222 HydrophobicContact CB-CE2 4.02Å; I220-Y222 HydrophobicContact CG2-CD2 4.32Å; I220-Y222 HydrophobicContact CG2-CE1 4.12Å; I220-Y222 HydrophobicContact CG2-CE2 3.88Å; Y222-G239 PolarHBondContact O-N 3.49Å; Y222-L241 HydrophobicContact CE2-CD1 4.46Å
223C90.5Very high90.7Very high0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-129.9142.6174.7-56.80000108.8I123 W164 P166 L190 V204 G205 Q237I123-C223 HydrophobicContact CD1-CB 4.06Å; W164-C223 HydrophobicContact CH2-CB 4.08Å; W164-C223 HydrophobicContact CZ3-CB 4.19Å; W164-C223 WeakPolarHBondContact CZ3-O 3.44Å; P166-C223 HydrophobicContact CG-CB 4.49Å; L190-C223 HydrophobicContact CD1-CB 4Å; V204-C223 CarbonylContact C-O 3.51Å; V204-C223 WeakPolarHBondContact CA-O 3.11Å; G205-C223 PolarHBondContact N-O 2.76Å; G205-C223 PolarHBondContact O-N 2.83Å; G205-C223 VanDerWaalsContact O-O 3.12Å; C223-Q237 CarbonylContact C-O 3.49Å; C223-Q237 WeakPolarHBondContact CA-O 3.49Å
224T90.1Very high90.3Very high16 Ų1648.6 Ų48.610%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-117.9124.4176.7-520000109P202 V203 V204 V226 Y236 Q237P202-T224 HydrophobicContact CB-CG2 3.72Å; V203-T224 CarbonylContact O-C 3.59Å; V203-T224 WeakPolarHBondContact O-CA 3.28Å; V204-T224 HydrophobicContact CG2-CG2 4.27Å; T224-V226 HydrophobicContact CG2-CG2 4.04Å; T224-Y236 WeakPolarHBondContact O-CA 3.44Å; T224-Q237 PolarHBondContact N-O 3.26Å; T224-Q237 PolarHBondContact O-N 3.02Å
225A89.9Confident89.9Confident0 Ų051.4 Ų51.40%025%0.25CC..EExtended strand (participates in β ladder)trans-93.7118167.300000108.8W164 P193 P202 V203 W234 R235 Y236W164-A225 HydrophobicContact CD2-CB 4.32Å; W164-A225 HydrophobicContact CE3-CB 3.92Å; W164-A225 HydrophobicContact CH2-CB 3.71Å; W164-A225 HydrophobicContact CZ2-CB 4.09Å; W164-A225 HydrophobicContact CZ3-CB 3.6Å; P193-A225 HydrophobicContact CG-CB 3.57Å; P202-A225 CarbonylContact C-O 3.59Å; P202-A225 VanDerWaalsContact CA-O 3.28Å; P202-A225 WeakPolarHBondContact CA-O 3.3Å; V203-A225 PolarHBondContact N-O 3.03Å; V203-A225 PolarHBondContact O-N 2.88Å; A225-W234 HydrophobicContact CB-CD2 4.45Å; A225-W234 HydrophobicContact CB-CE3 3.79Å; A225-W234 HydrophobicContact CB-CZ3 4.34Å; A225-R235 CarbonylContact C-O 3.6Å; A225-R235 WeakPolarHBondContact CA-O 3.44Å; A225-Y236 HydrophobicContact CB-CD1 3.99Å; A225-Y236 HydrophobicContact CB-CE1 3.99Å
226V88.2Confident89.6Confident27 Ų2747.5 Ų47.516%0.16423%0.228CC..EExtended strand (participates in β ladder)trans-105.6127.4178.2-176.80000108.4P202 T224 D228 R235P202-V226 HydrophobicContact CB-CG2 4.27Å; P202-V226 HydrophobicContact CG-CG2 4.43Å; T224-V226 HydrophobicContact CG2-CG2 4.04Å; V226-D228 PolarHBondContact O-N 2.9Å; V226-R235 PolarHBondContact N-O 2.9Å; V226-R235 PolarHBondContact O-N 3.43Å
227P88Confident89.1Confident17 Ų1744.8 Ų44.811%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-66.2131.6177.727.2-33.4000110.7Y199 W234Y199-P227 WeakPolarHBondContact O-CG 3.28Å; P227-W234 HydrophobicContact CB-CE3 4.25Å; P227-W234 HydrophobicContact CB-CH2 4.33Å; P227-W234 HydrophobicContact CB-CZ3 3.94Å; P227-W234 HydrophobicContact CG-CZ3 4.32Å
228D85.9Confident88.6Confident7 Ų746 Ų464%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-111.796.7171-171.3-30.2000109.2V226 E230 H231 M232 T233 R235V226-D228 PolarHBondContact O-N 2.9Å; D228-E230 VanDerWaalsContact C-N 3.32Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.9Å; D228-E230 VanDerWaalsContact OD1-N 3.1Å; D228-H231 IonicContact OD1-CG 3.24Å; D228-H231 PolarHBondContact OD1-N 2.86Å; D228-H231 IonicContact OD1-ND1 3.9Å; D228-H231 PolarHBondContact OD1-ND1 3.06Å; D228-H231 IonicContact OD2-CE1 3.12Å; D228-H231 IonicContact OD2-CG 2.59Å; D228-H231 IonicContact OD2-ND1 3.6Å; D228-H231 PolarHBondContact OD2-ND1 2.66Å; D228-M232 WeakPolarHBondContact O-CA 3.46Å; D228-M232 PolarHBondContact O-N 3.38Å; D228-T233 WeakPolarHBondContact CA-O 2.97Å; D228-T233 HydrophobicContact CB-CG2 4.08Å; D228-T233 WeakPolarHBondContact CB-O 3.15Å; D228-T233 PolarHBondContact N-O 2.81Å; D228-T233 PolarHBondContact O-N 3.12Å; D228-R235 HydrophobicContact CB-CG 4.35Å; D228-R235 IonicContact OD2-CZ 3.44Å; D228-R235 IonicContact OD2-NE 2.75Å; D228-R235 PolarHBondContact OD2-NE 2.77Å; D228-R235 IonicContact OD2-NH2 3.24Å; D228-R235 PolarHBondContact OD2-NH2 2.82Å
229L84.4Confident87.7Confident90 Ų9046 Ų4647%0.47122%0.224SC..THydrogen-bonded Turntrans-74.8-21-177.2-57.6-179.4000113.3L197 Q200L197-L229 WeakPolarHBondContact O-CD2 3.43Å; Q200-L229 HydrophobicContact CG-CD1 4.5Å
230E85.2Confident86.3Confident167 Ų16746.2 Ų46.278%0.7823%0.227SC*.THydrogen-bonded Turntrans-71.6-46.6177.4-178.1179.1-176.100109.8D228D228-E230 VanDerWaalsContact C-N 3.32Å; D228-E230 WeakPolarHBondContact OD1-CB 3.49Å; D228-E230 PolarHBondContact OD1-N 2.9Å; D228-E230 VanDerWaalsContact OD1-N 3.1Å
231H83.9Confident84.4Confident97 Ų9749.1 Ų49.145%0.44924%0.242SC..THydrogen-bonded Turntrans-91.7-0.8-179.9-59.294.2000113.4D228 T233D228-H231 IonicContact OD1-CG 3.24Å; D228-H231 PolarHBondContact OD1-N 2.86Å; D228-H231 IonicContact OD1-ND1 3.9Å; D228-H231 PolarHBondContact OD1-ND1 3.06Å; D228-H231 IonicContact OD2-CE1 3.12Å; D228-H231 IonicContact OD2-CG 2.59Å; D228-H231 IonicContact OD2-ND1 3.6Å; D228-H231 PolarHBondContact OD2-ND1 2.66Å; H231-T233 VanDerWaalsContact C-N 3.27Å; H231-T233 HydrophobicContact CB-CG2 3.73Å; H231-T233 PolarHBondContact O-N 2.85Å
232M85.9Confident82.1Confident131 Ų13152.1 Ų52.165%0.64527%0.267SS*.THydrogen-bonded Turntrans50.547-175.5-64.9-71.6-78.600112.1L197 D228L197-M232 HydrophobicContact CD1-CB 4.35Å; L197-M232 VanDerWaalsContact CD1-O 3.27Å; L197-M232 WeakPolarHBondContact CD1-O 3.43Å; D228-M232 WeakPolarHBondContact O-CA 3.46Å; D228-M232 PolarHBondContact O-N 3.38Å
233T87.5Confident79.6Confident48 Ų4855.9 Ų55.929%0.29430%0.297SS..EExtended strand (participates in β ladder)trans-144.6-177.4-176.1-1660000111.3L197 D228 H231L197-T233 WeakPolarHBondContact CD2-O 3.4Å; D228-T233 WeakPolarHBondContact CA-O 2.97Å; D228-T233 HydrophobicContact CB-CG2 4.08Å; D228-T233 WeakPolarHBondContact CB-O 3.15Å; D228-T233 PolarHBondContact N-O 2.81Å; D228-T233 PolarHBondContact O-N 3.12Å; H231-T233 VanDerWaalsContact C-N 3.27Å; H231-T233 HydrophobicContact CB-CG2 3.73Å; H231-T233 PolarHBondContact O-N 2.85Å
234W87Confident77Confident12 Ų1260.6 Ų60.65%0.04533%0.326CS..EExtended strand (participates in β ladder)trans-107.2138171.6-6491.1000110P192 P193 L195 L197 A225 P227 Y236P192-W234 HydrophobicContact CB-CG 4.48Å; P193-W234 HydrophobicContact CB-CH2 4.27Å; P193-W234 HydrophobicContact CB-CZ2 4.03Å; P193-W234 HydrophobicContact CG-CD2 3.93Å; P193-W234 HydrophobicContact CG-CE3 3.98Å; P193-W234 HydrophobicContact CG-CH2 4.11Å; P193-W234 HydrophobicContact CG-CZ2 4.06Å; P193-W234 HydrophobicContact CG-CZ3 4.06Å; L195-W234 HydrophobicContact CB-CZ2 4.38Å; L197-W234 HydrophobicContact CD2-CD2 4.23Å; L197-W234 HydrophobicContact CD2-CG 4.37Å; L197-W234 HydrophobicContact CD2-CZ2 4.16Å; A225-W234 HydrophobicContact CB-CD2 4.45Å; A225-W234 HydrophobicContact CB-CE3 3.79Å; A225-W234 HydrophobicContact CB-CZ3 4.34Å; P227-W234 HydrophobicContact CB-CE3 4.25Å; P227-W234 HydrophobicContact CB-CH2 4.33Å; P227-W234 HydrophobicContact CB-CZ3 3.94Å; P227-W234 HydrophobicContact CG-CZ3 4.32Å; W234-Y236 HydrophobicContact CB-CE1 4.08Å; W234-Y236 HydrophobicContact CB-CE2 3.84Å; W234-Y236 VanDerWaalsContact O-CE2 3.28Å; W234-Y236 WeakPolarHBondContact O-CE2 3.45Å
235R87.2Confident74.3Confident82 Ų8262.7 Ų62.731%0.30934%0.339SS..EExtended strand (participates in β ladder)trans-100.1138.8165.8-83.8-173.2-90.3112.8-2.8109.1P117 A225 V226 D228P117-R235 HydrophobicContact CB-CB 4.33Å; P117-R235 HydrophobicContact CB-CG 4.35Å; A225-R235 CarbonylContact C-O 3.6Å; A225-R235 WeakPolarHBondContact CA-O 3.44Å; V226-R235 PolarHBondContact N-O 2.9Å; V226-R235 PolarHBondContact O-N 3.43Å; D228-R235 HydrophobicContact CB-CG 4.35Å; D228-R235 IonicContact OD2-CZ 3.44Å; D228-R235 IonicContact OD2-NE 2.75Å; D228-R235 PolarHBondContact OD2-NE 2.77Å; D228-R235 IonicContact OD2-NH2 3.24Å; D228-R235 PolarHBondContact OD2-NH2 2.82Å
236Y88.1Confident71.5Confident12 Ų1267.9 Ų67.95%0.04738%0.375CS..EExtended strand (participates in β ladder)trans-117.6139.7-174.5-54.4-90.4000109.9G120 W164 L190 P192 T224 A225 W234G120-Y236 WeakPolarHBondContact O-CD2 3.36Å; W164-Y236 AromaticContact CH2-CD1 3.75Å; W164-Y236 HydrophobicContact CH2-CD1 3.75Å; W164-Y236 HydrophobicContact CH2-CE1 4.05Å; W164-Y236 AromaticContact CZ2-CD1 3.82Å; W164-Y236 HydrophobicContact CZ2-CD1 3.82Å; W164-Y236 AromaticContact CZ2-CE1 3.65Å; W164-Y236 HydrophobicContact CZ2-CE1 3.65Å; L190-Y236 HydrophobicContact CB-CD1 4.29Å; L190-Y236 HydrophobicContact CB-CE1 4.33Å; L190-Y236 HydrophobicContact CD1-CD1 4.09Å; L190-Y236 HydrophobicContact CD1-CG 4.47Å; P192-Y236 WeakPolarHBondContact CA-OH 3.27Å; P192-Y236 WeakPolarHBondContact CB-OH 3.32Å; T224-Y236 WeakPolarHBondContact O-CA 3.44Å; A225-Y236 HydrophobicContact CB-CD1 3.99Å; A225-Y236 HydrophobicContact CB-CE1 3.99Å; W234-Y236 HydrophobicContact CB-CE1 4.08Å; W234-Y236 HydrophobicContact CB-CE2 3.84Å; W234-Y236 VanDerWaalsContact O-CE2 3.28Å; W234-Y236 WeakPolarHBondContact O-CE2 3.45Å
237Q86.7Confident68.7Low58 Ų5871.6 Ų71.627%0.27141%0.408SS..EExtended strand (participates in β ladder)trans-146.1158.7177.163.6-175.434.600109.8C223 T224C223-Q237 CarbonylContact C-O 3.49Å; C223-Q237 WeakPolarHBondContact CA-O 3.49Å; T224-Q237 PolarHBondContact N-O 3.26Å; T224-Q237 PolarHBondContact O-N 3.02Å
238R85.2Confident65.8Low43 Ų4372.9 Ų72.916%0.16243%0.425CS..EExtended strand (participates in β ladder)trans-65.3141.1170.8-176.7-165.8163.1175.36.1109.6I109 W110 P111 L221I109-R238 VanDerWaalsContact CG2-CZ 3.5Å; I109-R238 PolarHBondContact O-NH2 2.8Å; W110-R238 PolarHBondContact O-NH1 3.39Å; P111-R238 VanDerWaalsContact CA-NH1 3.27Å; L221-R238 HydrophobicContact CD1-CG 4.08Å
239G75Confident63.2Low14 Ų1484 Ų8414%0.14447%0.466CS..  trans-75128.5167.900000111.1Y222Y222-G239 PolarHBondContact O-N 3.49Å
240I63.9Low60.5Low91 Ų9187.5 Ų87.547%0.46749%0.485SS..  trans-105.6128.6176.6-54.6173.1000107.9A242 T244 V245I240-A242 PolarHBondContact O-N 2.93Å; I240-T244 WeakPolarHBondContact CG2-OG1 3.21Å; I240-V245 HydrophobicContact CB-CG2 4.38Å; I240-V245 HydrophobicContact CG2-CG2 3.64Å
241L53.5Low57.9Low94 Ų9483.2 Ų83.249%0.49247%0.474SS..  trans-67.3129.8172.2-110.296.3000109.3L152 Y222 S243 T244L152-L241 HydrophobicContact CD1-CD1 4.16Å; L152-L241 HydrophobicContact CD1-CG 4.47Å; Y222-L241 HydrophobicContact CE2-CD1 4.46Å; L241-S243 PolarHBondContact O-N 3.13Å; L241-T244 PolarHBondContact O-N 3.34Å; L241-T244 PolarHBondContact O-OG1 2.98Å
242A45.3Very low55.5Low63 Ų6383.2 Ų83.252%0.52148%0.483SS..G310 helixtrans-52.5-29.9-176.300000114I240 T244 V245I240-A242 PolarHBondContact O-N 2.93Å; A242-T244 PolarHBondContact O-N 3.03Å; A242-T244 VanDerWaalsContact O-N 3.14Å; A242-V245 PolarHBondContact O-N 3.03Å
243S39.6Very low53.1Low105 Ų10583.5 Ų83.573%0.73448%0.484SS*.G310 helixtrans-62.9-16.917756.70000114.7L241L241-S243 PolarHBondContact O-N 3.13Å
244T35.8Very low50.4Low99 Ų9986.4 Ų86.461%0.60750%0.502SS*.G310 helixtrans-101.1-9.1178.852.60000114I240 L241 A242 S246I240-T244 WeakPolarHBondContact CG2-OG1 3.21Å; L241-T244 PolarHBondContact O-N 3.34Å; L241-T244 PolarHBondContact O-OG1 2.98Å; A242-T244 PolarHBondContact O-N 3.03Å; A242-T244 VanDerWaalsContact O-N 3.14Å; T244-S246 PolarHBondContact O-N 3.17Å
245V33.3Very low48Very low60 Ų6093 Ų9336%0.36454%0.537SS..  trans-84.288.1177.9-173.30000108.5I240 A242 A247I240-V245 HydrophobicContact CB-CG2 4.38Å; I240-V245 HydrophobicContact CG2-CG2 3.64Å; A242-V245 PolarHBondContact O-N 3.03Å; V245-A247 PolarHBondContact O-N 3.24Å
246S31.9Very low45.2Very low109 Ų10997 Ų9776%0.76256%0.559SS**  trans-51.8117.315954.10000107.3T244 G248T244-S246 PolarHBondContact O-N 3.17Å; S246-G248 VanDerWaalsContact C-N 3.29Å; S246-G248 PolarHBondContact O-N 2.75Å
247A28.4Very low42.6Very low104 Ų104104.5 Ų104.586%0.8660%0.6SS**  trans-47.182.5-167.500000114.2V245V245-A247 PolarHBondContact O-N 3.24Å
248G28.3Very low40.1Very low44 Ų44111.8 Ų111.845%0.45465%0.648SS.*  trans-88.2111.7171.200000108.1S246 N250S246-G248 VanDerWaalsContact C-N 3.29Å; S246-G248 PolarHBondContact O-N 2.75Å; G248-N250 PolarHBondContact O-N 3.1Å; G248-N250 VanDerWaalsContact O-N 3.13Å
249R30.6Very low37.9Very low240 Ų240115.3 Ų115.391%0.90667%0.672SS**THydrogen-bonded Turntrans-50119.4174.1-72.4178.8171.7-179.9-3109
250N27.9Very low35.9Very low164 Ų164120.6 Ų120.688%0.87770%0.7SS**THydrogen-bonded Turntrans97.639176.8-51.3-23.8000117.7G248G248-N250 PolarHBondContact O-N 3.1Å; G248-N250 VanDerWaalsContact O-N 3.13Å
251S30.4Very low34.3Very low78 Ų78122.2 Ų122.255%0.54571%0.713SS.*  trans-96.8133.1162.3-620000111.4M253S251-M253 PolarHBondContact O-N 3.21Å
252P34.9Very low33.2Very low97 Ų97123.9 Ų123.963%0.6373%0.726SS**SBendtrans-71127.8177.726.5-30.5000112.1
253M34.2Very low32.5Very low137 Ų137127.7 Ų127.768%0.67574%0.739SS**  trans52.393.1165.7-110.5177.4-67.900118.6P202 S251P202-M253 HydrophobicContact CG-CE 3.88Å; S251-M253 PolarHBondContact O-N 3.21Å
254V31.1Very low32Very low109 Ų109129.2 Ų129.266%0.66174%0.739SS**  trans-62122152.5-177.10000108.4E256V254-E256 HydrophobicContact CG1-CG 3.91Å
255L36Very low31.7Very low150 Ų150131.4 Ų131.479%0.78575%0.749SS**  trans-102.6105.7160.3-14781.4000105.9
256E29Very low31.6Very low167 Ų167136.8 Ų136.878%0.7878%0.778SS**  trans-68134.8175.7-70.3-176.7127.900109.5V254 V258V254-E256 HydrophobicContact CG1-CG 3.91Å; E256-V258 PolarHBondContact O-N 3.18Å
257D33.1Very low31.6Very low169 Ų169139.2 Ų139.290%0.90478%0.78SS**  trans-56.3127.3170.8-79.5-58.3000109.9
258V35Very low31.9Very low211 Ų211142.4 Ų142.4100%1.27977%0.772SS**  trans-107.60162.4-179.30000108.5E256E256-V258 PolarHBondContact O-N 3.18Å

Retrieved 258 of 258 residues in 97.7 ms (Link to these results)

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