A0A077ZPE6_TRITR Loading...

Serine protease inhibitor family protein

AlphaFold DB , UniProt , Accession A0A077ZPE6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M39.5Very low44.2Very low243 Ų243109.5 Ų109.5100%1.19757%0.572SS**  0119.80-86.9170.8172.200107.6
2A45Very low44.8Very low77 Ų77110.5 Ų110.564%0.63657%0.572SS**  trans-71.8139.9166.800000108.4P4A2-P4 WeakPolarHBondContact O-CD 3.47Å
3D43.5Very low45.2Very low85 Ų85115.9 Ų115.946%0.45558%0.581SS.*  trans-71117.8-175.6174.27.9000110.9F5 R6D3-F5 PolarHBondContact O-N 3.16Å; D3-F5 WeakPolarHBondContact OD1-CB 3.5Å; D3-F5 WeakPolarHBondContact OD1-CD2 3.23Å; D3-F5 PolarHBondContact OD1-N 2.82Å; D3-R6 HydrophobicContact CB-CB 4.26Å; D3-R6 WeakPolarHBondContact O-CB 3.32Å; D3-R6 PolarHBondContact O-N 2.77Å
4P42.1Very low45.7Very low82 Ų82109.4 Ų109.453%0.53255%0.547SS..Hα-helixtrans-60.3-25.4-17922.3-31.3000113.4A2 E7 I8A2-P4 WeakPolarHBondContact O-CD 3.47Å; P4-E7 PolarHBondContact O-N 3.13Å; P4-I8 PolarHBondContact O-N 2.7Å; P4-I8 VanDerWaalsContact O-N 3.13Å
5F35.9Very low46.1Very low157 Ų157111.7 Ų111.769%0.68955%0.547SS*.Hα-helixtrans-70.3-33.9176.4-67-77000112.3D3 E7 A9D3-F5 PolarHBondContact O-N 3.16Å; D3-F5 WeakPolarHBondContact OD1-CB 3.5Å; D3-F5 WeakPolarHBondContact OD1-CD2 3.23Å; D3-F5 PolarHBondContact OD1-N 2.82Å; F5-E7 PolarHBondContact O-N 2.92Å; F5-A9 WeakPolarHBondContact O-CB 3.49Å; F5-A9 PolarHBondContact O-N 3.28Å
6R40.6Very low46.5Very low186 Ų186108.4 Ų108.470%0.70254%0.539SS*.Hα-helixtrans-66.1-30175.2-157.6177.7-174.4-174.12.5111.5D3 I10D3-R6 HydrophobicContact CB-CB 4.26Å; D3-R6 WeakPolarHBondContact O-CB 3.32Å; D3-R6 PolarHBondContact O-N 2.77Å; R6-I10 WeakPolarHBondContact O-CG1 3.19Å; R6-I10 PolarHBondContact O-N 2.73Å; R6-I10 VanDerWaalsContact O-N 3.16Å
7E48.4Very low46.8Very low93 Ų93107.5 Ų107.544%0.43553%0.532SS..Hα-helixtrans-82.9-40.7-177.9-64.9-172.4169.400113.2P4 F5 A9 I10 S11P4-E7 PolarHBondContact O-N 3.13Å; F5-E7 PolarHBondContact O-N 2.92Å; E7-A9 PolarHBondContact O-N 3.16Å; E7-I10 PolarHBondContact O-N 3.01Å; E7-I10 VanDerWaalsContact O-N 3.12Å; E7-S11 PolarHBondContact O-N 3.49Å
8I46.2Very low46.9Very low90 Ų90103.7 Ų103.746%0.46251%0.513SS..Hα-helixtrans-55-45.6168.5-66.7171000108.8P4 I10 S11 E12P4-I8 PolarHBondContact O-N 2.7Å; P4-I8 VanDerWaalsContact O-N 3.13Å; I8-I10 PolarHBondContact O-N 2.96Å; I8-S11 PolarHBondContact O-N 3.03Å; I8-S11 PolarHBondContact O-OG 3.4Å; I8-E12 HydrophobicContact CG2-CG 4.21Å; I8-E12 WeakPolarHBondContact O-CB 3.35Å; I8-E12 WeakPolarHBondContact O-CG 3.2Å; I8-E12 PolarHBondContact O-N 3.29Å
9A40.8Very low47Very low48 Ų48108.8 Ų108.840%0.39753%0.526SS..Hα-helixtrans-61.7-36.2177.500000113.7F5 E7 R13F5-A9 WeakPolarHBondContact O-CB 3.49Å; F5-A9 PolarHBondContact O-N 3.28Å; E7-A9 PolarHBondContact O-N 3.16Å; A9-R13 VanDerWaalsContact O-CB 3.25Å; A9-R13 WeakPolarHBondContact O-CB 3.46Å; A9-R13 PolarHBondContact O-N 2.82Å
10I50.8Low47Very low111 Ų111108.5 Ų108.557%0.56954%0.535SS*.Hα-helixtrans-68.8-43.2174.2-69.5165000110.7R6 E7 I8 R13 F14R6-I10 WeakPolarHBondContact O-CG1 3.19Å; R6-I10 PolarHBondContact O-N 2.73Å; R6-I10 VanDerWaalsContact O-N 3.16Å; E7-I10 PolarHBondContact O-N 3.01Å; E7-I10 VanDerWaalsContact O-N 3.12Å; I8-I10 PolarHBondContact O-N 2.96Å; I10-R13 PolarHBondContact O-N 2.92Å; I10-F14 WeakPolarHBondContact O-CB 3.44Å; I10-F14 PolarHBondContact O-N 2.89Å
11S53.2Low46.9Very low32 Ų32106.1 Ų106.122%0.22452%0.524CS..Hα-helixtrans-64.4-40.417882.90000112E7 I8 F14 R15E7-S11 PolarHBondContact O-N 3.49Å; I8-S11 PolarHBondContact O-N 3.03Å; I8-S11 PolarHBondContact O-OG 3.4Å; S11-F14 PolarHBondContact O-N 2.8Å; S11-R15 WeakPolarHBondContact O-CB 3.04Å; S11-R15 WeakPolarHBondContact O-CG 3.47Å; S11-R15 PolarHBondContact O-N 2.93Å
12E52.1Low46.8Very low122 Ų12296.2 Ų96.257%0.5749%0.485SS*.Hα-helixtrans-71.5-36.6175.2-73.3-175.3164.400111.7I8 F14 S16I8-E12 HydrophobicContact CG2-CG 4.21Å; I8-E12 WeakPolarHBondContact O-CB 3.35Å; I8-E12 WeakPolarHBondContact O-CG 3.2Å; I8-E12 PolarHBondContact O-N 3.29Å; E12-F14 VanDerWaalsContact C-N 3.34Å; E12-S16 WeakPolarHBondContact O-CA 3.46Å; E12-S16 WeakPolarHBondContact O-CB 3.49Å; E12-S16 PolarHBondContact O-N 2.75Å; E12-S16 PolarHBondContact O-OG 2.85Å
13R49.6Very low46.6Very low181 Ų18196 Ų9668%0.68349%0.489SS*.Hα-helixtrans-62-41.7169.7-108.4-179.1168.7179.6-1.5111.8A9 I10 S16 Q17A9-R13 VanDerWaalsContact O-CB 3.25Å; A9-R13 WeakPolarHBondContact O-CB 3.46Å; A9-R13 PolarHBondContact O-N 2.82Å; I10-R13 PolarHBondContact O-N 2.92Å; R13-S16 VanDerWaalsContact CA-OG 3.27Å; R13-S16 WeakPolarHBondContact CA-OG 3.41Å; R13-S16 PolarHBondContact O-OG 2.78Å; R13-Q17 VanDerWaalsContact O-CB 3.31Å; R13-Q17 WeakPolarHBondContact O-CB 2.88Å; R13-Q17 VanDerWaalsContact O-CG 3.29Å; R13-Q17 WeakPolarHBondContact O-CG 3.31Å; R13-Q17 PolarHBondContact O-N 2.92Å
14F52Low46.7Very low25 Ų25101.5 Ų101.511%0.1151%0.509CS..Hα-helixtrans-67.9-46.4178.5-175.2-99.3000111.1I10 S11 E12 S16 Q17 Q18 L29 S97 N388I10-F14 WeakPolarHBondContact O-CB 3.44Å; I10-F14 PolarHBondContact O-N 2.89Å; S11-F14 PolarHBondContact O-N 2.8Å; E12-F14 VanDerWaalsContact C-N 3.34Å; F14-S16 PolarHBondContact O-N 3.3Å; F14-Q17 PolarHBondContact O-N 2.82Å; F14-Q18 HydrophobicContact CD1-CG 4.41Å; F14-Q18 HydrophobicContact CE1-CG 4.14Å; F14-Q18 HydrophobicContact CZ-CG 4.46Å; F14-Q18 WeakPolarHBondContact O-CG 3.39Å; F14-Q18 PolarHBondContact O-N 2.9Å; F14-L29 HydrophobicContact CE2-CD2 4.15Å; F14-L29 HydrophobicContact CZ-CD2 3.64Å; F14-S97 WeakPolarHBondContact CD2-OG 3.42Å; F14-S97 VanDerWaalsContact CE2-OG 3.25Å; F14-S97 WeakPolarHBondContact CE2-OG 3.47Å; F14-N388 HydrophobicContact CD1-CB 4.02Å; F14-N388 HydrophobicContact CE1-CB 3.31Å; F14-N388 HydrophobicContact CE2-CB 4.35Å; F14-N388 HydrophobicContact CZ-CB 3.51Å
15R52.3Low46.9Very low143 Ų14399.3 Ų99.354%0.5449%0.493SS..Hα-helixtrans-64-38.3174.7-73.4178.3178.3-173.6-1.1112.5S11 Q18 R19S11-R15 WeakPolarHBondContact O-CB 3.04Å; S11-R15 WeakPolarHBondContact O-CG 3.47Å; S11-R15 PolarHBondContact O-N 2.93Å; R15-Q18 PolarHBondContact O-N 2.64Å; R15-R19 WeakPolarHBondContact O-CB 3.33Å; R15-R19 WeakPolarHBondContact O-CG 3.31Å; R15-R19 PolarHBondContact O-N 2.84Å
16S52.3Low47.9Very low60 Ų60100.5 Ų100.542%0.4250%0.498SS..Hα-helixtrans-71.9-35.4176.361.60000112E12 R13 F14 R19 S20E12-S16 WeakPolarHBondContact O-CA 3.46Å; E12-S16 WeakPolarHBondContact O-CB 3.49Å; E12-S16 PolarHBondContact O-N 2.75Å; E12-S16 PolarHBondContact O-OG 2.85Å; R13-S16 VanDerWaalsContact CA-OG 3.27Å; R13-S16 WeakPolarHBondContact CA-OG 3.41Å; R13-S16 PolarHBondContact O-OG 2.78Å; F14-S16 PolarHBondContact O-N 3.3Å; S16-R19 PolarHBondContact O-N 3.2Å; S16-S20 WeakPolarHBondContact O-CB 3.07Å; S16-S20 PolarHBondContact O-N 3.24Å
17Q52.1Low49Very low92 Ų9295.3 Ų95.343%0.4348%0.482SS..Hα-helixtrans-62.8-44.8167.5-78.9-179.15.200110.9R13 F14 R19 S20 I21R13-Q17 VanDerWaalsContact O-CB 3.31Å; R13-Q17 WeakPolarHBondContact O-CB 2.88Å; R13-Q17 VanDerWaalsContact O-CG 3.29Å; R13-Q17 WeakPolarHBondContact O-CG 3.31Å; R13-Q17 PolarHBondContact O-N 2.92Å; F14-Q17 PolarHBondContact O-N 2.82Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 2.72Å; Q17-S20 PolarHBondContact O-N 3.44Å; Q17-I21 WeakPolarHBondContact O-CB 3.44Å; Q17-I21 WeakPolarHBondContact O-CD1 3.36Å; Q17-I21 WeakPolarHBondContact O-CG1 3.41Å; Q17-I21 PolarHBondContact O-N 3Å
18Q47.4Very low50.6Low39 Ų3992.8 Ų92.818%0.18248%0.475CS..Hα-helixtrans-60.7-39.6174.3-75.3-169.6-13.900112.5F14 R15 G22F14-Q18 HydrophobicContact CD1-CG 4.41Å; F14-Q18 HydrophobicContact CE1-CG 4.14Å; F14-Q18 HydrophobicContact CZ-CG 4.46Å; F14-Q18 WeakPolarHBondContact O-CG 3.39Å; F14-Q18 PolarHBondContact O-N 2.9Å; R15-Q18 PolarHBondContact O-N 2.64Å; Q18-G22 VanDerWaalsContact O-CA 3.25Å; Q18-G22 WeakPolarHBondContact O-CA 3.44Å; Q18-G22 PolarHBondContact O-N 3.24Å
19R49.6Very low52.2Low202 Ų20288.8 Ų88.876%0.76246%0.455SS*.Hα-helixtrans-70.9-40.4175.8-74.6177.6-179.8-1760.3112.8R15 S16 Q17 G22 G23R15-R19 WeakPolarHBondContact O-CB 3.33Å; R15-R19 WeakPolarHBondContact O-CG 3.31Å; R15-R19 PolarHBondContact O-N 2.84Å; S16-R19 PolarHBondContact O-N 3.2Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 2.72Å; R19-G22 WeakPolarHBondContact O-CA 3.39Å; R19-G22 PolarHBondContact O-N 2.72Å; R19-G22 VanDerWaalsContact O-N 3.1Å; R19-G23 PolarHBondContact O-N 2.88Å
20S46.5Very low54.4Low102 Ų10286.6 Ų86.671%0.71344%0.436SS*.Hα-helixtrans-63.8-40.4176.2168.70000111.6S16 Q17 G22S16-S20 WeakPolarHBondContact O-CB 3.07Å; S16-S20 PolarHBondContact O-N 3.24Å; Q17-S20 PolarHBondContact O-N 3.44Å; S20-G22 VanDerWaalsContact C-N 3.35Å
21I45.5Very low56.4Low58 Ų5882.1 Ų82.130%0.29741%0.414SS..Hα-helixtrans-73.9-33.1171.9-56.3165000109.7Q17 G23 K24 L25 Q90Q17-I21 WeakPolarHBondContact O-CB 3.44Å; Q17-I21 WeakPolarHBondContact O-CD1 3.36Å; Q17-I21 WeakPolarHBondContact O-CG1 3.41Å; Q17-I21 PolarHBondContact O-N 3Å; I21-G23 VanDerWaalsContact C-N 3.28Å; I21-G23 PolarHBondContact O-N 2.89Å; I21-K24 PolarHBondContact O-N 2.83Å; I21-L25 HydrophobicContact CB-CD1 4.2Å; I21-L25 HydrophobicContact CG2-CD1 3.15Å; I21-L25 HydrophobicContact CG2-CG 4.47Å; I21-L25 WeakPolarHBondContact O-CD1 3.43Å; I21-Q90 HydrophobicContact CG2-CG 4.41Å
22G37Very low58.2Low36 Ų3680.8 Ų80.837%0.37140%0.404SS..Hα-helixtrans-64.2-17.1-175.700000116.3Q18 R19 S20 K24 L25Q18-G22 VanDerWaalsContact O-CA 3.25Å; Q18-G22 WeakPolarHBondContact O-CA 3.44Å; Q18-G22 PolarHBondContact O-N 3.24Å; R19-G22 WeakPolarHBondContact O-CA 3.39Å; R19-G22 PolarHBondContact O-N 2.72Å; R19-G22 VanDerWaalsContact O-N 3.1Å; S20-G22 VanDerWaalsContact C-N 3.35Å; G22-K24 PolarHBondContact O-N 3.23Å; G22-L25 PolarHBondContact O-N 3.17Å
23G41.3Very low60.1Low71 Ų7175.3 Ų75.373%0.73238%0.379SS*.THydrogen-bonded Turntrans-57.8-13.2172.900000114.5R19 I21R19-G23 PolarHBondContact O-N 2.88Å; I21-G23 VanDerWaalsContact C-N 3.28Å; I21-G23 PolarHBondContact O-N 2.89Å
24K44.7Very low62.3Low201 Ų20166.7 Ų66.787%0.87435%0.347SS*.THydrogen-bonded Turntrans-137.14.6175.8-69.4-172.3177.2-177.30115.6I21 G22I21-K24 PolarHBondContact O-N 2.83Å; G22-K24 PolarHBondContact O-N 3.23Å
25L47.4Very low64.4Low37 Ų3767.7 Ų67.719%0.19435%0.353CS..  trans-90.1139.9177.3-89.985.5000111.6I21 G22 M27 I32 L86I21-L25 HydrophobicContact CB-CD1 4.2Å; I21-L25 HydrophobicContact CG2-CD1 3.15Å; I21-L25 HydrophobicContact CG2-CG 4.47Å; I21-L25 WeakPolarHBondContact O-CD1 3.43Å; G22-L25 PolarHBondContact O-N 3.17Å; L25-M27 VanDerWaalsContact C-N 3.34Å; L25-M27 WeakPolarHBondContact CB-O 3.3Å; L25-M27 WeakPolarHBondContact CD2-O 3.48Å; L25-I32 HydrophobicContact CD2-CD1 4.46Å; L25-L86 HydrophobicContact CD1-CD2 4.32Å; L25-L86 HydrophobicContact CD2-CD2 3.52Å; L25-L86 HydrophobicContact CG-CD2 3.77Å
26K55.8Low66.4Low181 Ų18161 Ų6179%0.78733%0.328SS*.SBendtrans-71.7-28.7171.1-159175.3-179.6-178.80112
27M64Low68.5Low77 Ų7758.1 Ų58.138%0.37931%0.308SS..SBendtrans-143.6152.4177.1-57.2-162.6-153.900112.3L25 V31 I32 E83L25-M27 VanDerWaalsContact C-N 3.34Å; L25-M27 WeakPolarHBondContact CB-O 3.3Å; L25-M27 WeakPolarHBondContact CD2-O 3.48Å; M27-V31 HydrophobicContact CB-CB 4.25Å; M27-V31 HydrophobicContact CB-CG1 4.08Å; M27-V31 HydrophobicContact CG-CG1 4.27Å; M27-V31 HydrophobicContact SD-CG1 3.56Å; M27-V31 VanDerWaalsContact SD-CG1 3.56Å; M27-I32 HydrophobicContact CB-CG1 4.1Å; M27-E83 WeakPolarHBondContact CB-OE1 3.43Å; M27-E83 VanDerWaalsContact CG-OE1 3.25Å; M27-E83 WeakPolarHBondContact CG-OE1 2.87Å
28S81.2Confident70.6Confident40 Ų4053.9 Ų53.928%0.2829%0.288SS..  trans-79.4159.5175.360.70000112.3D30 V31 I32S28-D30 VanDerWaalsContact C-N 3.3Å; S28-D30 WeakPolarHBondContact CB-OD1 3.41Å; S28-D30 PolarHBondContact O-N 3.25Å; S28-D30 PolarHBondContact OG-OD1 3.35Å; S28-V31 WeakPolarHBondContact O-CB 3.49Å; S28-V31 PolarHBondContact O-N 3.06Å; S28-V31 WeakPolarHBondContact OG-CG2 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.22Å; S28-I32 PolarHBondContact O-N 2.61Å
29L80.5Confident73Confident7 Ų755.3 Ų55.34%0.03729%0.292CS..Hα-helixtrans-45.6-51.9-179.2165.735.8000113.3F14 V31 I32 T33 L94F14-L29 HydrophobicContact CE2-CD2 4.15Å; F14-L29 HydrophobicContact CZ-CD2 3.64Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.85Å; L29-I32 PolarHBondContact O-N 3.17Å; L29-T33 HydrophobicContact CD1-CG2 3.57Å; L29-T33 WeakPolarHBondContact O-CG2 3.34Å; L29-T33 PolarHBondContact O-N 3.05Å; L29-T33 PolarHBondContact O-OG1 3.24Å; L29-L94 HydrophobicContact CB-CD1 3.29Å; L29-L94 HydrophobicContact CB-CG 4.28Å; L29-L94 HydrophobicContact CD1-CD1 3.36Å; L29-L94 HydrophobicContact CD1-CD2 3.68Å; L29-L94 HydrophobicContact CD1-CG 3.29Å; L29-L94 HydrophobicContact CD2-CD1 3.43Å; L29-L94 VanDerWaalsContact CD2-CD1 3.43Å; L29-L94 HydrophobicContact CD2-CG 3.78Å; L29-L94 HydrophobicContact CG-CD1 3.42Å; L29-L94 VanDerWaalsContact CG-CD1 3.42Å; L29-L94 HydrophobicContact CG-CG 3.88Å
30D87.7Confident75.2Confident1 Ų145.7 Ų45.71%0.00526%0.256CS..Hα-helixtrans-61.4-38.9-179.754.9-56.8000112.2S28 T33 A34 L276 R389S28-D30 VanDerWaalsContact C-N 3.3Å; S28-D30 WeakPolarHBondContact CB-OD1 3.41Å; S28-D30 PolarHBondContact O-N 3.25Å; S28-D30 PolarHBondContact OG-OD1 3.35Å; D30-T33 WeakPolarHBondContact CA-OG1 3.2Å; D30-T33 PolarHBondContact O-N 3.36Å; D30-T33 PolarHBondContact O-OG1 2.97Å; D30-A34 WeakPolarHBondContact O-CB 3.37Å; D30-A34 PolarHBondContact O-N 3.27Å; D30-L276 HydrophobicContact CB-CD1 3.91Å; D30-L276 VanDerWaalsContact OD2-CD1 3.29Å; D30-L276 WeakPolarHBondContact OD2-CD1 3.14Å; D30-R389 HydrophobicContact CB-CB 3.69Å; D30-R389 VanDerWaalsContact CG-NH2 3.35Å; D30-R389 IonicContact OD1-NH2 3.48Å; D30-R389 PolarHBondContact OD1-NH2 3.43Å; D30-R389 IonicContact OD2-CZ 3.84Å; D30-R389 IonicContact OD2-NE 2.61Å; D30-R389 PolarHBondContact OD2-NE 2.75Å; D30-R389 IonicContact OD2-NH1 2.9Å; D30-R389 IonicContact OD2-NH2 3.54Å; D30-R389 PolarHBondContact OD2-NH2 2.84Å
31V92.4Very high77.5Confident18 Ų1841.2 Ų41.211%0.10922%0.223CC..Hα-helixtrans-67.1-42.4175.3176.30000110.8M27 S28 L29 T33 A34 D35 K273 L276M27-V31 HydrophobicContact CB-CB 4.25Å; M27-V31 HydrophobicContact CB-CG1 4.08Å; M27-V31 HydrophobicContact CG-CG1 4.27Å; M27-V31 HydrophobicContact SD-CG1 3.56Å; M27-V31 VanDerWaalsContact SD-CG1 3.56Å; S28-V31 WeakPolarHBondContact O-CB 3.49Å; S28-V31 PolarHBondContact O-N 3.06Å; S28-V31 WeakPolarHBondContact OG-CG2 3.31Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.85Å; V31-T33 VanDerWaalsContact C-N 3.35Å; V31-T33 PolarHBondContact O-N 3.32Å; V31-A34 PolarHBondContact O-N 2.98Å; V31-D35 WeakPolarHBondContact O-CB 3.34Å; V31-D35 PolarHBondContact O-N 2.83Å; V31-K273 HydrophobicContact CG1-CB 4.08Å; V31-K273 HydrophobicContact CG2-CB 4.4Å; V31-L276 HydrophobicContact CG2-CD1 4.03Å
32I91.1Very high79.8Confident3 Ų342.1 Ų42.12%0.01523%0.226CC..Hα-helixtrans-60.2-46.2177.4-64.8171.9000110.5L25 M27 S28 L29 D35 F36 E83 L86L25-I32 HydrophobicContact CD2-CD1 4.46Å; M27-I32 HydrophobicContact CB-CG1 4.1Å; S28-I32 WeakPolarHBondContact O-CG1 3.22Å; S28-I32 PolarHBondContact O-N 2.61Å; L29-I32 PolarHBondContact O-N 3.17Å; I32-D35 PolarHBondContact O-N 2.95Å; I32-F36 WeakPolarHBondContact O-CB 3.34Å; I32-F36 PolarHBondContact O-N 3.21Å; I32-E83 HydrophobicContact CD1-CG 4.13Å; I32-E83 HydrophobicContact CG1-CG 4Å; I32-E83 HydrophobicContact CG2-CG 4.46Å; I32-L86 HydrophobicContact CD1-CD1 3.93Å
33T92.6Very high82.6Confident7 Ų743.8 Ų43.84%0.04322%0.224CC..Hα-helixtrans-70-36.8179.354.60000112.8L29 D30 V31 A37 F56 L59L29-T33 HydrophobicContact CD1-CG2 3.57Å; L29-T33 WeakPolarHBondContact O-CG2 3.34Å; L29-T33 PolarHBondContact O-N 3.05Å; L29-T33 PolarHBondContact O-OG1 3.24Å; D30-T33 WeakPolarHBondContact CA-OG1 3.2Å; D30-T33 PolarHBondContact O-N 3.36Å; D30-T33 PolarHBondContact O-OG1 2.97Å; V31-T33 VanDerWaalsContact C-N 3.35Å; V31-T33 PolarHBondContact O-N 3.32Å; T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 2.85Å; T33-F56 HydrophobicContact CG2-CD2 4.44Å; T33-L59 HydrophobicContact CG2-CD2 3.66Å
34A95.5Very high85.1Confident0 Ų040.9 Ų40.90%019%0.193CC..Hα-helixtrans-68.3-34.9174.300000112.4D30 V31 A37 L38 L276D30-A34 WeakPolarHBondContact O-CB 3.37Å; D30-A34 PolarHBondContact O-N 3.27Å; V31-A34 PolarHBondContact O-N 2.98Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 3.35Å; A34-L38 PolarHBondContact O-N 2.87Å; A34-L276 HydrophobicContact CB-CD1 4.1Å; A34-L276 HydrophobicContact CB-CD2 4.34Å; A34-L276 HydrophobicContact CB-CG 4.05Å
35D95.2Very high87.4Confident47 Ų4732.9 Ų32.925%0.25117%0.165SC..Hα-helixtrans-69.9-44.5174.7-171.876000111.5V31 I32 A37 L38 R39V31-D35 WeakPolarHBondContact O-CB 3.34Å; V31-D35 PolarHBondContact O-N 2.83Å; I32-D35 PolarHBondContact O-N 2.95Å; D35-A37 VanDerWaalsContact C-N 3.26Å; D35-A37 PolarHBondContact O-N 2.83Å; D35-L38 PolarHBondContact O-N 2.73Å; D35-R39 WeakPolarHBondContact O-CB 3.35Å; D35-R39 WeakPolarHBondContact O-CG 3.35Å; D35-R39 PolarHBondContact O-N 2.84Å; D35-R39 IonicContact OD2-CZ 3.98Å; D35-R39 IonicContact OD2-NE 3.02Å; D35-R39 PolarHBondContact OD2-NE 2.9Å; D35-R39 IonicContact OD2-NH2 3.74Å; D35-R39 PolarHBondContact OD2-NH2 3.05Å
36F95.5Very high89.2Confident2 Ų234.8 Ų34.81%0.00918%0.178CC..Hα-helixtrans-56.4-42.4170.4176.4-100.8000111.7I32 R39 T40 P55 I58 L59 L62 L81I32-F36 WeakPolarHBondContact O-CB 3.34Å; I32-F36 PolarHBondContact O-N 3.21Å; F36-R39 PolarHBondContact O-N 3.04Å; F36-T40 WeakPolarHBondContact CE2-OG1 3.46Å; F36-T40 VanDerWaalsContact CZ-OG1 3.27Å; F36-T40 WeakPolarHBondContact CZ-OG1 3.47Å; F36-T40 WeakPolarHBondContact O-CB 3.46Å; F36-T40 PolarHBondContact O-N 3.22Å; F36-T40 PolarHBondContact O-OG1 2.88Å; F36-P55 VanDerWaalsContact CE1-O 3.32Å; F36-P55 WeakPolarHBondContact CE1-O 3.39Å; F36-I58 HydrophobicContact CE1-CB 4.5Å; F36-I58 HydrophobicContact CE1-CG2 4.16Å; F36-I58 HydrophobicContact CZ-CG2 3.92Å; F36-L59 HydrophobicContact CD1-CB 3.92Å; F36-L59 HydrophobicContact CD1-CD1 4.02Å; F36-L59 HydrophobicContact CD1-CD2 4.31Å; F36-L59 HydrophobicContact CD1-CG 4.31Å; F36-L59 HydrophobicContact CD2-CD1 4.34Å; F36-L59 HydrophobicContact CE1-CB 3.72Å; F36-L59 HydrophobicContact CE1-CD1 4.1Å; F36-L59 HydrophobicContact CE1-CG 4.42Å; F36-L59 HydrophobicContact CE2-CD1 4.42Å; F36-L59 HydrophobicContact CG-CD1 4.15Å; F36-L59 HydrophobicContact CZ-CB 4.49Å; F36-L59 HydrophobicContact CZ-CD1 4.3Å; F36-L62 HydrophobicContact CE2-CD1 4.4Å; F36-L62 HydrophobicContact CZ-CD1 3.9Å; F36-L81 HydrophobicContact CD2-CD2 4.09Å; F36-L81 HydrophobicContact CE2-CD2 3.46Å; F36-L81 VanDerWaalsContact CE2-CD2 3.46Å; F36-L81 HydrophobicContact CZ-CD2 4.08Å
37A96.2Very high90.7Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-58.9-50.9177.500000112.6T33 A34 D35 T40 Y41 P55T33-A37 WeakPolarHBondContact O-CB 3.29Å; T33-A37 PolarHBondContact O-N 2.85Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 3.35Å; D35-A37 VanDerWaalsContact C-N 3.26Å; D35-A37 PolarHBondContact O-N 2.83Å; A37-T40 PolarHBondContact O-N 2.83Å; A37-Y41 VanDerWaalsContact O-CB 3.27Å; A37-Y41 WeakPolarHBondContact O-CB 3.41Å; A37-Y41 PolarHBondContact O-N 2.95Å; A37-P55 VanDerWaalsContact CA-CB 3.43Å; A37-P55 HydrophobicContact CB-CB 3.44Å; A37-P55 VanDerWaalsContact CB-CB 3.44Å; A37-P55 HydrophobicContact CB-CG 3.4Å
38L96.7Very high91.7Very high3 Ų329.1 Ų29.12%0.01617%0.167CC..Hα-helixtrans-67.4-40.9-179.8-73.8170.6000112.3A34 D35 Y41 H42 M267 L270 H271 L275 I394A34-L38 PolarHBondContact O-N 2.87Å; D35-L38 PolarHBondContact O-N 2.73Å; L38-Y41 PolarHBondContact O-N 3.45Å; L38-H42 WeakPolarHBondContact O-CB 3.32Å; L38-H42 PolarHBondContact O-CD2 3.32Å; L38-H42 PolarHBondContact O-N 3.27Å; L38-M267 HydrophobicContact CD2-CE 4.03Å; L38-L270 HydrophobicContact CD1-CB 4.04Å; L38-L270 HydrophobicContact CD2-CB 4.37Å; L38-H271 VanDerWaalsContact CD1-CA 3.48Å; L38-L275 HydrophobicContact CD1-CB 4.16Å; L38-L275 HydrophobicContact CD1-CD2 4.2Å; L38-L275 HydrophobicContact CD2-CD2 4.32Å; L38-L275 HydrophobicContact CG-CD2 4.22Å; L38-I394 HydrophobicContact CD2-CD1 3.83Å
39R95.9Very high92.2Very high68 Ų6831.9 Ų31.926%0.25718%0.175SC..Hα-helixtrans-61.8-45.8175.5-73.3-171.4-71.9115.3-1.1111.7D35 F36 Y41 H42 E43 K80 L309D35-R39 WeakPolarHBondContact O-CB 3.35Å; D35-R39 WeakPolarHBondContact O-CG 3.35Å; D35-R39 PolarHBondContact O-N 2.84Å; D35-R39 IonicContact OD2-CZ 3.98Å; D35-R39 IonicContact OD2-NE 3.02Å; D35-R39 PolarHBondContact OD2-NE 2.9Å; D35-R39 IonicContact OD2-NH2 3.74Å; D35-R39 PolarHBondContact OD2-NH2 3.05Å; F36-R39 PolarHBondContact O-N 3.04Å; R39-Y41 VanDerWaalsContact C-N 3.35Å; R39-H42 PolarHBondContact O-N 3.3Å; R39-E43 PolarHBondContact O-N 2.86Å; R39-E43 VanDerWaalsContact O-N 3.13Å; R39-K80 VanDerWaalsContact CZ-O 3.29Å; R39-K80 PolarHBondContact NH1-O 3.2Å; R39-K80 PolarHBondContact NH2-O 3.37Å; R39-L309 HydrophobicContact CB-CD2 3.83Å
40T96Very high92.9Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-63.9-42.7177.9-52.50000111.2F36 A37 H42 E43 A44 I53 I58 V305 L309F36-T40 WeakPolarHBondContact CE2-OG1 3.46Å; F36-T40 VanDerWaalsContact CZ-OG1 3.27Å; F36-T40 WeakPolarHBondContact CZ-OG1 3.47Å; F36-T40 WeakPolarHBondContact O-CB 3.46Å; F36-T40 PolarHBondContact O-N 3.22Å; F36-T40 PolarHBondContact O-OG1 2.88Å; A37-T40 PolarHBondContact O-N 2.83Å; T40-H42 PolarHBondContact O-N 2.68Å; T40-E43 PolarHBondContact O-N 3.19Å; T40-A44 VanDerWaalsContact O-CB 3.26Å; T40-A44 WeakPolarHBondContact O-CB 3.48Å; T40-A44 PolarHBondContact O-N 2.87Å; T40-A44 VanDerWaalsContact O-N 3.11Å; T40-I53 HydrophobicContact CG2-CD1 3.71Å; T40-I58 HydrophobicContact CG2-CD1 4.23Å; T40-V305 HydrophobicContact CG2-CG1 4.16Å; T40-L309 HydrophobicContact CG2-CD1 4.4Å
41Y95Very high93.1Very high8 Ų832 Ų323%0.03118%0.176CC..Hα-helixtrans-57.9-47.7173167.1-86.7000111.5A37 L38 R39 E43 A44 A45 F51 M267 D396A37-Y41 VanDerWaalsContact O-CB 3.27Å; A37-Y41 WeakPolarHBondContact O-CB 3.41Å; A37-Y41 PolarHBondContact O-N 2.95Å; L38-Y41 PolarHBondContact O-N 3.45Å; R39-Y41 VanDerWaalsContact C-N 3.35Å; Y41-E43 VanDerWaalsContact C-N 3.27Å; Y41-E43 PolarHBondContact O-N 3.24Å; Y41-A44 PolarHBondContact O-N 3.09Å; Y41-A45 HydrophobicContact CD1-CB 4.42Å; Y41-A45 HydrophobicContact CD2-CB 4.2Å; Y41-A45 HydrophobicContact CE1-CB 3.96Å; Y41-A45 HydrophobicContact CE2-CB 3.75Å; Y41-A45 HydrophobicContact CG-CB 4.5Å; Y41-A45 VanDerWaalsContact O-CB 3.24Å; Y41-A45 WeakPolarHBondContact O-CB 3.37Å; Y41-A45 PolarHBondContact O-N 3Å; Y41-F51 HydrophobicContact CD2-CD1 4.02Å; Y41-F51 HydrophobicContact CD2-CE1 4.01Å; Y41-F51 AromaticContact CE2-CD1 3.96Å; Y41-F51 HydrophobicContact CE2-CD1 3.96Å; Y41-F51 HydrophobicContact CE2-CE1 4.41Å; Y41-M267 HydrophobicContact CD1-CE 3.59Å; Y41-M267 HydrophobicContact CE1-CE 3.19Å; Y41-M267 HydrophobicContact CE1-CG 4.28Å; Y41-M267 HydrophobicContact CE2-CE 4.36Å; Y41-M267 HydrophobicContact CG-CE 4.36Å; Y41-D396 VanDerWaalsContact CE2-OD1 3.28Å; Y41-D396 WeakPolarHBondContact CE2-OD1 3.19Å; Y41-D396 PolarHBondContact OH-OD1 3.49Å; Y41-D396 PolarHBondContact OH-OD2 3.2Å
42H95Very high93.2Very high78 Ų7831.1 Ų31.136%0.36117%0.171SC..Hα-helixtrans-60.8-36.3-178.7-79.2-53.5000113.2L38 R39 T40 A44 M267L38-H42 WeakPolarHBondContact O-CB 3.32Å; L38-H42 PolarHBondContact O-CD2 3.32Å; L38-H42 PolarHBondContact O-N 3.27Å; R39-H42 PolarHBondContact O-N 3.3Å; T40-H42 PolarHBondContact O-N 2.68Å; H42-A44 VanDerWaalsContact C-N 3.34Å; H42-M267 PolarHBondContact CE1-O 3Å; H42-M267 VanDerWaalsContact CE1-O 3.27Å; H42-M267 PolarHBondContact NE2-O 3.1Å
43E94.9Very high93.4Very high70 Ų7031 Ų3133%0.32717%0.17SC..Hα-helixtrans-79.2-17.3177.5-65.7-52.9152.700113.5R39 T40 Y41 V305 R308 L309R39-E43 PolarHBondContact O-N 2.86Å; R39-E43 VanDerWaalsContact O-N 3.13Å; T40-E43 PolarHBondContact O-N 3.19Å; Y41-E43 VanDerWaalsContact C-N 3.27Å; Y41-E43 PolarHBondContact O-N 3.24Å; E43-V305 HydrophobicContact CB-CG1 3.83Å; E43-R308 HydrophobicContact CB-CB 4.33Å; E43-R308 HydrophobicContact CG-CB 4.14Å; E43-R308 VanDerWaalsContact O-CZ 3.3Å; E43-R308 PolarHBondContact O-NE 3.06Å; E43-R308 VanDerWaalsContact O-NE 3.09Å; E43-R308 PolarHBondContact O-NH2 2.82Å; E43-R308 WeakPolarHBondContact OE2-CB 3.39Å; E43-R308 WeakPolarHBondContact OE2-CD 3.11Å; E43-R308 IonicContact OE2-NE 2.64Å; E43-L309 HydrophobicContact CB-CD2 4.38Å; E43-L309 HydrophobicContact CB-CG 4.3Å; E43-L309 HydrophobicContact CG-CD2 3.59Å; E43-L309 HydrophobicContact CG-CG 3.84Å
44A94.2Very high93.5Very high10 Ų1030.6 Ų30.68%0.08317%0.168CC..Hα-helixtrans-108-28.4-174.300000114.2T40 Y41 H42 F51 L300 V305T40-A44 VanDerWaalsContact O-CB 3.26Å; T40-A44 WeakPolarHBondContact O-CB 3.48Å; T40-A44 PolarHBondContact O-N 2.87Å; T40-A44 VanDerWaalsContact O-N 3.11Å; Y41-A44 PolarHBondContact O-N 3.09Å; H42-A44 VanDerWaalsContact C-N 3.34Å; A44-F51 HydrophobicContact CB-CE1 3.9Å; A44-F51 HydrophobicContact CB-CE2 4.22Å; A44-F51 HydrophobicContact CB-CZ 3.33Å; A44-L300 HydrophobicContact CB-CD1 4.13Å; A44-L300 HydrophobicContact CB-CD2 4.13Å; A44-V305 HydrophobicContact CB-CG1 3.93Å; A44-V305 HydrophobicContact CB-CG2 3.78Å
45A91.8Very high93.5Very high33 Ų3330.7 Ų30.727%0.27317%0.169SC..PPolyproline II helixtrans-65.9138.8-172.800000112.7Y41 F51Y41-A45 HydrophobicContact CD1-CB 4.42Å; Y41-A45 HydrophobicContact CD2-CB 4.2Å; Y41-A45 HydrophobicContact CE1-CB 3.96Å; Y41-A45 HydrophobicContact CE2-CB 3.75Å; Y41-A45 HydrophobicContact CG-CB 4.5Å; Y41-A45 VanDerWaalsContact O-CB 3.24Å; Y41-A45 WeakPolarHBondContact O-CB 3.37Å; Y41-A45 PolarHBondContact O-N 3Å; A45-F51 HydrophobicContact CB-CD1 3.78Å; A45-F51 HydrophobicContact CB-CE1 4.1Å; A45-F51 HydrophobicContact CB-CG 4.48Å
46V86.8Confident93.4Very high77 Ų7728.6 Ų28.647%0.46716%0.157SC..PPolyproline II helixtrans-97.9129.1177-177.80000109.2N48 H49V46-N48 PolarHBondContact O-N 2.96Å; V46-H49 HydrophobicContact CB-CB 4.33Å; V46-H49 HydrophobicContact CG1-CB 4.28Å; V46-H49 PolarHBondContact O-N 2.97Å
47A85.6Confident93.2Very high69 Ų6928.6 Ų28.657%0.5716%0.157SC*.THydrogen-bonded Turntrans-61.1124.5-173.900000112.8H49A47-H49 VanDerWaalsContact C-N 3.27Å; A47-H49 PolarHBondContact O-CD2 2.96Å; A47-H49 PolarHBondContact O-N 3.03Å
48N86.9Confident93.1Very high71 Ų7128.6 Ų28.638%0.3816%0.157SC..THydrogen-bonded Turntrans63.823.2177.1-43-61.3000115.6V46 Y398V46-N48 PolarHBondContact O-N 2.96Å; N48-Y398 HydrophobicContact CB-CD1 4.19Å; N48-Y398 HydrophobicContact CB-CE1 4.09Å
49H91.5Very high93.1Very high97 Ų9728.5 Ų28.545%0.44916%0.157SC..SBendtrans-119.8158.3168.7-72.1-93.9000108.5V46 A47 Y398V46-H49 HydrophobicContact CB-CB 4.33Å; V46-H49 HydrophobicContact CG1-CB 4.28Å; V46-H49 PolarHBondContact O-N 2.97Å; A47-H49 VanDerWaalsContact C-N 3.27Å; A47-H49 PolarHBondContact O-CD2 2.96Å; A47-H49 PolarHBondContact O-N 3.03Å; H49-Y398 WeakPolarHBondContact O-CD2 3.47Å
50S94.1Very high92.9Very high6 Ų625.4 Ų25.44%0.04215%0.146CC..  trans-55.2-85.7-173.4-70.80000113D396 Y398 A399S50-D396 CarbonylContact C-O 3.53Å; S50-D396 WeakPolarHBondContact CA-O 3.4Å; S50-D396 CarbonylContact O-C 3.53Å; S50-D396 VanDerWaalsContact O-CG 3.28Å; S50-Y398 PolarHBondContact OG-N 3.35Å; S50-A399 PolarHBondContact OG-O 3Å
51F92.9Very high92.8Very high4 Ų425.4 Ų25.42%0.01815%0.146CC..  trans74.2130.5176.5-167.1-100.5000117.5Y41 A44 A45 I53 Y298 L300 G395 D396Y41-F51 HydrophobicContact CD2-CD1 4.02Å; Y41-F51 HydrophobicContact CD2-CE1 4.01Å; Y41-F51 AromaticContact CE2-CD1 3.96Å; Y41-F51 HydrophobicContact CE2-CD1 3.96Å; Y41-F51 HydrophobicContact CE2-CE1 4.41Å; A44-F51 HydrophobicContact CB-CE1 3.9Å; A44-F51 HydrophobicContact CB-CE2 4.22Å; A44-F51 HydrophobicContact CB-CZ 3.33Å; A45-F51 HydrophobicContact CB-CD1 3.78Å; A45-F51 HydrophobicContact CB-CE1 4.1Å; A45-F51 HydrophobicContact CB-CG 4.48Å; F51-I53 HydrophobicContact CE1-CG1 4.49Å; F51-I53 HydrophobicContact CE1-CG2 3.88Å; F51-I53 HydrophobicContact CE2-CG2 4.11Å; F51-I53 HydrophobicContact CZ-CG2 3.35Å; F51-Y298 HydrophobicContact CB-CE1 4.2Å; F51-Y298 HydrophobicContact CB-CE2 4.47Å; F51-Y298 AromaticContact CD2-CD1 3.63Å; F51-Y298 HydrophobicContact CD2-CD1 3.63Å; F51-Y298 AromaticContact CD2-CE1 3.7Å; F51-Y298 HydrophobicContact CD2-CE1 3.7Å; F51-Y298 HydrophobicContact CD2-CG 4.2Å; F51-Y298 HydrophobicContact CE2-CD1 4.19Å; F51-Y298 HydrophobicContact CG-CE1 4.45Å; F51-Y298 PolarHBondContact N-OH 3.38Å; F51-L300 HydrophobicContact CE2-CD1 4.33Å; F51-G395 CarbonylContact O-C 3.57Å; F51-G395 WeakPolarHBondContact O-CA 3.28Å; F51-D396 PolarHBondContact O-N 3.4Å
52F94.2Very high92.9Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-156.7162.1168.677-71.9000110.3L296 Y298 A340 I342 F381 F393 I394F52-L296 HydrophobicContact CD1-CB 3.6Å; F52-L296 HydrophobicContact CD1-CD1 4.06Å; F52-L296 HydrophobicContact CD1-CG 4.49Å; F52-L296 HydrophobicContact CE1-CB 3.37Å; F52-L296 WeakPolarHBondContact CE1-O 3.37Å; F52-L296 HydrophobicContact CZ-CB 4.36Å; F52-L296 WeakPolarHBondContact CZ-O 3.33Å; F52-Y298 AromaticContact CD1-CD2 3.43Å; F52-Y298 HydrophobicContact CD1-CD2 3.43Å; F52-Y298 VanDerWaalsContact CD1-CD2 3.43Å; F52-Y298 HydrophobicContact CD1-CE2 4.12Å; F52-Y298 HydrophobicContact CD1-CG 4.3Å; F52-Y298 AromaticContact CE1-CD2 3.57Å; F52-Y298 HydrophobicContact CE1-CD2 3.57Å; F52-Y298 HydrophobicContact CE1-CE2 4.48Å; F52-Y298 HydrophobicContact CE1-CG 4.37Å; F52-A340 HydrophobicContact CD2-CB 4.35Å; F52-A340 HydrophobicContact CE2-CB 3.56Å; F52-A340 VanDerWaalsContact CZ-C 3.43Å; F52-A340 HydrophobicContact CZ-CB 3.83Å; F52-A340 VanDerWaalsContact CZ-O 3.24Å; F52-A340 WeakPolarHBondContact CZ-O 3.29Å; F52-I342 HydrophobicContact CD1-CG2 4.09Å; F52-I342 HydrophobicContact CD2-CB 4.44Å; F52-I342 HydrophobicContact CD2-CG2 3.94Å; F52-I342 HydrophobicContact CE1-CG2 3.8Å; F52-I342 HydrophobicContact CE2-CB 3.84Å; F52-I342 HydrophobicContact CE2-CG2 3.6Å; F52-I342 HydrophobicContact CG-CG2 4.17Å; F52-I342 HydrophobicContact CZ-CB 4.02Å; F52-I342 HydrophobicContact CZ-CG2 3.53Å; F52-F381 HydrophobicContact CB-CE2 4.06Å; F52-F381 HydrophobicContact CB-CZ 3.69Å; F52-F381 HydrophobicContact CG-CZ 4.29Å; F52-F393 AromaticContact CD2-CD1 3.84Å; F52-F393 HydrophobicContact CD2-CD1 3.84Å; F52-F393 HydrophobicContact CD2-CE1 4.48Å; F52-F393 AromaticContact CE2-CD1 3.8Å; F52-F393 HydrophobicContact CE2-CD1 3.8Å; F52-F393 AromaticContact CE2-CE1 4Å; F52-F393 HydrophobicContact CE2-CE1 4Å; F52-I394 CarbonylContact C-O 3.58Å; F52-I394 VanDerWaalsContact CA-O 3.26Å; F52-I394 WeakPolarHBondContact CA-O 3.46Å; F52-I394 WeakPolarHBondContact CB-O 3.33Å
53I95.1Very high92.9Very high0 Ų021.3 Ų21.30%013%0.127CC..EExtended strand (participates in β ladder)trans-139.7163.9174.450169.8000110.2T40 F51 P55 I58 L300 F393 I394T40-I53 HydrophobicContact CG2-CD1 3.71Å; F51-I53 HydrophobicContact CE1-CG1 4.49Å; F51-I53 HydrophobicContact CE1-CG2 3.88Å; F51-I53 HydrophobicContact CE2-CG2 4.11Å; F51-I53 HydrophobicContact CZ-CG2 3.35Å; I53-P55 HydrophobicContact CD1-CB 4.31Å; I53-P55 WeakPolarHBondContact O-CD 3.31Å; I53-I58 HydrophobicContact CB-CD1 4.24Å; I53-I58 HydrophobicContact CD1-CD1 4.47Å; I53-I58 HydrophobicContact CG2-CD1 4.48Å; I53-L300 HydrophobicContact CG2-CD2 3.84Å; I53-F393 WeakPolarHBondContact O-CA 3.49Å; I53-I394 HydrophobicContact CD1-CG2 4.46Å; I53-I394 HydrophobicContact CG1-CG2 3.96Å; I53-I394 PolarHBondContact N-O 3.3Å; I53-I394 PolarHBondContact O-N 3.33Å
54S94.7Very high92.9Very high0 Ų018 Ų180%011%0.111CC..  trans-101.491.8160-176.20000111F56 S57 I58 I191 H338 L392S54-F56 VanDerWaalsContact C-N 3.31Å; S54-F56 PolarHBondContact O-N 3.05Å; S54-S57 PolarHBondContact O-N 3.15Å; S54-S57 WeakPolarHBondContact OG-CB 3.19Å; S54-S57 PolarHBondContact OG-N 2.84Å; S54-I58 WeakPolarHBondContact O-CG1 3.21Å; S54-I58 PolarHBondContact O-N 2.65Å; S54-I191 WeakPolarHBondContact OG-CD1 3.42Å; S54-H338 PolarHBondContact N-NE2 2.86Å; S54-H338 VanDerWaalsContact N-NE2 3.1Å; S54-L392 WeakPolarHBondContact CA-O 3.42Å; S54-L392 VanDerWaalsContact CB-O 3.25Å; S54-L392 WeakPolarHBondContact CB-O 3.44Å; S54-L392 PolarHBondContact OG-O 3.05Å
55P95.4Very high93Very high1 Ų117.5 Ų17.51%0.00611%0.108CC..Hα-helixtrans-66.5-35.6-174.927.4-34.7000111.8F36 A37 I53 I58 L59 T391 I394F36-P55 VanDerWaalsContact CE1-O 3.32Å; F36-P55 WeakPolarHBondContact CE1-O 3.39Å; A37-P55 VanDerWaalsContact CA-CB 3.43Å; A37-P55 HydrophobicContact CB-CB 3.44Å; A37-P55 VanDerWaalsContact CB-CB 3.44Å; A37-P55 HydrophobicContact CB-CG 3.4Å; I53-P55 HydrophobicContact CD1-CB 4.31Å; I53-P55 WeakPolarHBondContact O-CD 3.31Å; P55-I58 PolarHBondContact O-N 2.79Å; P55-L59 WeakPolarHBondContact O-CB 3.23Å; P55-L59 PolarHBondContact O-N 2.96Å; P55-T391 HydrophobicContact CG-CG2 4.34Å; P55-I394 HydrophobicContact CG-CG2 3.91Å
56F92.4Very high93.3Very high4 Ų416 Ų162%0.01810%0.095CC..Hα-helixtrans-67.1-39.5176.5-174.5-94.7000112.2T33 S54 L59 V60 M95 A98 L102 I390T33-F56 HydrophobicContact CG2-CD2 4.44Å; S54-F56 VanDerWaalsContact C-N 3.31Å; S54-F56 PolarHBondContact O-N 3.05Å; F56-L59 WeakPolarHBondContact O-CB 3.33Å; F56-L59 PolarHBondContact O-N 3.16Å; F56-L59 VanDerWaalsContact O-N 3.16Å; F56-V60 HydrophobicContact CD1-CG2 3.91Å; F56-V60 HydrophobicContact CE1-CG2 3.32Å; F56-V60 HydrophobicContact CE2-CG2 4.49Å; F56-V60 HydrophobicContact CZ-CG2 3.67Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 2.93Å; F56-M95 HydrophobicContact CE2-CE 4.18Å; F56-M95 HydrophobicContact CZ-CE 4.18Å; F56-A98 HydrophobicContact CE2-CB 3.62Å; F56-A98 HydrophobicContact CZ-CB 3.41Å; F56-A98 VanDerWaalsContact CZ-CB 3.41Å; F56-L102 HydrophobicContact CD1-CD1 3.13Å; F56-L102 HydrophobicContact CD1-CG 4.45Å; F56-L102 HydrophobicContact CE1-CD1 3.22Å; F56-L102 HydrophobicContact CE1-CG 4.25Å; F56-L102 HydrophobicContact CG-CD1 4.17Å; F56-L102 HydrophobicContact CZ-CD1 4.31Å; F56-I390 HydrophobicContact CB-CG2 3.69Å; F56-I390 HydrophobicContact CD1-CG2 4.17Å; F56-I390 HydrophobicContact CD2-CD1 4.23Å; F56-I390 HydrophobicContact CD2-CG1 4.48Å; F56-I390 HydrophobicContact CD2-CG2 3.44Å; F56-I390 VanDerWaalsContact CD2-CG2 3.44Å; F56-I390 HydrophobicContact CE2-CD1 3.87Å; F56-I390 HydrophobicContact CE2-CG2 4.15Å; F56-I390 HydrophobicContact CG-CG2 3.45Å; F56-I390 VanDerWaalsContact CG-CG2 3.45Å; F56-I390 HydrophobicContact CZ-CD1 4.21Å
57S92.3Very high93.8Very high1 Ų112.3 Ų12.31%0.0077%0.073CC..Hα-helixtrans-63.9-44177.4-155.30000111.1S54 L59 V60 A61 I115 N189S54-S57 PolarHBondContact O-N 3.15Å; S54-S57 WeakPolarHBondContact OG-CB 3.19Å; S54-S57 PolarHBondContact OG-N 2.84Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 2.83Å; S57-V60 WeakPolarHBondContact O-CB 3.28Å; S57-V60 PolarHBondContact O-N 2.93Å; S57-A61 PolarHBondContact O-N 3.22Å; S57-I115 WeakPolarHBondContact OG-CG2 3.33Å; S57-N189 VanDerWaalsContact C-ND2 3.31Å; S57-N189 WeakPolarHBondContact CB-ND2 3.42Å; S57-N189 WeakPolarHBondContact CB-OD1 3.23Å; S57-N189 PolarHBondContact O-ND2 3.47Å; S57-N189 VanDerWaalsContact O-ND2 3.12Å; S57-N189 PolarHBondContact OG-ND2 3.44Å; S57-N189 PolarHBondContact OG-OD1 2.63Å
58I94.9Very high94.3Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-56.8-44.5170.9-67.6167.4000111F36 T40 I53 S54 P55 V60 A61 L62 N189 L302 H338F36-I58 HydrophobicContact CE1-CB 4.5Å; F36-I58 HydrophobicContact CE1-CG2 4.16Å; F36-I58 HydrophobicContact CZ-CG2 3.92Å; T40-I58 HydrophobicContact CG2-CD1 4.23Å; I53-I58 HydrophobicContact CB-CD1 4.24Å; I53-I58 HydrophobicContact CD1-CD1 4.47Å; I53-I58 HydrophobicContact CG2-CD1 4.48Å; S54-I58 WeakPolarHBondContact O-CG1 3.21Å; S54-I58 PolarHBondContact O-N 2.65Å; P55-I58 PolarHBondContact O-N 2.79Å; I58-V60 VanDerWaalsContact C-N 3.35Å; I58-V60 PolarHBondContact O-N 2.99Å; I58-A61 WeakPolarHBondContact O-CB 3.46Å; I58-A61 PolarHBondContact O-N 3.38Å; I58-L62 HydrophobicContact CG2-CD1 3.62Å; I58-L62 HydrophobicContact CG2-CG 4.35Å; I58-L62 WeakPolarHBondContact O-CG 3.38Å; I58-L62 PolarHBondContact O-N 3.37Å; I58-N189 PolarHBondContact N-OD1 3.12Å; I58-L302 HydrophobicContact CD1-CD1 4.06Å; I58-L302 HydrophobicContact CG1-CD1 4.42Å; I58-L302 HydrophobicContact CG1-CD2 4.31Å; I58-L302 HydrophobicContact CG2-CD1 4.06Å; I58-L302 HydrophobicContact CG2-CD2 3.96Å; I58-H338 HydrophobicContact CD1-CB 4.41Å; I58-H338 HydrophobicContact CG1-CB 4.26Å
59L94.9Very high94.9Very high1 Ų15.7 Ų5.71%0.0053%0.027CC..Hα-helixtrans-64.8-36.8179.6-173.763.1000112.6T33 F36 P55 F56 S57 G63 L81 F82 M95T33-L59 HydrophobicContact CG2-CD2 3.66Å; F36-L59 HydrophobicContact CD1-CB 3.92Å; F36-L59 HydrophobicContact CD1-CD1 4.02Å; F36-L59 HydrophobicContact CD1-CD2 4.31Å; F36-L59 HydrophobicContact CD1-CG 4.31Å; F36-L59 HydrophobicContact CD2-CD1 4.34Å; F36-L59 HydrophobicContact CE1-CB 3.72Å; F36-L59 HydrophobicContact CE1-CD1 4.1Å; F36-L59 HydrophobicContact CE1-CG 4.42Å; F36-L59 HydrophobicContact CE2-CD1 4.42Å; F36-L59 HydrophobicContact CG-CD1 4.15Å; F36-L59 HydrophobicContact CZ-CB 4.49Å; F36-L59 HydrophobicContact CZ-CD1 4.3Å; P55-L59 WeakPolarHBondContact O-CB 3.23Å; P55-L59 PolarHBondContact O-N 2.96Å; F56-L59 WeakPolarHBondContact O-CB 3.33Å; F56-L59 PolarHBondContact O-N 3.16Å; F56-L59 VanDerWaalsContact O-N 3.16Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 2.83Å; L59-G63 WeakPolarHBondContact O-CA 3.26Å; L59-G63 PolarHBondContact O-N 2.8Å; L59-L81 HydrophobicContact CD1-CB 3.9Å; L59-L81 HydrophobicContact CD1-CD2 4.15Å; L59-L81 HydrophobicContact CD1-CG 4.48Å; L59-F82 HydrophobicContact CD1-CD1 4.32Å; L59-F82 HydrophobicContact CD1-CE1 3.66Å; L59-F82 HydrophobicContact CD1-CZ 3.97Å; L59-F82 HydrophobicContact CD2-CE1 4.19Å; L59-F82 HydrophobicContact CG-CE1 3.97Å; L59-F82 HydrophobicContact CG-CZ 4.45Å; L59-M95 HydrophobicContact CD2-CE 4.37Å; L59-M95 HydrophobicContact CD2-SD 4.24Å; L59-M95 HydrophobicContact CG-CE 4.04Å; L59-M95 HydrophobicContact CG-SD 4.36Å
60V92.7Very high95.2Very high4 Ų42.6 Ų2.62%0.0242%0.017CC..Hα-helixtrans-61.2-47.7172.7169.10000109.9F56 S57 I58 L62 G63 M64 M95 N117 Y139F56-V60 HydrophobicContact CD1-CG2 3.91Å; F56-V60 HydrophobicContact CE1-CG2 3.32Å; F56-V60 HydrophobicContact CE2-CG2 4.49Å; F56-V60 HydrophobicContact CZ-CG2 3.67Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 2.93Å; S57-V60 WeakPolarHBondContact O-CB 3.28Å; S57-V60 PolarHBondContact O-N 2.93Å; I58-V60 VanDerWaalsContact C-N 3.35Å; I58-V60 PolarHBondContact O-N 2.99Å; V60-L62 PolarHBondContact O-N 3.21Å; V60-G63 PolarHBondContact O-N 3.11Å; V60-M64 PolarHBondContact O-N 3.27Å; V60-M95 HydrophobicContact CB-CE 4.41Å; V60-M95 HydrophobicContact CG2-CE 3.78Å; V60-N117 HydrophobicContact CG1-CB 4.43Å; V60-N117 WeakPolarHBondContact CG1-ND2 3.36Å; V60-Y139 HydrophobicContact CG1-CD1 4.14Å
61A94Very high95.3Very high0 Ų04.1 Ų4.10%03%0.033CC..Hα-helixtrans-60.6-45.4179.400000111.5S57 I58 G63 M64 T65 L187 N189S57-A61 PolarHBondContact O-N 3.22Å; I58-A61 WeakPolarHBondContact O-CB 3.46Å; I58-A61 PolarHBondContact O-N 3.38Å; A61-G63 VanDerWaalsContact C-N 3.34Å; A61-G63 PolarHBondContact O-N 2.73Å; A61-M64 HydrophobicContact CB-CE 4.03Å; A61-M64 WeakPolarHBondContact O-CG 3.48Å; A61-T65 PolarHBondContact O-N 3.02Å; A61-T65 PolarHBondContact O-OG1 2.66Å; A61-T65 VanDerWaalsContact O-OG1 3.09Å; A61-L187 HydrophobicContact CB-CD1 3.72Å; A61-L187 HydrophobicContact CB-CD2 4.03Å; A61-L187 HydrophobicContact CB-CG 4Å; A61-L187 WeakPolarHBondContact O-CD1 3.48Å; A61-N189 HydrophobicContact CB-CB 4.03Å
62L96.4Very high95.6Very high0 Ų08.2 Ų8.20%06%0.055CC..Hα-helixtrans-71.7-29.2176.7-65.8166.8000113F36 I58 V60 T65 Y66 M77 L81 L187 L306 M314F36-L62 HydrophobicContact CE2-CD1 4.4Å; F36-L62 HydrophobicContact CZ-CD1 3.9Å; I58-L62 HydrophobicContact CG2-CD1 3.62Å; I58-L62 HydrophobicContact CG2-CG 4.35Å; I58-L62 WeakPolarHBondContact O-CG 3.38Å; I58-L62 PolarHBondContact O-N 3.37Å; V60-L62 PolarHBondContact O-N 3.21Å; L62-T65 PolarHBondContact O-N 3.02Å; L62-Y66 WeakPolarHBondContact O-CB 3.29Å; L62-Y66 PolarHBondContact O-N 3.44Å; L62-M77 VanDerWaalsContact O-CE 3.3Å; L62-M77 WeakPolarHBondContact O-CE 3.46Å; L62-L81 HydrophobicContact CB-CD1 3.68Å; L62-L81 HydrophobicContact CB-CD2 4.02Å; L62-L81 HydrophobicContact CD1-CD2 3.65Å; L62-L81 HydrophobicContact CG-CD2 4.43Å; L62-L187 HydrophobicContact CD2-CD2 3.67Å; L62-L187 HydrophobicContact CG-CD2 4.19Å; L62-L306 HydrophobicContact CD1-CD1 4.44Å; L62-L306 HydrophobicContact CD1-CD2 3.49Å; L62-L306 VanDerWaalsContact CD1-CD2 3.49Å; L62-L306 HydrophobicContact CD2-CD1 3.72Å; L62-L306 HydrophobicContact CD2-CD2 4.19Å; L62-L306 HydrophobicContact CG-CD2 4.45Å; L62-M314 HydrophobicContact CD2-CE 4.19Å
63G95.6Very high95.8Very high0 Ų08.3 Ų8.30%06%0.056CC..Hα-helixtrans-67.6-40.7176.100000112.6L59 V60 A61 T65 Y66 V67 Y139L59-G63 WeakPolarHBondContact O-CA 3.26Å; L59-G63 PolarHBondContact O-N 2.8Å; V60-G63 PolarHBondContact O-N 3.11Å; A61-G63 VanDerWaalsContact C-N 3.34Å; A61-G63 PolarHBondContact O-N 2.73Å; G63-T65 VanDerWaalsContact C-N 3.35Å; G63-Y66 WeakPolarHBondContact O-CB 3.48Å; G63-Y66 PolarHBondContact O-N 3Å; G63-V67 WeakPolarHBondContact O-CG2 3.26Å; G63-V67 PolarHBondContact O-N 3.48Å; G63-V67 VanDerWaalsContact O-N 3.12Å; G63-Y139 VanDerWaalsContact C-CE1 3.46Å; G63-Y139 PolarHBondContact O-OH 3.09Å
64M94.8Very high95.9Very high0 Ų09.4 Ų9.40%06%0.06CC..Hα-helixtrans-65.5-38.5172.259.9-178.9-172.900111.6V60 A61 Y66 V67 N117 L119 I135 Y139 A141 L187V60-M64 PolarHBondContact O-N 3.27Å; A61-M64 HydrophobicContact CB-CE 4.03Å; A61-M64 WeakPolarHBondContact O-CG 3.48Å; M64-Y66 VanDerWaalsContact C-N 3.35Å; M64-Y66 PolarHBondContact O-N 3.02Å; M64-V67 WeakPolarHBondContact O-CB 3.48Å; M64-V67 PolarHBondContact O-N 2.93Å; M64-N117 HydrophobicContact CE-CB 4.27Å; M64-N117 HydrophobicContact SD-CB 4.44Å; M64-L119 HydrophobicContact CE-CD2 4.23Å; M64-L119 HydrophobicContact CE-CG 3.95Å; M64-L119 HydrophobicContact CG-CD1 4.39Å; M64-L119 HydrophobicContact CG-CG 4.37Å; M64-L119 HydrophobicContact SD-CG 4.25Å; M64-I135 HydrophobicContact CB-CB 4.22Å; M64-I135 HydrophobicContact CB-CG2 3.82Å; M64-Y139 HydrophobicContact CB-CD2 4.4Å; M64-Y139 HydrophobicContact CB-CG 4.19Å; M64-A141 HydrophobicContact SD-CB 3.58Å; M64-A141 VanDerWaalsContact SD-CB 3.58Å; M64-L187 HydrophobicContact CE-CD1 3.38Å
65T96.8Very high96Very high0 Ų014.2 Ų14.20%09%0.085CC..Hα-helixtrans-63.5-39.9171.9-51.70000111.8A61 L62 G63 V67 G68 S69 M77 M314 F322 V333A61-T65 PolarHBondContact O-N 3.02Å; A61-T65 PolarHBondContact O-OG1 2.66Å; A61-T65 VanDerWaalsContact O-OG1 3.09Å; L62-T65 PolarHBondContact O-N 3.02Å; G63-T65 VanDerWaalsContact C-N 3.35Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.34Å; T65-G68 PolarHBondContact O-N 3.31Å; T65-S69 PolarHBondContact O-N 3.46Å; T65-M77 HydrophobicContact CG2-CE 3.86Å; T65-M77 HydrophobicContact CG2-SD 4.5Å; T65-M314 HydrophobicContact CG2-CE 4.14Å; T65-F322 HydrophobicContact CG2-CD1 4.36Å; T65-F322 HydrophobicContact CG2-CE1 3.43Å; T65-F322 VanDerWaalsContact CG2-CE1 3.43Å; T65-F322 HydrophobicContact CG2-CZ 3.65Å; T65-V333 HydrophobicContact CG2-CG2 4.08Å
66Y97.6Very high96.1Very high1 Ų115.8 Ų15.80%0.0049%0.092CC..Hα-helixtrans-60.2-36.2176.4170.4-106.2000112.3L62 G63 M64 G68 S69 R74 M77 K78 F82 D88 I91L62-Y66 WeakPolarHBondContact O-CB 3.29Å; L62-Y66 PolarHBondContact O-N 3.44Å; G63-Y66 WeakPolarHBondContact O-CB 3.48Å; G63-Y66 PolarHBondContact O-N 3Å; M64-Y66 VanDerWaalsContact C-N 3.35Å; M64-Y66 PolarHBondContact O-N 3.02Å; Y66-G68 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-N 3.48Å; Y66-S69 VanDerWaalsContact O-N 3.11Å; Y66-S69 PolarHBondContact O-OG 3.4Å; Y66-R74 HydrophobicContact CD2-CG 4.27Å; Y66-R74 HydrophobicContact CE2-CG 3.55Å; Y66-R74 PolarHBondContact O-NH1 2.9Å; Y66-R74 PolarHBondContact OH-NH2 2.8Å; Y66-M77 HydrophobicContact CD2-CB 3.8Å; Y66-K78 HydrophobicContact CE2-CB 3.79Å; Y66-F82 HydrophobicContact CD1-CE2 4.05Å; Y66-F82 HydrophobicContact CG-CE2 4.18Å; Y66-D88 PolarHBondContact OH-OD1 3.23Å; Y66-I91 HydrophobicContact CD1-CG2 4.37Å; Y66-I91 HydrophobicContact CE1-CD1 3.89Å; Y66-I91 HydrophobicContact CE1-CG2 4.17Å
67V97.1Very high96.4Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-56.9-35.7176170.80000111.7G63 M64 T65 F131 R134 I135 Y139G63-V67 WeakPolarHBondContact O-CG2 3.26Å; G63-V67 PolarHBondContact O-N 3.48Å; G63-V67 VanDerWaalsContact O-N 3.12Å; M64-V67 WeakPolarHBondContact O-CB 3.48Å; M64-V67 PolarHBondContact O-N 2.93Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 3.34Å; V67-F131 HydrophobicContact CB-CD2 4.46Å; V67-F131 HydrophobicContact CB-CE2 4.11Å; V67-F131 HydrophobicContact CG1-CD2 3.85Å; V67-F131 HydrophobicContact CG1-CE2 3.99Å; V67-R134 HydrophobicContact CG1-CB 3.69Å; V67-I135 HydrophobicContact CB-CG2 4.04Å; V67-I135 HydrophobicContact CG1-CG2 4.01Å; V67-I135 HydrophobicContact CG2-CG2 4.38Å; V67-Y139 HydrophobicContact CG2-CD2 4.28Å; V67-Y139 HydrophobicContact CG2-CE2 3.5Å
68G97.1Very high96.5Very high0 Ų017.7 Ų17.70%010%0.101CC..Hα-helixtrans-82-14.5179.500000115T65 Y66 F322 K324T65-G68 PolarHBondContact O-N 3.31Å; Y66-G68 PolarHBondContact O-N 3.4Å; G68-F322 CarbonylContact O-C 3.47Å; G68-F322 VanDerWaalsContact O-C 3.25Å; G68-F322 VanDerWaalsContact O-CA 3.28Å; G68-F322 WeakPolarHBondContact O-CA 3.39Å; G68-K324 VanDerWaalsContact O-CB 3.29Å; G68-K324 WeakPolarHBondContact O-CB 3.48Å; G68-K324 PolarHBondContact O-N 2.93Å; G68-K324 VanDerWaalsContact O-N 3.15Å
69S98.1Very high96.6Very high0 Ų020.2 Ų20.20%012%0.118CC..  trans-81.3149.5-174.470.20000114.5T65 Y66 R74 N321 K324T65-S69 PolarHBondContact O-N 3.46Å; Y66-S69 PolarHBondContact O-N 3.48Å; Y66-S69 VanDerWaalsContact O-N 3.11Å; Y66-S69 PolarHBondContact O-OG 3.4Å; S69-R74 PolarHBondContact O-NH1 2.77Å; S69-R74 WeakPolarHBondContact OG-CA 3.32Å; S69-R74 WeakPolarHBondContact OG-CB 3.38Å; S69-R74 PolarHBondContact OG-NH1 2.84Å; S69-N321 CarbonylContact C-O 3.6Å; S69-N321 WeakPolarHBondContact CA-O 3.18Å; S69-K324 WeakPolarHBondContact O-CD 3.5Å; S69-K324 WeakPolarHBondContact O-CE 3.46Å
70S98Very high96.6Very high33 Ų3323.6 Ų23.623%0.23113%0.133CC..  trans-135.5175.8171.1-153.80000111.8R74 N321S70-R74 PolarHBondContact O-N 2.96Å; S70-N321 WeakPolarHBondContact CB-OD1 3.45Å; S70-N321 PolarHBondContact N-O 3.31Å
71G97.4Very high96.7Very high37 Ų3723.5 Ų23.538%0.38113%0.132SC..Hα-helixtrans54-141.517500000115R74 L75G71-R74 WeakPolarHBondContact O-CB 3.37Å; G71-R74 PolarHBondContact O-N 2.8Å; G71-L75 PolarHBondContact O-N 3.05Å
72N97.9Very high96.6Very high90 Ų9023.5 Ų23.548%0.48113%0.132SC..Hα-helixtrans-65.9-36.6-178.2-162.552.1000112.9R74 L75 Q76 D313N72-R74 VanDerWaalsContact C-N 3.26Å; N72-R74 PolarHBondContact O-N 2.85Å; N72-L75 PolarHBondContact O-N 2.81Å; N72-Q76 PolarHBondContact ND2-NE2 2.84Å; N72-Q76 PolarHBondContact O-N 2.78Å; N72-D313 WeakPolarHBondContact CB-OD2 2.95Å; N72-D313 PolarHBondContact ND2-OD2 3Å
73T98.4Very high96.1Very high2 Ų225.1 Ų25.11%0.01214%0.14CC..Hα-helixtrans-52.9-46.7172.6-48.30000110.8L75 Q76 M77 M314 N321 F322T73-L75 PolarHBondContact O-N 2.91Å; T73-Q76 PolarHBondContact O-N 3.39Å; T73-M77 HydrophobicContact CG2-SD 4.34Å; T73-M77 WeakPolarHBondContact O-CB 3.36Å; T73-M77 VanDerWaalsContact O-CG 3.26Å; T73-M77 WeakPolarHBondContact O-CG 3.39Å; T73-M77 PolarHBondContact O-N 3.5Å; T73-M314 HydrophobicContact CG2-CB 3.94Å; T73-N321 PolarHBondContact OG1-N 2.82Å; T73-F322 HydrophobicContact CG2-CE1 4.24Å; T73-F322 HydrophobicContact CG2-CE2 4.32Å; T73-F322 HydrophobicContact CG2-CZ 3.91Å
74R97.7Very high95.6Very high24 Ų2428.9 Ų28.99%0.09117%0.166CC..Hα-helixtrans-62.3-42.3176.3-175.4176.2-162.964.712.6112.8Y66 S69 S70 G71 N72 K78 D88Y66-R74 HydrophobicContact CD2-CG 4.27Å; Y66-R74 HydrophobicContact CE2-CG 3.55Å; Y66-R74 PolarHBondContact O-NH1 2.9Å; Y66-R74 PolarHBondContact OH-NH2 2.8Å; S69-R74 PolarHBondContact O-NH1 2.77Å; S69-R74 WeakPolarHBondContact OG-CA 3.32Å; S69-R74 WeakPolarHBondContact OG-CB 3.38Å; S69-R74 PolarHBondContact OG-NH1 2.84Å; S70-R74 PolarHBondContact O-N 2.96Å; G71-R74 WeakPolarHBondContact O-CB 3.37Å; G71-R74 PolarHBondContact O-N 2.8Å; N72-R74 VanDerWaalsContact C-N 3.26Å; N72-R74 PolarHBondContact O-N 2.85Å; R74-K78 WeakPolarHBondContact O-CB 3.45Å; R74-K78 PolarHBondContact O-N 3.01Å; R74-D88 IonicContact CZ-OD1 2.76Å; R74-D88 IonicContact CZ-OD2 2.84Å; R74-D88 IonicContact NE-OD1 2.75Å; R74-D88 IonicContact NE-OD2 3.53Å; R74-D88 IonicContact NH2-OD1 2.93Å; R74-D88 PolarHBondContact NH2-OD1 3.09Å; R74-D88 IonicContact NH2-OD2 2.82Å; R74-D88 PolarHBondContact NH2-OD2 3.11Å
75L97.2Very high95.2Very high100 Ų10032.6 Ų32.652%0.52419%0.192SC..Hα-helixtrans-65.4-45.4-179.6-67.6175.8000111.6G71 N72 T73 K78 S79G71-L75 PolarHBondContact O-N 3.05Å; N72-L75 PolarHBondContact O-N 2.81Å; T73-L75 PolarHBondContact O-N 2.91Å; L75-K78 PolarHBondContact O-N 3.38Å; L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.7Å; L75-S79 PolarHBondContact O-OG 2.74Å
76Q97.3Very high94.9Very high35 Ų3532.8 Ų32.816%0.16419%0.193CC..Hα-helixtrans-56.5-55.1173.1-74.9-175.71100110.4N72 T73 K78 S79 K80 T312 D313N72-Q76 PolarHBondContact ND2-NE2 2.84Å; N72-Q76 PolarHBondContact O-N 2.78Å; T73-Q76 PolarHBondContact O-N 3.39Å; Q76-K78 PolarHBondContact O-N 3.37Å; Q76-S79 PolarHBondContact O-N 3.13Å; Q76-S79 PolarHBondContact O-OG 3.29Å; Q76-K80 WeakPolarHBondContact O-CG 3.45Å; Q76-K80 PolarHBondContact O-N 3.27Å; Q76-T312 PolarHBondContact OE1-OG1 3.45Å; Q76-D313 PolarHBondContact NE2-OD1 2.83Å; Q76-D313 PolarHBondContact NE2-OD2 2.61Å; Q76-D313 VanDerWaalsContact OE1-N 3.1Å
77M97.9Very high94.6Very high1 Ų141.3 Ų41.31%0.00523%0.225CC..Hα-helixtrans-56.1-49.4179.6-70-174.786.400112.4L62 T65 Y66 T73 S79 K80 L81 L311 M314 F322L62-M77 VanDerWaalsContact O-CE 3.3Å; L62-M77 WeakPolarHBondContact O-CE 3.46Å; T65-M77 HydrophobicContact CG2-CE 3.86Å; T65-M77 HydrophobicContact CG2-SD 4.5Å; Y66-M77 HydrophobicContact CD2-CB 3.8Å; T73-M77 HydrophobicContact CG2-SD 4.34Å; T73-M77 WeakPolarHBondContact O-CB 3.36Å; T73-M77 VanDerWaalsContact O-CG 3.26Å; T73-M77 WeakPolarHBondContact O-CG 3.39Å; T73-M77 PolarHBondContact O-N 3.5Å; M77-S79 VanDerWaalsContact C-N 3.34Å; M77-S79 PolarHBondContact O-N 3.25Å; M77-K80 PolarHBondContact O-N 3.34Å; M77-L81 HydrophobicContact CB-CD1 4.18Å; M77-L81 HydrophobicContact CE-CD1 4.07Å; M77-L81 VanDerWaalsContact O-CB 3.23Å; M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 WeakPolarHBondContact O-CG 3.38Å; M77-L81 PolarHBondContact O-N 3.41Å; M77-L311 HydrophobicContact CB-CD2 4.37Å; M77-L311 HydrophobicContact CG-CD2 4.01Å; M77-M314 HydrophobicContact CE-CE 4.48Å; M77-M314 HydrophobicContact CE-SD 4.45Å; M77-F322 HydrophobicContact SD-CE1 4.19Å; M77-F322 HydrophobicContact SD-CZ 4.44Å
78K96Very high94.4Very high44 Ų4443.9 Ų43.919%0.19124%0.239CC..Hα-helixtrans-58.4-47.4179.3-173.2174.458152.60111.6Y66 R74 L75 Q76 K80 F82 E83 S84 L86 I91Y66-K78 HydrophobicContact CE2-CB 3.79Å; R74-K78 WeakPolarHBondContact O-CB 3.45Å; R74-K78 PolarHBondContact O-N 3.01Å; L75-K78 PolarHBondContact O-N 3.38Å; Q76-K78 PolarHBondContact O-N 3.37Å; K78-K80 VanDerWaalsContact C-N 3.32Å; K78-K80 PolarHBondContact O-N 2.98Å; K78-F82 PolarHBondContact O-N 3.46Å; K78-F82 VanDerWaalsContact O-N 3.08Å; K78-E83 PolarHBondContact O-N 3.13Å; K78-S84 WeakPolarHBondContact CE-O 3.44Å; K78-S84 PolarHBondContact NZ-O 2.98Å; K78-L86 WeakPolarHBondContact CD-O 3.48Å; K78-I91 HydrophobicContact CD-CD1 4.16Å; K78-I91 HydrophobicContact CG-CD1 4.02Å
79S95.1Very high94.1Very high52 Ų5246.4 Ų46.436%0.36427%0.265SS..Hα-helixtrans-63.7-36.3-176.9740000113L75 Q76 M77L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.7Å; L75-S79 PolarHBondContact O-OG 2.74Å; Q76-S79 PolarHBondContact O-N 3.13Å; Q76-S79 PolarHBondContact O-OG 3.29Å; M77-S79 VanDerWaalsContact C-N 3.34Å; M77-S79 PolarHBondContact O-N 3.25Å
80K95.6Very high93.8Very high73 Ų7348.1 Ų48.132%0.31727%0.273SS..Hα-helixtrans-88.5-27.4-176.6-59.1-55.9-176155.40113.8R39 Q76 M77 K78 L309 L311R39-K80 VanDerWaalsContact CZ-O 3.29Å; R39-K80 PolarHBondContact NH1-O 3.2Å; R39-K80 PolarHBondContact NH2-O 3.37Å; Q76-K80 WeakPolarHBondContact O-CG 3.45Å; Q76-K80 PolarHBondContact O-N 3.27Å; M77-K80 PolarHBondContact O-N 3.34Å; K78-K80 VanDerWaalsContact C-N 3.32Å; K78-K80 PolarHBondContact O-N 2.98Å; K80-L309 WeakPolarHBondContact CD-O 3.49Å; K80-L309 WeakPolarHBondContact CE-O 3.32Å; K80-L309 PolarHBondContact NZ-O 3.11Å; K80-L309 VanDerWaalsContact NZ-O 3.1Å; K80-L311 HydrophobicContact CB-CD2 3.85Å; K80-L311 HydrophobicContact CB-CG 4.24Å; K80-L311 HydrophobicContact CG-CD2 4.01Å; K80-L311 HydrophobicContact CG-CG 4.39Å
81L95.2Very high93.5Very high1 Ų146.5 Ų46.51%0.00526%0.262CS..Hα-helixtrans-97-39.7-174.9-58.1178.6000113.9F36 L59 L62 M77 L311F36-L81 HydrophobicContact CD2-CD2 4.09Å; F36-L81 HydrophobicContact CE2-CD2 3.46Å; F36-L81 VanDerWaalsContact CE2-CD2 3.46Å; F36-L81 HydrophobicContact CZ-CD2 4.08Å; L59-L81 HydrophobicContact CD1-CB 3.9Å; L59-L81 HydrophobicContact CD1-CD2 4.15Å; L59-L81 HydrophobicContact CD1-CG 4.48Å; L62-L81 HydrophobicContact CB-CD1 3.68Å; L62-L81 HydrophobicContact CB-CD2 4.02Å; L62-L81 HydrophobicContact CD1-CD2 3.65Å; L62-L81 HydrophobicContact CG-CD2 4.43Å; M77-L81 HydrophobicContact CB-CD1 4.18Å; M77-L81 HydrophobicContact CE-CD1 4.07Å; M77-L81 VanDerWaalsContact O-CB 3.23Å; M77-L81 WeakPolarHBondContact O-CB 3.46Å; M77-L81 WeakPolarHBondContact O-CG 3.38Å; M77-L81 PolarHBondContact O-N 3.41Å; L81-L311 HydrophobicContact CD2-CD1 4.19Å
82F91.3Very high93.3Very high0 Ų045.6 Ų45.60%025%0.248CC..THydrogen-bonded Turntrans-133.1-2-163.3-56.9-64.3000115.6L59 Y66 K78 L86 I91 L94 M95L59-F82 HydrophobicContact CD1-CD1 4.32Å; L59-F82 HydrophobicContact CD1-CE1 3.66Å; L59-F82 HydrophobicContact CD1-CZ 3.97Å; L59-F82 HydrophobicContact CD2-CE1 4.19Å; L59-F82 HydrophobicContact CG-CE1 3.97Å; L59-F82 HydrophobicContact CG-CZ 4.45Å; Y66-F82 HydrophobicContact CD1-CE2 4.05Å; Y66-F82 HydrophobicContact CG-CE2 4.18Å; K78-F82 PolarHBondContact O-N 3.46Å; K78-F82 VanDerWaalsContact O-N 3.08Å; F82-L86 HydrophobicContact CB-CD1 4.24Å; F82-L86 WeakPolarHBondContact O-CD1 3.48Å; F82-L86 WeakPolarHBondContact O-CG 3.5Å; F82-I91 HydrophobicContact CB-CD1 3.94Å; F82-I91 HydrophobicContact CB-CG1 4.01Å; F82-I91 HydrophobicContact CD1-CG2 4.03Å; F82-I91 HydrophobicContact CD2-CD1 3.95Å; F82-I91 HydrophobicContact CD2-CG1 4.33Å; F82-I91 HydrophobicContact CD2-CG2 3.67Å; F82-I91 HydrophobicContact CE1-CG2 4.06Å; F82-I91 HydrophobicContact CE2-CG2 3.69Å; F82-I91 HydrophobicContact CG-CD1 4.14Å; F82-I91 HydrophobicContact CG-CG1 4.15Å; F82-I91 HydrophobicContact CG-CG2 3.85Å; F82-I91 HydrophobicContact CZ-CG2 3.89Å; F82-L94 HydrophobicContact CD1-CD2 4.36Å; F82-M95 HydrophobicContact CE1-CG 3.87Å; F82-M95 HydrophobicContact CE1-SD 3.62Å; F82-M95 HydrophobicContact CZ-CG 4.16Å; F82-M95 HydrophobicContact CZ-SD 4.3Å
83E86Confident92.9Very high35 Ų3544 Ų4416%0.16424%0.244CC..  trans77.2139.7-163.4-49.4-176.5167.600114.8M27 I32 K78 S85 L86M27-E83 WeakPolarHBondContact CB-OE1 3.43Å; M27-E83 VanDerWaalsContact CG-OE1 3.25Å; M27-E83 WeakPolarHBondContact CG-OE1 2.87Å; I32-E83 HydrophobicContact CD1-CG 4.13Å; I32-E83 HydrophobicContact CG1-CG 4Å; I32-E83 HydrophobicContact CG2-CG 4.46Å; K78-E83 PolarHBondContact O-N 3.13Å; E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 2.98Å; E83-L86 PolarHBondContact O-N 3.17Å
84S85.5Confident92.4Very high79 Ų7944.9 Ų44.955%0.55225%0.248SC*.THydrogen-bonded Turntrans-66.4-29.6-175.154.70000114K78 L86K78-S84 WeakPolarHBondContact CE-O 3.44Å; K78-S84 PolarHBondContact NZ-O 2.98Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.13Å
85S87.2Confident92.1Very high77 Ų7743.8 Ų43.854%0.53824%0.244SC..THydrogen-bonded Turntrans-73.8-16.3-178.3450000114.2E83E83-S85 VanDerWaalsContact C-N 3.31Å; E83-S85 PolarHBondContact O-N 2.98Å
86L89.3Confident91.7Very high5 Ų539.5 Ų39.53%0.02622%0.223CC..  trans-72137.3178.7-69.7-165.6000112.1L25 I32 K78 F82 E83 S84 Q90 I91 L94L25-L86 HydrophobicContact CD1-CD2 4.32Å; L25-L86 HydrophobicContact CD2-CD2 3.52Å; L25-L86 HydrophobicContact CG-CD2 3.77Å; I32-L86 HydrophobicContact CD1-CD1 3.93Å; K78-L86 WeakPolarHBondContact CD-O 3.48Å; F82-L86 HydrophobicContact CB-CD1 4.24Å; F82-L86 WeakPolarHBondContact O-CD1 3.48Å; F82-L86 WeakPolarHBondContact O-CG 3.5Å; E83-L86 PolarHBondContact O-N 3.17Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 3.13Å; L86-Q90 HydrophobicContact CD2-CB 4.46Å; L86-I91 HydrophobicContact CB-CD1 4.08Å; L86-I91 HydrophobicContact CB-CG1 3.78Å; L86-I91 HydrophobicContact CD1-CG1 4.04Å; L86-L94 HydrophobicContact CD1-CD2 4.41Å
87R92Very high91.2Very high179 Ų17939.6 Ų39.668%0.67523%0.227SC*.  trans-82153.4169.3-61.8179.6-67.9-174.82.5110.3G89 Q90 I91R87-G89 VanDerWaalsContact C-N 3.27Å; R87-G89 PolarHBondContact O-N 3.25Å; R87-Q90 VanDerWaalsContact N-OE1 3.07Å; R87-Q90 WeakPolarHBondContact O-CA 3.11Å; R87-Q90 WeakPolarHBondContact O-CB 3.44Å; R87-Q90 PolarHBondContact O-N 2.85Å; R87-I91 PolarHBondContact O-N 2.65Å
88D92.4Very high90.7Very high55 Ų5539.6 Ų39.629%0.29423%0.227SC..Hα-helixtrans-54.4-40.9179.2-75.9-10.8000113.4Y66 R74 Q90 I91 N92Y66-D88 PolarHBondContact OH-OD1 3.23Å; R74-D88 IonicContact CZ-OD1 2.76Å; R74-D88 IonicContact CZ-OD2 2.84Å; R74-D88 IonicContact NE-OD1 2.75Å; R74-D88 IonicContact NE-OD2 3.53Å; R74-D88 IonicContact NH2-OD1 2.93Å; R74-D88 PolarHBondContact NH2-OD1 3.09Å; R74-D88 IonicContact NH2-OD2 2.82Å; R74-D88 PolarHBondContact NH2-OD2 3.11Å; D88-Q90 VanDerWaalsContact C-N 3.28Å; D88-Q90 PolarHBondContact O-N 2.86Å; D88-I91 PolarHBondContact O-N 2.92Å; D88-N92 WeakPolarHBondContact O-CB 3.24Å; D88-N92 PolarHBondContact O-N 2.88Å; D88-N92 PolarHBondContact O-ND2 3.41Å; D88-N92 VanDerWaalsContact O-ND2 3.08Å
89G91.3Very high90.3Very high53 Ų5338 Ų3855%0.54622%0.221SC..Hα-helixtrans-61.8-35.717600000113R87 S93R87-G89 VanDerWaalsContact C-N 3.27Å; R87-G89 PolarHBondContact O-N 3.25Å; G89-S93 WeakPolarHBondContact O-CB 3.28Å; G89-S93 PolarHBondContact O-N 2.99Å; G89-S93 VanDerWaalsContact O-N 3.07Å
90Q90.9Very high89.7Confident35 Ų3541.6 Ų41.616%0.16423%0.23CC..Hα-helixtrans-69.1-49.1175.9-66.7168.1-77.200109.9I21 L86 R87 D88 N92 S93 L94I21-Q90 HydrophobicContact CG2-CG 4.41Å; L86-Q90 HydrophobicContact CD2-CB 4.46Å; R87-Q90 VanDerWaalsContact N-OE1 3.07Å; R87-Q90 WeakPolarHBondContact O-CA 3.11Å; R87-Q90 WeakPolarHBondContact O-CB 3.44Å; R87-Q90 PolarHBondContact O-N 2.85Å; D88-Q90 VanDerWaalsContact C-N 3.28Å; D88-Q90 PolarHBondContact O-N 2.86Å; Q90-N92 VanDerWaalsContact C-N 3.34Å; Q90-N92 PolarHBondContact O-N 2.95Å; Q90-S93 PolarHBondContact O-N 3.06Å; Q90-L94 WeakPolarHBondContact O-CB 3.19Å; Q90-L94 PolarHBondContact O-N 2.9Å
91I92.8Very high88.9Confident0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-57.7-44.9177.1-60.9170000111.2Y66 K78 F82 L86 R87 D88 S93 L94 M95Y66-I91 HydrophobicContact CD1-CG2 4.37Å; Y66-I91 HydrophobicContact CE1-CD1 3.89Å; Y66-I91 HydrophobicContact CE1-CG2 4.17Å; K78-I91 HydrophobicContact CD-CD1 4.16Å; K78-I91 HydrophobicContact CG-CD1 4.02Å; F82-I91 HydrophobicContact CB-CD1 3.94Å; F82-I91 HydrophobicContact CB-CG1 4.01Å; F82-I91 HydrophobicContact CD1-CG2 4.03Å; F82-I91 HydrophobicContact CD2-CD1 3.95Å; F82-I91 HydrophobicContact CD2-CG1 4.33Å; F82-I91 HydrophobicContact CD2-CG2 3.67Å; F82-I91 HydrophobicContact CE1-CG2 4.06Å; F82-I91 HydrophobicContact CE2-CG2 3.69Å; F82-I91 HydrophobicContact CG-CD1 4.14Å; F82-I91 HydrophobicContact CG-CG1 4.15Å; F82-I91 HydrophobicContact CG-CG2 3.85Å; F82-I91 HydrophobicContact CZ-CG2 3.89Å; L86-I91 HydrophobicContact CB-CD1 4.08Å; L86-I91 HydrophobicContact CB-CG1 3.78Å; L86-I91 HydrophobicContact CD1-CG1 4.04Å; R87-I91 PolarHBondContact O-N 2.65Å; D88-I91 PolarHBondContact O-N 2.92Å; I91-S93 PolarHBondContact O-N 2.99Å; I91-L94 VanDerWaalsContact O-CB 3.29Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.26Å; I91-M95 HydrophobicContact CG2-CG 4.38Å; I91-M95 WeakPolarHBondContact O-CB 3.17Å; I91-M95 WeakPolarHBondContact O-CG 3.46Å; I91-M95 PolarHBondContact O-N 2.9Å
92N92Very high88Confident18 Ų1839.6 Ų39.610%0.09623%0.225CC..Hα-helixtrans-65.9-37.9179.7-66.4-28.4000112.3D88 Q90 S96 H138D88-N92 WeakPolarHBondContact O-CB 3.24Å; D88-N92 PolarHBondContact O-N 2.88Å; D88-N92 PolarHBondContact O-ND2 3.41Å; D88-N92 VanDerWaalsContact O-ND2 3.08Å; Q90-N92 VanDerWaalsContact C-N 3.34Å; Q90-N92 PolarHBondContact O-N 2.95Å; N92-S96 WeakPolarHBondContact O-CB 3.38Å; N92-S96 PolarHBondContact O-N 2.84Å; N92-H138 PolarHBondContact O-ND1 2.61Å
93S90Very high86.7Confident56 Ų5644.5 Ų44.539%0.39225%0.252SS..Hα-helixtrans-67.4-46.2176-170.60000111G89 Q90 I91 S96 S97G89-S93 WeakPolarHBondContact O-CB 3.28Å; G89-S93 PolarHBondContact O-N 2.99Å; G89-S93 VanDerWaalsContact O-N 3.07Å; Q90-S93 PolarHBondContact O-N 3.06Å; I91-S93 PolarHBondContact O-N 2.99Å; S93-S96 PolarHBondContact O-N 2.76Å; S93-S97 WeakPolarHBondContact O-CB 3.23Å; S93-S97 PolarHBondContact O-N 3.35Å
94L87.4Confident85.5Confident21 Ų2144.5 Ų44.511%0.1125%0.25CS..Hα-helixtrans-51.1-58.8176-16685.5000111.1L29 F82 L86 Q90 I91 S96 S97 A98L29-L94 HydrophobicContact CB-CD1 3.29Å; L29-L94 HydrophobicContact CB-CG 4.28Å; L29-L94 HydrophobicContact CD1-CD1 3.36Å; L29-L94 HydrophobicContact CD1-CD2 3.68Å; L29-L94 HydrophobicContact CD1-CG 3.29Å; L29-L94 HydrophobicContact CD2-CD1 3.43Å; L29-L94 VanDerWaalsContact CD2-CD1 3.43Å; L29-L94 HydrophobicContact CD2-CG 3.78Å; L29-L94 HydrophobicContact CG-CD1 3.42Å; L29-L94 VanDerWaalsContact CG-CD1 3.42Å; L29-L94 HydrophobicContact CG-CG 3.88Å; F82-L94 HydrophobicContact CD1-CD2 4.36Å; L86-L94 HydrophobicContact CD1-CD2 4.41Å; Q90-L94 WeakPolarHBondContact O-CB 3.19Å; Q90-L94 PolarHBondContact O-N 2.9Å; I91-L94 VanDerWaalsContact O-CB 3.29Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.26Å; L94-S96 PolarHBondContact O-N 2.94Å; L94-S97 PolarHBondContact O-N 2.95Å; L94-A98 VanDerWaalsContact O-CB 3.25Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3Å
95M90.8Very high84Confident0 Ų045.4 Ų45.40%026%0.256CS..Hα-helixtrans-69.4-34.4-177.2-66-52.5-67.300112.5F56 L59 V60 F82 I91 T99 H138 Y139F56-M95 HydrophobicContact CE2-CE 4.18Å; F56-M95 HydrophobicContact CZ-CE 4.18Å; L59-M95 HydrophobicContact CD2-CE 4.37Å; L59-M95 HydrophobicContact CD2-SD 4.24Å; L59-M95 HydrophobicContact CG-CE 4.04Å; L59-M95 HydrophobicContact CG-SD 4.36Å; V60-M95 HydrophobicContact CB-CE 4.41Å; V60-M95 HydrophobicContact CG2-CE 3.78Å; F82-M95 HydrophobicContact CE1-CG 3.87Å; F82-M95 HydrophobicContact CE1-SD 3.62Å; F82-M95 HydrophobicContact CZ-CG 4.16Å; F82-M95 HydrophobicContact CZ-SD 4.3Å; I91-M95 HydrophobicContact CG2-CG 4.38Å; I91-M95 WeakPolarHBondContact O-CB 3.17Å; I91-M95 WeakPolarHBondContact O-CG 3.46Å; I91-M95 PolarHBondContact O-N 2.9Å; M95-T99 VanDerWaalsContact O-CB 3.25Å; M95-T99 WeakPolarHBondContact O-CB 3.47Å; M95-T99 PolarHBondContact O-N 3Å; M95-T99 PolarHBondContact O-OG1 3.45Å; M95-H138 CarbonylContact C-O 3.5Å; M95-Y139 HydrophobicContact CB-CD1 4.14Å; M95-Y139 HydrophobicContact CB-CE1 3.44Å; M95-Y139 VanDerWaalsContact CB-CE1 3.44Å; M95-Y139 HydrophobicContact CE-CD1 4.3Å; M95-Y139 HydrophobicContact CE-CE1 3.81Å; M95-Y139 HydrophobicContact CG-CE1 3.63Å
96S90.8Very high82.4Confident11 Ų1144.2 Ų44.28%0.07724%0.244CC..Hα-helixtrans-66.4-44.2176.6-166.30000112N92 S93 L94 K100 R137 H138N92-S96 WeakPolarHBondContact O-CB 3.38Å; N92-S96 PolarHBondContact O-N 2.84Å; S93-S96 PolarHBondContact O-N 2.76Å; L94-S96 PolarHBondContact O-N 2.94Å; S96-K100 VanDerWaalsContact O-CB 3.29Å; S96-K100 WeakPolarHBondContact O-CB 3.2Å; S96-K100 WeakPolarHBondContact O-CD 3.27Å; S96-K100 WeakPolarHBondContact O-CG 3.45Å; S96-K100 PolarHBondContact O-N 3.41Å; S96-K100 VanDerWaalsContact O-N 3.09Å; S96-K100 PolarHBondContact OG-NZ 2.95Å; S96-R137 PolarHBondContact OG-O 3.45Å; S96-H138 WeakPolarHBondContact CA-O 3.23Å; S96-H138 PolarHBondContact N-O 3.04Å
97S86.6Confident81Confident37 Ų3748.7 Ų48.726%0.25927%0.272SS..Hα-helixtrans-65.2-45.9176.8-174.30000111.4F14 S93 L94 S101F14-S97 WeakPolarHBondContact CD2-OG 3.42Å; F14-S97 VanDerWaalsContact CE2-OG 3.25Å; F14-S97 WeakPolarHBondContact CE2-OG 3.47Å; S93-S97 WeakPolarHBondContact O-CB 3.23Å; S93-S97 PolarHBondContact O-N 3.35Å; L94-S97 PolarHBondContact O-N 2.95Å; S97-S101 PolarHBondContact O-N 3.42Å
98A86.7Confident79.4Confident0 Ų049.1 Ų49.10%028%0.279CS..Hα-helixtrans-62.4-48179.400000112.5F56 L94 S101 L102 I390F56-A98 HydrophobicContact CE2-CB 3.62Å; F56-A98 HydrophobicContact CZ-CB 3.41Å; F56-A98 VanDerWaalsContact CZ-CB 3.41Å; L94-A98 VanDerWaalsContact O-CB 3.25Å; L94-A98 WeakPolarHBondContact O-CB 3.45Å; L94-A98 PolarHBondContact O-N 3Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 2.89Å; A98-S101 PolarHBondContact O-OG 3.06Å; A98-L102 PolarHBondContact O-N 2.77Å; A98-I390 HydrophobicContact CB-CD1 3.49Å; A98-I390 VanDerWaalsContact CB-CD1 3.49Å
99T86.8Confident78.2Confident11 Ų1150 Ų507%0.06728%0.281CS..Hα-helixtrans-66.8-42.4-179.4-50.30000111.7M95 S101 L102 N103 Y139M95-T99 VanDerWaalsContact O-CB 3.25Å; M95-T99 WeakPolarHBondContact O-CB 3.47Å; M95-T99 PolarHBondContact O-N 3Å; M95-T99 PolarHBondContact O-OG1 3.45Å; T99-S101 PolarHBondContact O-N 3.21Å; T99-L102 PolarHBondContact O-N 2.98Å; T99-N103 PolarHBondContact O-N 3.24Å; T99-Y139 WeakPolarHBondContact CG2-O 3.41Å
100K84Confident77.2Confident128 Ų12848.4 Ų48.456%0.55726%0.264SS*.Hα-helixtrans-62.4-31.1175.4-74.5172-179.8167.20112.7S96 L102S96-K100 VanDerWaalsContact O-CB 3.29Å; S96-K100 WeakPolarHBondContact O-CB 3.2Å; S96-K100 WeakPolarHBondContact O-CD 3.27Å; S96-K100 WeakPolarHBondContact O-CG 3.45Å; S96-K100 PolarHBondContact O-N 3.41Å; S96-K100 VanDerWaalsContact O-N 3.09Å; S96-K100 PolarHBondContact OG-NZ 2.95Å; K100-L102 PolarHBondContact O-N 3.48Å
101S78.7Confident76.6Confident27 Ų2747.2 Ų47.219%0.18926%0.258CS..Hα-helixtrans-68.6-21.5175.480.70000112.9S97 A98 T99 Y104 N388S97-S101 PolarHBondContact O-N 3.42Å; A98-S101 WeakPolarHBondContact O-CB 3.46Å; A98-S101 PolarHBondContact O-N 2.89Å; A98-S101 PolarHBondContact O-OG 3.06Å; T99-S101 PolarHBondContact O-N 3.21Å; S101-Y104 WeakPolarHBondContact O-CD2 3.23Å; S101-Y104 WeakPolarHBondContact O-CE1 3.44Å; S101-Y104 WeakPolarHBondContact O-CE2 3.48Å; S101-Y104 PolarHBondContact O-OH 3.45Å; S101-N388 WeakPolarHBondContact CB-ND2 3.23Å; S101-N388 PolarHBondContact OG-ND2 3.27Å
102L75.9Confident76.1Confident4 Ų449.4 Ų49.42%0.02127%0.268CS..THydrogen-bonded Turntrans-100.7-0.3-178.9-66.9-174.9000114.5F56 A98 T99 K100 Y104 I115 L392F56-L102 HydrophobicContact CD1-CD1 3.13Å; F56-L102 HydrophobicContact CD1-CG 4.45Å; F56-L102 HydrophobicContact CE1-CD1 3.22Å; F56-L102 HydrophobicContact CE1-CG 4.25Å; F56-L102 HydrophobicContact CG-CD1 4.17Å; F56-L102 HydrophobicContact CZ-CD1 4.31Å; A98-L102 PolarHBondContact O-N 2.77Å; T99-L102 PolarHBondContact O-N 2.98Å; K100-L102 PolarHBondContact O-N 3.48Å; L102-Y104 HydrophobicContact CD2-CD2 4.19Å; L102-Y104 HydrophobicContact CD2-CE2 4Å; L102-Y104 WeakPolarHBondContact O-CB 3.41Å; L102-Y104 PolarHBondContact O-N 2.88Å; L102-I115 HydrophobicContact CB-CD1 4.14Å; L102-I115 HydrophobicContact CD1-CD1 4.34Å; L102-L392 HydrophobicContact CD1-CD1 3.72Å; L102-L392 HydrophobicContact CD2-CD1 4.35Å
103N64.2Low75.7Confident104 Ų10448.8 Ų48.856%0.55627%0.265SS*.  trans-71.274173.7-83.2-13.1000109.9T99T99-N103 PolarHBondContact O-N 3.24Å
104Y60.2Low75.5Confident35 Ų3547.8 Ų47.814%0.13725%0.253CS..  trans-119.582.1-169.2-77.5-41.6000106.7S101 L102 Y111 L113 K249 N385S101-Y104 WeakPolarHBondContact O-CD2 3.23Å; S101-Y104 WeakPolarHBondContact O-CE1 3.44Å; S101-Y104 WeakPolarHBondContact O-CE2 3.48Å; S101-Y104 PolarHBondContact O-OH 3.45Å; L102-Y104 HydrophobicContact CD2-CD2 4.19Å; L102-Y104 HydrophobicContact CD2-CE2 4Å; L102-Y104 WeakPolarHBondContact O-CB 3.41Å; L102-Y104 PolarHBondContact O-N 2.88Å; Y104-Y111 WeakPolarHBondContact CA-OH 3.42Å; Y104-Y111 VanDerWaalsContact CB-CE2 3.5Å; Y104-Y111 WeakPolarHBondContact CB-OH 3.26Å; Y104-Y111 WeakPolarHBondContact CD1-OH 3.39Å; Y104-Y111 HydrophobicContact CG-CE2 4.29Å; Y104-Y111 WeakPolarHBondContact O-CE2 3.34Å; Y104-L113 HydrophobicContact CD2-CD2 4.04Å; Y104-L113 WeakPolarHBondContact O-CB 3.26Å; Y104-L113 VanDerWaalsContact O-O 3.12Å; Y104-K249 HydrophobicContact CE1-CD 3.78Å; Y104-N385 PolarHBondContact OH-ND2 2.75Å; Y104-N385 VanDerWaalsContact OH-ND2 3.17Å
105S54.7Low75.4Confident97 Ų9749.2 Ų49.268%0.67826%0.26SS*.  trans-120.583.8170640000107.6
106N53.9Low75.2Confident53 Ų5349.3 Ų49.328%0.28326%0.261SS..  trans-143.395.2175.4-164.77.4000110.8K108 E109N106-K108 PolarHBondContact O-N 3.45Å; N106-K108 VanDerWaalsContact OD1-CB 3.22Å; N106-K108 WeakPolarHBondContact OD1-CB 3.45Å; N106-K108 WeakPolarHBondContact OD1-CG 3.39Å; N106-K108 PolarHBondContact OD1-N 3.17Å; N106-E109 PolarHBondContact ND2-OE1 3.23Å; N106-E109 PolarHBondContact O-N 2.92Å
107T58.3Low75.2Confident98 Ų9849.8 Ų49.860%0.60126%0.262SS*.G310 helixtrans-56.2-21.6172.652.30000112.3E109 G110 E112T107-E109 PolarHBondContact O-N 2.92Å; T107-G110 PolarHBondContact O-N 3.23Å; T107-E112 HydrophobicContact CG2-CG 4.26Å
108K59.7Low75.6Confident189 Ų18950.2 Ų50.282%0.82226%0.259SS*.G310 helixtrans-68.7-18.3175.9-57.2-176.3176.1-177.10113.9N106N106-K108 PolarHBondContact O-N 3.45Å; N106-K108 VanDerWaalsContact OD1-CB 3.22Å; N106-K108 WeakPolarHBondContact OD1-CB 3.45Å; N106-K108 WeakPolarHBondContact OD1-CG 3.39Å; N106-K108 PolarHBondContact OD1-N 3.17Å
109E65.8Low76Confident74 Ų7450.2 Ų50.235%0.34626%0.259SS..G310 helixtrans-96.710-179.8-77.8175.2-142.300113.1N106 T107 Y111 K249N106-E109 PolarHBondContact ND2-OE1 3.23Å; N106-E109 PolarHBondContact O-N 2.92Å; T107-E109 PolarHBondContact O-N 2.92Å; E109-Y111 HydrophobicContact CB-CD1 3.75Å; E109-Y111 HydrophobicContact CB-CE1 3.44Å; E109-Y111 VanDerWaalsContact CB-CE1 3.44Å; E109-Y111 HydrophobicContact CG-CE1 4.43Å; E109-K249 IonicContact OE2-NZ 3.86Å; E109-K249 PolarHBondContact OE2-NZ 3.43Å
110G71.4Confident76.5Confident19 Ų1949.7 Ų49.720%0.19626%0.255CS..THydrogen-bonded Turntrans77.725.8177.600000114.2T107 D196T107-G110 PolarHBondContact O-N 3.23Å; G110-D196 VanDerWaalsContact O-CB 3.22Å; G110-D196 WeakPolarHBondContact O-CB 3.34Å; G110-D196 PolarHBondContact O-N 3.06Å
111Y77.9Confident77Confident10 Ų1043.7 Ų43.74%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-153.6157.6173.674.6-76.9000113.1Y104 E109 L113 K194 T247Y104-Y111 WeakPolarHBondContact CA-OH 3.42Å; Y104-Y111 VanDerWaalsContact CB-CE2 3.5Å; Y104-Y111 WeakPolarHBondContact CB-OH 3.26Å; Y104-Y111 WeakPolarHBondContact CD1-OH 3.39Å; Y104-Y111 HydrophobicContact CG-CE2 4.29Å; Y104-Y111 WeakPolarHBondContact O-CE2 3.34Å; E109-Y111 HydrophobicContact CB-CD1 3.75Å; E109-Y111 HydrophobicContact CB-CE1 3.44Å; E109-Y111 VanDerWaalsContact CB-CE1 3.44Å; E109-Y111 HydrophobicContact CG-CE1 4.43Å; Y111-L113 HydrophobicContact CD2-CB 4.17Å; Y111-L113 HydrophobicContact CE2-CB 4.15Å; Y111-K194 CarbonylContact C-O 3.48Å; Y111-K194 WeakPolarHBondContact CA-O 3.48Å; Y111-T247 HydrophobicContact CD1-CG2 2.91Å; Y111-T247 HydrophobicContact CE1-CG2 3.28Å; Y111-T247 HydrophobicContact CG-CG2 3.6Å
112E81.5Confident77.6Confident45 Ų4543.5 Ų43.521%0.2123%0.226CC..EExtended strand (participates in β ladder)trans-120.6117.8172.4-66.3171.2-130.500107.9T107 Y114 Y192 F193 K194T107-E112 HydrophobicContact CG2-CG 4.26Å; E112-Y114 HydrophobicContact CB-CE2 3.87Å; E112-Y114 HydrophobicContact CG-CE2 4.21Å; E112-Y192 HydrophobicContact CB-CD1 4.33Å; E112-Y192 HydrophobicContact CB-CE1 3.79Å; E112-Y192 WeakPolarHBondContact OE2-CE1 3.11Å; E112-F193 WeakPolarHBondContact O-CA 3.3Å; E112-K194 HydrophobicContact CB-CB 4.41Å; E112-K194 PolarHBondContact N-O 3.21Å; E112-K194 PolarHBondContact O-N 3.46Å
113L84.8Confident78Confident5 Ų544.5 Ų44.53%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-126.2110.5167.6175.860.6000108Y104 Y111 I115 I191 Y192 F193 L392Y104-L113 HydrophobicContact CD2-CD2 4.04Å; Y104-L113 WeakPolarHBondContact O-CB 3.26Å; Y104-L113 VanDerWaalsContact O-O 3.12Å; Y111-L113 HydrophobicContact CD2-CB 4.17Å; Y111-L113 HydrophobicContact CE2-CB 4.15Å; L113-I115 HydrophobicContact CD1-CD1 4.32Å; L113-I115 HydrophobicContact CD1-CG1 3.98Å; L113-I115 HydrophobicContact CD2-CD1 4.15Å; L113-I115 HydrophobicContact CG-CD1 4.2Å; L113-I115 HydrophobicContact CG-CG1 4.06Å; L113-I191 HydrophobicContact CD1-CD1 3.9Å; L113-I191 HydrophobicContact CD1-CG1 3.92Å; L113-Y192 WeakPolarHBondContact CA-O 3.36Å; L113-F193 HydrophobicContact CB-CD2 4.28Å; L113-F193 HydrophobicContact CD1-CB 4.27Å; L113-F193 HydrophobicContact CD1-CD2 4.08Å; L113-L392 HydrophobicContact CD1-CD2 3.99Å; L113-L392 HydrophobicContact CD2-CD2 3.97Å
114Y85.2Confident78.8Confident35 Ų3547 Ų4714%0.13724%0.242CC..EExtended strand (participates in β ladder)trans-113.6121.7176-56-57.3000108.7E112 K167 I191 Y192E112-Y114 HydrophobicContact CB-CE2 3.87Å; E112-Y114 HydrophobicContact CG-CE2 4.21Å; Y114-K167 HydrophobicContact CD1-CG 4.29Å; Y114-K167 HydrophobicContact CD2-CB 4.47Å; Y114-K167 HydrophobicContact CD2-CG 4.42Å; Y114-K167 HydrophobicContact CE1-CG 3.8Å; Y114-K167 HydrophobicContact CE2-CB 4.03Å; Y114-K167 HydrophobicContact CE2-CG 3.95Å; Y114-I191 VanDerWaalsContact O-CA 3.31Å; Y114-I191 WeakPolarHBondContact O-CA 3.32Å; Y114-Y192 AromaticContact CD2-CD1 3.57Å; Y114-Y192 HydrophobicContact CD2-CD1 3.57Å; Y114-Y192 HydrophobicContact CD2-CE1 4.17Å; Y114-Y192 HydrophobicContact CD2-CG 4.36Å; Y114-Y192 HydrophobicContact CE2-CD1 4.09Å; Y114-Y192 HydrophobicContact CE2-CE1 4.23Å; Y114-Y192 PolarHBondContact N-O 2.89Å; Y114-Y192 PolarHBondContact O-N 3.17Å
115I85.6Confident79.9Confident52 Ų5247.8 Ų47.827%0.26725%0.247SC..EExtended strand (participates in β ladder)trans-120118.9179.1-53.6176.4000107.7S57 L102 L113 N117 I191S57-I115 WeakPolarHBondContact OG-CG2 3.33Å; L102-I115 HydrophobicContact CB-CD1 4.14Å; L102-I115 HydrophobicContact CD1-CD1 4.34Å; L113-I115 HydrophobicContact CD1-CD1 4.32Å; L113-I115 HydrophobicContact CD1-CG1 3.98Å; L113-I115 HydrophobicContact CD2-CD1 4.15Å; L113-I115 HydrophobicContact CG-CD1 4.2Å; L113-I115 HydrophobicContact CG-CG1 4.06Å; I115-N117 WeakPolarHBondContact CG2-ND2 3.31Å; I115-I191 HydrophobicContact CD1-CD1 4.43Å; I115-I191 HydrophobicContact CG1-CD1 4.06Å; I115-I191 HydrophobicContact CG1-CG1 4.02Å
116A87.5Confident81.5Confident1 Ų150.4 Ų50.41%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-109.2111174.200000109.1W161 K165 T166 N189 A190A116-W161 HydrophobicContact CB-CH2 3.8Å; A116-W161 HydrophobicContact CB-CZ3 3.7Å; A116-K165 HydrophobicContact CB-CB 3.79Å; A116-K165 HydrophobicContact CB-CG 4.49Å; A116-T166 HydrophobicContact CB-CG2 4.34Å; A116-N189 WeakPolarHBondContact O-CA 3.22Å; A116-A190 HydrophobicContact CB-CB 3.94Å; A116-A190 PolarHBondContact N-O 3.02Å; A116-A190 PolarHBondContact O-N 3.48Å
117N89.5Confident83.5Confident21 Ų2149 Ų4911%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-125.6116.6176.9-80-55.9000109.5V60 M64 I115 N189V60-N117 HydrophobicContact CG1-CB 4.43Å; V60-N117 WeakPolarHBondContact CG1-ND2 3.36Å; M64-N117 HydrophobicContact CE-CB 4.27Å; M64-N117 HydrophobicContact SD-CB 4.44Å; I115-N117 WeakPolarHBondContact CG2-ND2 3.31Å; N117-N189 PolarHBondContact OD1-ND2 2.75Å
118R94.6Very high85.3Confident47 Ų4746.6 Ų46.618%0.17723%0.225CC..EExtended strand (participates in β ladder)trans-149.1146.8175.9-178.8162.7-72.5-159.10.8111.8F120 E144 W161 I188R118-F120 HydrophobicContact CB-CD2 4.39Å; R118-F120 HydrophobicContact CB-CE2 3.85Å; R118-F120 HydrophobicContact CB-CZ 4.22Å; R118-F120 HydrophobicContact CG-CD1 4.38Å; R118-F120 HydrophobicContact CG-CD2 4.02Å; R118-F120 HydrophobicContact CG-CE1 4.11Å; R118-F120 HydrophobicContact CG-CE2 3.7Å; R118-F120 HydrophobicContact CG-CG 4.38Å; R118-F120 HydrophobicContact CG-CZ 3.78Å; R118-E144 IonicContact CZ-OE2 3.74Å; R118-E144 IonicContact NH1-OE2 2.64Å; R118-E144 PolarHBondContact NH1-OE2 2.92Å; R118-W161 HydrophobicContact CB-CE3 4.44Å; R118-W161 HydrophobicContact CB-CH2 3.35Å; R118-W161 HydrophobicContact CB-CZ2 3.71Å; R118-W161 HydrophobicContact CB-CZ3 3.76Å; R118-W161 HydrophobicContact CG-CH2 4.42Å; R118-W161 HydrophobicContact CG-CZ2 4.38Å; R118-W161 VanDerWaalsContact NE-CZ2 3.32Å; R118-I188 PolarHBondContact N-O 2.93Å; R118-I188 PolarHBondContact O-N 3.01Å
119L95.8Very high87.1Confident0 Ų042.4 Ų42.40%022%0.217CC..EExtended strand (participates in β ladder)trans-93.9131.3162.5-69.7173000108.3M64 F131 D142 I143 E144 L185 L187M64-L119 HydrophobicContact CE-CD2 4.23Å; M64-L119 HydrophobicContact CE-CG 3.95Å; M64-L119 HydrophobicContact CG-CD1 4.39Å; M64-L119 HydrophobicContact CG-CG 4.37Å; M64-L119 HydrophobicContact SD-CG 4.25Å; L119-F131 HydrophobicContact CD1-CE1 4.12Å; L119-F131 HydrophobicContact CD1-CZ 3.63Å; L119-D142 PolarHBondContact N-O 3.22Å; L119-I143 HydrophobicContact CB-CB 4.02Å; L119-I143 HydrophobicContact CB-CD1 4.1Å; L119-I143 HydrophobicContact CB-CG1 3.83Å; L119-I143 VanDerWaalsContact O-CA 3.32Å; L119-I143 WeakPolarHBondContact O-CA 3.43Å; L119-E144 PolarHBondContact O-N 3.49Å; L119-L185 HydrophobicContact CB-CD1 4.11Å; L119-L185 HydrophobicContact CD2-CD1 4.2Å; L119-L185 HydrophobicContact CD2-CD2 4.39Å; L119-L185 HydrophobicContact CD2-CG 4.32Å; L119-L187 HydrophobicContact CD2-CB 4.5Å; L119-L187 HydrophobicContact CD2-CD1 3.53Å; L119-L187 HydrophobicContact CG-CD1 4.49Å
120F96.4Very high88.6Confident0 Ų042.3 Ų42.30%022%0.224CC..EExtended strand (participates in β ladder)trans-112.1116.4168.7-65.8-85.7000108.3R118 E144 L146 F148 I158 W161 L185 V186 I188R118-F120 HydrophobicContact CB-CD2 4.39Å; R118-F120 HydrophobicContact CB-CE2 3.85Å; R118-F120 HydrophobicContact CB-CZ 4.22Å; R118-F120 HydrophobicContact CG-CD1 4.38Å; R118-F120 HydrophobicContact CG-CD2 4.02Å; R118-F120 HydrophobicContact CG-CE1 4.11Å; R118-F120 HydrophobicContact CG-CE2 3.7Å; R118-F120 HydrophobicContact CG-CG 4.38Å; R118-F120 HydrophobicContact CG-CZ 3.78Å; F120-E144 CarbonylContact C-O 3.49Å; F120-E144 WeakPolarHBondContact CA-O 3.36Å; F120-E144 HydrophobicContact CD1-CB 3.94Å; F120-E144 HydrophobicContact CD1-CG 4.35Å; F120-E144 HydrophobicContact CE1-CB 4.11Å; F120-E144 HydrophobicContact CE1-CG 4.4Å; F120-E144 VanDerWaalsContact CE1-OE2 3.25Å; F120-E144 WeakPolarHBondContact CE1-OE2 3.47Å; F120-L146 HydrophobicContact CB-CD1 4.35Å; F120-L146 HydrophobicContact CD1-CD1 3.45Å; F120-L146 VanDerWaalsContact CD1-CD1 3.45Å; F120-L146 HydrophobicContact CD1-CG 3.92Å; F120-L146 HydrophobicContact CE1-CD1 3.98Å; F120-L146 HydrophobicContact CG-CD1 4.17Å; F120-F148 HydrophobicContact CB-CZ 4.04Å; F120-I158 HydrophobicContact CB-CD1 4.27Å; F120-I158 HydrophobicContact CD1-CG1 4.02Å; F120-I158 HydrophobicContact CD2-CD1 4.16Å; F120-I158 HydrophobicContact CD2-CG1 3.92Å; F120-I158 HydrophobicContact CD2-CG2 4.46Å; F120-I158 HydrophobicContact CE1-CG1 4.01Å; F120-I158 HydrophobicContact CE2-CB 4.45Å; F120-I158 HydrophobicContact CE2-CG1 3.94Å; F120-I158 HydrophobicContact CE2-CG2 4.05Å; F120-I158 HydrophobicContact CG-CD1 4.09Å; F120-I158 HydrophobicContact CG-CG1 3.93Å; F120-I158 HydrophobicContact CZ-CB 4.47Å; F120-I158 HydrophobicContact CZ-CG1 3.95Å; F120-I158 HydrophobicContact CZ-CG2 4.47Å; F120-W161 HydrophobicContact CE2-CE3 4.17Å; F120-W161 HydrophobicContact CE2-CZ3 4.47Å; F120-W161 HydrophobicContact CZ-CB 4.43Å; F120-W161 AromaticContact CZ-CD2 3.97Å; F120-W161 HydrophobicContact CZ-CD2 3.97Å; F120-W161 AromaticContact CZ-CE3 3.89Å; F120-W161 HydrophobicContact CZ-CE3 3.89Å; F120-W161 HydrophobicContact CZ-CG 4.19Å; F120-L185 CarbonylContact O-C 3.57Å; F120-L185 WeakPolarHBondContact O-CA 3.19Å; F120-V186 HydrophobicContact CB-CB 4.44Å; F120-V186 PolarHBondContact N-O 3.04Å; F120-V186 PolarHBondContact O-N 2.76Å; F120-I188 HydrophobicContact CD2-CB 4.27Å; F120-I188 HydrophobicContact CD2-CG1 3.57Å; F120-I188 HydrophobicContact CE2-CB 4.05Å; F120-I188 HydrophobicContact CE2-CG1 3.65Å
121G94.5Very high89.8Confident2 Ų241.5 Ų41.52%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-106159.1177.800000111.7E144 L145 L146 F148 S184G121-E144 PolarHBondContact N-O 2.94Å; G121-L145 CarbonylContact O-C 3.58Å; G121-L145 VanDerWaalsContact O-CA 3.26Å; G121-L145 WeakPolarHBondContact O-CA 3.44Å; G121-L146 PolarHBondContact O-N 3.13Å; G121-F148 VanDerWaalsContact C-CE2 3.46Å; G121-S184 CarbonylContact C-O 3.58Å; G121-S184 WeakPolarHBondContact CA-O 3.16Å
122Q92.5Very high90.7Very high22 Ų2245.9 Ų45.910%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-64140.4175.317951.3-27.200111.4Q125 L146 F148 S184Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 WeakPolarHBondContact O-CG 3.45Å; Q122-L146 CarbonylContact C-O 3.06Å; Q122-L146 PolarHBondContact OE1-O 2.89Å; Q122-F148 HydrophobicContact CB-CD2 3.76Å; Q122-F148 HydrophobicContact CB-CE2 4.12Å; Q122-F148 HydrophobicContact CG-CD2 4.4Å; Q122-F148 VanDerWaalsContact N-CE2 3.35Å; Q122-S184 PolarHBondContact N-O 2.84Å
123S83.6Confident91.4Very high26 Ų2650.8 Ų50.818%0.18225%0.253CS..THydrogen-bonded Turntrans-61.6165.7173.461.90000111.2Q125 L146 D147S123-Q125 PolarHBondContact O-N 3.33Å; S123-L146 PolarHBondContact N-O 2.82Å; S123-D147 VanDerWaalsContact OG-CA 3.24Å; S123-D147 WeakPolarHBondContact OG-CA 3.42Å; S123-D147 WeakPolarHBondContact OG-CB 3.25Å
124E81.9Confident91.9Very high156 Ų15653.7 Ų53.773%0.72926%0.263SS*.THydrogen-bonded Turntrans77-12.5-172.4-47.7165.8-166.600114.6K149E124-K149 IonicContact OE1-NZ 3.76Å; E124-K149 PolarHBondContact OE1-NZ 3.26Å; E124-K149 IonicContact OE2-NZ 2.61Å
125Q82.3Confident92.4Very high52 Ų5252 Ų5224%0.24326%0.257CS..  trans-79.5138175.1-64-65.2-33.100112.2Q122 S123 L145 T326 D330 L331Q122-Q125 WeakPolarHBondContact O-CB 3.49Å; Q122-Q125 WeakPolarHBondContact O-CG 3.45Å; S123-Q125 PolarHBondContact O-N 3.33Å; Q125-L145 WeakPolarHBondContact O-CD1 3.49Å; Q125-T326 HydrophobicContact CB-CG2 4.18Å; Q125-D330 PolarHBondContact OE1-OD2 3.06Å; Q125-L331 HydrophobicContact CG-CD2 4.29Å
126Q89.7Confident92.8Very high151 Ų15153.7 Ų53.771%0.70626%0.263SS*.  trans-90.7110.4170.5-172.417910.300110.3T326Q126-T326 VanDerWaalsContact O-CA 3.32Å; Q126-T326 WeakPolarHBondContact O-CA 3.25Å
127V94.9Very high93Very high23 Ų2361.8 Ų61.814%0.13929%0.293CS..  trans-77126.2173.4177.10000110.4F131 I143 L145V127-F131 HydrophobicContact CG1-CD1 3.92Å; V127-I143 HydrophobicContact CB-CG2 4.49Å; V127-I143 HydrophobicContact CG1-CG2 3.69Å; V127-I143 HydrophobicContact CG2-CD1 4.16Å; V127-I143 HydrophobicContact CG2-CG2 4.14Å; V127-L145 HydrophobicContact CG2-CD1 4.11Å; V127-L145 HydrophobicContact CG2-CD2 3.82Å; V127-L145 HydrophobicContact CG2-CG 4.19Å
128L96.6Very high93.2Very high49 Ų4962 Ų6226%0.25729%0.294SS..  trans-61.6127.9175.8-66.8177.2000110.9S130 F131 R132 I325L128-S130 PolarHBondContact O-N 3.37Å; L128-S130 VanDerWaalsContact O-N 3.11Å; L128-F131 HydrophobicContact CB-CB 4.36Å; L128-F131 WeakPolarHBondContact O-CB 3.43Å; L128-F131 PolarHBondContact O-N 2.89Å; L128-R132 PolarHBondContact O-N 3.36Å; L128-I325 WeakPolarHBondContact CB-O 3.48Å; L128-I325 WeakPolarHBondContact CG-O 3.34Å; L128-I325 PolarHBondContact N-O 3.45Å
129P97Very high93Very high100 Ų10060 Ų6065%0.64929%0.286SS*.Hα-helixtrans-57.1-31.1176.8-27.434.9000113.5F131 K133P129-F131 VanDerWaalsContact C-N 3.33Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-K133 VanDerWaalsContact O-CB 3.3Å; P129-K133 WeakPolarHBondContact O-CB 3.27Å; P129-K133 PolarHBondContact O-N 2.82Å
130S96.5Very high92.7Very high73 Ų7363.1 Ų63.151%0.5131%0.309SS..Hα-helixtrans-65.5-33.9177.162.30000112.7L128 R134L128-S130 PolarHBondContact O-N 3.37Å; L128-S130 VanDerWaalsContact O-N 3.11Å; S130-R134 WeakPolarHBondContact O-CD 3.33Å; S130-R134 VanDerWaalsContact O-CG 3.23Å; S130-R134 WeakPolarHBondContact O-CG 3.39Å; S130-R134 PolarHBondContact O-N 3.41Å
131F97Very high92.5Very high2 Ų263.4 Ų63.41%0.00931%0.31CS..Hα-helixtrans-68.3-56.4174.5176-110.2000111V67 L119 V127 L128 P129 K133 R134 I135 I143 K324 I325V67-F131 HydrophobicContact CB-CD2 4.46Å; V67-F131 HydrophobicContact CB-CE2 4.11Å; V67-F131 HydrophobicContact CG1-CD2 3.85Å; V67-F131 HydrophobicContact CG1-CE2 3.99Å; L119-F131 HydrophobicContact CD1-CE1 4.12Å; L119-F131 HydrophobicContact CD1-CZ 3.63Å; V127-F131 HydrophobicContact CG1-CD1 3.92Å; L128-F131 HydrophobicContact CB-CB 4.36Å; L128-F131 WeakPolarHBondContact O-CB 3.43Å; L128-F131 PolarHBondContact O-N 2.89Å; P129-F131 VanDerWaalsContact C-N 3.33Å; P129-F131 PolarHBondContact O-N 2.96Å; F131-K133 VanDerWaalsContact C-N 3.3Å; F131-K133 PolarHBondContact O-N 3.43Å; F131-R134 PolarHBondContact O-N 2.85Å; F131-I135 HydrophobicContact CD1-CD1 4.36Å; F131-I135 HydrophobicContact CD2-CG2 4.26Å; F131-I135 HydrophobicContact CE1-CD1 3.77Å; F131-I135 HydrophobicContact CE1-CG2 4.42Å; F131-I135 HydrophobicContact CE2-CG2 3.67Å; F131-I135 HydrophobicContact CZ-CD1 4.04Å; F131-I135 HydrophobicContact CZ-CG2 3.77Å; F131-I135 PolarHBondContact O-N 2.87Å; F131-I143 HydrophobicContact CD1-CG2 4.15Å; F131-I143 HydrophobicContact CE1-CB 4.19Å; F131-I143 HydrophobicContact CE1-CD1 4.1Å; F131-I143 HydrophobicContact CE1-CG2 3.91Å; F131-K324 WeakPolarHBondContact CB-O 3.16Å; F131-I325 HydrophobicContact CD1-CB 4.44Å; F131-I325 HydrophobicContact CD1-CG1 4.37Å; F131-I325 HydrophobicContact CD1-CG2 3.98Å; F131-I325 HydrophobicContact CD2-CG1 4.11Å; F131-I325 HydrophobicContact CE1-CD1 4.43Å; F131-I325 HydrophobicContact CE1-CG1 4.15Å; F131-I325 HydrophobicContact CE1-CG2 3.99Å; F131-I325 HydrophobicContact CE2-CD1 4.42Å; F131-I325 HydrophobicContact CE2-CG1 3.91Å; F131-I325 HydrophobicContact CG-CG1 4.35Å; F131-I325 HydrophobicContact CZ-CD1 4.08Å; F131-I325 HydrophobicContact CZ-CG1 3.92Å
132R96.3Very high92.4Very high101 Ų10165.2 Ų65.238%0.38132%0.32SS..Hα-helixtrans-52.8-48.2179.4179.2172.5-87.4166.91.3111.2L128 R134 I135 Q136 D142 I143L128-R132 PolarHBondContact O-N 3.36Å; R132-R134 VanDerWaalsContact C-N 3.29Å; R132-R134 PolarHBondContact O-N 3Å; R132-I135 VanDerWaalsContact O-CG1 3.28Å; R132-I135 WeakPolarHBondContact O-CG1 3.35Å; R132-I135 PolarHBondContact O-N 3.46Å; R132-Q136 HydrophobicContact CG-CG 4.32Å; R132-Q136 WeakPolarHBondContact O-CB 3.38Å; R132-Q136 VanDerWaalsContact O-CG 3.26Å; R132-Q136 WeakPolarHBondContact O-CG 3.43Å; R132-Q136 PolarHBondContact O-N 3.44Å; R132-D142 WeakPolarHBondContact CG-OD1 3.33Å; R132-D142 IonicContact CZ-OD1 3.72Å; R132-D142 IonicContact NE-OD1 2.87Å; R132-D142 PolarHBondContact NE-OD1 2.74Å; R132-D142 IonicContact NE-OD2 3.93Å; R132-D142 IonicContact NH2-OD1 3.85Å; R132-I143 PolarHBondContact NH2-O 2.73Å
133K96.8Very high92.5Very high149 Ų14964.3 Ų64.365%0.64832%0.316SS*.Hα-helixtrans-58.9-37.1177.5-173.9174.3-176.7173.90113P129 F131 R137P129-K133 VanDerWaalsContact O-CB 3.3Å; P129-K133 WeakPolarHBondContact O-CB 3.27Å; P129-K133 PolarHBondContact O-N 2.82Å; F131-K133 VanDerWaalsContact C-N 3.3Å; F131-K133 PolarHBondContact O-N 3.43Å; K133-R137 WeakPolarHBondContact O-CB 3.34Å; K133-R137 PolarHBondContact O-N 2.84Å; K133-R137 VanDerWaalsContact O-N 3.07Å
134R96Very high93.1Very high66 Ų6665.2 Ų65.225%0.24932%0.317CS..Hα-helixtrans-73.7-43.7-179.6-75.6174.870.9-156.5-3.8112V67 S130 F131 R132 R137 H138V67-R134 HydrophobicContact CG1-CB 3.69Å; S130-R134 WeakPolarHBondContact O-CD 3.33Å; S130-R134 VanDerWaalsContact O-CG 3.23Å; S130-R134 WeakPolarHBondContact O-CG 3.39Å; S130-R134 PolarHBondContact O-N 3.41Å; F131-R134 PolarHBondContact O-N 2.85Å; R132-R134 VanDerWaalsContact C-N 3.29Å; R132-R134 PolarHBondContact O-N 3Å; R134-R137 PolarHBondContact O-N 2.76Å; R134-H138 WeakPolarHBondContact O-CB 3.43Å; R134-H138 PolarHBondContact O-CD2 3Å; R134-H138 PolarHBondContact O-N 2.93Å
135I95Very high93.7Very high0 Ų060.7 Ų60.70%030%0.298CS..Hα-helixtrans-68.5-38.6178.362.8170.3000111.6M64 V67 F131 R132 R137 Y139 S140 A141 I143M64-I135 HydrophobicContact CB-CB 4.22Å; M64-I135 HydrophobicContact CB-CG2 3.82Å; V67-I135 HydrophobicContact CB-CG2 4.04Å; V67-I135 HydrophobicContact CG1-CG2 4.01Å; V67-I135 HydrophobicContact CG2-CG2 4.38Å; F131-I135 HydrophobicContact CD1-CD1 4.36Å; F131-I135 HydrophobicContact CD2-CG2 4.26Å; F131-I135 HydrophobicContact CE1-CD1 3.77Å; F131-I135 HydrophobicContact CE1-CG2 4.42Å; F131-I135 HydrophobicContact CE2-CG2 3.67Å; F131-I135 HydrophobicContact CZ-CD1 4.04Å; F131-I135 HydrophobicContact CZ-CG2 3.77Å; F131-I135 PolarHBondContact O-N 2.87Å; R132-I135 VanDerWaalsContact O-CG1 3.28Å; R132-I135 WeakPolarHBondContact O-CG1 3.35Å; R132-I135 PolarHBondContact O-N 3.46Å; I135-R137 PolarHBondContact O-N 3.1Å; I135-Y139 CarbonylContact O-C 3.25Å; I135-Y139 WeakPolarHBondContact O-CA 3.49Å; I135-Y139 WeakPolarHBondContact O-CB 3.2Å; I135-Y139 PolarHBondContact O-N 3.49Å; I135-S140 PolarHBondContact O-N 2.84Å; I135-A141 CarbonylContact C-O 3.54Å; I135-A141 PolarHBondContact O-N 3.49Å; I135-I143 HydrophobicContact CD1-CB 4.28Å; I135-I143 HydrophobicContact CD1-CG2 4.26Å
136Q93.7Very high94.4Very high87 Ų8759.1 Ų59.141%0.40729%0.291SS..Hα-helixtrans-61.4-45.6173-72172.4-14.900111.5R132 S140 A141 D142R132-Q136 HydrophobicContact CG-CG 4.32Å; R132-Q136 WeakPolarHBondContact O-CB 3.38Å; R132-Q136 VanDerWaalsContact O-CG 3.26Å; R132-Q136 WeakPolarHBondContact O-CG 3.43Å; R132-Q136 PolarHBondContact O-N 3.44Å; Q136-S140 WeakPolarHBondContact O-CA 3.29Å; Q136-S140 PolarHBondContact O-N 3.36Å; Q136-A141 VanDerWaalsContact CA-O 3.29Å; Q136-A141 WeakPolarHBondContact CA-O 3.19Å; Q136-A141 VanDerWaalsContact CG-O 3.24Å; Q136-A141 WeakPolarHBondContact CG-O 3.21Å; Q136-A141 PolarHBondContact N-O 3.16Å; Q136-D142 PolarHBondContact NE2-OD2 2.94Å
137R93.2Very high94.6Very high170 Ų17054.7 Ų54.764%0.64227%0.272SS*.Hα-helixtrans-68.1-42.9-178.8-178.8178.8-178.7174.62.4113.8S96 K133 R134 I135S96-R137 PolarHBondContact OG-O 3.45Å; K133-R137 WeakPolarHBondContact O-CB 3.34Å; K133-R137 PolarHBondContact O-N 2.84Å; K133-R137 VanDerWaalsContact O-N 3.07Å; R134-R137 PolarHBondContact O-N 2.76Å; I135-R137 PolarHBondContact O-N 3.1Å
138H92.6Very high94.6Very high27 Ų2753.6 Ų53.613%0.12527%0.265CS..Hα-helixtrans-100.8-20.9-168.8-61.9-61.2000114N92 M95 S96 R134N92-H138 PolarHBondContact O-ND1 2.61Å; M95-H138 CarbonylContact C-O 3.5Å; S96-H138 WeakPolarHBondContact CA-O 3.23Å; S96-H138 PolarHBondContact N-O 3.04Å; R134-H138 WeakPolarHBondContact O-CB 3.43Å; R134-H138 PolarHBondContact O-CD2 3Å; R134-H138 PolarHBondContact O-N 2.93Å
139Y91.7Very high94.5Very high3 Ų356.4 Ų56.41%0.01228%0.275CS..Hα-helixtrans-129.81.1-174.1-61-91.3000113.1V60 G63 M64 V67 M95 T99 I135 A141V60-Y139 HydrophobicContact CG1-CD1 4.14Å; G63-Y139 VanDerWaalsContact C-CE1 3.46Å; G63-Y139 PolarHBondContact O-OH 3.09Å; M64-Y139 HydrophobicContact CB-CD2 4.4Å; M64-Y139 HydrophobicContact CB-CG 4.19Å; V67-Y139 HydrophobicContact CG2-CD2 4.28Å; V67-Y139 HydrophobicContact CG2-CE2 3.5Å; M95-Y139 HydrophobicContact CB-CD1 4.14Å; M95-Y139 HydrophobicContact CB-CE1 3.44Å; M95-Y139 VanDerWaalsContact CB-CE1 3.44Å; M95-Y139 HydrophobicContact CE-CD1 4.3Å; M95-Y139 HydrophobicContact CE-CE1 3.81Å; M95-Y139 HydrophobicContact CG-CE1 3.63Å; T99-Y139 WeakPolarHBondContact CG2-O 3.41Å; I135-Y139 CarbonylContact O-C 3.25Å; I135-Y139 WeakPolarHBondContact O-CA 3.49Å; I135-Y139 WeakPolarHBondContact O-CB 3.2Å; I135-Y139 PolarHBondContact O-N 3.49Å; Y139-A141 PolarHBondContact O-N 3.05Å
140S89.6Confident94.5Very high67 Ų6757.1 Ų57.147%0.46927%0.27SS..SBendtrans50.832.6-175.5-66.20000112.7I135 Q136I135-S140 PolarHBondContact O-N 2.84Å; Q136-S140 WeakPolarHBondContact O-CA 3.29Å; Q136-S140 PolarHBondContact O-N 3.36Å
141A91.2Very high94.4Very high5 Ų555.2 Ų55.24%0.04126%0.255CS..  trans-120.6167.4-173.500000111M64 I135 Q136 Y139M64-A141 HydrophobicContact SD-CB 3.58Å; M64-A141 VanDerWaalsContact SD-CB 3.58Å; I135-A141 CarbonylContact C-O 3.54Å; I135-A141 PolarHBondContact O-N 3.49Å; Q136-A141 VanDerWaalsContact CA-O 3.29Å; Q136-A141 WeakPolarHBondContact CA-O 3.19Å; Q136-A141 VanDerWaalsContact CG-O 3.24Å; Q136-A141 WeakPolarHBondContact CG-O 3.21Å; Q136-A141 PolarHBondContact N-O 3.16Å; Y139-A141 PolarHBondContact O-N 3.05Å
142D91.6Very high94.3Very high40 Ų4059.9 Ų59.921%0.21429%0.288CS..EExtended strand (participates in β ladder)trans-138.2170.3174.8-146.2-27.1000110.8L119 R132 Q136L119-D142 PolarHBondContact N-O 3.22Å; R132-D142 WeakPolarHBondContact CG-OD1 3.33Å; R132-D142 IonicContact CZ-OD1 3.72Å; R132-D142 IonicContact NE-OD1 2.87Å; R132-D142 PolarHBondContact NE-OD1 2.74Å; R132-D142 IonicContact NE-OD2 3.93Å; R132-D142 IonicContact NH2-OD1 3.85Å; Q136-D142 PolarHBondContact NE2-OD2 2.94Å
143I95.2Very high94.3Very high3 Ų362 Ų622%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-115.5132.2168.2-177.5167.5000109.1L119 V127 F131 R132 I135 L185 I325L119-I143 HydrophobicContact CB-CB 4.02Å; L119-I143 HydrophobicContact CB-CD1 4.1Å; L119-I143 HydrophobicContact CB-CG1 3.83Å; L119-I143 VanDerWaalsContact O-CA 3.32Å; L119-I143 WeakPolarHBondContact O-CA 3.43Å; V127-I143 HydrophobicContact CB-CG2 4.49Å; V127-I143 HydrophobicContact CG1-CG2 3.69Å; V127-I143 HydrophobicContact CG2-CD1 4.16Å; V127-I143 HydrophobicContact CG2-CG2 4.14Å; F131-I143 HydrophobicContact CD1-CG2 4.15Å; F131-I143 HydrophobicContact CE1-CB 4.19Å; F131-I143 HydrophobicContact CE1-CD1 4.1Å; F131-I143 HydrophobicContact CE1-CG2 3.91Å; R132-I143 PolarHBondContact NH2-O 2.73Å; I135-I143 HydrophobicContact CD1-CB 4.28Å; I135-I143 HydrophobicContact CD1-CG2 4.26Å; I143-L185 HydrophobicContact CD1-CD1 4.19Å; I143-I325 HydrophobicContact CD1-CG2 3.96Å
144E95.8Very high94.3Very high46 Ų4655.1 Ų55.122%0.21527%0.271CS..EExtended strand (participates in β ladder)trans-112.1147.2173.2-176.4167.6-159.900109.6R118 L119 F120 G121 L146 H157R118-E144 IonicContact CZ-OE2 3.74Å; R118-E144 IonicContact NH1-OE2 2.64Å; R118-E144 PolarHBondContact NH1-OE2 2.92Å; L119-E144 PolarHBondContact O-N 3.49Å; F120-E144 CarbonylContact C-O 3.49Å; F120-E144 WeakPolarHBondContact CA-O 3.36Å; F120-E144 HydrophobicContact CD1-CB 3.94Å; F120-E144 HydrophobicContact CD1-CG 4.35Å; F120-E144 HydrophobicContact CE1-CB 4.11Å; F120-E144 HydrophobicContact CE1-CG 4.4Å; F120-E144 VanDerWaalsContact CE1-OE2 3.25Å; F120-E144 WeakPolarHBondContact CE1-OE2 3.47Å; G121-E144 PolarHBondContact N-O 2.94Å; E144-L146 HydrophobicContact CG-CD2 4.08Å; E144-H157 VanDerWaalsContact CD-NE2 3.26Å; E144-H157 IonicContact OE1-CE1 2.82Å; E144-H157 PolarHBondContact OE1-CE1 2.95Å; E144-H157 IonicContact OE1-NE2 3.44Å; E144-H157 PolarHBondContact OE1-NE2 3.37Å; E144-H157 IonicContact OE2-NE2 2.76Å; E144-H157 PolarHBondContact OE2-NE2 3.22Å
145L95.4Very high94.3Very high61 Ų6152.2 Ų52.232%0.31926%0.261SS..EExtended strand (participates in β ladder)trans-108.1127.7176.4-59.1179.6000108.7G121 Q125 V127G121-L145 CarbonylContact O-C 3.58Å; G121-L145 VanDerWaalsContact O-CA 3.26Å; G121-L145 WeakPolarHBondContact O-CA 3.44Å; Q125-L145 WeakPolarHBondContact O-CD1 3.49Å; V127-L145 HydrophobicContact CG2-CD1 4.11Å; V127-L145 HydrophobicContact CG2-CD2 3.82Å; V127-L145 HydrophobicContact CG2-CG 4.19Å
146L95.9Very high94.4Very high19 Ų1957.9 Ų57.910%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-125150.8179.1-58.9179.4000109.3F120 G121 Q122 S123 E144 F148 A154 I158F120-L146 HydrophobicContact CB-CD1 4.35Å; F120-L146 HydrophobicContact CD1-CD1 3.45Å; F120-L146 VanDerWaalsContact CD1-CD1 3.45Å; F120-L146 HydrophobicContact CD1-CG 3.92Å; F120-L146 HydrophobicContact CE1-CD1 3.98Å; F120-L146 HydrophobicContact CG-CD1 4.17Å; G121-L146 PolarHBondContact O-N 3.13Å; Q122-L146 CarbonylContact C-O 3.06Å; Q122-L146 PolarHBondContact OE1-O 2.89Å; S123-L146 PolarHBondContact N-O 2.82Å; E144-L146 HydrophobicContact CG-CD2 4.08Å; L146-F148 HydrophobicContact CB-CD1 4.26Å; L146-F148 HydrophobicContact CB-CE1 3.95Å; L146-F148 HydrophobicContact CD1-CE1 4.24Å; L146-F148 PolarHBondContact O-N 3.09Å; L146-A154 HydrophobicContact CB-CB 4.5Å; L146-A154 HydrophobicContact CD1-CB 4.48Å; L146-I158 HydrophobicContact CD1-CD1 4.11Å; L146-I158 HydrophobicContact CD1-CG1 3.77Å
147D95.4Very high94.6Very high58 Ų5857.1 Ų57.131%0.3128%0.284SS..  trans-82.4100.2170.4-170.8-1.4000110.3S123 K149 E150S123-D147 VanDerWaalsContact OG-CA 3.24Å; S123-D147 WeakPolarHBondContact OG-CA 3.42Å; S123-D147 WeakPolarHBondContact OG-CB 3.25Å; D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.35Å; D147-K149 WeakPolarHBondContact OD1-CG 3.01Å; D147-K149 PolarHBondContact OD1-N 3.04Å; D147-E150 PolarHBondContact O-N 3.27Å; D147-E150 VanDerWaalsContact O-N 3.14Å
148F95.3Very high94.8Very high0 Ų049 Ų490%025%0.253CS..THydrogen-bonded Turntrans-72.2-10.1177.9-62.1-42.3000113.7F120 G121 Q122 L146 T151 A154 I158 I179 T183 V186F120-F148 HydrophobicContact CB-CZ 4.04Å; G121-F148 VanDerWaalsContact C-CE2 3.46Å; Q122-F148 HydrophobicContact CB-CD2 3.76Å; Q122-F148 HydrophobicContact CB-CE2 4.12Å; Q122-F148 HydrophobicContact CG-CD2 4.4Å; Q122-F148 VanDerWaalsContact N-CE2 3.35Å; L146-F148 HydrophobicContact CB-CD1 4.26Å; L146-F148 HydrophobicContact CB-CE1 3.95Å; L146-F148 HydrophobicContact CD1-CE1 4.24Å; L146-F148 PolarHBondContact O-N 3.09Å; F148-T151 PolarHBondContact O-OG1 3.39Å; F148-T151 VanDerWaalsContact O-OG1 3.06Å; F148-A154 HydrophobicContact CD1-CB 3.77Å; F148-A154 HydrophobicContact CE1-CB 4.31Å; F148-I158 HydrophobicContact CE1-CD1 4.45Å; F148-I179 HydrophobicContact CB-CG2 3.85Å; F148-I179 HydrophobicContact CD1-CD1 4.48Å; F148-I179 HydrophobicContact CD1-CG2 3.58Å; F148-I179 HydrophobicContact CE1-CD1 4.27Å; F148-I179 HydrophobicContact CE1-CG2 4.38Å; F148-I179 HydrophobicContact CG-CG2 3.94Å; F148-T183 HydrophobicContact CD1-CG2 4.44Å; F148-T183 HydrophobicContact CD2-CG2 3.63Å; F148-T183 VanDerWaalsContact CD2-O 3.29Å; F148-T183 WeakPolarHBondContact CD2-O 3.37Å; F148-T183 HydrophobicContact CE1-CG2 4.49Å; F148-T183 HydrophobicContact CE2-CG2 3.66Å; F148-T183 HydrophobicContact CG-CG2 4.03Å; F148-T183 HydrophobicContact CZ-CG2 4.12Å; F148-V186 HydrophobicContact CZ-CG2 4.11Å
149K94.3Very high95Very high107 Ų10748.6 Ų48.647%0.46525%0.252SS..THydrogen-bonded Turntrans-66.6-32.4168.3-58.5167-176.8163.70110.3E124 D147 T151E124-K149 IonicContact OE1-NZ 3.76Å; E124-K149 PolarHBondContact OE1-NZ 3.26Å; E124-K149 IonicContact OE2-NZ 2.61Å; D147-K149 PolarHBondContact O-N 3.04Å; D147-K149 WeakPolarHBondContact OD1-CB 3.35Å; D147-K149 WeakPolarHBondContact OD1-CG 3.01Å; D147-K149 PolarHBondContact OD1-N 3.04Å; K149-T151 PolarHBondContact O-N 3.42Å; K149-T151 VanDerWaalsContact O-N 3.09Å
150E95.4Very high95.3Very high116 Ų11652.8 Ų52.854%0.54228%0.275SS..SBendtrans-84.260.9169.8-64.1-67.1133.400110.2D147 S152 K153 A154D147-E150 PolarHBondContact O-N 3.27Å; D147-E150 VanDerWaalsContact O-N 3.14Å; E150-S152 PolarHBondContact O-N 3.43Å; E150-K153 HydrophobicContact CB-CB 4.21Å; E150-K153 PolarHBondContact O-N 3.22Å; E150-K153 VanDerWaalsContact O-N 3.11Å; E150-A154 PolarHBondContact O-N 2.86Å
151T95.2Very high95.6Very high33 Ų3350.7 Ų50.720%0.20226%0.256CS..Hα-helixtrans-49-54.5-167.5-62.50000114.2F148 K149 K153 A154 C155 I179F148-T151 PolarHBondContact O-OG1 3.39Å; F148-T151 VanDerWaalsContact O-OG1 3.06Å; K149-T151 PolarHBondContact O-N 3.42Å; K149-T151 VanDerWaalsContact O-N 3.09Å; T151-K153 VanDerWaalsContact C-N 3.32Å; T151-K153 PolarHBondContact O-N 2.65Å; T151-A154 PolarHBondContact O-N 3.11Å; T151-C155 PolarHBondContact O-N 3.1Å; T151-I179 HydrophobicContact CG2-CB 4.16Å; T151-I179 HydrophobicContact CG2-CG2 4.36Å; T151-I179 WeakPolarHBondContact CG2-O 3.5Å
152S95.3Very high95.8Very high100 Ų10050.4 Ų50.470%0.69925%0.254SS*.Hα-helixtrans-61.2-41-178.1-55.70000112.3E150 C155 E156E150-S152 PolarHBondContact O-N 3.43Å; S152-C155 PolarHBondContact O-N 3Å; S152-E156 WeakPolarHBondContact O-CB 2.92Å; S152-E156 PolarHBondContact O-N 3.1Å
153K96.2Very high96Very high144 Ų14451.2 Ų51.263%0.62626%0.257SS*.Hα-helixtrans-68-37.4178.9-173.7178.9-179.11790111.8E150 T151 H157E150-K153 HydrophobicContact CB-CB 4.21Å; E150-K153 PolarHBondContact O-N 3.22Å; E150-K153 VanDerWaalsContact O-N 3.11Å; T151-K153 VanDerWaalsContact C-N 3.32Å; T151-K153 PolarHBondContact O-N 2.65Å; K153-H157 VanDerWaalsContact O-CB 3.31Å; K153-H157 WeakPolarHBondContact O-CB 3.3Å; K153-H157 PolarHBondContact O-N 3.44Å
154A96.5Very high96Very high5 Ų556.6 Ų56.64%0.04128%0.282CS..Hα-helixtrans-67.4-41.4175.100000111.8L146 F148 E150 T151 H157 I158 I179L146-A154 HydrophobicContact CB-CB 4.5Å; L146-A154 HydrophobicContact CD1-CB 4.48Å; F148-A154 HydrophobicContact CD1-CB 3.77Å; F148-A154 HydrophobicContact CE1-CB 4.31Å; E150-A154 PolarHBondContact O-N 2.86Å; T151-A154 PolarHBondContact O-N 3.11Å; A154-H157 PolarHBondContact O-N 2.6Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 3.04Å; A154-I158 VanDerWaalsContact O-N 3.09Å; A154-I179 HydrophobicContact CB-CG2 4.35Å
155C96.4Very high95.8Very high5 Ų558.1 Ų58.13%0.03429%0.288CS..Hα-helixtrans-59.8-50.8173.9-75.80000111.9T151 S152 H157 I158 N159 I174 E176 I179T151-C155 PolarHBondContact O-N 3.1Å; S152-C155 PolarHBondContact O-N 3Å; C155-H157 PolarHBondContact O-N 3.23Å; C155-I158 PolarHBondContact O-N 3.37Å; C155-N159 PolarHBondContact O-N 3.37Å; C155-I174 HydrophobicContact CB-CD1 4.48Å; C155-E176 PolarHBondContact SG-O 3.44Å; C155-I179 VanDerWaalsContact SG-CB 3.56Å; C155-I179 WeakPolarHBondContact SG-CG1 2.88Å
156E96.7Very high95.5Very high120 Ų12055.2 Ų55.256%0.56127%0.272SS*.Hα-helixtrans-56.8-49.1177.4-174.1179.3-162.500110.9S152 I158 N159 D160S152-E156 WeakPolarHBondContact O-CB 2.92Å; S152-E156 PolarHBondContact O-N 3.1Å; E156-I158 VanDerWaalsContact C-N 3.33Å; E156-I158 PolarHBondContact O-N 3.32Å; E156-N159 PolarHBondContact O-N 2.82Å; E156-D160 WeakPolarHBondContact O-CB 3.12Å; E156-D160 PolarHBondContact O-N 3.07Å
157H97.5Very high95.3Very high70 Ų7061.2 Ų61.232%0.32430%0.298SS..Hα-helixtrans-58.8-41.5178.9-176.995.8000113.2E144 K153 A154 C155 W161E144-H157 VanDerWaalsContact CD-NE2 3.26Å; E144-H157 IonicContact OE1-CE1 2.82Å; E144-H157 PolarHBondContact OE1-CE1 2.95Å; E144-H157 IonicContact OE1-NE2 3.44Å; E144-H157 PolarHBondContact OE1-NE2 3.37Å; E144-H157 IonicContact OE2-NE2 2.76Å; E144-H157 PolarHBondContact OE2-NE2 3.22Å; K153-H157 VanDerWaalsContact O-CB 3.31Å; K153-H157 WeakPolarHBondContact O-CB 3.3Å; K153-H157 PolarHBondContact O-N 3.44Å; A154-H157 PolarHBondContact O-N 2.6Å; C155-H157 PolarHBondContact O-N 3.23Å; H157-W161 WeakPolarHBondContact O-CB 3.24Å; H157-W161 PolarHBondContact O-N 2.83Å
158I97.2Very high95.1Very high0 Ų059.9 Ų59.90%030%0.298CS..Hα-helixtrans-66-46178-69.1169000110.4F120 L146 F148 A154 C155 E156 W161 V162 I174 I179 I188F120-I158 HydrophobicContact CB-CD1 4.27Å; F120-I158 HydrophobicContact CD1-CG1 4.02Å; F120-I158 HydrophobicContact CD2-CD1 4.16Å; F120-I158 HydrophobicContact CD2-CG1 3.92Å; F120-I158 HydrophobicContact CD2-CG2 4.46Å; F120-I158 HydrophobicContact CE1-CG1 4.01Å; F120-I158 HydrophobicContact CE2-CB 4.45Å; F120-I158 HydrophobicContact CE2-CG1 3.94Å; F120-I158 HydrophobicContact CE2-CG2 4.05Å; F120-I158 HydrophobicContact CG-CD1 4.09Å; F120-I158 HydrophobicContact CG-CG1 3.93Å; F120-I158 HydrophobicContact CZ-CB 4.47Å; F120-I158 HydrophobicContact CZ-CG1 3.95Å; F120-I158 HydrophobicContact CZ-CG2 4.47Å; L146-I158 HydrophobicContact CD1-CD1 4.11Å; L146-I158 HydrophobicContact CD1-CG1 3.77Å; F148-I158 HydrophobicContact CE1-CD1 4.45Å; A154-I158 VanDerWaalsContact O-CG1 3.32Å; A154-I158 WeakPolarHBondContact O-CG1 3.37Å; A154-I158 PolarHBondContact O-N 3.04Å; A154-I158 VanDerWaalsContact O-N 3.09Å; C155-I158 PolarHBondContact O-N 3.37Å; E156-I158 VanDerWaalsContact C-N 3.33Å; E156-I158 PolarHBondContact O-N 3.32Å; I158-W161 PolarHBondContact O-N 2.93Å; I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 2.89Å; I158-I174 HydrophobicContact CB-CD1 3.85Å; I158-I174 HydrophobicContact CD1-CD1 3.78Å; I158-I174 HydrophobicContact CG1-CD1 4.41Å; I158-I174 HydrophobicContact CG2-CD1 3.75Å; I158-I174 HydrophobicContact CG2-CG1 4.19Å; I158-I179 HydrophobicContact CD1-CD1 4.13Å; I158-I188 HydrophobicContact CG2-CD1 3.83Å; I158-I188 HydrophobicContact CG2-CG1 3.83Å
159N97.2Very high94.8Very high19 Ų1964.1 Ų64.110%0.10232%0.316CS..Hα-helixtrans-65.3-44.6179.8-78.7-25.5000111.8C155 E156 W161 V162 E163 L173 I174C155-N159 PolarHBondContact O-N 3.37Å; E156-N159 PolarHBondContact O-N 2.82Å; N159-W161 VanDerWaalsContact C-N 3.34Å; N159-W161 PolarHBondContact O-N 2.91Å; N159-V162 PolarHBondContact O-N 2.68Å; N159-E163 WeakPolarHBondContact O-CB 3.4Å; N159-E163 PolarHBondContact O-N 2.92Å; N159-L173 PolarHBondContact OD1-N 3.22Å; N159-I174 PolarHBondContact ND2-O 3.05Å; N159-I174 PolarHBondContact OD1-N 3.31Å
160D97.7Very high94.6Very high91 Ų9159.1 Ų59.149%0.48730%0.295SS..Hα-helixtrans-59.5-43.7174.8-78.7-8.8000111.8E156 V162 E163 E164E156-D160 WeakPolarHBondContact O-CB 3.12Å; E156-D160 PolarHBondContact O-N 3.07Å; D160-V162 PolarHBondContact O-N 3.19Å; D160-E163 PolarHBondContact O-N 3.37Å; D160-E164 WeakPolarHBondContact O-CB 3.34Å; D160-E164 PolarHBondContact O-N 2.92Å
161W97Very high94.5Very high22 Ų2258.2 Ų58.28%0.08329%0.289CS..Hα-helixtrans-62.2-43.4177.3178.387000111.7A116 R118 F120 H157 I158 N159 E164 K165 I188A116-W161 HydrophobicContact CB-CH2 3.8Å; A116-W161 HydrophobicContact CB-CZ3 3.7Å; R118-W161 HydrophobicContact CB-CE3 4.44Å; R118-W161 HydrophobicContact CB-CH2 3.35Å; R118-W161 HydrophobicContact CB-CZ2 3.71Å; R118-W161 HydrophobicContact CB-CZ3 3.76Å; R118-W161 HydrophobicContact CG-CH2 4.42Å; R118-W161 HydrophobicContact CG-CZ2 4.38Å; R118-W161 VanDerWaalsContact NE-CZ2 3.32Å; F120-W161 HydrophobicContact CE2-CE3 4.17Å; F120-W161 HydrophobicContact CE2-CZ3 4.47Å; F120-W161 HydrophobicContact CZ-CB 4.43Å; F120-W161 AromaticContact CZ-CD2 3.97Å; F120-W161 HydrophobicContact CZ-CD2 3.97Å; F120-W161 AromaticContact CZ-CE3 3.89Å; F120-W161 HydrophobicContact CZ-CE3 3.89Å; F120-W161 HydrophobicContact CZ-CG 4.19Å; H157-W161 WeakPolarHBondContact O-CB 3.24Å; H157-W161 PolarHBondContact O-N 2.83Å; I158-W161 PolarHBondContact O-N 2.93Å; N159-W161 VanDerWaalsContact C-N 3.34Å; N159-W161 PolarHBondContact O-N 2.91Å; W161-E164 PolarHBondContact O-N 3.47Å; W161-K165 HydrophobicContact CD2-CG 4.05Å; W161-K165 HydrophobicContact CH2-CG 4.18Å; W161-K165 HydrophobicContact CZ2-CD 4.5Å; W161-K165 HydrophobicContact CZ2-CG 3.67Å; W161-K165 VanDerWaalsContact O-CG 3.32Å; W161-K165 WeakPolarHBondContact O-CG 3.48Å; W161-K165 PolarHBondContact O-N 3.31Å; W161-I188 HydrophobicContact CZ3-CG2 4.28Å
162V94.9Very high94.4Very high0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-62.9-45175.7171.40000110.5I158 N159 D160 E164 K165 T166 I170 L173 I188 A190I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 2.89Å; N159-V162 PolarHBondContact O-N 2.68Å; D160-V162 PolarHBondContact O-N 3.19Å; V162-E164 VanDerWaalsContact C-N 3.35Å; V162-E164 PolarHBondContact O-N 3.43Å; V162-K165 PolarHBondContact O-N 2.82Å; V162-T166 HydrophobicContact CG1-CG2 4.33Å; V162-T166 WeakPolarHBondContact O-CB 3.3Å; V162-T166 VanDerWaalsContact O-CG2 3.29Å; V162-T166 WeakPolarHBondContact O-CG2 3.46Å; V162-T166 PolarHBondContact O-N 3.08Å; V162-T166 PolarHBondContact O-OG1 3.41Å; V162-I170 HydrophobicContact CG1-CB 4.06Å; V162-I170 HydrophobicContact CG1-CG2 3.76Å; V162-L173 HydrophobicContact CB-CB 4.49Å; V162-L173 HydrophobicContact CB-CD1 4.49Å; V162-L173 HydrophobicContact CG1-CB 4.13Å; V162-L173 HydrophobicContact CG1-CD1 3.8Å; V162-L173 HydrophobicContact CG2-CB 4.31Å; V162-L173 HydrophobicContact CG2-CD1 3.94Å; V162-I188 HydrophobicContact CG2-CG2 3.63Å; V162-A190 HydrophobicContact CG1-CB 3.64Å
163E95.9Very high94.2Very high57 Ų5757.7 Ų57.727%0.26628%0.277SS..Hα-helixtrans-60.2-45.6178.5-171172.417100111.1N159 D160 T166 K167 G168 I170 K171N159-E163 WeakPolarHBondContact O-CB 3.4Å; N159-E163 PolarHBondContact O-N 2.92Å; D160-E163 PolarHBondContact O-N 3.37Å; E163-T166 CarbonylContact O-C 3.59Å; E163-T166 PolarHBondContact O-N 3.15Å; E163-T166 PolarHBondContact O-OG1 2.95Å; E163-K167 PolarHBondContact O-N 3.33Å; E163-G168 PolarHBondContact O-N 3.25Å; E163-I170 VanDerWaalsContact CA-O 3.28Å; E163-I170 WeakPolarHBondContact CA-O 3.39Å; E163-K171 HydrophobicContact CG-CG 4.18Å; E163-K171 WeakPolarHBondContact OE1-CE 3.41Å; E163-K171 IonicContact OE1-NZ 2.65Å; E163-K171 PolarHBondContact OE1-NZ 3.08Å; E163-K171 IonicContact OE2-NZ 2.92Å
164E95.3Very high94.1Very high115 Ų11551 Ų5154%0.53725%0.248SC..Hα-helixtrans-60.2-49.5176.6-169.3-140.5127.600111.6D160 W161 V162 T166 K167D160-E164 WeakPolarHBondContact O-CB 3.34Å; D160-E164 PolarHBondContact O-N 2.92Å; W161-E164 PolarHBondContact O-N 3.47Å; V162-E164 VanDerWaalsContact C-N 3.35Å; V162-E164 PolarHBondContact O-N 3.43Å; E164-T166 PolarHBondContact O-N 2.94Å; E164-K167 PolarHBondContact O-N 3.04Å
165K91.1Very high93.9Very high78 Ų7853.9 Ų53.934%0.33927%0.266SS..Hα-helixtrans-68-22.8-179.4-65.7-45.6170.3-148.40113.4A116 W161 V162A116-K165 HydrophobicContact CB-CB 3.79Å; A116-K165 HydrophobicContact CB-CG 4.49Å; W161-K165 HydrophobicContact CD2-CG 4.05Å; W161-K165 HydrophobicContact CH2-CG 4.18Å; W161-K165 HydrophobicContact CZ2-CD 4.5Å; W161-K165 HydrophobicContact CZ2-CG 3.67Å; W161-K165 VanDerWaalsContact O-CG 3.32Å; W161-K165 WeakPolarHBondContact O-CG 3.48Å; W161-K165 PolarHBondContact O-N 3.31Å; V162-K165 PolarHBondContact O-N 2.82Å
166T90Very high93.4Very high0 Ų061.3 Ų61.30%030%0.301CS..THydrogen-bonded Turntrans-102.610176.965.80000113.3A116 V162 E163 E164 G168 K169 I170 A190A116-T166 HydrophobicContact CB-CG2 4.34Å; V162-T166 HydrophobicContact CG1-CG2 4.33Å; V162-T166 WeakPolarHBondContact O-CB 3.3Å; V162-T166 VanDerWaalsContact O-CG2 3.29Å; V162-T166 WeakPolarHBondContact O-CG2 3.46Å; V162-T166 PolarHBondContact O-N 3.08Å; V162-T166 PolarHBondContact O-OG1 3.41Å; E163-T166 CarbonylContact O-C 3.59Å; E163-T166 PolarHBondContact O-N 3.15Å; E163-T166 PolarHBondContact O-OG1 2.95Å; E164-T166 PolarHBondContact O-N 2.94Å; T166-G168 VanDerWaalsContact C-N 3.31Å; T166-G168 PolarHBondContact O-N 3.25Å; T166-K169 WeakPolarHBondContact O-CB 3.22Å; T166-K169 WeakPolarHBondContact O-CG 3.45Å; T166-K169 PolarHBondContact O-N 3.04Å; T166-K169 VanDerWaalsContact O-N 3.14Å; T166-I170 HydrophobicContact CG2-CB 4Å; T166-I170 HydrophobicContact CG2-CD1 4.05Å; T166-I170 HydrophobicContact CG2-CG1 4.08Å; T166-I170 PolarHBondContact OG1-N 2.57Å; T166-I170 PolarHBondContact OG1-O 3.31Å; T166-A190 HydrophobicContact CG2-CB 4.23Å
167K90.3Very high93Very high145 Ų14563 Ų6363%0.6331%0.309SS*.THydrogen-bonded Turntrans5641.3178.3-59.1-63.3-173.1-176.70113.2Y114 E163 E164 K169Y114-K167 HydrophobicContact CD1-CG 4.29Å; Y114-K167 HydrophobicContact CD2-CB 4.47Å; Y114-K167 HydrophobicContact CD2-CG 4.42Å; Y114-K167 HydrophobicContact CE1-CG 3.8Å; Y114-K167 HydrophobicContact CE2-CB 4.03Å; Y114-K167 HydrophobicContact CE2-CG 3.95Å; E163-K167 PolarHBondContact O-N 3.33Å; E164-K167 PolarHBondContact O-N 3.04Å; K167-K169 VanDerWaalsContact C-N 3.28Å; K167-K169 PolarHBondContact O-N 3.25Å
168G91.4Very high92.6Very high31 Ų3160.5 Ų60.532%0.3230%0.3SS..THydrogen-bonded Turntrans80.94.1179.600000114.6E163 T166 K171E163-G168 PolarHBondContact O-N 3.25Å; T166-G168 VanDerWaalsContact C-N 3.31Å; T166-G168 PolarHBondContact O-N 3.25Å; G168-K171 WeakPolarHBondContact O-CE 3.27Å
169K89.2Confident92.5Very high89 Ų8960.7 Ų60.739%0.38730%0.301SS..SBendtrans-87.7-28.5-172-59.2-61.3-178-174.40114T166 K167 Y192T166-K169 WeakPolarHBondContact O-CB 3.22Å; T166-K169 WeakPolarHBondContact O-CG 3.45Å; T166-K169 PolarHBondContact O-N 3.04Å; T166-K169 VanDerWaalsContact O-N 3.14Å; K167-K169 VanDerWaalsContact C-N 3.28Å; K167-K169 PolarHBondContact O-N 3.25Å; K169-Y192 HydrophobicContact CB-CD1 4.27Å; K169-Y192 HydrophobicContact CB-CD2 3.43Å; K169-Y192 VanDerWaalsContact CB-CD2 3.43Å; K169-Y192 HydrophobicContact CB-CE2 3.73Å; K169-Y192 HydrophobicContact CB-CG 3.7Å; K169-Y192 HydrophobicContact CD-CD2 4.39Å; K169-Y192 HydrophobicContact CD-CE1 4.34Å; K169-Y192 HydrophobicContact CD-CE2 3.79Å; K169-Y192 HydrophobicContact CG-CD1 4.06Å; K169-Y192 HydrophobicContact CG-CD2 3.88Å; K169-Y192 HydrophobicContact CG-CE1 3.92Å; K169-Y192 HydrophobicContact CG-CE2 3.75Å; K169-Y192 HydrophobicContact CG-CG 3.99Å
170I90Very high92.3Very high2 Ų263.4 Ų63.41%0.0132%0.315CS..SBendtrans-120.2120.9174.6-59.8-174.5000107.3V162 E163 T166 L173 A190 K339V162-I170 HydrophobicContact CG1-CB 4.06Å; V162-I170 HydrophobicContact CG1-CG2 3.76Å; E163-I170 VanDerWaalsContact CA-O 3.28Å; E163-I170 WeakPolarHBondContact CA-O 3.39Å; T166-I170 HydrophobicContact CG2-CB 4Å; T166-I170 HydrophobicContact CG2-CD1 4.05Å; T166-I170 HydrophobicContact CG2-CG1 4.08Å; T166-I170 PolarHBondContact OG1-N 2.57Å; T166-I170 PolarHBondContact OG1-O 3.31Å; I170-L173 HydrophobicContact CG2-CD1 4.43Å; I170-A190 HydrophobicContact CD1-CB 3.85Å; I170-A190 HydrophobicContact CG2-CB 4.32Å; I170-K339 HydrophobicContact CG2-CB 4.08Å; I170-K339 HydrophobicContact CG2-CD 3.53Å; I170-K339 HydrophobicContact CG2-CG 3.65Å
171K93.2Very high92.1Very high96 Ų9662.8 Ų62.842%0.41732%0.316SS..  trans-122.9159.8178.7-53.6-176.1-179.4-1150109.2E163 G168 L173 K339E163-K171 HydrophobicContact CG-CG 4.18Å; E163-K171 WeakPolarHBondContact OE1-CE 3.41Å; E163-K171 IonicContact OE1-NZ 2.65Å; E163-K171 PolarHBondContact OE1-NZ 3.08Å; E163-K171 IonicContact OE2-NZ 2.92Å; G168-K171 WeakPolarHBondContact O-CE 3.27Å; K171-L173 VanDerWaalsContact C-N 3.29Å; K171-L173 PolarHBondContact O-N 3.39Å; K171-K339 PolarHBondContact O-NZ 2.94Å; K171-K339 VanDerWaalsContact O-NZ 3.08Å
172D92.9Very high91.9Very high114 Ų11468.2 Ų68.261%0.6135%0.346SS*.  trans48.952.2171-46.9-51.9000111.4
173L92.4Very high91.8Very high9 Ų968.4 Ų68.45%0.04735%0.347CS..  trans-70.6-40.4-174.7179.5150.2000111.3N159 V162 I170 K171 I188 A190 F337 K339N159-L173 PolarHBondContact OD1-N 3.22Å; V162-L173 HydrophobicContact CB-CB 4.49Å; V162-L173 HydrophobicContact CB-CD1 4.49Å; V162-L173 HydrophobicContact CG1-CB 4.13Å; V162-L173 HydrophobicContact CG1-CD1 3.8Å; V162-L173 HydrophobicContact CG2-CB 4.31Å; V162-L173 HydrophobicContact CG2-CD1 3.94Å; I170-L173 HydrophobicContact CG2-CD1 4.43Å; K171-L173 VanDerWaalsContact C-N 3.29Å; K171-L173 PolarHBondContact O-N 3.39Å; L173-I188 HydrophobicContact CD1-CG2 4.12Å; L173-I188 HydrophobicContact CD2-CD1 3.83Å; L173-I188 HydrophobicContact CD2-CG2 3.98Å; L173-A190 HydrophobicContact CD1-CB 3.43Å; L173-A190 VanDerWaalsContact CD1-CB 3.43Å; L173-F337 HydrophobicContact CD2-CB 3.52Å; L173-F337 HydrophobicContact CD2-CG 4.33Å; L173-K339 HydrophobicContact CB-CD 4.4Å; L173-K339 HydrophobicContact CD1-CB 3.75Å; L173-K339 HydrophobicContact CG-CB 3.88Å
174I93.1Very high91.8Very high2 Ų266.2 Ų66.21%0.0134%0.338CS..SBendtrans-107.7139.1173.264173.7000110.3C155 I158 N159 A178 I179 I188 F337C155-I174 HydrophobicContact CB-CD1 4.48Å; I158-I174 HydrophobicContact CB-CD1 3.85Å; I158-I174 HydrophobicContact CD1-CD1 3.78Å; I158-I174 HydrophobicContact CG1-CD1 4.41Å; I158-I174 HydrophobicContact CG2-CD1 3.75Å; I158-I174 HydrophobicContact CG2-CG1 4.19Å; N159-I174 PolarHBondContact ND2-O 3.05Å; N159-I174 PolarHBondContact OD1-N 3.31Å; I174-A178 HydrophobicContact CB-CB 3.76Å; I174-A178 HydrophobicContact CD1-CB 4.22Å; I174-A178 HydrophobicContact CG1-CB 4.33Å; I174-I179 HydrophobicContact CD1-CD1 4.23Å; I174-I179 HydrophobicContact CD1-CG1 3.96Å; I174-I188 HydrophobicContact CG2-CD1 3.65Å; I174-F337 HydrophobicContact CB-CD2 4.49Å; I174-F337 HydrophobicContact CB-CE2 4.42Å; I174-F337 HydrophobicContact CB-CZ 4.49Å; I174-F337 HydrophobicContact CG2-CB 4.03Å; I174-F337 HydrophobicContact CG2-CD1 3.94Å; I174-F337 HydrophobicContact CG2-CD2 3.35Å; I174-F337 HydrophobicContact CG2-CE1 4.24Å; I174-F337 HydrophobicContact CG2-CE2 3.67Å; I174-F337 HydrophobicContact CG2-CG 3.5Å; I174-F337 VanDerWaalsContact CG2-CG 3.5Å; I174-F337 HydrophobicContact CG2-CZ 4.13Å
175P91.9Very high91.8Very high66 Ų6660.7 Ų60.743%0.42931%0.313SS..  trans-66.3159.1172.527.6-33.9000111.2E177 A178P175-E177 PolarHBondContact O-N 3.14Å; P175-A178 HydrophobicContact CG-CB 3.92Å; P175-A178 WeakPolarHBondContact O-CB 3.45Å; P175-A178 PolarHBondContact O-N 3.17Å
176E86.7Confident92Very high161 Ų16157 Ų5775%0.75230%0.296SS*.G310 helixtrans-59-30.7-178.2-67.7-174.1-179.500112.4C155 A178C155-E176 PolarHBondContact SG-O 3.44Å; E176-A178 VanDerWaalsContact C-N 3.33Å
177E88.4Confident92.3Very high157 Ų15757 Ų5773%0.73430%0.296SS*.G310 helixtrans-88.76.9179.1-44.981.2-178.100113.7P175 I179P175-E177 PolarHBondContact O-N 3.14Å; E177-I179 VanDerWaalsContact C-N 3.27Å; E177-I179 PolarHBondContact O-N 2.98Å
178A89.9Confident92.5Very high16 Ų1650.1 Ų50.113%0.13227%0.266CS..G310 helixtrans-68.9-24.9-178.300000114.2I174 P175 E176 F337I174-A178 HydrophobicContact CB-CB 3.76Å; I174-A178 HydrophobicContact CD1-CB 4.22Å; I174-A178 HydrophobicContact CG1-CB 4.33Å; P175-A178 HydrophobicContact CG-CB 3.92Å; P175-A178 WeakPolarHBondContact O-CB 3.45Å; P175-A178 PolarHBondContact O-N 3.17Å; E176-A178 VanDerWaalsContact C-N 3.33Å; A178-F337 HydrophobicContact CB-CE1 4.3Å; A178-F337 HydrophobicContact CB-CE2 4.13Å; A178-F337 HydrophobicContact CB-CZ 3.58Å
179I93.8Very high92.6Very high4 Ų448.6 Ų48.62%0.02125%0.251CS..  trans-112.7143.6-178-54.7-64000107.9F148 T151 A154 C155 I158 I174 E177 T183 V186F148-I179 HydrophobicContact CB-CG2 3.85Å; F148-I179 HydrophobicContact CD1-CD1 4.48Å; F148-I179 HydrophobicContact CD1-CG2 3.58Å; F148-I179 HydrophobicContact CE1-CD1 4.27Å; F148-I179 HydrophobicContact CE1-CG2 4.38Å; F148-I179 HydrophobicContact CG-CG2 3.94Å; T151-I179 HydrophobicContact CG2-CB 4.16Å; T151-I179 HydrophobicContact CG2-CG2 4.36Å; T151-I179 WeakPolarHBondContact CG2-O 3.5Å; A154-I179 HydrophobicContact CB-CG2 4.35Å; C155-I179 VanDerWaalsContact SG-CB 3.56Å; C155-I179 WeakPolarHBondContact SG-CG1 2.88Å; I158-I179 HydrophobicContact CD1-CD1 4.13Å; I174-I179 HydrophobicContact CD1-CD1 4.23Å; I174-I179 HydrophobicContact CD1-CG1 3.96Å; E177-I179 VanDerWaalsContact C-N 3.27Å; E177-I179 PolarHBondContact O-N 2.98Å; I179-T183 HydrophobicContact CD1-CG2 4.05Å; I179-T183 HydrophobicContact CG2-CG2 4.43Å; I179-V186 HydrophobicContact CD1-CG2 3.61Å
180D93.7Very high92.7Very high76 Ų7644.4 Ų44.441%0.40623%0.233SC..  trans-141.5167.4171.666.248.8000109.7L182 T183D180-L182 PolarHBondContact O-N 3.02Å; D180-L182 VanDerWaalsContact OD1-CA 3.25Å; D180-L182 WeakPolarHBondContact OD1-CA 3.16Å; D180-L182 VanDerWaalsContact OD1-CB 3.3Å; D180-L182 WeakPolarHBondContact OD1-CB 3.29Å; D180-L182 PolarHBondContact OD1-N 2.87Å; D180-T183 PolarHBondContact N-OG1 2.87Å; D180-T183 WeakPolarHBondContact O-CB 3.46Å; D180-T183 PolarHBondContact O-N 3.01Å; D180-T183 PolarHBondContact O-OG1 2.93Å; D180-T183 PolarHBondContact OD1-N 3.41Å; D180-T183 PolarHBondContact OD1-OG1 3.33Å
181P93Very high92.8Very high78 Ų7844.3 Ų44.351%0.50623%0.232SC..THydrogen-bonded Turntrans-61.7-14.6-179.3-27.136.6000115.8
182L92.2Very high92.6Very high137 Ų13740 Ų4072%0.71721%0.213SC*.THydrogen-bonded Turntrans-94.2-3.2176.4-58.6177.2000112.6D180 S184 Y332D180-L182 PolarHBondContact O-N 3.02Å; D180-L182 VanDerWaalsContact OD1-CA 3.25Å; D180-L182 WeakPolarHBondContact OD1-CA 3.16Å; D180-L182 VanDerWaalsContact OD1-CB 3.3Å; D180-L182 WeakPolarHBondContact OD1-CB 3.29Å; D180-L182 PolarHBondContact OD1-N 2.87Å; L182-S184 PolarHBondContact O-N 2.97Å; L182-Y332 PolarHBondContact O-OH 3.41Å
183T94.5Very high92.3Very high4 Ų434.7 Ų34.73%0.02519%0.185CC..  trans-59136.5175.4-62.70000109.8F148 I179 D180 V186 S334F148-T183 HydrophobicContact CD1-CG2 4.44Å; F148-T183 HydrophobicContact CD2-CG2 3.63Å; F148-T183 VanDerWaalsContact CD2-O 3.29Å; F148-T183 WeakPolarHBondContact CD2-O 3.37Å; F148-T183 HydrophobicContact CE1-CG2 4.49Å; F148-T183 HydrophobicContact CE2-CG2 3.66Å; F148-T183 HydrophobicContact CG-CG2 4.03Å; F148-T183 HydrophobicContact CZ-CG2 4.12Å; I179-T183 HydrophobicContact CD1-CG2 4.05Å; I179-T183 HydrophobicContact CG2-CG2 4.43Å; D180-T183 PolarHBondContact N-OG1 2.87Å; D180-T183 WeakPolarHBondContact O-CB 3.46Å; D180-T183 PolarHBondContact O-N 3.01Å; D180-T183 PolarHBondContact O-OG1 2.93Å; D180-T183 PolarHBondContact OD1-N 3.41Å; D180-T183 PolarHBondContact OD1-OG1 3.33Å; T183-V186 HydrophobicContact CG2-CG2 3.4Å; T183-V186 VanDerWaalsContact CG2-CG2 3.4Å; T183-S334 WeakPolarHBondContact CA-OG 3.35Å
184S94.1Very high91.9Very high10 Ų1037.6 Ų37.67%0.0720%0.197CC..  trans-119.1-54.3-171.8177.50000111.3G121 Q122 L182 L331 Y332 S334G121-S184 CarbonylContact C-O 3.58Å; G121-S184 WeakPolarHBondContact CA-O 3.16Å; Q122-S184 PolarHBondContact N-O 2.84Å; L182-S184 PolarHBondContact O-N 2.97Å; S184-L331 WeakPolarHBondContact OG-CA 3.38Å; S184-L331 VanDerWaalsContact OG-CD2 3.27Å; S184-L331 WeakPolarHBondContact OG-CD2 3.25Å; S184-Y332 VanDerWaalsContact CB-CE1 3.49Å; S184-Y332 WeakPolarHBondContact CB-O 3.29Å; S184-Y332 PolarHBondContact OG-N 3.09Å; S184-Y332 PolarHBondContact OG-O 3.49Å; S184-S334 PolarHBondContact N-OG 2.95Å
185L95.9Very high91.6Very high0 Ų038.1 Ų38.10%020%0.202CC..EExtended strand (participates in β ladder)trans-144.1128178.3-174.367.1000109.8L119 F120 I143 I325 Y332 V333 S334L119-L185 HydrophobicContact CB-CD1 4.11Å; L119-L185 HydrophobicContact CD2-CD1 4.2Å; L119-L185 HydrophobicContact CD2-CD2 4.39Å; L119-L185 HydrophobicContact CD2-CG 4.32Å; F120-L185 CarbonylContact O-C 3.57Å; F120-L185 WeakPolarHBondContact O-CA 3.19Å; I143-L185 HydrophobicContact CD1-CD1 4.19Å; L185-I325 HydrophobicContact CD2-CD1 3.94Å; L185-Y332 VanDerWaalsContact CB-O 3.32Å; L185-Y332 WeakPolarHBondContact CB-O 3.31Å; L185-Y332 PolarHBondContact N-O 2.97Å; L185-V333 HydrophobicContact CD2-CG2 3.96Å; L185-V333 HydrophobicContact CG-CG2 4.45Å; L185-V333 CarbonylContact O-C 3.48Å; L185-V333 WeakPolarHBondContact O-CA 3.43Å; L185-S334 PolarHBondContact O-N 2.93Å
186V95.9Very high91.5Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-115.6130.5177.9-174.40000109.5F120 F148 I179 T183 I188 F337F120-V186 HydrophobicContact CB-CB 4.44Å; F120-V186 PolarHBondContact N-O 3.04Å; F120-V186 PolarHBondContact O-N 2.76Å; F148-V186 HydrophobicContact CZ-CG2 4.11Å; I179-V186 HydrophobicContact CD1-CG2 3.61Å; T183-V186 HydrophobicContact CG2-CG2 3.4Å; T183-V186 VanDerWaalsContact CG2-CG2 3.4Å; V186-I188 HydrophobicContact CG1-CD1 3.63Å; V186-I188 HydrophobicContact CG1-CG1 4.12Å; V186-F337 HydrophobicContact CG1-CD2 3.94Å; V186-F337 HydrophobicContact CG1-CE2 3.98Å
187L96Very high91.8Very high0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-98.7114.6176.5-177.765000110.2A61 L62 M64 L119 D335 A336 F337A61-L187 HydrophobicContact CB-CD1 3.72Å; A61-L187 HydrophobicContact CB-CD2 4.03Å; A61-L187 HydrophobicContact CB-CG 4Å; A61-L187 WeakPolarHBondContact O-CD1 3.48Å; L62-L187 HydrophobicContact CD2-CD2 3.67Å; L62-L187 HydrophobicContact CG-CD2 4.19Å; M64-L187 HydrophobicContact CE-CD1 3.38Å; L119-L187 HydrophobicContact CD2-CB 4.5Å; L119-L187 HydrophobicContact CD2-CD1 3.53Å; L119-L187 HydrophobicContact CG-CD1 4.49Å; L187-D335 PolarHBondContact N-O 3.04Å; L187-A336 HydrophobicContact CB-CB 3.91Å; L187-A336 HydrophobicContact CD2-CB 4.21Å; L187-A336 HydrophobicContact CG-CB 4.47Å; L187-A336 WeakPolarHBondContact O-CA 3.37Å; L187-F337 PolarHBondContact O-N 2.82Å
188I94.6Very high92Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-108.7125.6179.6-58.9-60.2000110.3R118 F120 I158 W161 V162 L173 I174 V186 F337R118-I188 PolarHBondContact N-O 2.93Å; R118-I188 PolarHBondContact O-N 3.01Å; F120-I188 HydrophobicContact CD2-CB 4.27Å; F120-I188 HydrophobicContact CD2-CG1 3.57Å; F120-I188 HydrophobicContact CE2-CB 4.05Å; F120-I188 HydrophobicContact CE2-CG1 3.65Å; I158-I188 HydrophobicContact CG2-CD1 3.83Å; I158-I188 HydrophobicContact CG2-CG1 3.83Å; W161-I188 HydrophobicContact CZ3-CG2 4.28Å; V162-I188 HydrophobicContact CG2-CG2 3.63Å; L173-I188 HydrophobicContact CD1-CG2 4.12Å; L173-I188 HydrophobicContact CD2-CD1 3.83Å; L173-I188 HydrophobicContact CD2-CG2 3.98Å; I174-I188 HydrophobicContact CG2-CD1 3.65Å; V186-I188 HydrophobicContact CG1-CD1 3.63Å; V186-I188 HydrophobicContact CG1-CG1 4.12Å; I188-F337 HydrophobicContact CD1-CB 4.19Å; I188-F337 HydrophobicContact CD1-CD2 3.87Å; I188-F337 HydrophobicContact CD1-CG 4.45Å
189N93.3Very high92.1Very high0 Ų028.3 Ų28.30%015%0.15CC..EExtended strand (participates in β ladder)trans-131.3115.1173-176.9-115.5000111S57 I58 A61 A116 N117 F337 H338 K339S57-N189 VanDerWaalsContact C-ND2 3.31Å; S57-N189 WeakPolarHBondContact CB-ND2 3.42Å; S57-N189 WeakPolarHBondContact CB-OD1 3.23Å; S57-N189 PolarHBondContact O-ND2 3.47Å; S57-N189 VanDerWaalsContact O-ND2 3.12Å; S57-N189 PolarHBondContact OG-ND2 3.44Å; S57-N189 PolarHBondContact OG-OD1 2.63Å; I58-N189 PolarHBondContact N-OD1 3.12Å; A61-N189 HydrophobicContact CB-CB 4.03Å; A116-N189 WeakPolarHBondContact O-CA 3.22Å; N117-N189 PolarHBondContact OD1-ND2 2.75Å; N189-F337 PolarHBondContact N-O 3.5Å; N189-H338 VanDerWaalsContact O-CA 3.27Å; N189-H338 WeakPolarHBondContact O-CA 3.39Å; N189-H338 PolarHBondContact OD1-CE1 2.93Å; N189-H338 PolarHBondContact OD1-ND1 3.25Å; N189-K339 PolarHBondContact O-N 2.97Å
190A92.2Very high92.2Very high0 Ų030.6 Ų30.60%017%0.166CC..EExtended strand (participates in β ladder)trans-124.7142.2172.500000110.2A116 V162 T166 I170 L173 K339A116-A190 HydrophobicContact CB-CB 3.94Å; A116-A190 PolarHBondContact N-O 3.02Å; A116-A190 PolarHBondContact O-N 3.48Å; V162-A190 HydrophobicContact CG1-CB 3.64Å; T166-A190 HydrophobicContact CG2-CB 4.23Å; I170-A190 HydrophobicContact CD1-CB 3.85Å; I170-A190 HydrophobicContact CG2-CB 4.32Å; L173-A190 HydrophobicContact CD1-CB 3.43Å; L173-A190 VanDerWaalsContact CD1-CB 3.43Å; A190-K339 WeakPolarHBondContact CA-O 3.31Å
191I90.2Very high92.2Very high0 Ų027.4 Ų27.40%015%0.148CC..EExtended strand (participates in β ladder)trans-147.7124.8175.3-174.8177.3000112.3S54 L113 Y114 I115 K339 A340 F341 L392 F393S54-I191 WeakPolarHBondContact OG-CD1 3.42Å; L113-I191 HydrophobicContact CD1-CD1 3.9Å; L113-I191 HydrophobicContact CD1-CG1 3.92Å; Y114-I191 VanDerWaalsContact O-CA 3.31Å; Y114-I191 WeakPolarHBondContact O-CA 3.32Å; I115-I191 HydrophobicContact CD1-CD1 4.43Å; I115-I191 HydrophobicContact CG1-CD1 4.06Å; I115-I191 HydrophobicContact CG1-CG1 4.02Å; I191-K339 PolarHBondContact N-O 3.38Å; I191-A340 HydrophobicContact CG2-CB 4.01Å; I191-A340 WeakPolarHBondContact O-CA 3.25Å; I191-F341 PolarHBondContact O-N 3.46Å; I191-L392 HydrophobicContact CD1-CD1 3.77Å; I191-L392 HydrophobicContact CD1-CG 4.14Å; I191-F393 HydrophobicContact CD1-CE1 4.24Å; I191-F393 HydrophobicContact CD1-CE2 3.93Å; I191-F393 HydrophobicContact CD1-CZ 3.56Å; I191-F393 HydrophobicContact CG1-CE1 4.38Å; I191-F393 HydrophobicContact CG1-CE2 4.46Å; I191-F393 HydrophobicContact CG1-CZ 3.71Å; I191-F393 HydrophobicContact CG2-CE1 3.93Å; I191-F393 HydrophobicContact CG2-CZ 4.14Å
192Y89.1Confident92.3Very high6 Ų629.9 Ų29.92%0.02415%0.151CC..EExtended strand (participates in β ladder)trans-112.3132.4173.2170.7-90000109.2E112 L113 Y114 K169 K194 F341E112-Y192 HydrophobicContact CB-CD1 4.33Å; E112-Y192 HydrophobicContact CB-CE1 3.79Å; E112-Y192 WeakPolarHBondContact OE2-CE1 3.11Å; L113-Y192 WeakPolarHBondContact CA-O 3.36Å; Y114-Y192 AromaticContact CD2-CD1 3.57Å; Y114-Y192 HydrophobicContact CD2-CD1 3.57Å; Y114-Y192 HydrophobicContact CD2-CE1 4.17Å; Y114-Y192 HydrophobicContact CD2-CG 4.36Å; Y114-Y192 HydrophobicContact CE2-CD1 4.09Å; Y114-Y192 HydrophobicContact CE2-CE1 4.23Å; Y114-Y192 PolarHBondContact N-O 2.89Å; Y114-Y192 PolarHBondContact O-N 3.17Å; K169-Y192 HydrophobicContact CB-CD1 4.27Å; K169-Y192 HydrophobicContact CB-CD2 3.43Å; K169-Y192 VanDerWaalsContact CB-CD2 3.43Å; K169-Y192 HydrophobicContact CB-CE2 3.73Å; K169-Y192 HydrophobicContact CB-CG 3.7Å; K169-Y192 HydrophobicContact CD-CD2 4.39Å; K169-Y192 HydrophobicContact CD-CE1 4.34Å; K169-Y192 HydrophobicContact CD-CE2 3.79Å; K169-Y192 HydrophobicContact CG-CD1 4.06Å; K169-Y192 HydrophobicContact CG-CD2 3.88Å; K169-Y192 HydrophobicContact CG-CE1 3.92Å; K169-Y192 HydrophobicContact CG-CE2 3.75Å; K169-Y192 HydrophobicContact CG-CG 3.99Å; Y192-K194 HydrophobicContact CE1-CB 3.77Å; Y192-K194 WeakPolarHBondContact OH-CB 3.33Å; Y192-K194 VanDerWaalsContact OH-CD 3.3Å; Y192-K194 WeakPolarHBondContact OH-CD 3.2Å; Y192-F341 HydrophobicContact CD2-CB 3.98Å; Y192-F341 AromaticContact CD2-CD1 3.48Å; Y192-F341 HydrophobicContact CD2-CD1 3.48Å; Y192-F341 VanDerWaalsContact CD2-CD1 3.48Å; Y192-F341 HydrophobicContact CD2-CE1 4.13Å; Y192-F341 AromaticContact CD2-CG 3.87Å; Y192-F341 HydrophobicContact CD2-CG 3.87Å; Y192-F341 AromaticContact CE2-CD1 3.46Å; Y192-F341 HydrophobicContact CE2-CD1 3.46Å; Y192-F341 VanDerWaalsContact CE2-CD1 3.46Å; Y192-F341 AromaticContact CE2-CE1 3.61Å; Y192-F341 HydrophobicContact CE2-CE1 3.61Å; Y192-F341 HydrophobicContact CE2-CG 4.19Å; Y192-F341 HydrophobicContact CE2-CZ 4.39Å
193F87.3Confident92.5Very high2 Ų227.7 Ų27.71%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-132.9129.3173.6178-101.8000111.2E112 L113 A195 Y245 L250 I383 F393E112-F193 WeakPolarHBondContact O-CA 3.3Å; L113-F193 HydrophobicContact CB-CD2 4.28Å; L113-F193 HydrophobicContact CD1-CB 4.27Å; L113-F193 HydrophobicContact CD1-CD2 4.08Å; F193-A195 HydrophobicContact CE1-CB 3.81Å; F193-A195 HydrophobicContact CE2-CB 3.74Å; F193-A195 HydrophobicContact CZ-CB 3.23Å; F193-Y245 HydrophobicContact CE1-CE1 4.11Å; F193-Y245 AromaticContact CE1-CE2 3.92Å; F193-Y245 HydrophobicContact CE1-CE2 3.92Å; F193-Y245 AromaticContact CE1-CZ 3.66Å; F193-Y245 HydrophobicContact CZ-CD2 4.17Å; F193-Y245 HydrophobicContact CZ-CE1 4.35Å; F193-Y245 AromaticContact CZ-CE2 3.96Å; F193-Y245 HydrophobicContact CZ-CE2 3.96Å; F193-Y245 HydrophobicContact CZ-CG 4.45Å; F193-L250 HydrophobicContact CD2-CD1 4.39Å; F193-L250 HydrophobicContact CE2-CD1 3.31Å; F193-L250 HydrophobicContact CZ-CD1 3.59Å; F193-I383 HydrophobicContact CD1-CD1 3.41Å; F193-I383 VanDerWaalsContact CD1-CD1 3.41Å; F193-I383 HydrophobicContact CE1-CD1 3.4Å; F193-I383 HydrophobicContact CE1-CG1 4.37Å; F193-I383 HydrophobicContact CE1-CG2 4.39Å; F193-I383 HydrophobicContact CG-CD1 4.39Å; F193-I383 HydrophobicContact CZ-CD1 4.36Å; F193-I383 HydrophobicContact CZ-CG2 4.35Å; F193-F393 HydrophobicContact CB-CD2 4.38Å; F193-F393 HydrophobicContact CB-CE2 3.31Å; F193-F393 HydrophobicContact CB-CZ 3.43Å; F193-F393 VanDerWaalsContact CB-CZ 3.43Å; F193-F393 HydrophobicContact CD1-CE2 4.26Å; F193-F393 HydrophobicContact CD2-CE2 4.49Å; F193-F393 AromaticContact CG-CE2 3.79Å; F193-F393 HydrophobicContact CG-CE2 3.79Å; F193-F393 HydrophobicContact CG-CZ 4.38Å
194K85.1Confident92.5Very high71 Ų7131.7 Ų31.731%0.30918%0.177SC..EExtended strand (participates in β ladder)trans-141.4126.8169.5179.4174.3-178.5168.20108Y111 E112 Y192Y111-K194 CarbonylContact C-O 3.48Å; Y111-K194 WeakPolarHBondContact CA-O 3.48Å; E112-K194 HydrophobicContact CB-CB 4.41Å; E112-K194 PolarHBondContact N-O 3.21Å; E112-K194 PolarHBondContact O-N 3.46Å; Y192-K194 HydrophobicContact CE1-CB 3.77Å; Y192-K194 WeakPolarHBondContact OH-CB 3.33Å; Y192-K194 VanDerWaalsContact OH-CD 3.3Å; Y192-K194 WeakPolarHBondContact OH-CD 3.2Å
195A85.6Confident92.6Very high13 Ų1334.7 Ų34.711%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-145147.7179.500000111F193 Y245F193-A195 HydrophobicContact CE1-CB 3.81Å; F193-A195 HydrophobicContact CE2-CB 3.74Å; F193-A195 HydrophobicContact CZ-CB 3.23Å; A195-Y245 HydrophobicContact CB-CD1 3.34Å; A195-Y245 HydrophobicContact CB-CE1 3.75Å; A195-Y245 HydrophobicContact CB-CG 3.81Å; A195-Y245 WeakPolarHBondContact O-CE1 3.2Å
196D89.6Confident92.7Very high38 Ų3835.9 Ų35.920%0.20320%0.199CC..  trans-78.1137.7178.5-73.5-12.9000110.4G110 Y245 A246 G348 S349G110-D196 VanDerWaalsContact O-CB 3.22Å; G110-D196 WeakPolarHBondContact O-CB 3.34Å; G110-D196 PolarHBondContact O-N 3.06Å; D196-Y245 CarbonylContact O-C 3.58Å; D196-Y245 VanDerWaalsContact O-CA 3.3Å; D196-Y245 WeakPolarHBondContact O-CA 3.47Å; D196-Y245 WeakPolarHBondContact O-CB 3.41Å; D196-Y245 WeakPolarHBondContact O-CD1 3.45Å; D196-A246 HydrophobicContact CB-CB 4.03Å; D196-A246 WeakPolarHBondContact O-CB 3.37Å; D196-A246 PolarHBondContact O-N 3.46Å; D196-G348 VanDerWaalsContact CA-CA 3.41Å; D196-G348 WeakPolarHBondContact CB-O 3.36Å; D196-G348 VanDerWaalsContact OD1-CA 3.23Å; D196-G348 WeakPolarHBondContact OD1-CA 3.38Å; D196-S349 PolarHBondContact OD2-N 3.22Å
197W92.8Very high92.8Very high8 Ų841.9 Ų41.93%0.0323%0.225CC..BIsolated β-bridgetrans-63.6143.4170.1-60.9117.3000111.1T199 F201 I243 Y245 M252 I344 N345W197-T199 WeakPolarHBondContact CB-O 3.41Å; W197-T199 PolarHBondContact O-N 2.81Å; W197-F201 AromaticContact CD1-CD2 3.92Å; W197-F201 AromaticContact NE1-CD2 3.9Å; W197-F201 AromaticContact NE1-CE2 3.92Å; W197-I243 HydrophobicContact CD2-CG2 4.16Å; W197-I243 HydrophobicContact CE3-CB 4.21Å; W197-I243 HydrophobicContact CE3-CG2 3.44Å; W197-I243 VanDerWaalsContact CE3-CG2 3.44Å; W197-I243 HydrophobicContact CZ3-CB 3.93Å; W197-I243 HydrophobicContact CZ3-CG2 3.69Å; W197-Y245 HydrophobicContact CD2-CD1 4.5Å; W197-Y245 HydrophobicContact CD2-CE1 4.31Å; W197-Y245 AromaticContact CE3-CD1 3.84Å; W197-Y245 HydrophobicContact CE3-CD1 3.84Å; W197-Y245 AromaticContact CE3-CE1 3.74Å; W197-Y245 HydrophobicContact CE3-CE1 3.74Å; W197-Y245 HydrophobicContact CE3-CG 4.46Å; W197-Y245 AromaticContact CH2-CE1 3.9Å; W197-Y245 HydrophobicContact CH2-CE1 3.9Å; W197-Y245 AromaticContact CH2-CZ 3.84Å; W197-Y245 HydrophobicContact CZ2-CE1 4.43Å; W197-Y245 AromaticContact CZ3-CD1 3.99Å; W197-Y245 HydrophobicContact CZ3-CD1 3.99Å; W197-Y245 AromaticContact CZ3-CE1 3.51Å; W197-Y245 HydrophobicContact CZ3-CE1 3.51Å; W197-Y245 HydrophobicContact CZ3-CE2 4.12Å; W197-Y245 HydrophobicContact CZ3-CG 4.49Å; W197-Y245 AromaticContact CZ3-CZ 3.58Å; W197-M252 HydrophobicContact CH2-CB 3.9Å; W197-M252 HydrophobicContact CH2-CG 4.33Å; W197-M252 HydrophobicContact CH2-SD 3.63Å; W197-M252 HydrophobicContact CZ2-SD 4.49Å; W197-M252 HydrophobicContact CZ3-CB 3.84Å; W197-M252 HydrophobicContact CZ3-SD 4.47Å; W197-I344 HydrophobicContact CH2-CD1 4.42Å; W197-I344 HydrophobicContact CZ2-CD1 4.33Å; W197-I344 HydrophobicContact CZ2-CG2 3.89Å; W197-N345 PolarHBondContact NE1-O 3.25Å
198K92.4Very high92.9Very high98 Ų9847.6 Ų47.643%0.42626%0.256SS..SBendtrans-59.3-33.3168.7-176179.7-177.4174.50111.2P244 E248K198-P244 HydrophobicContact CB-CB 4.17Å; K198-P244 WeakPolarHBondContact CB-O 3.46Å; K198-P244 HydrophobicContact CD-CB 4.32Å; K198-P244 PolarHBondContact N-O 2.91Å; K198-E248 HydrophobicContact CD-CG 4.04Å; K198-E248 WeakPolarHBondContact CE-OE1 3.09Å; K198-E248 IonicContact NZ-OE1 3.2Å; K198-E248 PolarHBondContact NZ-OE1 3.39Å; K198-E248 IonicContact NZ-OE2 2.72Å; K198-E248 PolarHBondContact NZ-OE2 3.16Å
199T93.6Very high93Very high49 Ų4950.2 Ų50.230%0.30127%0.272SS..SBendtrans-130.3100.8174.6-57.20000108.2W197 M226 R228W197-T199 WeakPolarHBondContact CB-O 3.41Å; W197-T199 PolarHBondContact O-N 2.81Å; T199-M226 HydrophobicContact CG2-SD 4.28Å; T199-M226 WeakPolarHBondContact O-CE 3.39Å; T199-R228 HydrophobicContact CG2-CG 4.14Å
200P94.4Very high93.3Very high53 Ų5352.7 Ų52.734%0.34429%0.287SS..PPolyproline II helixtrans-63.9152.8-178.6-24.434.8000113.5M226 E346P200-M226 WeakPolarHBondContact O-CE 3.49Å; P200-E346 WeakPolarHBondContact CB-O 3.32Å
201F95.1Very high93.5Very high8 Ų852.7 Ų52.74%0.03529%0.287CS..PPolyproline II helixtrans-77.4147.6168.9-64.7-100.8000109.6W197 T203 M224 M226 I243 V289 E346W197-F201 AromaticContact CD1-CD2 3.92Å; W197-F201 AromaticContact NE1-CD2 3.9Å; W197-F201 AromaticContact NE1-CE2 3.92Å; F201-T203 PolarHBondContact O-N 2.61Å; F201-M224 HydrophobicContact CB-CB 4.29Å; F201-M224 HydrophobicContact CD1-CB 3.6Å; F201-M224 HydrophobicContact CD2-CB 4.49Å; F201-M224 HydrophobicContact CD2-CE 4.39Å; F201-M224 HydrophobicContact CD2-SD 4.19Å; F201-M224 HydrophobicContact CE1-CB 4Å; F201-M224 HydrophobicContact CE2-CE 4.27Å; F201-M224 HydrophobicContact CG-CB 3.88Å; F201-M224 HydrophobicContact CG-SD 4.31Å; F201-M226 HydrophobicContact CB-CE 3.92Å; F201-M226 HydrophobicContact CD1-CB 4.21Å; F201-M226 HydrophobicContact CD1-CE 3.23Å; F201-M226 HydrophobicContact CD1-CG 4.01Å; F201-M226 HydrophobicContact CD1-SD 4.49Å; F201-M226 HydrophobicContact CD2-CE 3.41Å; F201-M226 VanDerWaalsContact CD2-CE 3.41Å; F201-M226 HydrophobicContact CE1-CB 4.42Å; F201-M226 HydrophobicContact CE1-CE 3.45Å; F201-M226 VanDerWaalsContact CE1-CE 3.45Å; F201-M226 HydrophobicContact CE1-CG 3.8Å; F201-M226 HydrophobicContact CE1-SD 4.4Å; F201-M226 HydrophobicContact CE2-CE 3.61Å; F201-M226 HydrophobicContact CG-CE 3.21Å; F201-M226 HydrophobicContact CZ-CE 3.63Å; F201-M226 HydrophobicContact CZ-CG 4.49Å; F201-I243 HydrophobicContact CZ-CD1 4.06Å; F201-V289 HydrophobicContact CE1-CG1 4.3Å; F201-V289 HydrophobicContact CZ-CG1 4.33Å; F201-E346 HydrophobicContact CB-CB 3.97Å; F201-E346 HydrophobicContact CB-CG 4.09Å; F201-E346 PolarHBondContact N-O 2.83Å
202K95.2Very high93.9Very high131 Ų13155.5 Ų55.557%0.5730%0.298SS*.PPolyproline II helixtrans-82.5117.8172-66.9-175.7178.2-174.40108.3A204 L205K202-A204 PolarHBondContact O-N 3.2Å; K202-L205 HydrophobicContact CB-CB 4.43Å; K202-L205 HydrophobicContact CB-CD1 4.06Å; K202-L205 HydrophobicContact CB-CG 3.97Å; K202-L205 HydrophobicContact CD-CD1 4.23Å; K202-L205 WeakPolarHBondContact O-CA 3.36Å; K202-L205 WeakPolarHBondContact O-CB 3.07Å; K202-L205 PolarHBondContact O-N 3.31Å
203T94.8Very high94.2Very high90 Ų9055.7 Ų55.755%0.55230%0.3SS*.G310 helixtrans-52.9-37.6176.851.50000112.7F201 L205 T206 E346F201-T203 PolarHBondContact O-N 2.61Å; T203-L205 PolarHBondContact O-N 3.41Å; T203-L205 VanDerWaalsContact O-N 3.1Å; T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.44Å; T203-E346 HydrophobicContact CG2-CB 3.78Å; T203-E346 HydrophobicContact CG2-CG 3.94Å
204A95.8Very high94.4Very high89 Ų8960.3 Ų60.374%0.73632%0.32SS*.G310 helixtrans-62.6-15.1175.800000114.4K202K202-A204 PolarHBondContact O-N 3.2Å
205L96.4Very high94.8Very high73 Ų7364.7 Ų64.738%0.38234%0.341SS..G310 helixtrans-98.2-11.1175-58.7-178.3000112.5K202 T203 K207 Q225K202-L205 HydrophobicContact CB-CB 4.43Å; K202-L205 HydrophobicContact CB-CD1 4.06Å; K202-L205 HydrophobicContact CB-CG 3.97Å; K202-L205 HydrophobicContact CD-CD1 4.23Å; K202-L205 WeakPolarHBondContact O-CA 3.36Å; K202-L205 WeakPolarHBondContact O-CB 3.07Å; K202-L205 PolarHBondContact O-N 3.31Å; T203-L205 PolarHBondContact O-N 3.41Å; T203-L205 VanDerWaalsContact O-N 3.1Å; L205-K207 PolarHBondContact O-N 3.19Å; L205-Q225 HydrophobicContact CB-CG 3.81Å; L205-Q225 VanDerWaalsContact O-CG 3.31Å; L205-Q225 WeakPolarHBondContact O-CG 3.43Å; L205-Q225 PolarHBondContact O-NE2 3.13Å
206T97.6Very high95.1Very high25 Ų2568.7 Ų68.715%0.15338%0.383CS..  trans-66.5131.5174.9-59.20000109.8T203 E222 M223 M224 E346T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.44Å; T206-E222 HydrophobicContact CG2-CB 3.87Å; T206-M223 VanDerWaalsContact CA-O 3.31Å; T206-M223 WeakPolarHBondContact CA-O 3.38Å; T206-M224 HydrophobicContact CG2-CG 4.42Å; T206-E346 WeakPolarHBondContact CB-OE1 3.07Å; T206-E346 WeakPolarHBondContact CG2-OE1 3.33Å; T206-E346 VanDerWaalsContact OG1-CG 3.28Å; T206-E346 WeakPolarHBondContact OG1-CG 3.44Å; T206-E346 PolarHBondContact OG1-OE1 3.35Å
207K97.7Very high95.3Very high125 Ų12571.7 Ų71.754%0.54340%0.395SS..EExtended strand (participates in β ladder)trans-138142.1-178.5-66.6-176.3-177-178.40112.1L205 T209 M223L205-K207 PolarHBondContact O-N 3.19Å; K207-T209 PolarHBondContact O-N 3.18Å; K207-T209 PolarHBondContact O-OG1 3.07Å; K207-M223 PolarHBondContact N-O 3.21Å; K207-M223 WeakPolarHBondContact O-CB 3.47Å; K207-M223 PolarHBondContact O-N 3.32Å
208N98.3Very high95.5Very high121 Ų12177.2 Ų77.265%0.64742%0.421SS*.EExtended strand (participates in β ladder)trans-59.7122168.6-75.5-11000110.5T220 V221N208-T220 HydrophobicContact CB-CG2 3.63Å; N208-V221 CarbonylContact C-O 3.54Å; N208-V221 WeakPolarHBondContact CA-O 3.35Å
209T97.5Very high95.7Very high54 Ų5474.8 Ų74.833%0.33141%0.414SS..EExtended strand (participates in β ladder)trans-136.4151.6-177.3-52.30000110K207 T220 V221 M223K207-T209 PolarHBondContact O-N 3.18Å; K207-T209 PolarHBondContact O-OG1 3.07Å; T209-T220 WeakPolarHBondContact O-CA 3.08Å; T209-V221 PolarHBondContact N-O 2.85Å; T209-V221 PolarHBondContact O-N 3.37Å; T209-M223 HydrophobicContact CG2-CE 4.46Å; T209-M223 WeakPolarHBondContact OG1-CB 3.48Å
210T97.8Very high95.9Very high52 Ų5276.7 Ų76.732%0.31943%0.426SS..EExtended strand (participates in β ladder)trans-64.8135.2173.2-52.90000111.3Y212 E218 T219T210-Y212 HydrophobicContact CG2-CD1 4.48Å; T210-Y212 HydrophobicContact CG2-CE1 4.12Å; T210-E218 HydrophobicContact CG2-CB 3.92Å; T210-E218 HydrophobicContact CG2-CG 4.29Å; T210-T219 CarbonylContact C-O 3.57Å; T210-T219 WeakPolarHBondContact CA-O 3.34Å
211F98.2Very high96Very high0 Ų074.7 Ų74.70%041%0.413CS..EExtended strand (participates in β ladder)trans-120.8127.1169.4-172.4-85.2000110.1V213 E218 T219 V221 P292 A375 D376 P378 F379 Y397 A399F211-V213 HydrophobicContact CD1-CG2 4.02Å; F211-V213 PolarHBondContact O-N 2.78Å; F211-E218 CarbonylContact O-C 3.49Å; F211-E218 VanDerWaalsContact O-CA 3.23Å; F211-E218 WeakPolarHBondContact O-CA 3.19Å; F211-E218 WeakPolarHBondContact O-CB 3.1Å; F211-T219 HydrophobicContact CB-CG2 4.25Å; F211-T219 PolarHBondContact N-O 3.18Å; F211-T219 PolarHBondContact O-N 3.36Å; F211-V221 HydrophobicContact CB-CB 4.43Å; F211-V221 HydrophobicContact CB-CG1 3.7Å; F211-V221 HydrophobicContact CB-CG2 3.86Å; F211-V221 HydrophobicContact CD2-CG2 4.36Å; F211-V221 HydrophobicContact CG-CG1 4.19Å; F211-P292 HydrophobicContact CD2-CG 4.11Å; F211-P292 HydrophobicContact CE2-CG 4.14Å; F211-A375 WeakPolarHBondContact CE2-O 3.41Å; F211-D376 CarbonylContact C-O 3.53Å; F211-D376 WeakPolarHBondContact CA-O 3.47Å; F211-D376 VanDerWaalsContact CD2-C 3.43Å; F211-P378 HydrophobicContact CE1-CG 4.4Å; F211-F379 HydrophobicContact CE2-CD1 4.46Å; F211-F379 HydrophobicContact CE2-CE1 4.18Å; F211-Y397 HydrophobicContact CD2-CE1 4.12Å; F211-Y397 HydrophobicContact CE1-CD1 4.44Å; F211-Y397 HydrophobicContact CE1-CE1 4.42Å; F211-Y397 AromaticContact CE2-CD1 3.7Å; F211-Y397 HydrophobicContact CE2-CD1 3.7Å; F211-Y397 AromaticContact CE2-CE1 3.67Å; F211-Y397 HydrophobicContact CE2-CE1 3.67Å; F211-Y397 AromaticContact CZ-CD1 3.6Å; F211-Y397 HydrophobicContact CZ-CD1 3.6Å; F211-Y397 AromaticContact CZ-CE1 3.83Å; F211-Y397 HydrophobicContact CZ-CE1 3.83Å; F211-A399 HydrophobicContact CD1-CB 3.74Å; F211-A399 HydrophobicContact CE1-CB 4.07Å; F211-A399 HydrophobicContact CG-CB 4.29Å
212Y97.1Very high96.1Very high60 Ų6078.5 Ų78.524%0.23543%0.431CS..EExtended strand (participates in β ladder)trans-90.187.3-176.8-56.6-82.1000111.2T210 K214 E218 R260 F261 D376 P378T210-Y212 HydrophobicContact CG2-CD1 4.48Å; T210-Y212 HydrophobicContact CG2-CE1 4.12Å; Y212-K214 PolarHBondContact O-N 2.82Å; Y212-E218 HydrophobicContact CD1-CB 4.38Å; Y212-R260 HydrophobicContact CD2-CG 4.44Å; Y212-R260 HydrophobicContact CG-CG 4.34Å; Y212-F261 WeakPolarHBondContact O-CE1 3.25Å; Y212-D376 HydrophobicContact CD2-CB 4.47Å; Y212-D376 WeakPolarHBondContact CD2-O 3.37Å; Y212-D376 PolarHBondContact N-O 3.21Å; Y212-P378 WeakPolarHBondContact O-CD 3.5Å
213V95.5Very high96.3Very high10 Ų1072.3 Ų72.36%0.06140%0.404CS..EExtended strand (participates in β ladder)trans-57.8-51.4-175.6-179.80000112.8F211 K217 T219 P378 Y398 A399F211-V213 HydrophobicContact CD1-CG2 4.02Å; F211-V213 PolarHBondContact O-N 2.78Å; V213-K217 HydrophobicContact CB-CD 4.37Å; V213-K217 HydrophobicContact CB-CG 4.24Å; V213-K217 HydrophobicContact CG1-CD 4.25Å; V213-K217 PolarHBondContact N-O 2.84Å; V213-T219 HydrophobicContact CG2-CG2 3.75Å; V213-P378 VanDerWaalsContact O-CG 3.31Å; V213-P378 WeakPolarHBondContact O-CG 3.37Å; V213-Y398 VanDerWaalsContact CG1-O 3.31Å; V213-Y398 WeakPolarHBondContact CG1-O 3.28Å; V213-Y398 WeakPolarHBondContact CG2-O 3.1Å; V213-Y398 WeakPolarHBondContact O-CD1 3.11Å; V213-A399 HydrophobicContact CG2-CB 4.23Å
214K93Very high96.4Very high98 Ų9868 Ų6843%0.42638%0.377SS..EExtended strand (participates in β ladder)trans-157.3174.8177.459178.5-178.5-1780109.6Y212 G216 K217 F261Y212-K214 PolarHBondContact O-N 2.82Å; K214-G216 PolarHBondContact O-N 2.96Å; K214-G216 VanDerWaalsContact O-N 3.16Å; K214-K217 HydrophobicContact CG-CB 3.7Å; K214-K217 HydrophobicContact CG-CD 4.43Å; K214-K217 PolarHBondContact N-O 3.12Å; K214-K217 VanDerWaalsContact N-O 3.16Å; K214-K217 PolarHBondContact O-N 3.18Å; K214-F261 VanDerWaalsContact C-CZ 3.46Å; K214-F261 VanDerWaalsContact CA-CE1 3.41Å
215Q91.7Very high96.5Very high164 Ų16466 Ų6677%0.76635%0.353SS*.THydrogen-bonded Turntrans-52.2126174.1-69.9-177.20.100110.4K217 F261Q215-K217 PolarHBondContact O-N 3.33Å; Q215-F261 HydrophobicContact CB-CE2 4.39Å; Q215-F261 HydrophobicContact CG-CD2 3.57Å; Q215-F261 HydrophobicContact CG-CE2 3.63Å; Q215-F261 HydrophobicContact CG-CG 4.28Å; Q215-F261 HydrophobicContact CG-CZ 4.37Å
216G92.7Very high96.5Very high96 Ų9663.6 Ų63.699%0.9934%0.34SS*.THydrogen-bonded Turntrans71.75.9-179.400000115.9K214K214-G216 PolarHBondContact O-N 2.96Å; K214-G216 VanDerWaalsContact O-N 3.16Å
217K94.8Very high96.5Very high101 Ų10165.7 Ų65.744%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-132.2121.5175.4-174.2-179.6179.6179.10110.9V213 K214 Q215V213-K217 HydrophobicContact CB-CD 4.37Å; V213-K217 HydrophobicContact CB-CG 4.24Å; V213-K217 HydrophobicContact CG1-CD 4.25Å; V213-K217 PolarHBondContact N-O 2.84Å; K214-K217 HydrophobicContact CG-CB 3.7Å; K214-K217 HydrophobicContact CG-CD 4.43Å; K214-K217 PolarHBondContact N-O 3.12Å; K214-K217 VanDerWaalsContact N-O 3.16Å; K214-K217 PolarHBondContact O-N 3.18Å; Q215-K217 PolarHBondContact O-N 3.33Å
218E95.6Very high96.5Very high124 Ų12465.4 Ų65.458%0.57934%0.343SS*.EExtended strand (participates in β ladder)trans-125.7162.7171.961.5-172.7-152.800110.5T210 F211 Y212T210-E218 HydrophobicContact CG2-CB 3.92Å; T210-E218 HydrophobicContact CG2-CG 4.29Å; F211-E218 CarbonylContact O-C 3.49Å; F211-E218 VanDerWaalsContact O-CA 3.23Å; F211-E218 WeakPolarHBondContact O-CA 3.19Å; F211-E218 WeakPolarHBondContact O-CB 3.1Å; Y212-E218 HydrophobicContact CD1-CB 4.38Å
219T96.6Very high96.4Very high47 Ų4766.9 Ų66.929%0.28834%0.344SS..EExtended strand (participates in β ladder)trans-146.1172.1174.8-168.30000109.6T210 F211 V213 V221 A399T210-T219 CarbonylContact C-O 3.57Å; T210-T219 WeakPolarHBondContact CA-O 3.34Å; F211-T219 HydrophobicContact CB-CG2 4.25Å; F211-T219 PolarHBondContact N-O 3.18Å; F211-T219 PolarHBondContact O-N 3.36Å; V213-T219 HydrophobicContact CG2-CG2 3.75Å; T219-V221 HydrophobicContact CG2-CG1 4.2Å; T219-A399 HydrophobicContact CG2-CB 3.55Å
220T97.7Very high96.4Very high89 Ų8964.6 Ų64.655%0.54633%0.33SS..EExtended strand (participates in β ladder)trans-98.4135.6172.7-57.20000109.9N208 T209N208-T220 HydrophobicContact CB-CG2 3.63Å; T209-T220 WeakPolarHBondContact O-CA 3.08Å
221V97.8Very high96.4Very high11 Ų1163 Ų637%0.06732%0.32CS..EExtended strand (participates in β ladder)trans-128.3150.8174.3-59.20000110.7N208 T209 F211 T219 M223 P292 A399N208-V221 CarbonylContact C-O 3.54Å; N208-V221 WeakPolarHBondContact CA-O 3.35Å; T209-V221 PolarHBondContact N-O 2.85Å; T209-V221 PolarHBondContact O-N 3.37Å; F211-V221 HydrophobicContact CB-CB 4.43Å; F211-V221 HydrophobicContact CB-CG1 3.7Å; F211-V221 HydrophobicContact CB-CG2 3.86Å; F211-V221 HydrophobicContact CD2-CG2 4.36Å; F211-V221 HydrophobicContact CG-CG1 4.19Å; T219-V221 HydrophobicContact CG2-CG1 4.2Å; V221-M223 HydrophobicContact CG2-CE 4.2Å; V221-M223 PolarHBondContact O-N 2.69Å; V221-P292 HydrophobicContact CB-CB 4.43Å; V221-P292 HydrophobicContact CG2-CB 4.17Å; V221-P292 HydrophobicContact CG2-CG 4.19Å; V221-A399 HydrophobicContact CG1-CB 3.96Å
222E97.5Very high96.5Very high88 Ų8863.1 Ų63.141%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-70.9108.3167-71.3-177.898.100109T206 P292 K293T206-E222 HydrophobicContact CG2-CB 3.87Å; E222-P292 CarbonylContact O-C 3.54Å; E222-P292 WeakPolarHBondContact O-CA 3.31Å; E222-K293 HydrophobicContact CB-CB 4.1Å; E222-K293 HydrophobicContact CB-CD 4.35Å; E222-K293 PolarHBondContact O-N 3.32Å; E222-K293 IonicContact OE1-NZ 2.66Å; E222-K293 IonicContact OE2-NZ 2.93Å
223M98.3Very high96.5Very high1 Ų161 Ų611%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-95.9111.5-178.9-169.667.877.100110.1T206 K207 T209 V221 H290 I291 P292 D376T206-M223 VanDerWaalsContact CA-O 3.31Å; T206-M223 WeakPolarHBondContact CA-O 3.38Å; K207-M223 PolarHBondContact N-O 3.21Å; K207-M223 WeakPolarHBondContact O-CB 3.47Å; K207-M223 PolarHBondContact O-N 3.32Å; T209-M223 HydrophobicContact CG2-CE 4.46Å; T209-M223 WeakPolarHBondContact OG1-CB 3.48Å; V221-M223 HydrophobicContact CG2-CE 4.2Å; V221-M223 PolarHBondContact O-N 2.69Å; M223-H290 HydrophobicContact CG-CB 3.83Å; M223-H290 HydrophobicContact SD-CB 3.92Å; M223-I291 PolarHBondContact SD-N 2.76Å; M223-I291 VanDerWaalsContact SD-N 3.35Å; M223-P292 HydrophobicContact CE-CG 4.15Å; M223-P292 HydrophobicContact SD-CG 4.11Å; M223-D376 HydrophobicContact CE-CB 4.43Å
224M97.9Very high96.6Very high0 Ų065 Ų650%033%0.333CS..EExtended strand (participates in β ladder)trans-76.4142.7172.2-52-177.5-68.500109.3F201 T206 H290 I291 K293 I344 N345 E346F201-M224 HydrophobicContact CB-CB 4.29Å; F201-M224 HydrophobicContact CD1-CB 3.6Å; F201-M224 HydrophobicContact CD2-CB 4.49Å; F201-M224 HydrophobicContact CD2-CE 4.39Å; F201-M224 HydrophobicContact CD2-SD 4.19Å; F201-M224 HydrophobicContact CE1-CB 4Å; F201-M224 HydrophobicContact CE2-CE 4.27Å; F201-M224 HydrophobicContact CG-CB 3.88Å; F201-M224 HydrophobicContact CG-SD 4.31Å; T206-M224 HydrophobicContact CG2-CG 4.42Å; M224-H290 VanDerWaalsContact O-CA 3.3Å; M224-H290 WeakPolarHBondContact O-CA 3.14Å; M224-I291 WeakPolarHBondContact CB-O 3.34Å; M224-I291 HydrophobicContact CE-CG2 4.5Å; M224-I291 PolarHBondContact N-O 3.3Å; M224-I291 PolarHBondContact O-N 3.3Å; M224-K293 HydrophobicContact CG-CB 3.95Å; M224-K293 HydrophobicContact SD-CB 4.12Å; M224-I344 HydrophobicContact CE-CG2 3.72Å; M224-N345 VanDerWaalsContact SD-O 3.4Å; M224-E346 HydrophobicContact CG-CG 3.99Å; M224-E346 HydrophobicContact SD-CB 4.4Å; M224-E346 HydrophobicContact SD-CG 3.86Å; M224-E346 PolarHBondContact SD-N 3Å; M224-E346 VanDerWaalsContact SD-N 3.4Å
225Q97.7Very high96.7Very high47 Ų4762.9 Ų62.922%0.2233%0.328CS..EExtended strand (participates in β ladder)trans-142.9146.1-179.269.9-169-74.200114.3L205 V289 H290L205-Q225 HydrophobicContact CB-CG 3.81Å; L205-Q225 VanDerWaalsContact O-CG 3.31Å; L205-Q225 WeakPolarHBondContact O-CG 3.43Å; L205-Q225 PolarHBondContact O-NE2 3.13Å; Q225-V289 WeakPolarHBondContact CA-O 3.14Å; Q225-H290 PolarHBondContact OE1-CE1 2.81Å
226M96.8Very high96.7Very high22 Ų2258.7 Ų58.711%0.10833%0.328CS..EExtended strand (participates in β ladder)trans-160.5164.3170.269.6169.382.400112.1T199 P200 F201 R228 F230 V289T199-M226 HydrophobicContact CG2-SD 4.28Å; T199-M226 WeakPolarHBondContact O-CE 3.39Å; P200-M226 WeakPolarHBondContact O-CE 3.49Å; F201-M226 HydrophobicContact CB-CE 3.92Å; F201-M226 HydrophobicContact CD1-CB 4.21Å; F201-M226 HydrophobicContact CD1-CE 3.23Å; F201-M226 HydrophobicContact CD1-CG 4.01Å; F201-M226 HydrophobicContact CD1-SD 4.49Å; F201-M226 HydrophobicContact CD2-CE 3.41Å; F201-M226 VanDerWaalsContact CD2-CE 3.41Å; F201-M226 HydrophobicContact CE1-CB 4.42Å; F201-M226 HydrophobicContact CE1-CE 3.45Å; F201-M226 VanDerWaalsContact CE1-CE 3.45Å; F201-M226 HydrophobicContact CE1-CG 3.8Å; F201-M226 HydrophobicContact CE1-SD 4.4Å; F201-M226 HydrophobicContact CE2-CE 3.61Å; F201-M226 HydrophobicContact CG-CE 3.21Å; F201-M226 HydrophobicContact CZ-CE 3.63Å; F201-M226 HydrophobicContact CZ-CG 4.49Å; M226-R228 HydrophobicContact CG-CG 4.33Å; M226-R228 HydrophobicContact SD-CB 4.06Å; M226-R228 HydrophobicContact SD-CG 3.63Å; M226-F230 HydrophobicContact CG-CE2 4.11Å; M226-F230 HydrophobicContact SD-CE2 3.64Å; M226-F230 HydrophobicContact SD-CZ 3.56Å; M226-F230 VanDerWaalsContact SD-CZ 3.56Å; M226-V289 PolarHBondContact N-O 2.86Å; M226-V289 PolarHBondContact O-N 3.15Å
227E97.4Very high96.9Very high70 Ų7058 Ų5833%0.32730%0.3SS..EExtended strand (participates in β ladder)trans-119.7110.6169.9-170.4-176.6122.100110.5K286 V287 P370E227-K286 HydrophobicContact CG-CD 4.42Å; E227-K286 HydrophobicContact CG-CG 4.21Å; E227-K286 WeakPolarHBondContact OE1-CD 3.48Å; E227-K286 WeakPolarHBondContact OE1-CE 3.5Å; E227-K286 IonicContact OE1-NZ 3.16Å; E227-K286 PolarHBondContact OE1-NZ 3.21Å; E227-V287 WeakPolarHBondContact CA-O 3.42Å; E227-P370 HydrophobicContact CG-CG 4.39Å
228R96.4Very high96.9Very high118 Ų11853.8 Ų53.845%0.44528%0.281SS..EExtended strand (participates in β ladder)trans-151.4169.1-173.8-73.3-62179.1-123.416.6111.9T199 M226 F230 K286 V287T199-R228 HydrophobicContact CG2-CG 4.14Å; M226-R228 HydrophobicContact CG-CG 4.33Å; M226-R228 HydrophobicContact SD-CB 4.06Å; M226-R228 HydrophobicContact SD-CG 3.63Å; R228-F230 HydrophobicContact CB-CD2 4.12Å; R228-F230 HydrophobicContact CB-CE2 3.58Å; R228-F230 HydrophobicContact CB-CZ 3.86Å; R228-K286 CarbonylContact O-C 3.59Å; R228-K286 WeakPolarHBondContact O-CA 3.45Å; R228-V287 PolarHBondContact N-O 3.17Å; R228-V287 PolarHBondContact O-N 3.39Å
229K97.3Very high97.1Very high152 Ų15249.2 Ų49.266%0.66126%0.259SS*.EExtended strand (participates in β ladder)trans-80.4123.8171.7-70.3-175.6180-178.50109.2R285K229-R285 CarbonylContact C-O 3.53Å; K229-R285 VanDerWaalsContact CA-O 3.26Å; K229-R285 WeakPolarHBondContact CA-O 3.29Å
230F97.7Very high97.2Very high6 Ų647 Ų473%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-141.5153.5175.9-69.9-56.9000110.3M226 R228 Y232 L241 I243 E284 R285 V289M226-F230 HydrophobicContact CG-CE2 4.11Å; M226-F230 HydrophobicContact SD-CE2 3.64Å; M226-F230 HydrophobicContact SD-CZ 3.56Å; M226-F230 VanDerWaalsContact SD-CZ 3.56Å; R228-F230 HydrophobicContact CB-CD2 4.12Å; R228-F230 HydrophobicContact CB-CE2 3.58Å; R228-F230 HydrophobicContact CB-CZ 3.86Å; F230-Y232 PolarHBondContact O-N 3.48Å; F230-Y232 VanDerWaalsContact O-N 3.16Å; F230-L241 HydrophobicContact CB-CD1 3.73Å; F230-L241 HydrophobicContact CD2-CD1 4.42Å; F230-L241 HydrophobicContact CG-CD1 4.39Å; F230-I243 HydrophobicContact CD1-CG1 4.48Å; F230-I243 HydrophobicContact CD1-CG2 4.44Å; F230-I243 HydrophobicContact CE1-CG2 3.95Å; F230-I243 HydrophobicContact CZ-CG2 4.28Å; F230-E284 WeakPolarHBondContact O-CA 3.39Å; F230-R285 PolarHBondContact N-O 3.38Å; F230-R285 PolarHBondContact O-N 2.88Å; F230-V289 HydrophobicContact CD2-CG2 3.85Å; F230-V289 HydrophobicContact CE2-CG2 4.15Å
231P98Very high97.2Very high18 Ų1842.7 Ų42.712%0.11722%0.22CC..EExtended strand (participates in β ladder)trans-48.7117.7162.2-26.630.9000111.3L241 G242 L251 T282 I283P231-L241 CarbonylContact O-C 3.46Å; P231-L241 WeakPolarHBondContact O-CA 3.13Å; P231-G242 VanDerWaalsContact CD-O 3.23Å; P231-G242 WeakPolarHBondContact CD-O 3.34Å; P231-G242 PolarHBondContact O-N 3.49Å; P231-L251 HydrophobicContact CG-CD2 4.06Å; P231-T282 WeakPolarHBondContact CB-OG1 3.47Å; P231-I283 CarbonylContact C-O 3.45Å; P231-I283 WeakPolarHBondContact CA-O 3.49Å
232Y98.6Very high97.2Very high4 Ų442.2 Ų42.22%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-143.5143.7-179.4176.3-89.9000111.5F230 E234 Q239 I240 I283 V287 P371 F373F230-Y232 PolarHBondContact O-N 3.48Å; F230-Y232 VanDerWaalsContact O-N 3.16Å; Y232-E234 HydrophobicContact CE1-CB 4.12Å; Y232-E234 PolarHBondContact OH-OE2 3.37Å; Y232-Q239 HydrophobicContact CE2-CB 4.38Å; Y232-Q239 PolarHBondContact OH-NE2 2.75Å; Y232-I240 VanDerWaalsContact CA-O 3.29Å; Y232-I240 WeakPolarHBondContact CA-O 3.18Å; Y232-I240 WeakPolarHBondContact CD2-O 3.46Å; Y232-I283 PolarHBondContact N-O 3.46Å; Y232-I283 PolarHBondContact O-N 3.05Å; Y232-V287 HydrophobicContact CD1-CG2 4.45Å; Y232-V287 HydrophobicContact CD2-CG1 4.08Å; Y232-V287 HydrophobicContact CD2-CG2 3.84Å; Y232-V287 HydrophobicContact CE2-CG1 4.34Å; Y232-V287 HydrophobicContact CG-CG2 3.71Å; Y232-P371 HydrophobicContact CD1-CG 4.14Å; Y232-P371 HydrophobicContact CE1-CB 3.93Å; Y232-P371 HydrophobicContact CE1-CG 3.83Å; Y232-P371 HydrophobicContact CE2-CB 4.47Å; Y232-F373 HydrophobicContact CE2-CB 4.47Å; Y232-F373 HydrophobicContact CE2-CD2 4.15Å
233S98.2Very high97.2Very high15 Ų1538 Ų3811%0.10520%0.197CC..EExtended strand (participates in β ladder)trans-149.2168166.564.50000111I240 S281S233-I240 PolarHBondContact N-O 3.04Å; S233-I240 PolarHBondContact O-N 2.89Å; S233-S281 WeakPolarHBondContact CB-O 2.89Å; S233-S281 WeakPolarHBondContact CB-OG 3.48Å; S233-S281 PolarHBondContact OG-OG 2.88Å
234E96.9Very high97.1Very high95 Ų9539 Ų3944%0.44420%0.203SC..EExtended strand (participates in β ladder)trans-146.9135.6-179-172.9172.116900109.8Y232 Y238 Q239 K258Y232-E234 HydrophobicContact CE1-CB 4.12Å; Y232-E234 PolarHBondContact OH-OE2 3.37Å; E234-Y238 WeakPolarHBondContact CA-O 3.33Å; E234-Q239 HydrophobicContact CG-CG 4Å; E234-K258 VanDerWaalsContact CG-CE 3.41Å; E234-K258 WeakPolarHBondContact OE1-CE 3.22Å; E234-K258 IonicContact OE1-NZ 2.89Å; E234-K258 PolarHBondContact OE1-NZ 3.1Å
235T94.7Very high96.8Very high53 Ų5339.1 Ų39.133%0.32520%0.204SC..  trans-109.5-178.4173.666.60000109.6E237 Y238 I240 K258 L278T235-E237 PolarHBondContact O-N 2.84Å; T235-E237 PolarHBondContact OG1-N 3.34Å; T235-Y238 PolarHBondContact N-O 3.36Å; T235-Y238 PolarHBondContact OG1-N 3.49Å; T235-Y238 PolarHBondContact OG1-O 2.75Å; T235-I240 HydrophobicContact CG2-CD1 4.31Å; T235-K258 WeakPolarHBondContact O-CE 3.3Å; T235-K258 PolarHBondContact O-NZ 2.66Å; T235-L278 HydrophobicContact CG2-CD2 4.23Å
236G93.2Very high96.4Very high75 Ų7538.9 Ų38.977%0.77321%0.21SC*.SBendtrans-61.7-22170.100000114.1
237E95.1Very high95.7Very high83 Ų8338.7 Ų38.739%0.38821%0.21SC..SBendtrans-115.9-26.3-173-64.3-167.3105.700114.5T235 K258 K269T235-E237 PolarHBondContact O-N 2.84Å; T235-E237 PolarHBondContact OG1-N 3.34Å; E237-K258 PolarHBondContact O-N 3.31Å; E237-K269 IonicContact OE1-NZ 3.82Å; E237-K269 PolarHBondContact OE1-NZ 3.21Å; E237-K269 IonicContact OE2-NZ 3.85Å; E237-K269 PolarHBondContact OE2-NZ 3.04Å
238Y96.7Very high95.2Very high11 Ų1139.4 Ų39.44%0.04321%0.213CC..EExtended strand (participates in β ladder)trans-139.1147.8-167.9-39.4-62.3000112E234 T235 V255 L256 P257 M266E234-Y238 WeakPolarHBondContact CA-O 3.33Å; T235-Y238 PolarHBondContact N-O 3.36Å; T235-Y238 PolarHBondContact OG1-N 3.49Å; T235-Y238 PolarHBondContact OG1-O 2.75Å; Y238-V255 HydrophobicContact CG-CG1 4.5Å; Y238-L256 CarbonylContact C-O 3.55Å; Y238-L256 VanDerWaalsContact CA-O 3.29Å; Y238-L256 WeakPolarHBondContact CA-O 3.45Å; Y238-P257 HydrophobicContact CD1-CB 4.46Å; Y238-M266 HydrophobicContact CD1-CB 4.29Å; Y238-M266 HydrophobicContact CD1-CG 3.76Å; Y238-M266 HydrophobicContact CD1-SD 3.39Å; Y238-M266 WeakPolarHBondContact CD1-SD 3.26Å; Y238-M266 HydrophobicContact CE1-CB 3.58Å; Y238-M266 HydrophobicContact CE1-CG 3.36Å; Y238-M266 HydrophobicContact CE1-SD 3.67Å; Y238-M266 HydrophobicContact CE2-CG 4.41Å; Y238-M266 HydrophobicContact CG-CG 4.47Å; Y238-M266 HydrophobicContact CG-SD 4.02Å
239Q98.5Very high94.7Very high28 Ų2836.5 Ų36.513%0.13120%0.204CC..EExtended strand (participates in β ladder)trans-101.3144.8160.9-62.1177.2-88.800109.1Y232 E234 V255 L256 K372 F373Y232-Q239 HydrophobicContact CE2-CB 4.38Å; Y232-Q239 PolarHBondContact OH-NE2 2.75Å; E234-Q239 HydrophobicContact CG-CG 4Å; Q239-V255 WeakPolarHBondContact O-CA 3.42Å; Q239-L256 HydrophobicContact CB-CB 4.44Å; Q239-L256 PolarHBondContact N-O 3.21Å; Q239-L256 PolarHBondContact O-N 3.39Å; Q239-K372 PolarHBondContact NE2-O 3.35Å; Q239-F373 HydrophobicContact CB-CD2 3.74Å; Q239-F373 HydrophobicContact CB-CE2 3.76Å
240I98.6Very high94.4Very high0 Ų029.3 Ų29.30%017%0.173CC..EExtended strand (participates in β ladder)trans-128.3129.5179.8-53.689.3000108Y232 S233 T235 Y253 F254 V255 L278 F279 T282Y232-I240 VanDerWaalsContact CA-O 3.29Å; Y232-I240 WeakPolarHBondContact CA-O 3.18Å; Y232-I240 WeakPolarHBondContact CD2-O 3.46Å; S233-I240 PolarHBondContact N-O 3.04Å; S233-I240 PolarHBondContact O-N 2.89Å; T235-I240 HydrophobicContact CG2-CD1 4.31Å; I240-Y253 HydrophobicContact CG2-CD1 4.27Å; I240-F254 WeakPolarHBondContact CA-O 3.49Å; I240-V255 HydrophobicContact CG1-CG1 4.25Å; I240-V255 HydrophobicContact CG1-CG2 4.47Å; I240-V255 HydrophobicContact CG2-CG2 4.42Å; I240-L278 HydrophobicContact CD1-CD2 3.95Å; I240-L278 HydrophobicContact CG1-CB 4.34Å; I240-L278 HydrophobicContact CG1-CD2 4.28Å; I240-F279 HydrophobicContact CG2-CD1 4.46Å; I240-T282 HydrophobicContact CB-CG2 4.02Å; I240-T282 HydrophobicContact CG2-CG2 3.53Å
241L98.7Very high94.2Very high0 Ų029.4 Ų29.40%017%0.173CC..EExtended strand (participates in β ladder)trans-130.3130.2178.4176.168.9000109F230 P231 I243 Y253 F254 V289 I291 F373F230-L241 HydrophobicContact CB-CD1 3.73Å; F230-L241 HydrophobicContact CD2-CD1 4.42Å; F230-L241 HydrophobicContact CG-CD1 4.39Å; P231-L241 CarbonylContact O-C 3.46Å; P231-L241 WeakPolarHBondContact O-CA 3.13Å; L241-I243 HydrophobicContact CD2-CD1 4.11Å; L241-I243 HydrophobicContact CD2-CG1 4.22Å; L241-I243 HydrophobicContact CG-CG1 4.13Å; L241-Y253 CarbonylContact O-C 3.59Å; L241-Y253 VanDerWaalsContact O-CA 3.26Å; L241-Y253 WeakPolarHBondContact O-CA 3.29Å; L241-F254 HydrophobicContact CB-CB 4.49Å; L241-F254 PolarHBondContact N-O 3.35Å; L241-F254 PolarHBondContact O-N 3Å; L241-V289 HydrophobicContact CD1-CG2 4.06Å; L241-V289 HydrophobicContact CD2-CB 4.31Å; L241-V289 HydrophobicContact CD2-CG1 3.61Å; L241-V289 HydrophobicContact CD2-CG2 3.74Å; L241-I291 HydrophobicContact CD2-CD1 3.85Å; L241-F373 HydrophobicContact CB-CD1 4.24Å; L241-F373 HydrophobicContact CB-CD2 3.73Å; L241-F373 HydrophobicContact CB-CE1 4.19Å; L241-F373 HydrophobicContact CB-CE2 3.67Å; L241-F373 HydrophobicContact CB-CG 4.01Å; L241-F373 HydrophobicContact CB-CZ 3.92Å; L241-F373 HydrophobicContact CD2-CB 4.26Å; L241-F373 HydrophobicContact CD2-CD1 3.59Å; L241-F373 HydrophobicContact CD2-CD2 4.41Å; L241-F373 HydrophobicContact CD2-CE1 3.98Å; L241-F373 HydrophobicContact CD2-CG 3.84Å
242G98Very high94.2Very high0 Ų028.5 Ų28.50%017%0.168CC..EExtended strand (participates in β ladder)trans-111.3126.617100000110.5P231 M252P231-G242 VanDerWaalsContact CD-O 3.23Å; P231-G242 WeakPolarHBondContact CD-O 3.34Å; P231-G242 PolarHBondContact O-N 3.49Å; G242-M252 CarbonylContact C-O 3.53Å; G242-M252 WeakPolarHBondContact CA-O 3.42Å
243I97Very high94.2Very high0 Ų029.5 Ų29.50%017%0.172CC..EExtended strand (participates in β ladder)trans-114.2117.5174.9-55.8-174.6000108.7W197 F201 F230 L241 M252 F254 V289 I291W197-I243 HydrophobicContact CD2-CG2 4.16Å; W197-I243 HydrophobicContact CE3-CB 4.21Å; W197-I243 HydrophobicContact CE3-CG2 3.44Å; W197-I243 VanDerWaalsContact CE3-CG2 3.44Å; W197-I243 HydrophobicContact CZ3-CB 3.93Å; W197-I243 HydrophobicContact CZ3-CG2 3.69Å; F201-I243 HydrophobicContact CZ-CD1 4.06Å; F230-I243 HydrophobicContact CD1-CG1 4.48Å; F230-I243 HydrophobicContact CD1-CG2 4.44Å; F230-I243 HydrophobicContact CE1-CG2 3.95Å; F230-I243 HydrophobicContact CZ-CG2 4.28Å; L241-I243 HydrophobicContact CD2-CD1 4.11Å; L241-I243 HydrophobicContact CD2-CG1 4.22Å; L241-I243 HydrophobicContact CG-CG1 4.13Å; I243-M252 PolarHBondContact N-O 3.41Å; I243-M252 PolarHBondContact O-N 3.22Å; I243-F254 HydrophobicContact CD1-CE2 4.04Å; I243-F254 HydrophobicContact CG1-CE2 4.27Å; I243-V289 HydrophobicContact CD1-CG1 4.26Å; I243-I291 HydrophobicContact CD1-CD1 3.5Å; I243-I291 VanDerWaalsContact CD1-CD1 3.5Å
244P95Very high94.2Very high21 Ų2128.8 Ų28.814%0.13617%0.167CC..EExtended strand (participates in β ladder)trans-70.4139176.8-18.231.6000112.8K198 L251K198-P244 HydrophobicContact CB-CB 4.17Å; K198-P244 WeakPolarHBondContact CB-O 3.46Å; K198-P244 HydrophobicContact CD-CB 4.32Å; K198-P244 PolarHBondContact N-O 2.91Å; P244-L251 HydrophobicContact CB-CG 4.49Å; P244-L251 HydrophobicContact CG-CD2 4.34Å; P244-L251 HydrophobicContact CG-CG 4.48Å
245Y91.8Very high94.3Very high3 Ų324.3 Ų24.31%0.01215%0.146CC..BIsolated β-bridgetrans-77.1163.5162.6-69.2-77000110.8F193 A195 D196 W197 T247 E248 L250 M252 I383F193-Y245 HydrophobicContact CE1-CE1 4.11Å; F193-Y245 AromaticContact CE1-CE2 3.92Å; F193-Y245 HydrophobicContact CE1-CE2 3.92Å; F193-Y245 AromaticContact CE1-CZ 3.66Å; F193-Y245 HydrophobicContact CZ-CD2 4.17Å; F193-Y245 HydrophobicContact CZ-CE1 4.35Å; F193-Y245 AromaticContact CZ-CE2 3.96Å; F193-Y245 HydrophobicContact CZ-CE2 3.96Å; F193-Y245 HydrophobicContact CZ-CG 4.45Å; A195-Y245 HydrophobicContact CB-CD1 3.34Å; A195-Y245 HydrophobicContact CB-CE1 3.75Å; A195-Y245 HydrophobicContact CB-CG 3.81Å; A195-Y245 WeakPolarHBondContact O-CE1 3.2Å; D196-Y245 CarbonylContact O-C 3.58Å; D196-Y245 VanDerWaalsContact O-CA 3.3Å; D196-Y245 WeakPolarHBondContact O-CA 3.47Å; D196-Y245 WeakPolarHBondContact O-CB 3.41Å; D196-Y245 WeakPolarHBondContact O-CD1 3.45Å; W197-Y245 HydrophobicContact CD2-CD1 4.5Å; W197-Y245 HydrophobicContact CD2-CE1 4.31Å; W197-Y245 AromaticContact CE3-CD1 3.84Å; W197-Y245 HydrophobicContact CE3-CD1 3.84Å; W197-Y245 AromaticContact CE3-CE1 3.74Å; W197-Y245 HydrophobicContact CE3-CE1 3.74Å; W197-Y245 HydrophobicContact CE3-CG 4.46Å; W197-Y245 AromaticContact CH2-CE1 3.9Å; W197-Y245 HydrophobicContact CH2-CE1 3.9Å; W197-Y245 AromaticContact CH2-CZ 3.84Å; W197-Y245 HydrophobicContact CZ2-CE1 4.43Å; W197-Y245 AromaticContact CZ3-CD1 3.99Å; W197-Y245 HydrophobicContact CZ3-CD1 3.99Å; W197-Y245 AromaticContact CZ3-CE1 3.51Å; W197-Y245 HydrophobicContact CZ3-CE1 3.51Å; W197-Y245 HydrophobicContact CZ3-CE2 4.12Å; W197-Y245 HydrophobicContact CZ3-CG 4.49Å; W197-Y245 AromaticContact CZ3-CZ 3.58Å; Y245-T247 PolarHBondContact O-N 3.38Å; Y245-T247 VanDerWaalsContact O-N 3.11Å; Y245-E248 WeakPolarHBondContact O-CA 3.41Å; Y245-E248 PolarHBondContact O-N 2.87Å; Y245-L250 HydrophobicContact CD2-CB 3.75Å; Y245-L250 HydrophobicContact CG-CB 4.49Å; Y245-L250 PolarHBondContact N-O 2.85Å; Y245-M252 HydrophobicContact CE2-CB 3.81Å; Y245-M252 PolarHBondContact OH-SD 3.35Å; Y245-M252 VanDerWaalsContact OH-SD 3.39Å; Y245-I383 HydrophobicContact CE2-CG1 4.23Å; Y245-I383 HydrophobicContact CE2-CG2 4.26Å
246A89.2Confident94.4Very high42 Ų4221.9 Ų21.935%0.34713%0.131SC..THydrogen-bonded Turntrans-57-28.1-177.500000113D196 E248D196-A246 HydrophobicContact CB-CB 4.03Å; D196-A246 WeakPolarHBondContact O-CB 3.37Å; D196-A246 PolarHBondContact O-N 3.46Å; A246-E248 PolarHBondContact O-N 2.76Å
247T83.5Confident94.7Very high19 Ų1918.4 Ų18.412%0.11710%0.095CC..THydrogen-bonded Turntrans-64.2-21.7173.564.30000114.2Y111 Y245 K249 L250Y111-T247 HydrophobicContact CD1-CG2 2.91Å; Y111-T247 HydrophobicContact CE1-CG2 3.28Å; Y111-T247 HydrophobicContact CG-CG2 3.6Å; Y245-T247 PolarHBondContact O-N 3.38Å; Y245-T247 VanDerWaalsContact O-N 3.11Å; T247-K249 PolarHBondContact O-N 3.34Å; T247-K249 PolarHBondContact OG1-N 3.45Å; T247-L250 PolarHBondContact OG1-N 3.33Å
248E85.4Confident94.8Very high84 Ų8418.7 Ų18.739%0.39310%0.095SC..SBendtrans57.3-6.8-167.6-50.8-155.8-151.500115.8K198 Y245 A246K198-E248 HydrophobicContact CD-CG 4.04Å; K198-E248 WeakPolarHBondContact CE-OE1 3.09Å; K198-E248 IonicContact NZ-OE1 3.2Å; K198-E248 PolarHBondContact NZ-OE1 3.39Å; K198-E248 IonicContact NZ-OE2 2.72Å; K198-E248 PolarHBondContact NZ-OE2 3.16Å; Y245-E248 WeakPolarHBondContact O-CA 3.41Å; Y245-E248 PolarHBondContact O-N 2.87Å; A246-E248 PolarHBondContact O-N 2.76Å
249K86.2Confident94.8Very high57 Ų5726.2 Ų26.225%0.24813%0.128CC..SBendtrans-79.6-29.1177.3-67.2167.3-173.4165.20111.6Y104 E109 T247 N385 R386Y104-K249 HydrophobicContact CE1-CD 3.78Å; E109-K249 IonicContact OE2-NZ 3.86Å; E109-K249 PolarHBondContact OE2-NZ 3.43Å; T247-K249 PolarHBondContact O-N 3.34Å; T247-K249 PolarHBondContact OG1-N 3.45Å; K249-N385 WeakPolarHBondContact O-CA 3.44Å; K249-R386 WeakPolarHBondContact O-CB 3.48Å; K249-R386 PolarHBondContact O-N 2.76Å
250L90.8Very high94.6Very high2 Ų230 Ų301%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-113.8135.1-178.8-59.6178.3000110.3F193 Y245 T247 I383 V384 N385F193-L250 HydrophobicContact CD2-CD1 4.39Å; F193-L250 HydrophobicContact CE2-CD1 3.31Å; F193-L250 HydrophobicContact CZ-CD1 3.59Å; Y245-L250 HydrophobicContact CD2-CB 3.75Å; Y245-L250 HydrophobicContact CG-CB 4.49Å; Y245-L250 PolarHBondContact N-O 2.85Å; T247-L250 PolarHBondContact OG1-N 3.33Å; L250-I383 HydrophobicContact CB-CG2 4.32Å; L250-I383 HydrophobicContact CD1-CG2 4.47Å; L250-I383 HydrophobicContact CD2-CG2 4.47Å; L250-V384 WeakPolarHBondContact CA-O 3.26Å; L250-N385 HydrophobicContact CD2-CB 4Å
251L94.7Very high94.4Very high7 Ų734.1 Ų34.14%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-116.5138.1167.7-7591.2000109.3P231 P244 Y253 I383 V384 R386P231-L251 HydrophobicContact CG-CD2 4.06Å; P244-L251 HydrophobicContact CB-CG 4.49Å; P244-L251 HydrophobicContact CG-CD2 4.34Å; P244-L251 HydrophobicContact CG-CG 4.48Å; L251-Y253 HydrophobicContact CB-CD2 4.24Å; L251-Y253 HydrophobicContact CB-CE2 3.81Å; L251-Y253 HydrophobicContact CD2-CE2 4.49Å; L251-I383 WeakPolarHBondContact O-CA 3.24Å; L251-V384 PolarHBondContact N-O 3.03Å; L251-V384 PolarHBondContact O-N 2.87Å; L251-R386 HydrophobicContact CD1-CB 3.73Å; L251-R386 HydrophobicContact CD1-CG 3.78Å
252M96.9Very high94.2Very high0 Ų034.8 Ų34.80%017%0.166CC..EExtended strand (participates in β ladder)trans-90.4118161.9-169.3160.4-17700109.2W197 G242 I243 Y245 F254 F294 I344 F381 A382 I383W197-M252 HydrophobicContact CH2-CB 3.9Å; W197-M252 HydrophobicContact CH2-CG 4.33Å; W197-M252 HydrophobicContact CH2-SD 3.63Å; W197-M252 HydrophobicContact CZ2-SD 4.49Å; W197-M252 HydrophobicContact CZ3-CB 3.84Å; W197-M252 HydrophobicContact CZ3-SD 4.47Å; G242-M252 CarbonylContact C-O 3.53Å; G242-M252 WeakPolarHBondContact CA-O 3.42Å; I243-M252 PolarHBondContact N-O 3.41Å; I243-M252 PolarHBondContact O-N 3.22Å; Y245-M252 HydrophobicContact CE2-CB 3.81Å; Y245-M252 PolarHBondContact OH-SD 3.35Å; Y245-M252 VanDerWaalsContact OH-SD 3.39Å; M252-F254 HydrophobicContact CB-CE2 4.14Å; M252-F254 HydrophobicContact CE-CE1 3.63Å; M252-F254 HydrophobicContact CE-CE2 4.48Å; M252-F254 HydrophobicContact CE-CZ 3.59Å; M252-F254 HydrophobicContact CG-CD2 4.39Å; M252-F254 HydrophobicContact CG-CE1 4.42Å; M252-F254 HydrophobicContact CG-CE2 3.66Å; M252-F254 HydrophobicContact CG-CZ 3.68Å; M252-F254 HydrophobicContact SD-CE1 4.23Å; M252-F254 HydrophobicContact SD-CE2 4.1Å; M252-F254 HydrophobicContact SD-CZ 3.54Å; M252-F254 VanDerWaalsContact SD-CZ 3.54Å; M252-F294 HydrophobicContact CE-CZ 4.19Å; M252-I344 HydrophobicContact CE-CD1 3.69Å; M252-I344 HydrophobicContact CE-CG1 3.88Å; M252-I344 HydrophobicContact SD-CD1 3.34Å; M252-I344 WeakPolarHBondContact SD-CD1 3.36Å; M252-I344 HydrophobicContact SD-CG1 4.13Å; M252-F381 HydrophobicContact CE-CB 3.61Å; M252-F381 HydrophobicContact CE-CD2 3.64Å; M252-F381 HydrophobicContact CE-CG 3.79Å; M252-A382 CarbonylContact C-O 3.41Å; M252-A382 WeakPolarHBondContact CA-O 3.28Å; M252-I383 HydrophobicContact CG-CG1 4.35Å
253Y98.3Very high94.1Very high24 Ų2434.9 Ų34.99%0.09417%0.166CC..EExtended strand (participates in β ladder)trans-95.1141.9171.1-72.3-80.5000110.7I240 L241 L251 F279 T282 F381 A382 V384I240-Y253 HydrophobicContact CG2-CD1 4.27Å; L241-Y253 CarbonylContact O-C 3.59Å; L241-Y253 VanDerWaalsContact O-CA 3.26Å; L241-Y253 WeakPolarHBondContact O-CA 3.29Å; L251-Y253 HydrophobicContact CB-CD2 4.24Å; L251-Y253 HydrophobicContact CB-CE2 3.81Å; L251-Y253 HydrophobicContact CD2-CE2 4.49Å; Y253-F279 HydrophobicContact CD1-CB 4.21Å; Y253-F279 AromaticContact CD1-CD1 3.62Å; Y253-F279 HydrophobicContact CD1-CD1 3.62Å; Y253-F279 HydrophobicContact CD1-CE1 4.25Å; Y253-F279 HydrophobicContact CD1-CG 4.08Å; Y253-F279 HydrophobicContact CD2-CB 4.25Å; Y253-F279 AromaticContact CD2-CD1 3.87Å; Y253-F279 HydrophobicContact CD2-CD1 3.87Å; Y253-F279 HydrophobicContact CD2-CD2 4.05Å; Y253-F279 HydrophobicContact CD2-CE1 4.17Å; Y253-F279 HydrophobicContact CD2-CE2 4.33Å; Y253-F279 AromaticContact CD2-CG 3.8Å; Y253-F279 HydrophobicContact CD2-CG 3.8Å; Y253-F279 HydrophobicContact CD2-CZ 4.37Å; Y253-F279 HydrophobicContact CE1-CB 3.88Å; Y253-F279 HydrophobicContact CE1-CD1 4.19Å; Y253-F279 HydrophobicContact CE1-CG 4.25Å; Y253-F279 HydrophobicContact CE2-CB 3.92Å; Y253-F279 HydrophobicContact CE2-CD1 4.4Å; Y253-F279 HydrophobicContact CE2-CD2 4.28Å; Y253-F279 AromaticContact CE2-CG 3.97Å; Y253-F279 HydrophobicContact CE2-CG 3.97Å; Y253-F279 HydrophobicContact CG-CB 4.38Å; Y253-F279 AromaticContact CG-CD1 3.42Å; Y253-F279 HydrophobicContact CG-CD1 3.42Å; Y253-F279 VanDerWaalsContact CG-CD1 3.42Å; Y253-F279 HydrophobicContact CG-CD2 4.45Å; Y253-F279 AromaticContact CG-CE1 3.69Å; Y253-F279 HydrophobicContact CG-CE1 3.69Å; Y253-F279 AromaticContact CG-CG 3.84Å; Y253-F279 HydrophobicContact CG-CG 3.84Å; Y253-F279 HydrophobicContact CG-CZ 4.29Å; Y253-T282 HydrophobicContact CE1-CG2 4.22Å; Y253-F381 CarbonylContact O-C 3.55Å; Y253-F381 VanDerWaalsContact O-CA 3.23Å; Y253-F381 WeakPolarHBondContact O-CA 3.24Å; Y253-A382 PolarHBondContact N-O 2.84Å; Y253-A382 PolarHBondContact O-N 2.89Å; Y253-V384 HydrophobicContact CD2-CB 4.09Å; Y253-V384 HydrophobicContact CD2-CG2 3.87Å; Y253-V384 HydrophobicContact CE2-CB 4.1Å; Y253-V384 HydrophobicContact CE2-CG2 4.29Å
254F98.6Very high93.9Very high0 Ų041.2 Ų41.20%019%0.194CC..EExtended strand (participates in β ladder)trans-120.4128.3169.9-58.2-93.8000107.9I240 L241 I243 M252 I291 F373 F379 L380 F381I240-F254 WeakPolarHBondContact CA-O 3.49Å; L241-F254 HydrophobicContact CB-CB 4.49Å; L241-F254 PolarHBondContact N-O 3.35Å; L241-F254 PolarHBondContact O-N 3Å; I243-F254 HydrophobicContact CD1-CE2 4.04Å; I243-F254 HydrophobicContact CG1-CE2 4.27Å; M252-F254 HydrophobicContact CB-CE2 4.14Å; M252-F254 HydrophobicContact CE-CE1 3.63Å; M252-F254 HydrophobicContact CE-CE2 4.48Å; M252-F254 HydrophobicContact CE-CZ 3.59Å; M252-F254 HydrophobicContact CG-CD2 4.39Å; M252-F254 HydrophobicContact CG-CE1 4.42Å; M252-F254 HydrophobicContact CG-CE2 3.66Å; M252-F254 HydrophobicContact CG-CZ 3.68Å; M252-F254 HydrophobicContact SD-CE1 4.23Å; M252-F254 HydrophobicContact SD-CE2 4.1Å; M252-F254 HydrophobicContact SD-CZ 3.54Å; M252-F254 VanDerWaalsContact SD-CZ 3.54Å; F254-I291 HydrophobicContact CD1-CD1 4.37Å; F254-I291 HydrophobicContact CD1-CG2 4.26Å; F254-I291 HydrophobicContact CD2-CD1 3.8Å; F254-I291 HydrophobicContact CE1-CD1 4.14Å; F254-I291 HydrophobicContact CE1-CG2 3.6Å; F254-I291 HydrophobicContact CE2-CD1 3.56Å; F254-I291 HydrophobicContact CG-CD1 4.21Å; F254-I291 HydrophobicContact CZ-CD1 3.74Å; F254-I291 HydrophobicContact CZ-CG2 3.86Å; F254-F373 HydrophobicContact CB-CE1 3.81Å; F254-F373 HydrophobicContact CB-CZ 3.5Å; F254-F373 HydrophobicContact CG-CE1 4.48Å; F254-F379 AromaticContact CD1-CD2 3.95Å; F254-F379 HydrophobicContact CD1-CD2 3.95Å; F254-F379 AromaticContact CD1-CE2 3.63Å; F254-F379 HydrophobicContact CD1-CE2 3.63Å; F254-F379 HydrophobicContact CD1-CZ 4.41Å; F254-F379 AromaticContact CE1-CE2 3.99Å; F254-F379 HydrophobicContact CE1-CE2 3.99Å; F254-L380 CarbonylContact C-O 3.59Å; F254-L380 WeakPolarHBondContact CA-O 3.37Å; F254-F381 HydrophobicContact CD1-CB 4.16Å; F254-F381 HydrophobicContact CE1-CB 4.33Å
255V98.5Very high93.9Very high1 Ų143.2 Ų43.21%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-117.5109174.9-171.50000107.9Y238 Q239 I240 M266 L278 F279 L380Y238-V255 HydrophobicContact CG-CG1 4.5Å; Q239-V255 WeakPolarHBondContact O-CA 3.42Å; I240-V255 HydrophobicContact CG1-CG1 4.25Å; I240-V255 HydrophobicContact CG1-CG2 4.47Å; I240-V255 HydrophobicContact CG2-CG2 4.42Å; V255-M266 HydrophobicContact CB-CE 4.03Å; V255-M266 HydrophobicContact CB-SD 4.38Å; V255-M266 HydrophobicContact CG1-CE 3.82Å; V255-M266 HydrophobicContact CG1-SD 3.54Å; V255-M266 VanDerWaalsContact CG1-SD 3.54Å; V255-L278 HydrophobicContact CG1-CD1 4.35Å; V255-F279 HydrophobicContact CG2-CE1 3.88Å; V255-L380 HydrophobicContact CB-CB 4.2Å; V255-L380 HydrophobicContact CB-CD2 4.24Å; V255-L380 HydrophobicContact CG2-CD2 4.15Å; V255-L380 PolarHBondContact N-O 3.29Å; V255-L380 PolarHBondContact O-N 2.64Å
256L98.6Very high94.1Very high2 Ų243.1 Ų43.11%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-106.7118.4-173.6-177.669.5000110Y238 Q239 F373 I374 A375 H377 F379Y238-L256 CarbonylContact C-O 3.55Å; Y238-L256 VanDerWaalsContact CA-O 3.29Å; Y238-L256 WeakPolarHBondContact CA-O 3.45Å; Q239-L256 HydrophobicContact CB-CB 4.44Å; Q239-L256 PolarHBondContact N-O 3.21Å; Q239-L256 PolarHBondContact O-N 3.39Å; L256-F373 HydrophobicContact CB-CE1 4.39Å; L256-F373 HydrophobicContact CB-CE2 3.71Å; L256-F373 HydrophobicContact CB-CZ 3.57Å; L256-F373 HydrophobicContact CD2-CE1 4.46Å; L256-F373 HydrophobicContact CD2-CE2 4.37Å; L256-F373 HydrophobicContact CD2-CZ 4.3Å; L256-I374 WeakPolarHBondContact CD2-O 3.4Å; L256-A375 HydrophobicContact CD1-CB 4.4Å; L256-H377 VanDerWaalsContact CD1-CE1 3.46Å; L256-H377 WeakPolarHBondContact CD1-CE1 3.29Å; L256-H377 WeakPolarHBondContact CD1-NE2 3.35Å; L256-F379 HydrophobicContact CD1-CB 3.84Å
257P98.2Very high94.3Very high2 Ų241.4 Ų41.41%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-61.5135.8170-19.731.9000112Y238 K259 L263 M266 H377Y238-P257 HydrophobicContact CD1-CB 4.46Å; P257-K259 WeakPolarHBondContact CB-O 3.13Å; P257-K259 PolarHBondContact O-N 2.84Å; P257-L263 HydrophobicContact CG-CB 4.08Å; P257-L263 HydrophobicContact CG-CD1 4.39Å; P257-M266 HydrophobicContact CG-SD 3.95Å; P257-H377 PolarHBondContact O-CE1 2.76Å; P257-H377 PolarHBondContact O-NE2 2.88Å
258K97.9Very high94.8Very high90 Ų9047.6 Ų47.639%0.39121%0.209SC..SBendtrans-66.3-26.2172.4-68.8-176.2175.4-173.60112.7E234 T235 E237E234-K258 VanDerWaalsContact CG-CE 3.41Å; E234-K258 WeakPolarHBondContact OE1-CE 3.22Å; E234-K258 IonicContact OE1-NZ 2.89Å; E234-K258 PolarHBondContact OE1-NZ 3.1Å; T235-K258 WeakPolarHBondContact O-CE 3.3Å; T235-K258 PolarHBondContact O-NZ 2.66Å; E237-K258 PolarHBondContact O-N 3.31Å
259K96.8Very high95.3Very high169 Ų16947.4 Ų47.474%0.73521%0.207SC*.SBendtrans-89.1120.7172.2-67-175.2178.5-1770108.6P257 F261 G262P257-K259 WeakPolarHBondContact CB-O 3.13Å; P257-K259 PolarHBondContact O-N 2.84Å; K259-F261 PolarHBondContact O-N 2.96Å; K259-G262 WeakPolarHBondContact O-CA 3.23Å; K259-G262 PolarHBondContact O-N 3.19Å
260R94.6Very high95.7Very high108 Ų10845.2 Ų45.241%0.40820%0.198SC..THydrogen-bonded Turntrans-44.5-33.5-176.2-168.8177.2-77.8165.10.4116.4Y212 H377Y212-R260 HydrophobicContact CD2-CG 4.44Å; Y212-R260 HydrophobicContact CG-CG 4.34Å; R260-H377 VanDerWaalsContact CA-CD2 3.49Å; R260-H377 WeakPolarHBondContact CA-CD2 3.47Å; R260-H377 HydrophobicContact CB-CB 4.49Å; R260-H377 HydrophobicContact CG-CB 3.56Å; R260-H377 WeakPolarHBondContact O-CB 3.46Å; R260-H377 PolarHBondContact O-CD2 3.36Å
261F94.2Very high95.9Very high86 Ų8649.6 Ų49.638%0.37722%0.218SC..THydrogen-bonded Turntrans-11928.9179-51.1-58.5000112.4Y212 K214 Q215 K259Y212-F261 WeakPolarHBondContact O-CE1 3.25Å; K214-F261 VanDerWaalsContact C-CZ 3.46Å; K214-F261 VanDerWaalsContact CA-CE1 3.41Å; Q215-F261 HydrophobicContact CB-CE2 4.39Å; Q215-F261 HydrophobicContact CG-CD2 3.57Å; Q215-F261 HydrophobicContact CG-CE2 3.63Å; Q215-F261 HydrophobicContact CG-CG 4.28Å; Q215-F261 HydrophobicContact CG-CZ 4.37Å; K259-F261 PolarHBondContact O-N 2.96Å
262G95.1Very high95.9Very high14 Ų1449.2 Ų49.214%0.14422%0.216CC..  trans-82.6-9.5-175.700000114.7K259 K264 N265 M266K259-G262 WeakPolarHBondContact O-CA 3.23Å; K259-G262 PolarHBondContact O-N 3.19Å; G262-K264 PolarHBondContact O-N 3.36Å; G262-N265 WeakPolarHBondContact O-CB 3.39Å; G262-N265 PolarHBondContact O-N 3.3Å; G262-M266 PolarHBondContact O-N 3.41Å
263L95.8Very high95.8Very high2 Ų254.1 Ų54.11%0.0124%0.237CC..Hα-helixtrans-57.6-48-171.5-179.359.4000112.5P257 N265 M266 M267 P378 L380 D396 Y398P257-L263 HydrophobicContact CG-CB 4.08Å; P257-L263 HydrophobicContact CG-CD1 4.39Å; L263-N265 PolarHBondContact O-N 3.03Å; L263-M266 HydrophobicContact CD1-CE 3.36Å; L263-M266 WeakPolarHBondContact O-CA 3.42Å; L263-M266 VanDerWaalsContact O-CB 3.32Å; L263-M266 WeakPolarHBondContact O-CB 3.25Å; L263-M266 PolarHBondContact O-N 3.02Å; L263-M267 HydrophobicContact CD1-CG 3.98Å; L263-M267 HydrophobicContact CD1-SD 4.16Å; L263-M267 HydrophobicContact CG-CG 4.29Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 2.88Å; L263-P378 HydrophobicContact CB-CB 4.15Å; L263-P378 HydrophobicContact CD2-CB 3.6Å; L263-L380 HydrophobicContact CD1-CB 4.19Å; L263-D396 HydrophobicContact CD2-CB 3.69Å; L263-Y398 HydrophobicContact CD2-CE2 3.76Å
264K93Very high95.7Very high133 Ų13355.9 Ų55.958%0.57825%0.246SC*.Hα-helixtrans-57.7-37.3178-165.3-174.7178.6173.50112.3G262 R268G262-K264 PolarHBondContact O-N 3.36Å; K264-R268 WeakPolarHBondContact O-CG 3.39Å; K264-R268 PolarHBondContact O-N 3.29Å; K264-R268 PolarHBondContact O-NH1 3.22Å
265N94.1Very high95.6Very high62 Ų6255.9 Ų55.933%0.33225%0.246SC..Hα-helixtrans-74.2-36.5177.1-17057000112.2G262 L263 R268 K269G262-N265 WeakPolarHBondContact O-CB 3.39Å; G262-N265 PolarHBondContact O-N 3.3Å; L263-N265 PolarHBondContact O-N 3.03Å; N265-R268 PolarHBondContact OD1-NH2 3.43Å; N265-K269 WeakPolarHBondContact ND2-CE 3.29Å; N265-K269 WeakPolarHBondContact O-CG 3.35Å; N265-K269 PolarHBondContact O-N 2.78Å
266M95.5Very high95.5Very high1 Ų156 Ų561%0.00525%0.246CC..Hα-helixtrans-59.6-52.8172.3-176.4178.589.900110.5Y238 V255 P257 G262 L263 R268 K269 L270 L380Y238-M266 HydrophobicContact CD1-CB 4.29Å; Y238-M266 HydrophobicContact CD1-CG 3.76Å; Y238-M266 HydrophobicContact CD1-SD 3.39Å; Y238-M266 WeakPolarHBondContact CD1-SD 3.26Å; Y238-M266 HydrophobicContact CE1-CB 3.58Å; Y238-M266 HydrophobicContact CE1-CG 3.36Å; Y238-M266 HydrophobicContact CE1-SD 3.67Å; Y238-M266 HydrophobicContact CE2-CG 4.41Å; Y238-M266 HydrophobicContact CG-CG 4.47Å; Y238-M266 HydrophobicContact CG-SD 4.02Å; V255-M266 HydrophobicContact CB-CE 4.03Å; V255-M266 HydrophobicContact CB-SD 4.38Å; V255-M266 HydrophobicContact CG1-CE 3.82Å; V255-M266 HydrophobicContact CG1-SD 3.54Å; V255-M266 VanDerWaalsContact CG1-SD 3.54Å; P257-M266 HydrophobicContact CG-SD 3.95Å; G262-M266 PolarHBondContact O-N 3.41Å; L263-M266 HydrophobicContact CD1-CE 3.36Å; L263-M266 WeakPolarHBondContact O-CA 3.42Å; L263-M266 VanDerWaalsContact O-CB 3.32Å; L263-M266 WeakPolarHBondContact O-CB 3.25Å; L263-M266 PolarHBondContact O-N 3.02Å; M266-R268 VanDerWaalsContact C-N 3.32Å; M266-R268 PolarHBondContact O-N 3.27Å; M266-K269 PolarHBondContact O-N 2.93Å; M266-L270 HydrophobicContact CE-CD1 4.35Å; M266-L270 HydrophobicContact CG-CD1 4.18Å; M266-L270 HydrophobicContact CG-CG 4.44Å; M266-L270 WeakPolarHBondContact O-CG 3.48Å; M266-L270 PolarHBondContact O-N 3.47Å; M266-L380 HydrophobicContact CE-CB 3.52Å; M266-L380 HydrophobicContact CE-CD2 4.06Å; M266-L380 HydrophobicContact CE-CG 4.45Å
267M94.9Very high95.4Very high7 Ų759.5 Ų59.53%0.03427%0.265CS..Hα-helixtrans-58-41.5-177.7-65.5-49.1-73.300112.1L38 Y41 H42 L263 K269 L270 L380L38-M267 HydrophobicContact CD2-CE 4.03Å; Y41-M267 HydrophobicContact CD1-CE 3.59Å; Y41-M267 HydrophobicContact CE1-CE 3.19Å; Y41-M267 HydrophobicContact CE1-CG 4.28Å; Y41-M267 HydrophobicContact CE2-CE 4.36Å; Y41-M267 HydrophobicContact CG-CE 4.36Å; H42-M267 PolarHBondContact CE1-O 3Å; H42-M267 VanDerWaalsContact CE1-O 3.27Å; H42-M267 PolarHBondContact NE2-O 3.1Å; L263-M267 HydrophobicContact CD1-CG 3.98Å; L263-M267 HydrophobicContact CD1-SD 4.16Å; L263-M267 HydrophobicContact CG-CG 4.29Å; L263-M267 WeakPolarHBondContact O-CG 3.38Å; L263-M267 PolarHBondContact O-N 2.88Å; M267-K269 PolarHBondContact O-N 3.31Å; M267-L270 PolarHBondContact O-N 2.79Å; M267-L270 HydrophobicContact SD-CD1 3.83Å; M267-L380 HydrophobicContact CE-CD1 3.87Å; M267-L380 HydrophobicContact SD-CB 4.29Å; M267-L380 HydrophobicContact SD-CD1 4.04Å; M267-L380 HydrophobicContact SD-CD2 4.09Å; M267-L380 HydrophobicContact SD-CG 4.37Å
268R93.3Very high95.3Very high149 Ų14960.1 Ų60.156%0.56227%0.268SS*.Hα-helixtrans-61.3-25.2175.3-73.4-169.2-56.6-94.64.6114.7K264 N265 M266K264-R268 WeakPolarHBondContact O-CG 3.39Å; K264-R268 PolarHBondContact O-N 3.29Å; K264-R268 PolarHBondContact O-NH1 3.22Å; N265-R268 PolarHBondContact OD1-NH2 3.43Å; M266-R268 VanDerWaalsContact C-N 3.32Å; M266-R268 PolarHBondContact O-N 3.27Å
269K94.7Very high95.3Very high79 Ų7956 Ų5634%0.34325%0.25SC..THydrogen-bonded Turntrans-94.9-5.3-177.8-67.4174.6175.5-172.50112.7E237 N265 M266 M267 K274E237-K269 IonicContact OE1-NZ 3.82Å; E237-K269 PolarHBondContact OE1-NZ 3.21Å; E237-K269 IonicContact OE2-NZ 3.85Å; E237-K269 PolarHBondContact OE2-NZ 3.04Å; N265-K269 WeakPolarHBondContact ND2-CE 3.29Å; N265-K269 WeakPolarHBondContact O-CG 3.35Å; N265-K269 PolarHBondContact O-N 2.78Å; M266-K269 PolarHBondContact O-N 2.93Å; M267-K269 PolarHBondContact O-N 3.31Å; K269-K274 WeakPolarHBondContact O-CD 3.46Å; K269-K274 PolarHBondContact O-NZ 3.35Å; K269-K274 VanDerWaalsContact O-NZ 3.09Å
270L95.6Very high95.2Very high12 Ų1252 Ų526%0.06324%0.237CC..  trans-88.5142.6-178.7-72.2176.3000110.5L38 M266 M267 K274 L275 L278 L380L38-L270 HydrophobicContact CD1-CB 4.04Å; L38-L270 HydrophobicContact CD2-CB 4.37Å; M266-L270 HydrophobicContact CE-CD1 4.35Å; M266-L270 HydrophobicContact CG-CD1 4.18Å; M266-L270 HydrophobicContact CG-CG 4.44Å; M266-L270 WeakPolarHBondContact O-CG 3.48Å; M266-L270 PolarHBondContact O-N 3.47Å; M267-L270 PolarHBondContact O-N 2.79Å; M267-L270 HydrophobicContact SD-CD1 3.83Å; L270-K274 HydrophobicContact CD2-CD 4.28Å; L270-K274 HydrophobicContact CD2-CG 4.12Å; L270-L275 HydrophobicContact CD1-CD1 4.41Å; L270-L278 HydrophobicContact CD2-CD1 3.68Å; L270-L380 HydrophobicContact CD1-CD2 3.89Å
271H94.5Very high95.3Very high93 Ų9349.5 Ų49.543%0.43124%0.236SC..  trans-142.5166167.160.488.9000107.4L38 K273 K274 L275L38-H271 VanDerWaalsContact CD1-CA 3.48Å; H271-K273 VanDerWaalsContact C-N 3.34Å; H271-K273 PolarHBondContact O-N 2.96Å; H271-K273 VanDerWaalsContact O-N 3.17Å; H271-K274 PolarHBondContact O-N 3.32Å; H271-L275 PolarHBondContact O-N 2.86Å
272G94.3Very high95.4Very high0 Ų046.4 Ų46.40%022%0.224CC..Hα-helixtrans-50.8-49.5-167.500000113.8K274 L275 L276G272-K274 PolarHBondContact O-N 2.99Å; G272-L275 PolarHBondContact O-N 2.8Å; G272-L276 WeakPolarHBondContact O-CG 3.16Å; G272-L276 PolarHBondContact O-N 2.95Å; G272-L276 VanDerWaalsContact O-N 3.13Å
273K95.3Very high95.5Very high103 Ų10351.5 Ų51.545%0.44825%0.247SC..Hα-helixtrans-59.1-47.9177.4-174-169-178.7-51.30112.7V31 H271 L275 L276 D277V31-K273 HydrophobicContact CG1-CB 4.08Å; V31-K273 HydrophobicContact CG2-CB 4.4Å; H271-K273 VanDerWaalsContact C-N 3.34Å; H271-K273 PolarHBondContact O-N 2.96Å; H271-K273 VanDerWaalsContact O-N 3.17Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.83Å; K273-L276 PolarHBondContact O-N 3.01Å; K273-D277 IonicContact NZ-OD1 2.76Å; K273-D277 PolarHBondContact NZ-OD1 3.36Å; K273-D277 IonicContact NZ-OD2 3.72Å; K273-D277 PolarHBondContact NZ-OD2 3.25Å; K273-D277 PolarHBondContact O-N 3.18Å
274K95.8Very high95.6Very high61 Ų6158.7 Ų58.727%0.26528%0.28SS..Hα-helixtrans-65.6-35.4-178.2-177.8173.8175.8-1770112K269 L270 H271 G272 D277 L278K269-K274 WeakPolarHBondContact O-CD 3.46Å; K269-K274 PolarHBondContact O-NZ 3.35Å; K269-K274 VanDerWaalsContact O-NZ 3.09Å; L270-K274 HydrophobicContact CD2-CD 4.28Å; L270-K274 HydrophobicContact CD2-CG 4.12Å; H271-K274 PolarHBondContact O-N 3.32Å; G272-K274 PolarHBondContact O-N 2.99Å; K274-D277 PolarHBondContact O-N 3.19Å; K274-L278 VanDerWaalsContact O-CG 3.32Å; K274-L278 WeakPolarHBondContact O-CG 3.39Å; K274-L278 PolarHBondContact O-N 2.8Å
275L97.1Very high95.7Very high0 Ų057.4 Ų57.40%027%0.271CS..Hα-helixtrans-61.8-46.6174.4-179.967.9000111L38 L270 H271 G272 K273 L278 F279 L380 I394L38-L275 HydrophobicContact CD1-CB 4.16Å; L38-L275 HydrophobicContact CD1-CD2 4.2Å; L38-L275 HydrophobicContact CD2-CD2 4.32Å; L38-L275 HydrophobicContact CG-CD2 4.22Å; L270-L275 HydrophobicContact CD1-CD1 4.41Å; H271-L275 PolarHBondContact O-N 2.86Å; G272-L275 PolarHBondContact O-N 2.8Å; K273-L275 VanDerWaalsContact C-N 3.3Å; K273-L275 PolarHBondContact O-N 2.83Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.45Å; L275-F279 HydrophobicContact CD1-CE1 4Å; L275-F279 HydrophobicContact CD1-CE2 4Å; L275-F279 HydrophobicContact CD1-CZ 3.5Å; L275-F279 HydrophobicContact CD2-CE2 4.27Å; L275-F279 HydrophobicContact CD2-CZ 4.41Å; L275-F279 HydrophobicContact CG-CE2 3.75Å; L275-F279 HydrophobicContact CG-CZ 3.81Å; L275-F279 WeakPolarHBondContact O-CG 3.49Å; L275-F279 PolarHBondContact O-N 3.47Å; L275-L380 HydrophobicContact CD1-CD2 3.84Å; L275-I394 HydrophobicContact CD2-CD1 3.88Å
276L96.3Very high95.9Very high4 Ų459.5 Ų59.52%0.02128%0.278CS..Hα-helixtrans-66.8-40.2176.9-63.3179.6000112.4D30 V31 A34 G272 K273 L278 F279 D280 R389D30-L276 HydrophobicContact CB-CD1 3.91Å; D30-L276 VanDerWaalsContact OD2-CD1 3.29Å; D30-L276 WeakPolarHBondContact OD2-CD1 3.14Å; V31-L276 HydrophobicContact CG2-CD1 4.03Å; A34-L276 HydrophobicContact CB-CD1 4.1Å; A34-L276 HydrophobicContact CB-CD2 4.34Å; A34-L276 HydrophobicContact CB-CG 4.05Å; G272-L276 WeakPolarHBondContact O-CG 3.16Å; G272-L276 PolarHBondContact O-N 2.95Å; G272-L276 VanDerWaalsContact O-N 3.13Å; K273-L276 PolarHBondContact O-N 3.01Å; L276-L278 VanDerWaalsContact C-N 3.26Å; L276-L278 PolarHBondContact O-N 3.09Å; L276-F279 HydrophobicContact CD2-CD2 4.25Å; L276-F279 PolarHBondContact O-N 3Å; L276-F279 VanDerWaalsContact O-N 3.13Å; L276-D280 WeakPolarHBondContact O-CB 3.42Å; L276-D280 PolarHBondContact O-N 2.98Å; L276-R389 HydrophobicContact CD2-CB 4.18Å
277D95.7Very high96Very high75 Ų7559.4 Ų59.440%0.40128%0.277SS..Hα-helixtrans-59.3-37.6175.2-65-25.8000111.2K273 K274 S281K273-D277 IonicContact NZ-OD1 2.76Å; K273-D277 PolarHBondContact NZ-OD1 3.36Å; K273-D277 IonicContact NZ-OD2 3.72Å; K273-D277 PolarHBondContact NZ-OD2 3.25Å; K273-D277 PolarHBondContact O-N 3.18Å; K274-D277 PolarHBondContact O-N 3.19Å; D277-S281 WeakPolarHBondContact O-CB 3.1Å; D277-S281 PolarHBondContact O-N 2.71Å
278L97Very high96.2Very high14 Ų1461 Ų617%0.07329%0.285CS..Hα-helixtrans-62.7-44.9174.8-73.9173.8000111.5T235 I240 V255 L270 K274 L275 L276 S281T235-L278 HydrophobicContact CG2-CD2 4.23Å; I240-L278 HydrophobicContact CD1-CD2 3.95Å; I240-L278 HydrophobicContact CG1-CB 4.34Å; I240-L278 HydrophobicContact CG1-CD2 4.28Å; V255-L278 HydrophobicContact CG1-CD1 4.35Å; L270-L278 HydrophobicContact CD2-CD1 3.68Å; K274-L278 VanDerWaalsContact O-CG 3.32Å; K274-L278 WeakPolarHBondContact O-CG 3.39Å; K274-L278 PolarHBondContact O-N 2.8Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.45Å; L276-L278 VanDerWaalsContact C-N 3.26Å; L276-L278 PolarHBondContact O-N 3.09Å; L278-S281 PolarHBondContact O-N 3.28Å; L278-S281 PolarHBondContact O-OG 2.84Å
279F97Very high96.4Very high4 Ų454 Ų542%0.01826%0.258CS..Hα-helixtrans-65.9-45.3177.4-59.4-23.9000112I240 Y253 V255 L275 L276 S281 T282 A382 V384I240-F279 HydrophobicContact CG2-CD1 4.46Å; Y253-F279 HydrophobicContact CD1-CB 4.21Å; Y253-F279 AromaticContact CD1-CD1 3.62Å; Y253-F279 HydrophobicContact CD1-CD1 3.62Å; Y253-F279 HydrophobicContact CD1-CE1 4.25Å; Y253-F279 HydrophobicContact CD1-CG 4.08Å; Y253-F279 HydrophobicContact CD2-CB 4.25Å; Y253-F279 AromaticContact CD2-CD1 3.87Å; Y253-F279 HydrophobicContact CD2-CD1 3.87Å; Y253-F279 HydrophobicContact CD2-CD2 4.05Å; Y253-F279 HydrophobicContact CD2-CE1 4.17Å; Y253-F279 HydrophobicContact CD2-CE2 4.33Å; Y253-F279 AromaticContact CD2-CG 3.8Å; Y253-F279 HydrophobicContact CD2-CG 3.8Å; Y253-F279 HydrophobicContact CD2-CZ 4.37Å; Y253-F279 HydrophobicContact CE1-CB 3.88Å; Y253-F279 HydrophobicContact CE1-CD1 4.19Å; Y253-F279 HydrophobicContact CE1-CG 4.25Å; Y253-F279 HydrophobicContact CE2-CB 3.92Å; Y253-F279 HydrophobicContact CE2-CD1 4.4Å; Y253-F279 HydrophobicContact CE2-CD2 4.28Å; Y253-F279 AromaticContact CE2-CG 3.97Å; Y253-F279 HydrophobicContact CE2-CG 3.97Å; Y253-F279 HydrophobicContact CG-CB 4.38Å; Y253-F279 AromaticContact CG-CD1 3.42Å; Y253-F279 HydrophobicContact CG-CD1 3.42Å; Y253-F279 VanDerWaalsContact CG-CD1 3.42Å; Y253-F279 HydrophobicContact CG-CD2 4.45Å; Y253-F279 AromaticContact CG-CE1 3.69Å; Y253-F279 HydrophobicContact CG-CE1 3.69Å; Y253-F279 AromaticContact CG-CG 3.84Å; Y253-F279 HydrophobicContact CG-CG 3.84Å; Y253-F279 HydrophobicContact CG-CZ 4.29Å; V255-F279 HydrophobicContact CG2-CE1 3.88Å; L275-F279 HydrophobicContact CD1-CE1 4Å; L275-F279 HydrophobicContact CD1-CE2 4Å; L275-F279 HydrophobicContact CD1-CZ 3.5Å; L275-F279 HydrophobicContact CD2-CE2 4.27Å; L275-F279 HydrophobicContact CD2-CZ 4.41Å; L275-F279 HydrophobicContact CG-CE2 3.75Å; L275-F279 HydrophobicContact CG-CZ 3.81Å; L275-F279 WeakPolarHBondContact O-CG 3.49Å; L275-F279 PolarHBondContact O-N 3.47Å; L276-F279 HydrophobicContact CD2-CD2 4.25Å; L276-F279 PolarHBondContact O-N 3Å; L276-F279 VanDerWaalsContact O-N 3.13Å; F279-S281 PolarHBondContact O-N 3.17Å; F279-T282 WeakPolarHBondContact O-CB 3.37Å; F279-T282 WeakPolarHBondContact O-CG2 3.25Å; F279-T282 PolarHBondContact O-N 3.4Å; F279-T282 PolarHBondContact O-OG1 3.28Å; F279-A382 HydrophobicContact CE2-CB 4.33Å; F279-A382 HydrophobicContact CZ-CB 3.78Å; F279-V384 HydrophobicContact CD2-CG2 3.95Å; F279-V384 HydrophobicContact CE2-CG2 3.59Å; F279-V384 HydrophobicContact CZ-CG2 4.34Å
280D94.7Very high96.6Very high86 Ų8651.3 Ų51.346%0.4625%0.247SC..Hα-helixtrans-67.8-20.3-179.5-72.7-14000112.4L276 T282 R389L276-D280 WeakPolarHBondContact O-CB 3.42Å; L276-D280 PolarHBondContact O-N 2.98Å; D280-T282 PolarHBondContact O-N 2.99Å; D280-R389 IonicContact OD2-NH1 2.83Å; D280-R389 PolarHBondContact OD2-NH1 2.7Å
281S96.5Very high96.7Very high55 Ų5550.8 Ų50.839%0.38524%0.244SC..THydrogen-bonded Turntrans-72.8-13.3176.275.90000114.4S233 D277 L278 F279S233-S281 WeakPolarHBondContact CB-O 2.89Å; S233-S281 WeakPolarHBondContact CB-OG 3.48Å; S233-S281 PolarHBondContact OG-OG 2.88Å; D277-S281 WeakPolarHBondContact O-CB 3.1Å; D277-S281 PolarHBondContact O-N 2.71Å; L278-S281 PolarHBondContact O-N 3.28Å; L278-S281 PolarHBondContact O-OG 2.84Å; F279-S281 PolarHBondContact O-N 3.17Å
282T97.9Very high96.8Very high21 Ų2146.4 Ų46.413%0.12922%0.224CC..  trans-73.6138.3-175.861.60000112.1P231 I240 Y253 F279 D280P231-T282 WeakPolarHBondContact CB-OG1 3.47Å; I240-T282 HydrophobicContact CB-CG2 4.02Å; I240-T282 HydrophobicContact CG2-CG2 3.53Å; Y253-T282 HydrophobicContact CE1-CG2 4.22Å; F279-T282 WeakPolarHBondContact O-CB 3.37Å; F279-T282 WeakPolarHBondContact O-CG2 3.25Å; F279-T282 PolarHBondContact O-N 3.4Å; F279-T282 PolarHBondContact O-OG1 3.28Å; D280-T282 PolarHBondContact O-N 2.99Å
283I96.5Very high96.8Very high121 Ų12149.3 Ų49.362%0.62124%0.237SC*.EExtended strand (participates in β ladder)trans-126.7150.2174.460.4170.1000110.1P231 Y232 R285P231-I283 CarbonylContact C-O 3.45Å; P231-I283 WeakPolarHBondContact CA-O 3.49Å; Y232-I283 PolarHBondContact N-O 3.46Å; Y232-I283 PolarHBondContact O-N 3.05Å; I283-R285 PolarHBondContact O-N 3.09Å; I283-R285 VanDerWaalsContact O-N 3.11Å
284E97.1Very high96.7Very high153 Ų15345.1 Ų45.172%0.71522%0.218SC*.EExtended strand (participates in β ladder)trans-62.7116.4178.3-74.2-165.295.600111.3F230F230-E284 WeakPolarHBondContact O-CA 3.39Å
285R95.9Very high96.5Very high105 Ų10548.3 Ų48.340%0.39623%0.232SC..EExtended strand (participates in β ladder)trans-139149.8178.4-170.9174.7178.2-176.2-0.7109.7K229 F230 I283 V287K229-R285 CarbonylContact C-O 3.53Å; K229-R285 VanDerWaalsContact CA-O 3.26Å; K229-R285 WeakPolarHBondContact CA-O 3.29Å; F230-R285 PolarHBondContact N-O 3.38Å; F230-R285 PolarHBondContact O-N 2.88Å; I283-R285 PolarHBondContact O-N 3.09Å; I283-R285 VanDerWaalsContact O-N 3.11Å; R285-V287 WeakPolarHBondContact O-CG2 3.38Å; R285-V287 PolarHBondContact O-N 3.06Å
286K97.6Very high96.1Very high106 Ų10649 Ų4946%0.46124%0.236SC..EExtended strand (participates in β ladder)trans-67.3121.3169.3-160.5-171.5-156.9-159.90108.8E227 R228 P370 P371E227-K286 HydrophobicContact CG-CD 4.42Å; E227-K286 HydrophobicContact CG-CG 4.21Å; E227-K286 WeakPolarHBondContact OE1-CD 3.48Å; E227-K286 WeakPolarHBondContact OE1-CE 3.5Å; E227-K286 IonicContact OE1-NZ 3.16Å; E227-K286 PolarHBondContact OE1-NZ 3.21Å; R228-K286 CarbonylContact O-C 3.59Å; R228-K286 WeakPolarHBondContact O-CA 3.45Å; K286-P370 HydrophobicContact CB-CB 4.47Å; K286-P370 HydrophobicContact CG-CB 4.43Å; K286-P370 WeakPolarHBondContact O-CB 3.19Å; K286-P371 WeakPolarHBondContact O-CD 3.49Å
287V98.2Very high95.8Very high0 Ų053.2 Ų53.20%026%0.255CS..EExtended strand (participates in β ladder)trans-128.9139.5-178.6-171.40000109.2E227 R228 Y232 R285 V289 P371 F373E227-V287 WeakPolarHBondContact CA-O 3.42Å; R228-V287 PolarHBondContact N-O 3.17Å; R228-V287 PolarHBondContact O-N 3.39Å; Y232-V287 HydrophobicContact CD1-CG2 4.45Å; Y232-V287 HydrophobicContact CD2-CG1 4.08Å; Y232-V287 HydrophobicContact CD2-CG2 3.84Å; Y232-V287 HydrophobicContact CE2-CG1 4.34Å; Y232-V287 HydrophobicContact CG-CG2 3.71Å; R285-V287 WeakPolarHBondContact O-CG2 3.38Å; R285-V287 PolarHBondContact O-N 3.06Å; V287-V289 HydrophobicContact CB-CG2 3.99Å; V287-V289 HydrophobicContact CG1-CG2 3.84Å; V287-P371 HydrophobicContact CG1-CG 4.48Å; V287-P371 WeakPolarHBondContact CG1-O 3.35Å; V287-P371 HydrophobicContact CG2-CG 4.22Å; V287-F373 HydrophobicContact CG1-CB 3.9Å
288E98.2Very high95.5Very high41 Ų4152.3 Ų52.319%0.19225%0.247CC..EExtended strand (participates in β ladder)trans-85.5108164.5-175.6-169.4144.800107.7H290 P371 K372 F373E288-H290 IonicContact OE1-CD2 3.05Å; E288-H290 IonicContact OE1-CE1 3.36Å; E288-H290 IonicContact OE1-NE2 3.49Å; E288-H290 PolarHBondContact OE1-NE2 3Å; E288-P371 PolarHBondContact N-O 3.27Å; E288-K372 HydrophobicContact CB-CG 4.24Å; E288-K372 CarbonylContact O-C 3.53Å; E288-K372 WeakPolarHBondContact O-CA 3.28Å; E288-K372 IonicContact OE1-NZ 2.92Å; E288-K372 PolarHBondContact OE1-NZ 2.75Å; E288-K372 WeakPolarHBondContact OE2-CE 3.08Å; E288-K372 IonicContact OE2-NZ 2.73Å; E288-K372 PolarHBondContact OE2-NZ 2.96Å; E288-F373 PolarHBondContact O-N 3.33Å
289V98.5Very high95.2Very high0 Ų056.2 Ų56.20%027%0.268CS..EExtended strand (participates in β ladder)trans-104.5130.5-1711760000109.7F201 Q225 M226 F230 L241 I243 V287 I291F201-V289 HydrophobicContact CE1-CG1 4.3Å; F201-V289 HydrophobicContact CZ-CG1 4.33Å; Q225-V289 WeakPolarHBondContact CA-O 3.14Å; M226-V289 PolarHBondContact N-O 2.86Å; M226-V289 PolarHBondContact O-N 3.15Å; F230-V289 HydrophobicContact CD2-CG2 3.85Å; F230-V289 HydrophobicContact CE2-CG2 4.15Å; L241-V289 HydrophobicContact CD1-CG2 4.06Å; L241-V289 HydrophobicContact CD2-CB 4.31Å; L241-V289 HydrophobicContact CD2-CG1 3.61Å; L241-V289 HydrophobicContact CD2-CG2 3.74Å; I243-V289 HydrophobicContact CD1-CG1 4.26Å; V287-V289 HydrophobicContact CB-CG2 3.99Å; V287-V289 HydrophobicContact CG1-CG2 3.84Å; V289-I291 HydrophobicContact CG1-CD1 3.51Å; V289-I291 HydrophobicContact CG1-CG1 3.63Å
290H98.6Very high94.9Very high24 Ų2457.1 Ų57.111%0.11127%0.272CS..EExtended strand (participates in β ladder)trans-130.7113.6170.6-62.6-108.2000108.9M223 M224 Q225 E288 F373 I374 A375M223-H290 HydrophobicContact CG-CB 3.83Å; M223-H290 HydrophobicContact SD-CB 3.92Å; M224-H290 VanDerWaalsContact O-CA 3.3Å; M224-H290 WeakPolarHBondContact O-CA 3.14Å; Q225-H290 PolarHBondContact OE1-CE1 2.81Å; E288-H290 IonicContact OE1-CD2 3.05Å; E288-H290 IonicContact OE1-CE1 3.36Å; E288-H290 IonicContact OE1-NE2 3.49Å; E288-H290 PolarHBondContact OE1-NE2 3Å; H290-F373 PolarHBondContact N-O 3.17Å; H290-I374 HydrophobicContact CB-CB 4.45Å; H290-I374 HydrophobicContact CB-CG1 4.38Å; H290-I374 HydrophobicContact CB-CG2 4.18Å; H290-A375 PolarHBondContact O-N 3.06Å
291I97.9Very high94.4Very high1 Ų158.2 Ų58.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-133.2134-176.5-59.9174000109.6M223 M224 L241 I243 F254 V289M223-I291 PolarHBondContact SD-N 2.76Å; M223-I291 VanDerWaalsContact SD-N 3.35Å; M224-I291 WeakPolarHBondContact CB-O 3.34Å; M224-I291 HydrophobicContact CE-CG2 4.5Å; M224-I291 PolarHBondContact N-O 3.3Å; M224-I291 PolarHBondContact O-N 3.3Å; L241-I291 HydrophobicContact CD2-CD1 3.85Å; I243-I291 HydrophobicContact CD1-CD1 3.5Å; I243-I291 VanDerWaalsContact CD1-CD1 3.5Å; F254-I291 HydrophobicContact CD1-CD1 4.37Å; F254-I291 HydrophobicContact CD1-CG2 4.26Å; F254-I291 HydrophobicContact CD2-CD1 3.8Å; F254-I291 HydrophobicContact CE1-CD1 4.14Å; F254-I291 HydrophobicContact CE1-CG2 3.6Å; F254-I291 HydrophobicContact CE2-CD1 3.56Å; F254-I291 HydrophobicContact CG-CD1 4.21Å; F254-I291 HydrophobicContact CZ-CD1 3.74Å; F254-I291 HydrophobicContact CZ-CG2 3.86Å; V289-I291 HydrophobicContact CG1-CD1 3.51Å; V289-I291 HydrophobicContact CG1-CG1 3.63Å
292P97Very high94.3Very high0 Ų055.6 Ų55.60%026%0.257CS..EExtended strand (participates in β ladder)trans-59.4140.2174.4-24.834.7000112.1F211 V221 E222 M223 F294 A375 F379 Y397F211-P292 HydrophobicContact CD2-CG 4.11Å; F211-P292 HydrophobicContact CE2-CG 4.14Å; V221-P292 HydrophobicContact CB-CB 4.43Å; V221-P292 HydrophobicContact CG2-CB 4.17Å; V221-P292 HydrophobicContact CG2-CG 4.19Å; E222-P292 CarbonylContact O-C 3.54Å; E222-P292 WeakPolarHBondContact O-CA 3.31Å; M223-P292 HydrophobicContact CE-CG 4.15Å; M223-P292 HydrophobicContact SD-CG 4.11Å; P292-F294 HydrophobicContact CB-CD1 4.3Å; P292-F294 VanDerWaalsContact O-CD1 3.23Å; P292-F294 WeakPolarHBondContact O-CD1 3.49Å; P292-A375 WeakPolarHBondContact CD-O 3.47Å; P292-A375 WeakPolarHBondContact CG-O 3.18Å; P292-F379 HydrophobicContact CG-CE1 4.07Å; P292-F379 HydrophobicContact CG-CZ 4.48Å; P292-Y397 HydrophobicContact CB-CD1 4.49Å; P292-Y397 HydrophobicContact CB-CE1 3.66Å; P292-Y397 HydrophobicContact CG-CD1 4.27Å; P292-Y397 HydrophobicContact CG-CE1 3.7Å
293K94.7Very high94.2Very high62 Ų6257 Ų5727%0.2726%0.261SS..  trans-76.9130.9160.7172.5176.3179.5175.90108.6E222 M224 I344 N345 E346E222-K293 HydrophobicContact CB-CB 4.1Å; E222-K293 HydrophobicContact CB-CD 4.35Å; E222-K293 PolarHBondContact O-N 3.32Å; E222-K293 IonicContact OE1-NZ 2.66Å; E222-K293 IonicContact OE2-NZ 2.93Å; M224-K293 HydrophobicContact CG-CB 3.95Å; M224-K293 HydrophobicContact SD-CB 4.12Å; K293-I344 WeakPolarHBondContact CA-O 3.39Å; K293-I344 WeakPolarHBondContact CG-O 3.38Å; K293-N345 HydrophobicContact CD-CB 4.43Å; K293-N345 HydrophobicContact CG-CB 4.26Å; K293-E346 WeakPolarHBondContact CD-OE2 3.48Å; K293-E346 WeakPolarHBondContact CE-OE2 3.27Å; K293-E346 IonicContact NZ-OE1 3.51Å; K293-E346 PolarHBondContact NZ-OE1 2.98Å; K293-E346 IonicContact NZ-OE2 3.67Å; K293-E346 PolarHBondContact NZ-OE2 3.24Å
294F93.1Very high94.2Very high15 Ų1554.3 Ų54.37%0.06625%0.246CC..EExtended strand (participates in β ladder)trans-157.1158.2-179.761.8-95000113.2M252 P292 L296 I344 F379 F381 Y397M252-F294 HydrophobicContact CE-CZ 4.19Å; P292-F294 HydrophobicContact CB-CD1 4.3Å; P292-F294 VanDerWaalsContact O-CD1 3.23Å; P292-F294 WeakPolarHBondContact O-CD1 3.49Å; F294-L296 HydrophobicContact CD2-CD1 4.02Å; F294-L296 HydrophobicContact CD2-CG 3.92Å; F294-L296 HydrophobicContact CE2-CD1 3.98Å; F294-L296 HydrophobicContact CE2-CG 4.34Å; F294-I344 HydrophobicContact CD1-CB 4.27Å; F294-I344 HydrophobicContact CD2-CB 4.4Å; F294-I344 HydrophobicContact CD2-CG1 4.2Å; F294-I344 HydrophobicContact CE1-CB 4.09Å; F294-I344 HydrophobicContact CE1-CG1 4.05Å; F294-I344 HydrophobicContact CE1-CG2 4.25Å; F294-I344 HydrophobicContact CE2-CB 4.26Å; F294-I344 HydrophobicContact CE2-CG1 3.64Å; F294-I344 HydrophobicContact CG-CB 4.42Å; F294-I344 HydrophobicContact CZ-CB 4.11Å; F294-I344 HydrophobicContact CZ-CG1 3.56Å; F294-I344 PolarHBondContact N-O 3.12Å; F294-I344 PolarHBondContact O-N 3.28Å; F294-F379 HydrophobicContact CE1-CE2 4.41Å; F294-F379 HydrophobicContact CE1-CZ 4.03Å; F294-F381 HydrophobicContact CE2-CE1 4.23Å; F294-F381 HydrophobicContact CE2-CZ 4.27Å; F294-F381 HydrophobicContact CZ-CD1 4.21Å; F294-F381 HydrophobicContact CZ-CE1 4.25Å; F294-Y397 HydrophobicContact CB-CD2 4.11Å; F294-Y397 HydrophobicContact CB-CE2 3.34Å; F294-Y397 AromaticContact CD1-CD2 3.82Å; F294-Y397 HydrophobicContact CD1-CD2 3.82Å; F294-Y397 AromaticContact CD1-CE2 3.7Å; F294-Y397 HydrophobicContact CD1-CE2 3.7Å; F294-Y397 HydrophobicContact CD1-CG 4.36Å; F294-Y397 HydrophobicContact CD2-CD2 4.06Å; F294-Y397 HydrophobicContact CD2-CE2 4.16Å; F294-Y397 HydrophobicContact CE1-CD2 4.21Å; F294-Y397 HydrophobicContact CE1-CG 4.44Å; F294-Y397 HydrophobicContact CE2-CD2 4.39Å; F294-Y397 AromaticContact CG-CD2 3.74Å; F294-Y397 HydrophobicContact CG-CD2 3.74Å; F294-Y397 AromaticContact CG-CE2 3.48Å; F294-Y397 HydrophobicContact CG-CE2 3.48Å; F294-Y397 VanDerWaalsContact CG-CE2 3.48Å; F294-Y397 HydrophobicContact CZ-CD2 4.46Å
295K90.1Very high94.1Very high128 Ų12847.1 Ų47.156%0.55721%0.212SC*.EExtended strand (participates in β ladder)trans-128.2131.7172.9178.8-173.8172.6-179.60107.4F341 I342 E343K295-F341 HydrophobicContact CD-CE2 4.27Å; K295-F341 HydrophobicContact CD-CZ 4.14Å; K295-F341 HydrophobicContact CG-CE2 4.27Å; K295-F341 HydrophobicContact CG-CZ 4.09Å; K295-I342 WeakPolarHBondContact CA-O 3Å; K295-E343 HydrophobicContact CB-CG 4.36Å; K295-E343 HydrophobicContact CG-CB 4.49Å; K295-E343 HydrophobicContact CG-CG 4.47Å
296L89.9Confident94.2Very high14 Ų1442.1 Ų42.17%0.07319%0.193CC..EExtended strand (participates in β ladder)trans-128.6139.5175.7-60.4171.9000109.3F52 F294 Y298 I342 F381F52-L296 HydrophobicContact CD1-CB 3.6Å; F52-L296 HydrophobicContact CD1-CD1 4.06Å; F52-L296 HydrophobicContact CD1-CG 4.49Å; F52-L296 HydrophobicContact CE1-CB 3.37Å; F52-L296 WeakPolarHBondContact CE1-O 3.37Å; F52-L296 HydrophobicContact CZ-CB 4.36Å; F52-L296 WeakPolarHBondContact CZ-O 3.33Å; F294-L296 HydrophobicContact CD2-CD1 4.02Å; F294-L296 HydrophobicContact CD2-CG 3.92Å; F294-L296 HydrophobicContact CE2-CD1 3.98Å; F294-L296 HydrophobicContact CE2-CG 4.34Å; L296-Y298 HydrophobicContact CB-CD2 4.44Å; L296-Y298 HydrophobicContact CB-CE2 4.38Å; L296-Y298 HydrophobicContact CD2-CE2 4.42Å; L296-I342 HydrophobicContact CB-CG2 3.91Å; L296-I342 PolarHBondContact N-O 3.26Å; L296-I342 PolarHBondContact O-N 2.87Å; L296-F381 HydrophobicContact CD1-CE1 4.02Å; L296-F381 HydrophobicContact CD1-CZ 3.79Å
297E89.8Confident94.2Very high92 Ų9240.7 Ų40.743%0.4319%0.188SC..EExtended strand (participates in β ladder)trans-133.4132.1172.3-176.9170.9175.500107K339 A340 F341E297-K339 WeakPolarHBondContact OE1-CE 3.37Å; E297-K339 IonicContact OE1-NZ 3.27Å; E297-K339 PolarHBondContact OE1-NZ 2.79Å; E297-A340 WeakPolarHBondContact CA-O 3.29Å; E297-F341 HydrophobicContact CB-CD2 4.33Å; E297-F341 HydrophobicContact CG-CD2 4.44Å
298Y89.7Confident94.2Very high57 Ų5747 Ų4722%0.22421%0.212CC..EExtended strand (participates in β ladder)trans-136.8127.2-178.5-89.5-85.8000111.5F51 F52 L296 K339 A340F51-Y298 HydrophobicContact CB-CE1 4.2Å; F51-Y298 HydrophobicContact CB-CE2 4.47Å; F51-Y298 AromaticContact CD2-CD1 3.63Å; F51-Y298 HydrophobicContact CD2-CD1 3.63Å; F51-Y298 AromaticContact CD2-CE1 3.7Å; F51-Y298 HydrophobicContact CD2-CE1 3.7Å; F51-Y298 HydrophobicContact CD2-CG 4.2Å; F51-Y298 HydrophobicContact CE2-CD1 4.19Å; F51-Y298 HydrophobicContact CG-CE1 4.45Å; F51-Y298 PolarHBondContact N-OH 3.38Å; F52-Y298 AromaticContact CD1-CD2 3.43Å; F52-Y298 HydrophobicContact CD1-CD2 3.43Å; F52-Y298 VanDerWaalsContact CD1-CD2 3.43Å; F52-Y298 HydrophobicContact CD1-CE2 4.12Å; F52-Y298 HydrophobicContact CD1-CG 4.3Å; F52-Y298 AromaticContact CE1-CD2 3.57Å; F52-Y298 HydrophobicContact CE1-CD2 3.57Å; F52-Y298 HydrophobicContact CE1-CE2 4.48Å; F52-Y298 HydrophobicContact CE1-CG 4.37Å; L296-Y298 HydrophobicContact CB-CD2 4.44Å; L296-Y298 HydrophobicContact CB-CE2 4.38Å; L296-Y298 HydrophobicContact CD2-CE2 4.42Å; Y298-K339 WeakPolarHBondContact O-CA 3.32Å; Y298-A340 PolarHBondContact N-O 3.48Å; Y298-A340 PolarHBondContact O-N 3.06Å; Y298-A340 VanDerWaalsContact O-N 3.09Å
299D90.7Very high94.1Very high96 Ų9645.6 Ų45.651%0.51321%0.206SC..EExtended strand (participates in β ladder)trans-104.8110.4173.3-61.7-9000107.1K339D299-K339 WeakPolarHBondContact OD1-CD 3.32Å; D299-K339 WeakPolarHBondContact OD1-CE 3.11Å; D299-K339 WeakPolarHBondContact OD1-CG 3.21Å; D299-K339 IonicContact OD1-NZ 3.57Å; D299-K339 PolarHBondContact OD1-NZ 3.36Å; D299-K339 VanDerWaalsContact OD1-NZ 3.16Å; D299-K339 IonicContact OD2-NZ 3.35Å; D299-K339 PolarHBondContact OD2-NZ 3.26Å
300L89.8Confident94Very high22 Ų2246.6 Ų46.612%0.11522%0.217CC..EExtended strand (participates in β ladder)trans-109.8118.1-175.8-176.266.9000109.9A44 F51 I53 L302 V305 H338A44-L300 HydrophobicContact CB-CD1 4.13Å; A44-L300 HydrophobicContact CB-CD2 4.13Å; F51-L300 HydrophobicContact CE2-CD1 4.33Å; I53-L300 HydrophobicContact CG2-CD2 3.84Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 HydrophobicContact CD2-CD1 4.07Å; L300-L302 PolarHBondContact O-N 3.29Å; L300-V305 HydrophobicContact CD1-CG2 3.85Å; L300-V305 HydrophobicContact CD2-CG2 4.23Å; L300-V305 HydrophobicContact CG-CG2 4.22Å; L300-H338 HydrophobicContact CB-CB 4.2Å; L300-H338 PolarHBondContact N-O 3.49Å; L300-H338 PolarHBondContact O-N 3.35Å; L300-H338 VanDerWaalsContact O-N 3.13Å
301Q84.8Confident94Very high110 Ų11045.5 Ų45.551%0.51421%0.212SC..EExtended strand (participates in β ladder)trans-67.190.3161.8-66.1-170.6-2300108.5K303 Q304Q301-K303 VanDerWaalsContact C-N 3.29Å; Q301-K303 PolarHBondContact O-N 2.94Å; Q301-Q304 PolarHBondContact O-OE1 3.46Å; Q301-Q304 VanDerWaalsContact O-OE1 3.1Å; Q301-Q304 VanDerWaalsContact OE1-NE2 3.09Å
302L94.7Very high94Very high0 Ų048.6 Ų48.60%023%0.23CC..Hα-helixtrans-71.5-28.7-167.6-179.963.4000110.9I58 L300 Q304 V305 L306 A336 H338I58-L302 HydrophobicContact CD1-CD1 4.06Å; I58-L302 HydrophobicContact CG1-CD1 4.42Å; I58-L302 HydrophobicContact CG1-CD2 4.31Å; I58-L302 HydrophobicContact CG2-CD1 4.06Å; I58-L302 HydrophobicContact CG2-CD2 3.96Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 HydrophobicContact CD2-CD1 4.07Å; L300-L302 PolarHBondContact O-N 3.29Å; L302-Q304 PolarHBondContact O-N 2.95Å; L302-V305 HydrophobicContact CD1-CB 4.46Å; L302-V305 WeakPolarHBondContact O-CB 3.25Å; L302-V305 PolarHBondContact O-N 3.01Å; L302-L306 HydrophobicContact CD1-CD1 4.32Å; L302-L306 HydrophobicContact CD1-CD2 4.14Å; L302-L306 HydrophobicContact CD1-CG 4Å; L302-L306 HydrophobicContact CD2-CD1 4.03Å; L302-L306 HydrophobicContact CG-CD1 3.64Å; L302-L306 HydrophobicContact CG-CD2 4.34Å; L302-L306 HydrophobicContact CG-CG 3.83Å; L302-L306 VanDerWaalsContact O-CG 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 2.73Å; L302-A336 HydrophobicContact CB-CB 4.07Å; L302-A336 VanDerWaalsContact CB-O 3.29Å; L302-A336 WeakPolarHBondContact CB-O 3.4Å; L302-A336 HydrophobicContact CD2-CB 4.15Å; L302-A336 HydrophobicContact CG-CB 4.25Å; L302-A336 PolarHBondContact N-O 3.06Å; L302-H338 HydrophobicContact CB-CB 4.33Å; L302-H338 HydrophobicContact CD2-CB 4.28Å
303K96.1Very high94Very high51 Ų5149.2 Ų49.222%0.22223%0.234CC..Hα-helixtrans-50.8-52.2177.9173.3172.8179.7-179.70113.8Q301 V305 L306 Q307 F315 S334 D335 A336Q301-K303 VanDerWaalsContact C-N 3.29Å; Q301-K303 PolarHBondContact O-N 2.94Å; K303-V305 VanDerWaalsContact C-N 3.32Å; K303-V305 PolarHBondContact O-N 3.07Å; K303-L306 PolarHBondContact O-N 3.44Å; K303-Q307 WeakPolarHBondContact O-CG 3.43Å; K303-Q307 PolarHBondContact O-N 2.76Å; K303-F315 HydrophobicContact CB-CD1 4.43Å; K303-F315 HydrophobicContact CB-CE1 3.9Å; K303-F315 HydrophobicContact CB-CZ 4.23Å; K303-F315 HydrophobicContact CD-CD1 3.91Å; K303-F315 HydrophobicContact CD-CE1 4.18Å; K303-F315 HydrophobicContact CG-CD1 3.7Å; K303-F315 HydrophobicContact CG-CE1 3.65Å; K303-F315 HydrophobicContact CG-CG 4.19Å; K303-F315 HydrophobicContact CG-CZ 4.11Å; K303-S334 WeakPolarHBondContact CD-O 3.27Å; K303-S334 WeakPolarHBondContact CE-O 3.41Å; K303-S334 PolarHBondContact NZ-O 2.97Å; K303-D335 WeakPolarHBondContact CB-OD1 3.22Å; K303-A336 PolarHBondContact N-O 3.01Å
304Q95.2Very high94.2Very high64 Ų6446.3 Ų46.330%0.29922%0.221SC..Hα-helixtrans-69.5-33-176.7-52.191.510.100111.9Q301 L302 Q307 R308Q301-Q304 PolarHBondContact O-OE1 3.46Å; Q301-Q304 VanDerWaalsContact O-OE1 3.1Å; Q301-Q304 VanDerWaalsContact OE1-NE2 3.09Å; L302-Q304 PolarHBondContact O-N 2.95Å; Q304-Q307 PolarHBondContact O-N 3.16Å; Q304-R308 WeakPolarHBondContact O-CG 3.37Å; Q304-R308 PolarHBondContact O-N 2.84Å; Q304-R308 PolarHBondContact O-NH1 2.75Å
305V96.3Very high94.4Very high1 Ų146.3 Ų46.31%0.00622%0.221CC..Hα-helixtrans-61.1-46.7172.7178.80000110.4T40 E43 A44 L300 L302 K303 Q307 R308 L309T40-V305 HydrophobicContact CG2-CG1 4.16Å; E43-V305 HydrophobicContact CB-CG1 3.83Å; A44-V305 HydrophobicContact CB-CG1 3.93Å; A44-V305 HydrophobicContact CB-CG2 3.78Å; L300-V305 HydrophobicContact CD1-CG2 3.85Å; L300-V305 HydrophobicContact CD2-CG2 4.23Å; L300-V305 HydrophobicContact CG-CG2 4.22Å; L302-V305 HydrophobicContact CD1-CB 4.46Å; L302-V305 WeakPolarHBondContact O-CB 3.25Å; L302-V305 PolarHBondContact O-N 3.01Å; K303-V305 VanDerWaalsContact C-N 3.32Å; K303-V305 PolarHBondContact O-N 3.07Å; V305-Q307 PolarHBondContact O-N 3.24Å; V305-R308 PolarHBondContact O-N 3.3Å; V305-L309 HydrophobicContact CG1-CD1 4.48Å; V305-L309 WeakPolarHBondContact O-CG 3.3Å; V305-L309 PolarHBondContact O-N 3.28Å
306L97.7Very high94.8Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-65.7-38.4180-64.7173.6000112L62 L302 K303 L309 G310 L311 F315 A336L62-L306 HydrophobicContact CD1-CD1 4.44Å; L62-L306 HydrophobicContact CD1-CD2 3.49Å; L62-L306 VanDerWaalsContact CD1-CD2 3.49Å; L62-L306 HydrophobicContact CD2-CD1 3.72Å; L62-L306 HydrophobicContact CD2-CD2 4.19Å; L62-L306 HydrophobicContact CG-CD2 4.45Å; L302-L306 HydrophobicContact CD1-CD1 4.32Å; L302-L306 HydrophobicContact CD1-CD2 4.14Å; L302-L306 HydrophobicContact CD1-CG 4Å; L302-L306 HydrophobicContact CD2-CD1 4.03Å; L302-L306 HydrophobicContact CG-CD1 3.64Å; L302-L306 HydrophobicContact CG-CD2 4.34Å; L302-L306 HydrophobicContact CG-CG 3.83Å; L302-L306 VanDerWaalsContact O-CG 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 2.73Å; K303-L306 PolarHBondContact O-N 3.44Å; L306-L309 HydrophobicContact CD2-CD1 4.21Å; L306-L309 WeakPolarHBondContact O-CB 3.42Å; L306-L309 PolarHBondContact O-N 2.88Å; L306-G310 PolarHBondContact O-N 2.87Å; L306-L311 HydrophobicContact CB-CB 4.24Å; L306-L311 HydrophobicContact CB-CD1 4.07Å; L306-L311 HydrophobicContact CD2-CD1 3.7Å; L306-L311 HydrophobicContact CG-CD1 4.35Å; L306-L311 WeakPolarHBondContact O-CB 3.43Å; L306-L311 PolarHBondContact O-N 3.05Å; L306-F315 HydrophobicContact CB-CE2 3.81Å; L306-F315 HydrophobicContact CB-CZ 3.91Å; L306-F315 HydrophobicContact CD1-CE2 4.44Å; L306-F315 HydrophobicContact CD1-CZ 3.77Å; L306-F315 HydrophobicContact CG-CZ 4.5Å; L306-A336 HydrophobicContact CD1-CB 4.18Å
307Q97.9Very high95Very high77 Ų7745.4 Ų45.436%0.3623%0.23SC..Hα-helixtrans-60.8-44173.1-73.4176.8-38.700111.6K303 Q304 V305 L309 G310 F315K303-Q307 WeakPolarHBondContact O-CG 3.43Å; K303-Q307 PolarHBondContact O-N 2.76Å; Q304-Q307 PolarHBondContact O-N 3.16Å; V305-Q307 PolarHBondContact O-N 3.24Å; Q307-L309 VanDerWaalsContact C-N 3.31Å; Q307-L309 PolarHBondContact O-N 2.83Å; Q307-G310 WeakPolarHBondContact O-CA 3.41Å; Q307-G310 PolarHBondContact O-N 3.39Å; Q307-F315 HydrophobicContact CG-CD2 3.77Å; Q307-F315 HydrophobicContact CG-CE2 4.11Å
308R96.9Very high95.3Very high131 Ų13144.9 Ų44.949%0.49424%0.241SC..Hα-helixtrans-64-34.3174.9-69.4-170.6-69.3-83.56.8113.1E43 Q304 V305 G310E43-R308 HydrophobicContact CB-CB 4.33Å; E43-R308 HydrophobicContact CG-CB 4.14Å; E43-R308 VanDerWaalsContact O-CZ 3.3Å; E43-R308 PolarHBondContact O-NE 3.06Å; E43-R308 VanDerWaalsContact O-NE 3.09Å; E43-R308 PolarHBondContact O-NH2 2.82Å; E43-R308 WeakPolarHBondContact OE2-CB 3.39Å; E43-R308 WeakPolarHBondContact OE2-CD 3.11Å; E43-R308 IonicContact OE2-NE 2.64Å; Q304-R308 WeakPolarHBondContact O-CG 3.37Å; Q304-R308 PolarHBondContact O-N 2.84Å; Q304-R308 PolarHBondContact O-NH1 2.75Å; V305-R308 PolarHBondContact O-N 3.3Å; R308-G310 PolarHBondContact O-N 3.34Å
309L96.1Very high95.7Very high12 Ų1246.6 Ų46.66%0.06325%0.254CS..Hα-helixtrans-65-14.4170.5-72.8173000113.4R39 T40 E43 K80 V305 L306 Q307R39-L309 HydrophobicContact CB-CD2 3.83Å; T40-L309 HydrophobicContact CG2-CD1 4.4Å; E43-L309 HydrophobicContact CB-CD2 4.38Å; E43-L309 HydrophobicContact CB-CG 4.3Å; E43-L309 HydrophobicContact CG-CD2 3.59Å; E43-L309 HydrophobicContact CG-CG 3.84Å; K80-L309 WeakPolarHBondContact CD-O 3.49Å; K80-L309 WeakPolarHBondContact CE-O 3.32Å; K80-L309 PolarHBondContact NZ-O 3.11Å; K80-L309 VanDerWaalsContact NZ-O 3.1Å; V305-L309 HydrophobicContact CG1-CD1 4.48Å; V305-L309 WeakPolarHBondContact O-CG 3.3Å; V305-L309 PolarHBondContact O-N 3.28Å; L306-L309 HydrophobicContact CD2-CD1 4.21Å; L306-L309 WeakPolarHBondContact O-CB 3.42Å; L306-L309 PolarHBondContact O-N 2.88Å; Q307-L309 VanDerWaalsContact C-N 3.31Å; Q307-L309 PolarHBondContact O-N 2.83Å
310G96.9Very high96.1Very high22 Ų2242.1 Ų42.123%0.22723%0.23CC..THydrogen-bonded Turntrans94.423-179.300000113.9L306 Q307 R308L306-G310 PolarHBondContact O-N 2.87Å; Q307-G310 WeakPolarHBondContact O-CA 3.41Å; Q307-G310 PolarHBondContact O-N 3.39Å; R308-G310 PolarHBondContact O-N 3.34Å
311L97.9Very high96.5Very high1 Ų142.1 Ų42.11%0.00523%0.23CC..  trans-93.783.4168.6-62.2171.3000108.4M77 K80 L81 L306 M314 F315M77-L311 HydrophobicContact CB-CD2 4.37Å; M77-L311 HydrophobicContact CG-CD2 4.01Å; K80-L311 HydrophobicContact CB-CD2 3.85Å; K80-L311 HydrophobicContact CB-CG 4.24Å; K80-L311 HydrophobicContact CG-CD2 4.01Å; K80-L311 HydrophobicContact CG-CG 4.39Å; L81-L311 HydrophobicContact CD2-CD1 4.19Å; L306-L311 HydrophobicContact CB-CB 4.24Å; L306-L311 HydrophobicContact CB-CD1 4.07Å; L306-L311 HydrophobicContact CD2-CD1 3.7Å; L306-L311 HydrophobicContact CG-CD1 4.35Å; L306-L311 WeakPolarHBondContact O-CB 3.43Å; L306-L311 PolarHBondContact O-N 3.05Å; L311-M314 HydrophobicContact CB-CG 4.38Å; L311-M314 HydrophobicContact CB-SD 3.83Å; L311-M314 HydrophobicContact CD1-SD 4.32Å; L311-M314 HydrophobicContact CG-SD 4.49Å; L311-F315 WeakPolarHBondContact O-CD2 3.29Å; L311-F315 WeakPolarHBondContact O-CE2 3.39Å
312T98Very high97.1Very high65 Ų6536.9 Ų36.940%0.39921%0.206SC..  trans-103.9-42.2-173.352.40000112.3Q76 M314 F315Q76-T312 PolarHBondContact OE1-OG1 3.45Å; T312-M314 PolarHBondContact O-N 3.38Å; T312-F315 PolarHBondContact O-N 2.86Å
313D98.4Very high97.2Very high13 Ų1338.3 Ų38.37%0.0722%0.216CC..G310 helixtrans-62.5-34.1-172.5-75.320.6000112.3N72 Q76 F315 S316 L319 A320N72-D313 WeakPolarHBondContact CB-OD2 2.95Å; N72-D313 PolarHBondContact ND2-OD2 3Å; Q76-D313 PolarHBondContact NE2-OD1 2.83Å; Q76-D313 PolarHBondContact NE2-OD2 2.61Å; Q76-D313 VanDerWaalsContact OE1-N 3.1Å; D313-F315 PolarHBondContact O-N 3.2Å; D313-S316 PolarHBondContact O-N 3.39Å; D313-L319 HydrophobicContact CB-CB 4.25Å; D313-A320 WeakPolarHBondContact O-CA 3.39Å; D313-A320 WeakPolarHBondContact O-CB 3.42Å; D313-A320 PolarHBondContact O-N 3.07Å
314M98.1Very high97.3Very high2 Ų238.9 Ų38.91%0.0122%0.219CC..G310 helixtrans-61.8-24179.762.8-176.2-68.400113.4L62 T65 T73 M77 L311 T312 F322 V333L62-M314 HydrophobicContact CD2-CE 4.19Å; T65-M314 HydrophobicContact CG2-CE 4.14Å; T73-M314 HydrophobicContact CG2-CB 3.94Å; M77-M314 HydrophobicContact CE-CE 4.48Å; M77-M314 HydrophobicContact CE-SD 4.45Å; L311-M314 HydrophobicContact CB-CG 4.38Å; L311-M314 HydrophobicContact CB-SD 3.83Å; L311-M314 HydrophobicContact CD1-SD 4.32Å; L311-M314 HydrophobicContact CG-SD 4.49Å; T312-M314 PolarHBondContact O-N 3.38Å; M314-F322 HydrophobicContact CB-CE2 3.9Å; M314-F322 HydrophobicContact CB-CZ 3.63Å; M314-V333 HydrophobicContact CE-CB 4.08Å; M314-V333 HydrophobicContact CE-CG1 4.28Å; M314-V333 HydrophobicContact CE-CG2 3.66Å; M314-V333 PolarHBondContact O-N 2.97Å
315F97.7Very high97.3Very high14 Ų1435.9 Ų35.96%0.06120%0.204CC..G310 helixtrans-98.90.5-179-59-74.9000113.7K303 L306 Q307 L311 T312 D313 V333 A336K303-F315 HydrophobicContact CB-CD1 4.43Å; K303-F315 HydrophobicContact CB-CE1 3.9Å; K303-F315 HydrophobicContact CB-CZ 4.23Å; K303-F315 HydrophobicContact CD-CD1 3.91Å; K303-F315 HydrophobicContact CD-CE1 4.18Å; K303-F315 HydrophobicContact CG-CD1 3.7Å; K303-F315 HydrophobicContact CG-CE1 3.65Å; K303-F315 HydrophobicContact CG-CG 4.19Å; K303-F315 HydrophobicContact CG-CZ 4.11Å; L306-F315 HydrophobicContact CB-CE2 3.81Å; L306-F315 HydrophobicContact CB-CZ 3.91Å; L306-F315 HydrophobicContact CD1-CE2 4.44Å; L306-F315 HydrophobicContact CD1-CZ 3.77Å; L306-F315 HydrophobicContact CG-CZ 4.5Å; Q307-F315 HydrophobicContact CG-CD2 3.77Å; Q307-F315 HydrophobicContact CG-CE2 4.11Å; L311-F315 WeakPolarHBondContact O-CD2 3.29Å; L311-F315 WeakPolarHBondContact O-CE2 3.39Å; T312-F315 PolarHBondContact O-N 2.86Å; D313-F315 PolarHBondContact O-N 3.2Å; F315-V333 WeakPolarHBondContact CA-O 3.48Å; F315-V333 HydrophobicContact CD1-CB 4.02Å; F315-V333 HydrophobicContact CD1-CG1 3.88Å; F315-V333 VanDerWaalsContact CD1-O 3.29Å; F315-V333 WeakPolarHBondContact CD1-O 3.25Å; F315-V333 HydrophobicContact CE1-CB 4.07Å; F315-V333 HydrophobicContact CE1-CG1 3.54Å; F315-A336 HydrophobicContact CE1-CB 4.48Å
316S97.3Very high97.2Very high32 Ų3236.3 Ų36.322%0.22421%0.207CC..  trans-102.9120-178.3169.90000110.3D313 A318 L319 A320D313-S316 PolarHBondContact O-N 3.39Å; S316-A318 PolarHBondContact O-N 2.95Å; S316-A318 VanDerWaalsContact O-N 3.15Å; S316-A318 PolarHBondContact OG-N 3.37Å; S316-L319 PolarHBondContact O-N 3.2Å; S316-L319 VanDerWaalsContact O-N 3.17Å; S316-L319 PolarHBondContact OG-N 3.11Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 2.9Å
317P95.5Very high97.1Very high91 Ų9138.4 Ų38.459%0.59123%0.229SC*.THydrogen-bonded Turntrans-54.5-33.2175.4-25.933.1000113.5Y332P317-Y332 HydrophobicContact CB-CD1 4.02Å; P317-Y332 HydrophobicContact CB-CE1 4.16Å; P317-Y332 HydrophobicContact CB-CG 4.29Å; P317-Y332 HydrophobicContact CG-CD1 4.07Å; P317-Y332 HydrophobicContact CG-CD2 3.92Å; P317-Y332 HydrophobicContact CG-CE1 3.96Å; P317-Y332 HydrophobicContact CG-CE2 3.77Å; P317-Y332 HydrophobicContact CG-CG 4.08Å
318A96.8Very high96.8Very high81 Ų8139.3 Ų39.367%0.66924%0.236SC*.THydrogen-bonded Turntrans-81.3-28.7-178.200000113.8S316S316-A318 PolarHBondContact O-N 2.95Å; S316-A318 VanDerWaalsContact O-N 3.15Å; S316-A318 PolarHBondContact OG-N 3.37Å
319L97.9Very high96.6Very high93 Ų9340.6 Ų40.649%0.48724%0.241SC..THydrogen-bonded Turntrans-105.5-29.6-171.9-59.1175.5000113D313 S316 N321D313-L319 HydrophobicContact CB-CB 4.25Å; S316-L319 PolarHBondContact O-N 3.2Å; S316-L319 VanDerWaalsContact O-N 3.17Å; S316-L319 PolarHBondContact OG-N 3.11Å; L319-N321 PolarHBondContact O-N 3.36Å
320A98.1Very high96.2Very high3 Ų342.9 Ų42.93%0.02525%0.253CS..  trans-54.8139.3-175.400000111.3D313 S316 F322 L331 Y332D313-A320 WeakPolarHBondContact O-CA 3.39Å; D313-A320 WeakPolarHBondContact O-CB 3.42Å; D313-A320 PolarHBondContact O-N 3.07Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 2.9Å; A320-F322 HydrophobicContact CB-CD2 4.21Å; A320-F322 HydrophobicContact CB-CE2 4.27Å; A320-L331 WeakPolarHBondContact CB-O 3.46Å; A320-Y332 VanDerWaalsContact CB-CB 3.46Å
321N98.3Very high96.1Very high21 Ų2142.1 Ų42.111%0.11224%0.244CC..  trans-135.589.1176.3-170.2-18000109.5S69 S70 T73 L319 S323S69-N321 CarbonylContact C-O 3.6Å; S69-N321 WeakPolarHBondContact CA-O 3.18Å; S70-N321 WeakPolarHBondContact CB-OD1 3.45Å; S70-N321 PolarHBondContact N-O 3.31Å; T73-N321 PolarHBondContact OG1-N 2.82Å; L319-N321 PolarHBondContact O-N 3.36Å; N321-S323 WeakPolarHBondContact OD1-CB 3.46Å; N321-S323 PolarHBondContact OD1-N 2.85Å; N321-S323 PolarHBondContact OD1-OG 3.18Å; N321-S323 VanDerWaalsContact OD1-OG 3.05Å
322F97.3Very high96Very high0 Ų044.3 Ų44.30%025%0.253CS..  trans-106.531.3173.6-70.3-65.5000112.5T65 G68 T73 M77 M314 A320 K324 I325 L331 V333T65-F322 HydrophobicContact CG2-CD1 4.36Å; T65-F322 HydrophobicContact CG2-CE1 3.43Å; T65-F322 VanDerWaalsContact CG2-CE1 3.43Å; T65-F322 HydrophobicContact CG2-CZ 3.65Å; G68-F322 CarbonylContact O-C 3.47Å; G68-F322 VanDerWaalsContact O-C 3.25Å; G68-F322 VanDerWaalsContact O-CA 3.28Å; G68-F322 WeakPolarHBondContact O-CA 3.39Å; T73-F322 HydrophobicContact CG2-CE1 4.24Å; T73-F322 HydrophobicContact CG2-CE2 4.32Å; T73-F322 HydrophobicContact CG2-CZ 3.91Å; M77-F322 HydrophobicContact SD-CE1 4.19Å; M77-F322 HydrophobicContact SD-CZ 4.44Å; M314-F322 HydrophobicContact CB-CE2 3.9Å; M314-F322 HydrophobicContact CB-CZ 3.63Å; A320-F322 HydrophobicContact CB-CD2 4.21Å; A320-F322 HydrophobicContact CB-CE2 4.27Å; F322-K324 PolarHBondContact O-N 3.29Å; F322-I325 HydrophobicContact CB-CD1 3.89Å; F322-I325 HydrophobicContact CB-CG1 4.18Å; F322-I325 HydrophobicContact CD1-CD1 4.15Å; F322-I325 HydrophobicContact CG-CD1 4.23Å; F322-I325 WeakPolarHBondContact O-CB 3.37Å; F322-I325 WeakPolarHBondContact O-CG1 3.46Å; F322-I325 PolarHBondContact O-N 3.48Å; F322-L331 HydrophobicContact CB-CB 3.95Å; F322-L331 WeakPolarHBondContact CD2-O 3.41Å; F322-V333 HydrophobicContact CE2-CG2 3.84Å; F322-V333 HydrophobicContact CZ-CG2 3.93Å
323S97.1Very high96Very high30 Ų3041.2 Ų41.221%0.2123%0.234CC..Hα-helixtrans-63.7-10.9-176.668.60000115.3N321 I325 G327 N328N321-S323 WeakPolarHBondContact OD1-CB 3.46Å; N321-S323 PolarHBondContact OD1-N 2.85Å; N321-S323 PolarHBondContact OD1-OG 3.18Å; N321-S323 VanDerWaalsContact OD1-OG 3.05Å; S323-I325 PolarHBondContact O-N 3.47Å; S323-G327 CarbonylContact O-C 3.58Å; S323-G327 WeakPolarHBondContact O-CA 3.41Å; S323-G327 PolarHBondContact O-N 3.3Å; S323-N328 WeakPolarHBondContact CA-O 3.39Å; S323-N328 VanDerWaalsContact CB-O 3.23Å; S323-N328 WeakPolarHBondContact CB-O 3.41Å
324K97.1Very high95.9Very high64 Ų6441.3 Ų41.328%0.27824%0.235SC..Hα-helixtrans-81.7-3.3170.3-53.1-177.9-179.71720112.9G68 S69 F131 F322G68-K324 VanDerWaalsContact O-CB 3.29Å; G68-K324 WeakPolarHBondContact O-CB 3.48Å; G68-K324 PolarHBondContact O-N 2.93Å; G68-K324 VanDerWaalsContact O-N 3.15Å; S69-K324 WeakPolarHBondContact O-CD 3.5Å; S69-K324 WeakPolarHBondContact O-CE 3.46Å; F131-K324 WeakPolarHBondContact CB-O 3.16Å; F322-K324 PolarHBondContact O-N 3.29Å
325I96.6Very high95.8Very high0 Ų042.6 Ų42.60%024%0.242CC..Hα-helixtrans-88-51.6171.6-55.3-175000110.1L128 F131 I143 L185 F322 S323 L331L128-I325 WeakPolarHBondContact CB-O 3.48Å; L128-I325 WeakPolarHBondContact CG-O 3.34Å; L128-I325 PolarHBondContact N-O 3.45Å; F131-I325 HydrophobicContact CD1-CB 4.44Å; F131-I325 HydrophobicContact CD1-CG1 4.37Å; F131-I325 HydrophobicContact CD1-CG2 3.98Å; F131-I325 HydrophobicContact CD2-CG1 4.11Å; F131-I325 HydrophobicContact CE1-CD1 4.43Å; F131-I325 HydrophobicContact CE1-CG1 4.15Å; F131-I325 HydrophobicContact CE1-CG2 3.99Å; F131-I325 HydrophobicContact CE2-CD1 4.42Å; F131-I325 HydrophobicContact CE2-CG1 3.91Å; F131-I325 HydrophobicContact CG-CG1 4.35Å; F131-I325 HydrophobicContact CZ-CD1 4.08Å; F131-I325 HydrophobicContact CZ-CG1 3.92Å; I143-I325 HydrophobicContact CD1-CG2 3.96Å; L185-I325 HydrophobicContact CD2-CD1 3.94Å; F322-I325 HydrophobicContact CB-CD1 3.89Å; F322-I325 HydrophobicContact CB-CG1 4.18Å; F322-I325 HydrophobicContact CD1-CD1 4.15Å; F322-I325 HydrophobicContact CG-CD1 4.23Å; F322-I325 WeakPolarHBondContact O-CB 3.37Å; F322-I325 WeakPolarHBondContact O-CG1 3.46Å; F322-I325 PolarHBondContact O-N 3.48Å; S323-I325 PolarHBondContact O-N 3.47Å; I325-L331 HydrophobicContact CB-CD1 3.9Å; I325-L331 HydrophobicContact CD1-CD1 4.23Å; I325-L331 HydrophobicContact CG2-CD1 3.7Å
326T94.2Very high95.7Very high11 Ų1142 Ų427%0.06724%0.239CC..Hα-helixtrans-113.1-17.1-171.453.20000114.7Q125 Q126 N328 D330 L331Q125-T326 HydrophobicContact CB-CG2 4.18Å; Q126-T326 VanDerWaalsContact O-CA 3.32Å; Q126-T326 WeakPolarHBondContact O-CA 3.25Å; T326-N328 VanDerWaalsContact C-N 3.35Å; T326-N328 PolarHBondContact OG1-N 3.09Å; T326-N328 PolarHBondContact OG1-O 3.06Å; T326-D330 PolarHBondContact OG1-OD1 3.22Å; T326-L331 HydrophobicContact CG2-CD1 3.45Å; T326-L331 VanDerWaalsContact CG2-CD1 3.45Å; T326-L331 HydrophobicContact CG2-CG 3.95Å
327G94.3Very high95.6Very high44 Ų4440.9 Ų40.945%0.45423%0.231SC..SBendtrans95.2-16-168.300000113.4S323S323-G327 CarbonylContact O-C 3.58Å; S323-G327 WeakPolarHBondContact O-CA 3.41Å; S323-G327 PolarHBondContact O-N 3.3Å
328N92.9Very high95.6Very high96 Ų9636.8 Ų36.851%0.51320%0.203SC..SBendtrans-119.7167.5-173.3-62.4-38000112.3S323 T326 D330S323-N328 WeakPolarHBondContact CA-O 3.39Å; S323-N328 VanDerWaalsContact CB-O 3.23Å; S323-N328 WeakPolarHBondContact CB-O 3.41Å; T326-N328 VanDerWaalsContact C-N 3.35Å; T326-N328 PolarHBondContact OG1-N 3.09Å; T326-N328 PolarHBondContact OG1-O 3.06Å; N328-D330 VanDerWaalsContact C-N 3.29Å; N328-D330 HydrophobicContact CB-CB 4.3Å; N328-D330 VanDerWaalsContact CB-CG 3.48Å; N328-D330 VanDerWaalsContact CB-OD2 3.27Å; N328-D330 WeakPolarHBondContact CB-OD2 3.38Å; N328-D330 PolarHBondContact ND2-OD2 2.95Å; N328-D330 PolarHBondContact O-N 2.95Å
329R91.9Very high95.5Very high158 Ų15833.5 Ų33.560%0.59617%0.174SC*.SBendtrans-9649.5173.4-67.4-17665.4-171-2.8111.3
330D87.8Confident95.3Very high60 Ų6029.1 Ų29.132%0.32115%0.151SC..  trans-106.8-7.7-174.650.42.5000113.8Q125 T326 N328Q125-D330 PolarHBondContact OE1-OD2 3.06Å; T326-D330 PolarHBondContact OG1-OD1 3.22Å; N328-D330 VanDerWaalsContact C-N 3.29Å; N328-D330 HydrophobicContact CB-CB 4.3Å; N328-D330 VanDerWaalsContact CB-CG 3.48Å; N328-D330 VanDerWaalsContact CB-OD2 3.27Å; N328-D330 WeakPolarHBondContact CB-OD2 3.38Å; N328-D330 PolarHBondContact ND2-OD2 2.95Å; N328-D330 PolarHBondContact O-N 2.95Å
331L94.3Very high94.8Very high6 Ų629.8 Ų29.83%0.03115%0.154CC..  trans-107139.5179.7-66.5-175.8000112.9Q125 S184 A320 F322 I325 T326Q125-L331 HydrophobicContact CG-CD2 4.29Å; S184-L331 WeakPolarHBondContact OG-CA 3.38Å; S184-L331 VanDerWaalsContact OG-CD2 3.27Å; S184-L331 WeakPolarHBondContact OG-CD2 3.25Å; A320-L331 WeakPolarHBondContact CB-O 3.46Å; F322-L331 HydrophobicContact CB-CB 3.95Å; F322-L331 WeakPolarHBondContact CD2-O 3.41Å; I325-L331 HydrophobicContact CB-CD1 3.9Å; I325-L331 HydrophobicContact CD1-CD1 4.23Å; I325-L331 HydrophobicContact CG2-CD1 3.7Å; T326-L331 HydrophobicContact CG2-CD1 3.45Å; T326-L331 VanDerWaalsContact CG2-CD1 3.45Å; T326-L331 HydrophobicContact CG2-CG 3.95Å
332Y96.7Very high94.4Very high47 Ų4728.8 Ų28.818%0.18415%0.148CC..  trans-138.6153.5165.870-77.9000109L182 S184 L185 P317 A320 S334L182-Y332 PolarHBondContact O-OH 3.41Å; S184-Y332 VanDerWaalsContact CB-CE1 3.49Å; S184-Y332 WeakPolarHBondContact CB-O 3.29Å; S184-Y332 PolarHBondContact OG-N 3.09Å; S184-Y332 PolarHBondContact OG-O 3.49Å; L185-Y332 VanDerWaalsContact CB-O 3.32Å; L185-Y332 WeakPolarHBondContact CB-O 3.31Å; L185-Y332 PolarHBondContact N-O 2.97Å; P317-Y332 HydrophobicContact CB-CD1 4.02Å; P317-Y332 HydrophobicContact CB-CE1 4.16Å; P317-Y332 HydrophobicContact CB-CG 4.29Å; P317-Y332 HydrophobicContact CG-CD1 4.07Å; P317-Y332 HydrophobicContact CG-CD2 3.92Å; P317-Y332 HydrophobicContact CG-CE1 3.96Å; P317-Y332 HydrophobicContact CG-CE2 3.77Å; P317-Y332 HydrophobicContact CG-CG 4.08Å; A320-Y332 VanDerWaalsContact CB-CB 3.46Å; Y332-S334 WeakPolarHBondContact CE2-OG 3.44Å; Y332-S334 PolarHBondContact O-N 2.97Å
333V97.1Very high94Very high0 Ų031.8 Ų31.80%016%0.162CC..EExtended strand (participates in β ladder)trans-75.3111.7173.2177.90000107.8T65 L185 M314 F315 F322 D335T65-V333 HydrophobicContact CG2-CG2 4.08Å; L185-V333 HydrophobicContact CD2-CG2 3.96Å; L185-V333 HydrophobicContact CG-CG2 4.45Å; L185-V333 CarbonylContact O-C 3.48Å; L185-V333 WeakPolarHBondContact O-CA 3.43Å; M314-V333 HydrophobicContact CE-CB 4.08Å; M314-V333 HydrophobicContact CE-CG1 4.28Å; M314-V333 HydrophobicContact CE-CG2 3.66Å; M314-V333 PolarHBondContact O-N 2.97Å; F315-V333 WeakPolarHBondContact CA-O 3.48Å; F315-V333 HydrophobicContact CD1-CB 4.02Å; F315-V333 HydrophobicContact CD1-CG1 3.88Å; F315-V333 VanDerWaalsContact CD1-O 3.29Å; F315-V333 WeakPolarHBondContact CD1-O 3.25Å; F315-V333 HydrophobicContact CE1-CB 4.07Å; F315-V333 HydrophobicContact CE1-CG1 3.54Å; F322-V333 HydrophobicContact CE2-CG2 3.84Å; F322-V333 HydrophobicContact CZ-CG2 3.93Å; V333-D335 VanDerWaalsContact CG1-O 3.29Å; V333-D335 WeakPolarHBondContact CG1-O 3.42Å
334S96.4Very high93.8Very high14 Ų1430.4 Ų30.410%0.09815%0.153CC..EExtended strand (participates in β ladder)trans-71.7-47.2176.6-61.80000110.1T183 S184 L185 K303 Y332T183-S334 WeakPolarHBondContact CA-OG 3.35Å; S184-S334 PolarHBondContact N-OG 2.95Å; L185-S334 PolarHBondContact O-N 2.93Å; K303-S334 WeakPolarHBondContact CD-O 3.27Å; K303-S334 WeakPolarHBondContact CE-O 3.41Å; K303-S334 PolarHBondContact NZ-O 2.97Å; Y332-S334 WeakPolarHBondContact CE2-OG 3.44Å; Y332-S334 PolarHBondContact O-N 2.97Å
335D95.6Very high93.5Very high30 Ų3028.7 Ų28.716%0.1615%0.147CC..EExtended strand (participates in β ladder)trans-153165.9175-138.6-37.3000113.3L187 K303 V333 F337L187-D335 PolarHBondContact N-O 3.04Å; K303-D335 WeakPolarHBondContact CB-OD1 3.22Å; V333-D335 VanDerWaalsContact CG1-O 3.29Å; V333-D335 WeakPolarHBondContact CG1-O 3.42Å; D335-F337 HydrophobicContact CB-CD2 4.46Å; D335-F337 HydrophobicContact CB-CE2 3.63Å; D335-F337 HydrophobicContact CB-CZ 3.86Å
336A96.6Very high93.3Very high0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-139132.2177.600000109.8L187 L302 K303 L306 F315L187-A336 HydrophobicContact CB-CB 3.91Å; L187-A336 HydrophobicContact CD2-CB 4.21Å; L187-A336 HydrophobicContact CG-CB 4.47Å; L187-A336 WeakPolarHBondContact O-CA 3.37Å; L302-A336 HydrophobicContact CB-CB 4.07Å; L302-A336 VanDerWaalsContact CB-O 3.29Å; L302-A336 WeakPolarHBondContact CB-O 3.4Å; L302-A336 HydrophobicContact CD2-CB 4.15Å; L302-A336 HydrophobicContact CG-CB 4.25Å; L302-A336 PolarHBondContact N-O 3.06Å; K303-A336 PolarHBondContact N-O 3.01Å; L306-A336 HydrophobicContact CD1-CB 4.18Å; F315-A336 HydrophobicContact CE1-CB 4.48Å
337F95.6Very high92.8Very high10 Ų1035.1 Ų35.14%0.04417%0.174CC..EExtended strand (participates in β ladder)trans-125.4137.3-176-60.9-85.8000111.1L173 I174 A178 V186 L187 I188 N189 D335L173-F337 HydrophobicContact CD2-CB 3.52Å; L173-F337 HydrophobicContact CD2-CG 4.33Å; I174-F337 HydrophobicContact CB-CD2 4.49Å; I174-F337 HydrophobicContact CB-CE2 4.42Å; I174-F337 HydrophobicContact CB-CZ 4.49Å; I174-F337 HydrophobicContact CG2-CB 4.03Å; I174-F337 HydrophobicContact CG2-CD1 3.94Å; I174-F337 HydrophobicContact CG2-CD2 3.35Å; I174-F337 HydrophobicContact CG2-CE1 4.24Å; I174-F337 HydrophobicContact CG2-CE2 3.67Å; I174-F337 HydrophobicContact CG2-CG 3.5Å; I174-F337 VanDerWaalsContact CG2-CG 3.5Å; I174-F337 HydrophobicContact CG2-CZ 4.13Å; A178-F337 HydrophobicContact CB-CE1 4.3Å; A178-F337 HydrophobicContact CB-CE2 4.13Å; A178-F337 HydrophobicContact CB-CZ 3.58Å; V186-F337 HydrophobicContact CG1-CD2 3.94Å; V186-F337 HydrophobicContact CG1-CE2 3.98Å; L187-F337 PolarHBondContact O-N 2.82Å; I188-F337 HydrophobicContact CD1-CB 4.19Å; I188-F337 HydrophobicContact CD1-CD2 3.87Å; I188-F337 HydrophobicContact CD1-CG 4.45Å; N189-F337 PolarHBondContact N-O 3.5Å; D335-F337 HydrophobicContact CB-CD2 4.46Å; D335-F337 HydrophobicContact CB-CE2 3.63Å; D335-F337 HydrophobicContact CB-CZ 3.86Å
338H95.3Very high91.2Very high4 Ų433.6 Ų33.62%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-129121.8173.6175.361.1000110.4S54 I58 N189 L300 L302S54-H338 PolarHBondContact N-NE2 2.86Å; S54-H338 VanDerWaalsContact N-NE2 3.1Å; I58-H338 HydrophobicContact CD1-CB 4.41Å; I58-H338 HydrophobicContact CG1-CB 4.26Å; N189-H338 VanDerWaalsContact O-CA 3.27Å; N189-H338 WeakPolarHBondContact O-CA 3.39Å; N189-H338 PolarHBondContact OD1-CE1 2.93Å; N189-H338 PolarHBondContact OD1-ND1 3.25Å; L300-H338 HydrophobicContact CB-CB 4.2Å; L300-H338 PolarHBondContact N-O 3.49Å; L300-H338 PolarHBondContact O-N 3.35Å; L300-H338 VanDerWaalsContact O-N 3.13Å; L302-H338 HydrophobicContact CB-CB 4.33Å; L302-H338 HydrophobicContact CD2-CB 4.28Å
339K94.7Very high88Confident12 Ų1233.2 Ų33.25%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-122.1127.9172-173.7156-174.1155.30110.4I170 K171 L173 N189 A190 I191 E297 Y298 D299I170-K339 HydrophobicContact CG2-CB 4.08Å; I170-K339 HydrophobicContact CG2-CD 3.53Å; I170-K339 HydrophobicContact CG2-CG 3.65Å; K171-K339 PolarHBondContact O-NZ 2.94Å; K171-K339 VanDerWaalsContact O-NZ 3.08Å; L173-K339 HydrophobicContact CB-CD 4.4Å; L173-K339 HydrophobicContact CD1-CB 3.75Å; L173-K339 HydrophobicContact CG-CB 3.88Å; N189-K339 PolarHBondContact O-N 2.97Å; A190-K339 WeakPolarHBondContact CA-O 3.31Å; I191-K339 PolarHBondContact N-O 3.38Å; E297-K339 WeakPolarHBondContact OE1-CE 3.37Å; E297-K339 IonicContact OE1-NZ 3.27Å; E297-K339 PolarHBondContact OE1-NZ 2.79Å; Y298-K339 WeakPolarHBondContact O-CA 3.32Å; D299-K339 WeakPolarHBondContact OD1-CD 3.32Å; D299-K339 WeakPolarHBondContact OD1-CE 3.11Å; D299-K339 WeakPolarHBondContact OD1-CG 3.21Å; D299-K339 IonicContact OD1-NZ 3.57Å; D299-K339 PolarHBondContact OD1-NZ 3.36Å; D299-K339 VanDerWaalsContact OD1-NZ 3.16Å; D299-K339 IonicContact OD2-NZ 3.35Å; D299-K339 PolarHBondContact OD2-NZ 3.26Å
340A92.6Very high84.9Confident1 Ų134.1 Ų34.11%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-131.8145.5-178.600000111.5F52 I191 E297 Y298 F393F52-A340 HydrophobicContact CD2-CB 4.35Å; F52-A340 HydrophobicContact CE2-CB 3.56Å; F52-A340 VanDerWaalsContact CZ-C 3.43Å; F52-A340 HydrophobicContact CZ-CB 3.83Å; F52-A340 VanDerWaalsContact CZ-O 3.24Å; F52-A340 WeakPolarHBondContact CZ-O 3.29Å; I191-A340 HydrophobicContact CG2-CB 4.01Å; I191-A340 WeakPolarHBondContact O-CA 3.25Å; E297-A340 WeakPolarHBondContact CA-O 3.29Å; Y298-A340 PolarHBondContact N-O 3.48Å; Y298-A340 PolarHBondContact O-N 3.06Å; Y298-A340 VanDerWaalsContact O-N 3.09Å; A340-F393 HydrophobicContact CB-CE1 4.34Å
341F89.6Confident82Confident18 Ų1835.7 Ų35.78%0.07920%0.195CC..EExtended strand (participates in β ladder)trans-130.2135.1177.7-177.9-80.6000110.8I191 Y192 K295 E297 E343I191-F341 PolarHBondContact O-N 3.46Å; Y192-F341 HydrophobicContact CD2-CB 3.98Å; Y192-F341 AromaticContact CD2-CD1 3.48Å; Y192-F341 HydrophobicContact CD2-CD1 3.48Å; Y192-F341 VanDerWaalsContact CD2-CD1 3.48Å; Y192-F341 HydrophobicContact CD2-CE1 4.13Å; Y192-F341 AromaticContact CD2-CG 3.87Å; Y192-F341 HydrophobicContact CD2-CG 3.87Å; Y192-F341 AromaticContact CE2-CD1 3.46Å; Y192-F341 HydrophobicContact CE2-CD1 3.46Å; Y192-F341 VanDerWaalsContact CE2-CD1 3.46Å; Y192-F341 AromaticContact CE2-CE1 3.61Å; Y192-F341 HydrophobicContact CE2-CE1 3.61Å; Y192-F341 HydrophobicContact CE2-CG 4.19Å; Y192-F341 HydrophobicContact CE2-CZ 4.39Å; K295-F341 HydrophobicContact CD-CE2 4.27Å; K295-F341 HydrophobicContact CD-CZ 4.14Å; K295-F341 HydrophobicContact CG-CE2 4.27Å; K295-F341 HydrophobicContact CG-CZ 4.09Å; E297-F341 HydrophobicContact CB-CD2 4.33Å; E297-F341 HydrophobicContact CG-CD2 4.44Å; F341-E343 HydrophobicContact CE1-CB 3.84Å; F341-E343 HydrophobicContact CZ-CB 4.32Å
342I89.1Confident78.7Confident0 Ų040.3 Ų40.30%023%0.234CC..EExtended strand (participates in β ladder)trans-141.5137.5171.5-167.4175.4000110.7F52 K295 L296 I344 F381 I383F52-I342 HydrophobicContact CD1-CG2 4.09Å; F52-I342 HydrophobicContact CD2-CB 4.44Å; F52-I342 HydrophobicContact CD2-CG2 3.94Å; F52-I342 HydrophobicContact CE1-CG2 3.8Å; F52-I342 HydrophobicContact CE2-CB 3.84Å; F52-I342 HydrophobicContact CE2-CG2 3.6Å; F52-I342 HydrophobicContact CG-CG2 4.17Å; F52-I342 HydrophobicContact CZ-CB 4.02Å; F52-I342 HydrophobicContact CZ-CG2 3.53Å; K295-I342 WeakPolarHBondContact CA-O 3Å; L296-I342 HydrophobicContact CB-CG2 3.91Å; L296-I342 PolarHBondContact N-O 3.26Å; L296-I342 PolarHBondContact O-N 2.87Å; I342-I344 HydrophobicContact CD1-CD1 4.11Å; I342-I344 HydrophobicContact CG1-CD1 4.1Å; I342-I344 HydrophobicContact CG1-CG1 4.46Å; I342-F381 HydrophobicContact CD1-CD2 4.41Å; I342-F381 HydrophobicContact CD1-CE2 3.95Å; I342-I383 HydrophobicContact CD1-CD1 3.51Å; I342-I383 HydrophobicContact CD1-CG1 4.42Å; I342-I383 HydrophobicContact CG1-CD1 4.32Å
343E89.2Confident75.4Confident62 Ų6241.7 Ų41.729%0.2926%0.255SS..EExtended strand (participates in β ladder)trans-129.5125.5174.9-173.3-170.8170.800109.8K295 F341 N345K295-E343 HydrophobicContact CB-CG 4.36Å; K295-E343 HydrophobicContact CG-CB 4.49Å; K295-E343 HydrophobicContact CG-CG 4.47Å; F341-E343 HydrophobicContact CE1-CB 3.84Å; F341-E343 HydrophobicContact CZ-CB 4.32Å; E343-N345 PolarHBondContact OE1-ND2 3.47Å
344I91.3Very high72Confident2 Ų246.1 Ų46.11%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-116.5111.2177.7-55.8-55.2000108.2W197 M224 M252 K293 F294 I342W197-I344 HydrophobicContact CH2-CD1 4.42Å; W197-I344 HydrophobicContact CZ2-CD1 4.33Å; W197-I344 HydrophobicContact CZ2-CG2 3.89Å; M224-I344 HydrophobicContact CE-CG2 3.72Å; M252-I344 HydrophobicContact CE-CD1 3.69Å; M252-I344 HydrophobicContact CE-CG1 3.88Å; M252-I344 HydrophobicContact SD-CD1 3.34Å; M252-I344 WeakPolarHBondContact SD-CD1 3.36Å; M252-I344 HydrophobicContact SD-CG1 4.13Å; K293-I344 WeakPolarHBondContact CA-O 3.39Å; K293-I344 WeakPolarHBondContact CG-O 3.38Å; F294-I344 HydrophobicContact CD1-CB 4.27Å; F294-I344 HydrophobicContact CD2-CB 4.4Å; F294-I344 HydrophobicContact CD2-CG1 4.2Å; F294-I344 HydrophobicContact CE1-CB 4.09Å; F294-I344 HydrophobicContact CE1-CG1 4.05Å; F294-I344 HydrophobicContact CE1-CG2 4.25Å; F294-I344 HydrophobicContact CE2-CB 4.26Å; F294-I344 HydrophobicContact CE2-CG1 3.64Å; F294-I344 HydrophobicContact CG-CB 4.42Å; F294-I344 HydrophobicContact CZ-CB 4.11Å; F294-I344 HydrophobicContact CZ-CG1 3.56Å; F294-I344 PolarHBondContact N-O 3.12Å; F294-I344 PolarHBondContact O-N 3.28Å; I342-I344 HydrophobicContact CD1-CD1 4.11Å; I342-I344 HydrophobicContact CG1-CD1 4.1Å; I342-I344 HydrophobicContact CG1-CG1 4.46Å
345N92.1Very high68.9Low28 Ų2850.2 Ų50.215%0.1532%0.316CS..  trans-139.7-174.4179.767.136.4000111W197 M224 K293 E343 K347W197-N345 PolarHBondContact NE1-O 3.25Å; M224-N345 VanDerWaalsContact SD-O 3.4Å; K293-N345 HydrophobicContact CD-CB 4.43Å; K293-N345 HydrophobicContact CG-CB 4.26Å; E343-N345 PolarHBondContact OE1-ND2 3.47Å; N345-K347 VanDerWaalsContact C-N 3.29Å; N345-K347 PolarHBondContact O-N 3.28Å; N345-K347 PolarHBondContact OD1-N 3.4Å
346E92.4Very high65.6Low13 Ų1352.7 Ų52.76%0.06134%0.341CS..SBendtrans-70.6-25-174.6-62.491.515700114P200 F201 T203 T206 M224 K293P200-E346 WeakPolarHBondContact CB-O 3.32Å; F201-E346 HydrophobicContact CB-CB 3.97Å; F201-E346 HydrophobicContact CB-CG 4.09Å; F201-E346 PolarHBondContact N-O 2.83Å; T203-E346 HydrophobicContact CG2-CB 3.78Å; T203-E346 HydrophobicContact CG2-CG 3.94Å; T206-E346 WeakPolarHBondContact CB-OE1 3.07Å; T206-E346 WeakPolarHBondContact CG2-OE1 3.33Å; T206-E346 VanDerWaalsContact OG1-CG 3.28Å; T206-E346 WeakPolarHBondContact OG1-CG 3.44Å; T206-E346 PolarHBondContact OG1-OE1 3.35Å; M224-E346 HydrophobicContact CG-CG 3.99Å; M224-E346 HydrophobicContact SD-CB 4.4Å; M224-E346 HydrophobicContact SD-CG 3.86Å; M224-E346 PolarHBondContact SD-N 3Å; M224-E346 VanDerWaalsContact SD-N 3.4Å; K293-E346 WeakPolarHBondContact CD-OE2 3.48Å; K293-E346 WeakPolarHBondContact CE-OE2 3.27Å; K293-E346 IonicContact NZ-OE1 3.51Å; K293-E346 PolarHBondContact NZ-OE1 2.98Å; K293-E346 IonicContact NZ-OE2 3.67Å; K293-E346 PolarHBondContact NZ-OE2 3.24Å
347K83.9Confident62.5Low133 Ų13357.9 Ų57.958%0.57837%0.373SS*.  trans-84.1154.5-162.7-79.8-167.4175.3-172.60114N345N345-K347 VanDerWaalsContact C-N 3.29Å; N345-K347 PolarHBondContact O-N 3.28Å; N345-K347 PolarHBondContact OD1-N 3.4Å
348G59.9Low59.3Low12 Ų1263.8 Ų63.812%0.12441%0.409CS..SBendtrans-154.237164.500000114.5D196D196-G348 VanDerWaalsContact CA-CA 3.41Å; D196-G348 WeakPolarHBondContact CB-O 3.36Å; D196-G348 VanDerWaalsContact OD1-CA 3.23Å; D196-G348 WeakPolarHBondContact OD1-CA 3.38Å
349S25Very low56.3Low87 Ų8769 Ų6961%0.60844%0.442SS*.  trans62.6147.6-152.1-163.20000114.1D196 A351D196-S349 PolarHBondContact OD2-N 3.22Å; S349-A351 PolarHBondContact O-N 3.21Å
350E27.8Very low53.6Low177 Ų17771.4 Ų71.483%0.82747%0.47SS*.  trans-94.290.3-172.2-169.4173.6-175.900109.7
351A27.8Very low50.8Low94 Ų9482.4 Ų82.478%0.77752%0.517SS*.  trans-103.4101.7162.400000108.6S349 A353S349-A351 PolarHBondContact O-N 3.21Å; A351-A353 PolarHBondContact O-N 2.95Å
352A24.7Very low48.5Very low102 Ų10284.2 Ų84.284%0.84354%0.541SS*.  trans-62.598.116900000109.8
353A26.6Very low46.3Very low77 Ų7790 Ų9064%0.63658%0.581SS**  trans-126.387.1158.600000108A351 T355A351-A353 PolarHBondContact O-N 2.95Å; A353-T355 PolarHBondContact O-N 3.3Å
354A26.3Very low44Very low92 Ų9292.4 Ų92.476%0.7661%0.605SS**  trans-71.37916800000109.2A356A354-A356 PolarHBondContact O-N 3.27Å
355T30Very low41.8Very low101 Ų10197.1 Ų97.162%0.6264%0.636SS**  trans-79.983.9163.6-33.70000107.6A353 V357A353-T355 PolarHBondContact O-N 3.3Å; T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.22Å; T355-V357 PolarHBondContact O-N 3.27Å; T355-V357 VanDerWaalsContact O-N 3.09Å
356A28.2Very low39.6Very low82 Ų82102.3 Ų102.368%0.67867%0.668SS**  trans-68.297.5160.100000106.6A354 V358A354-A356 PolarHBondContact O-N 3.27Å; A356-V358 VanDerWaalsContact C-N 3.3Å; A356-V358 PolarHBondContact O-N 3.34Å
357V29.7Very low37.6Very low109 Ų109109.8 Ų109.866%0.66170%0.704SS**  trans-72.495.5167.5-176.70000106.5T355 T359T355-V357 VanDerWaalsContact C-N 3.32Å; T355-V357 HydrophobicContact CG2-CG2 4.22Å; T355-V357 PolarHBondContact O-N 3.27Å; T355-V357 VanDerWaalsContact O-N 3.09Å; V357-T359 VanDerWaalsContact C-N 3.29Å; V357-T359 HydrophobicContact CG1-CG2 3.51Å; V357-T359 PolarHBondContact O-N 3.05Å; V357-T359 VanDerWaalsContact O-N 3.17Å
358V28.7Very low37Very low134 Ų134108.3 Ų108.381%0.81271%0.706SS**  trans-77.187.8161.6-176.80000105.8A356 G360A356-V358 VanDerWaalsContact C-N 3.3Å; A356-V358 PolarHBondContact O-N 3.34Å; V358-G360 PolarHBondContact O-N 2.82Å
359T33.6Very low38.2Very low114 Ų114118.6 Ų118.670%0.69974%0.741SS**  trans-73.7114.8166.745.20000108.2V357V357-T359 VanDerWaalsContact C-N 3.29Å; V357-T359 HydrophobicContact CG1-CG2 3.51Å; V357-T359 PolarHBondContact O-N 3.05Å; V357-T359 VanDerWaalsContact O-N 3.17Å
360G36.3Very low41.5Very low62 Ų62116 Ų11664%0.63972%0.722SS**  trans-58.9157.4175.400000113.3V358 G362V358-G360 PolarHBondContact O-N 2.82Å; G360-G362 PolarHBondContact O-N 3.15Å
361F35.8Very low44.7Very low231 Ų231108.4 Ų108.4100%1.01369%0.688SS**  trans-59.4103.2177.3-66.3-90.5000110.7
362G39.5Very low48.1Very low56 Ų56109 Ų10958%0.57767%0.673SS**  trans-143.3110.9169.600000108.8G360G360-G362 PolarHBondContact O-N 3.15Å
363S42.9Very low51.6Low121 Ų121104.2 Ų104.285%0.84663%0.633SS**  trans20.996.1165.932.90000116.6P365S363-P365 WeakPolarHBondContact O-CD 3.46Å; S363-P365 VanDerWaalsContact O-N 3.15Å
364S41.4Very low55Low113 Ų113103.5 Ų103.579%0.7962%0.618SS**  trans-54.3107.8-179.6-560000113.6
365P44.5Very low58.4Low102 Ų10299.1 Ų99.166%0.66258%0.582SS**  trans-64.3142.914830.1-29.8000106.8S363 Q367S363-P365 WeakPolarHBondContact O-CD 3.46Å; S363-P365 VanDerWaalsContact O-N 3.15Å; P365-Q367 VanDerWaalsContact C-N 3.34Å; P365-Q367 WeakPolarHBondContact O-CA 3.4Å; P365-Q367 PolarHBondContact O-N 3.14Å
366V47.3Very low61.7Low136 Ų13696 Ų9682%0.82456%0.561SS**  trans-43.797.8178.8177.60000109.1T368V366-T368 HydrophobicContact CG1-CG2 4.42Å; V366-T368 PolarHBondContact O-N 3.08Å
367Q49.2Very low65Low171 Ų17192.6 Ų92.680%0.79953%0.532SS*.  trans-8183.9-172.1-155.8175.586.600105.3P365 R369P365-Q367 VanDerWaalsContact C-N 3.34Å; P365-Q367 WeakPolarHBondContact O-CA 3.4Å; P365-Q367 PolarHBondContact O-N 3.14Å; Q367-R369 PolarHBondContact O-N 2.9Å; Q367-R369 VanDerWaalsContact O-N 3.13Å
368T71.2Confident68.3Low102 Ų10287.5 Ų87.563%0.62650%0.501SS*.PPolyproline II helixtrans-52.7123.7172.655.20000107.2V366V366-T368 HydrophobicContact CG1-CG2 4.42Å; V366-T368 PolarHBondContact O-N 3.08Å
369R86.5Confident71.6Confident227 Ų22781.1 Ų81.186%0.85746%0.462SS*.PPolyproline II helixtrans-52.6138.8176-69.4-179.1180173.8-0.3108Q367Q367-R369 PolarHBondContact O-N 2.9Å; Q367-R369 VanDerWaalsContact O-N 3.13Å
370P92.6Very high74.6Confident32 Ų3275.7 Ų75.721%0.20843%0.429CS..PPolyproline II helixtrans-56.2143.517824.7-33000109.5E227 K286E227-P370 HydrophobicContact CG-CG 4.39Å; K286-P370 HydrophobicContact CB-CB 4.47Å; K286-P370 HydrophobicContact CG-CB 4.43Å; K286-P370 WeakPolarHBondContact O-CB 3.19Å
371P96.2Very high77.5Confident18 Ų1872.8 Ų72.812%0.11740%0.398CS..PPolyproline II helixtrans-56.6144.2171.125.5-35.6000109.8Y232 K286 V287 E288Y232-P371 HydrophobicContact CD1-CG 4.14Å; Y232-P371 HydrophobicContact CE1-CB 3.93Å; Y232-P371 HydrophobicContact CE1-CG 3.83Å; Y232-P371 HydrophobicContact CE2-CB 4.47Å; K286-P371 WeakPolarHBondContact O-CD 3.49Å; V287-P371 HydrophobicContact CG1-CG 4.48Å; V287-P371 WeakPolarHBondContact CG1-O 3.35Å; V287-P371 HydrophobicContact CG2-CG 4.22Å; E288-P371 PolarHBondContact N-O 3.27Å
372K98Very high80.5Confident108 Ų10861.9 Ų61.947%0.4735%0.351SS..EExtended strand (participates in β ladder)trans-97.4125.4174.4-56.7-173.3177.6-111.90109.1Q239 E288 I374Q239-K372 PolarHBondContact NE2-O 3.35Å; E288-K372 HydrophobicContact CB-CG 4.24Å; E288-K372 CarbonylContact O-C 3.53Å; E288-K372 WeakPolarHBondContact O-CA 3.28Å; E288-K372 IonicContact OE1-NZ 2.92Å; E288-K372 PolarHBondContact OE1-NZ 2.75Å; E288-K372 WeakPolarHBondContact OE2-CE 3.08Å; E288-K372 IonicContact OE2-NZ 2.73Å; E288-K372 PolarHBondContact OE2-NZ 2.96Å; K372-I374 HydrophobicContact CB-CD1 4.19Å; K372-I374 HydrophobicContact CB-CG1 4.08Å; K372-I374 HydrophobicContact CD-CD1 4.22Å
373F98.6Very high83.1Confident0 Ų059.2 Ų59.20%032%0.323CS..EExtended strand (participates in β ladder)trans-106.8100.1168.3-172.5-82.8000107.4Y232 Q239 L241 F254 L256 V287 E288 H290 A375Y232-F373 HydrophobicContact CE2-CB 4.47Å; Y232-F373 HydrophobicContact CE2-CD2 4.15Å; Q239-F373 HydrophobicContact CB-CD2 3.74Å; Q239-F373 HydrophobicContact CB-CE2 3.76Å; L241-F373 HydrophobicContact CB-CD1 4.24Å; L241-F373 HydrophobicContact CB-CD2 3.73Å; L241-F373 HydrophobicContact CB-CE1 4.19Å; L241-F373 HydrophobicContact CB-CE2 3.67Å; L241-F373 HydrophobicContact CB-CG 4.01Å; L241-F373 HydrophobicContact CB-CZ 3.92Å; L241-F373 HydrophobicContact CD2-CB 4.26Å; L241-F373 HydrophobicContact CD2-CD1 3.59Å; L241-F373 HydrophobicContact CD2-CD2 4.41Å; L241-F373 HydrophobicContact CD2-CE1 3.98Å; L241-F373 HydrophobicContact CD2-CG 3.84Å; F254-F373 HydrophobicContact CB-CE1 3.81Å; F254-F373 HydrophobicContact CB-CZ 3.5Å; F254-F373 HydrophobicContact CG-CE1 4.48Å; L256-F373 HydrophobicContact CB-CE1 4.39Å; L256-F373 HydrophobicContact CB-CE2 3.71Å; L256-F373 HydrophobicContact CB-CZ 3.57Å; L256-F373 HydrophobicContact CD2-CE1 4.46Å; L256-F373 HydrophobicContact CD2-CE2 4.37Å; L256-F373 HydrophobicContact CD2-CZ 4.3Å; V287-F373 HydrophobicContact CG1-CB 3.9Å; E288-F373 PolarHBondContact O-N 3.33Å; H290-F373 PolarHBondContact N-O 3.17Å; F373-A375 HydrophobicContact CE1-CB 4.07Å
374I98.5Very high85.6Confident62 Ų6253.8 Ų53.832%0.31829%0.285SS..EExtended strand (participates in β ladder)trans-113.9100.7-176.7-53177.9000108.8L256 H290 K372 D376L256-I374 WeakPolarHBondContact CD2-O 3.4Å; H290-I374 HydrophobicContact CB-CB 4.45Å; H290-I374 HydrophobicContact CB-CG1 4.38Å; H290-I374 HydrophobicContact CB-CG2 4.18Å; K372-I374 HydrophobicContact CB-CD1 4.19Å; K372-I374 HydrophobicContact CB-CG1 4.08Å; K372-I374 HydrophobicContact CD-CD1 4.22Å; I374-D376 HydrophobicContact CG2-CB 3.95Å; I374-D376 PolarHBondContact O-N 3.29Å
375A98.4Very high87.9Confident0 Ų048.4 Ų48.40%025%0.247CC..  trans-82.759.7179.900000111.7F211 L256 H290 P292 F373 H377 F379F211-A375 WeakPolarHBondContact CE2-O 3.41Å; L256-A375 HydrophobicContact CD1-CB 4.4Å; H290-A375 PolarHBondContact O-N 3.06Å; P292-A375 WeakPolarHBondContact CD-O 3.47Å; P292-A375 WeakPolarHBondContact CG-O 3.18Å; F373-A375 HydrophobicContact CE1-CB 4.07Å; A375-H377 VanDerWaalsContact C-N 3.32Å; A375-F379 HydrophobicContact CB-CD1 3.68Å; A375-F379 HydrophobicContact CB-CE1 3.73Å; A375-F379 HydrophobicContact CB-CG 4.39Å; A375-F379 HydrophobicContact CB-CZ 4.5Å
376D98.2Very high89.9Confident36 Ų3650.9 Ų50.919%0.19324%0.244CC..  trans-88.79.3-178.969.1-9.3000114.1F211 Y212 M223 I374F211-D376 CarbonylContact C-O 3.53Å; F211-D376 WeakPolarHBondContact CA-O 3.47Å; F211-D376 VanDerWaalsContact CD2-C 3.43Å; Y212-D376 HydrophobicContact CD2-CB 4.47Å; Y212-D376 WeakPolarHBondContact CD2-O 3.37Å; Y212-D376 PolarHBondContact N-O 3.21Å; M223-D376 HydrophobicContact CE-CB 4.43Å; I374-D376 HydrophobicContact CG2-CB 3.95Å; I374-D376 PolarHBondContact O-N 3.29Å
377H98.1Very high91.7Very high11 Ų1146.9 Ų46.95%0.05122%0.221CC..SBendtrans-156.9171.9-179.164.4-91.5000110.3L256 P257 R260 A375 F379L256-H377 VanDerWaalsContact CD1-CE1 3.46Å; L256-H377 WeakPolarHBondContact CD1-CE1 3.29Å; L256-H377 WeakPolarHBondContact CD1-NE2 3.35Å; P257-H377 PolarHBondContact O-CE1 2.76Å; P257-H377 PolarHBondContact O-NE2 2.88Å; R260-H377 VanDerWaalsContact CA-CD2 3.49Å; R260-H377 WeakPolarHBondContact CA-CD2 3.47Å; R260-H377 HydrophobicContact CB-CB 4.49Å; R260-H377 HydrophobicContact CG-CB 3.56Å; R260-H377 WeakPolarHBondContact O-CB 3.46Å; R260-H377 PolarHBondContact O-CD2 3.36Å; A375-H377 VanDerWaalsContact C-N 3.32Å; H377-F379 WeakPolarHBondContact O-CD1 3.41Å; H377-F379 PolarHBondContact O-N 2.94Å
378P97.8Very high93.5Very high2 Ų238.9 Ų38.91%0.01318%0.184CC..  trans-55.6127.7-168.9-29.234.2000114.9F211 Y212 V213 L263 Y397 Y398F211-P378 HydrophobicContact CE1-CG 4.4Å; Y212-P378 WeakPolarHBondContact O-CD 3.5Å; V213-P378 VanDerWaalsContact O-CG 3.31Å; V213-P378 WeakPolarHBondContact O-CG 3.37Å; L263-P378 HydrophobicContact CB-CB 4.15Å; L263-P378 HydrophobicContact CD2-CB 3.6Å; P378-Y397 VanDerWaalsContact CA-O 3.22Å; P378-Y397 WeakPolarHBondContact CA-O 3.39Å; P378-Y398 HydrophobicContact CB-CD1 3.71Å; P378-Y398 HydrophobicContact CB-CD2 4.36Å; P378-Y398 HydrophobicContact CB-CE1 3.52Å; P378-Y398 HydrophobicContact CB-CE2 4.2Å; P378-Y398 HydrophobicContact CB-CG 4.13Å; P378-Y398 HydrophobicContact CG-CD1 3.29Å; P378-Y398 HydrophobicContact CG-CE1 3.4Å; P378-Y398 HydrophobicContact CG-CG 4.01Å
379F97.9Very high94.5Very high0 Ų037.5 Ų37.50%017%0.167CC..EExtended strand (participates in β ladder)trans-132.7159.4-179.260.1-95.5000111.6F211 F254 L256 P292 F294 A375 H377 F381 D396 Y397F211-F379 HydrophobicContact CE2-CD1 4.46Å; F211-F379 HydrophobicContact CE2-CE1 4.18Å; F254-F379 AromaticContact CD1-CD2 3.95Å; F254-F379 HydrophobicContact CD1-CD2 3.95Å; F254-F379 AromaticContact CD1-CE2 3.63Å; F254-F379 HydrophobicContact CD1-CE2 3.63Å; F254-F379 HydrophobicContact CD1-CZ 4.41Å; F254-F379 AromaticContact CE1-CE2 3.99Å; F254-F379 HydrophobicContact CE1-CE2 3.99Å; L256-F379 HydrophobicContact CD1-CB 3.84Å; P292-F379 HydrophobicContact CG-CE1 4.07Å; P292-F379 HydrophobicContact CG-CZ 4.48Å; F294-F379 HydrophobicContact CE1-CE2 4.41Å; F294-F379 HydrophobicContact CE1-CZ 4.03Å; A375-F379 HydrophobicContact CB-CD1 3.68Å; A375-F379 HydrophobicContact CB-CE1 3.73Å; A375-F379 HydrophobicContact CB-CG 4.39Å; A375-F379 HydrophobicContact CB-CZ 4.5Å; H377-F379 WeakPolarHBondContact O-CD1 3.41Å; H377-F379 PolarHBondContact O-N 2.94Å; F379-F381 HydrophobicContact CD2-CB 4.4Å; F379-F381 HydrophobicContact CE2-CB 4.23Å; F379-F381 HydrophobicContact CE2-CD1 4.14Å; F379-D396 WeakPolarHBondContact O-CA 3.5Å; F379-Y397 HydrophobicContact CD1-CD1 4.32Å; F379-Y397 AromaticContact CE1-CD1 3.42Å; F379-Y397 HydrophobicContact CE1-CD1 3.42Å; F379-Y397 VanDerWaalsContact CE1-CD1 3.42Å; F379-Y397 HydrophobicContact CE1-CE1 4.29Å; F379-Y397 AromaticContact CE1-CG 3.97Å; F379-Y397 HydrophobicContact CE1-CG 3.97Å; F379-Y397 HydrophobicContact CE2-CG 4.43Å; F379-Y397 AromaticContact CZ-CD1 3.62Å; F379-Y397 HydrophobicContact CZ-CD1 3.62Å; F379-Y397 AromaticContact CZ-CG 3.73Å; F379-Y397 HydrophobicContact CZ-CG 3.73Å; F379-Y397 PolarHBondContact O-N 3.3Å
380L97.8Very high94.8Very high0 Ų026.7 Ų26.70%013%0.127CC..EExtended strand (participates in β ladder)trans-88.4139.7168.5170.770.8000108.7F254 V255 L263 M266 M267 L270 L275 I394 G395F254-L380 CarbonylContact C-O 3.59Å; F254-L380 WeakPolarHBondContact CA-O 3.37Å; V255-L380 HydrophobicContact CB-CB 4.2Å; V255-L380 HydrophobicContact CB-CD2 4.24Å; V255-L380 HydrophobicContact CG2-CD2 4.15Å; V255-L380 PolarHBondContact N-O 3.29Å; V255-L380 PolarHBondContact O-N 2.64Å; L263-L380 HydrophobicContact CD1-CB 4.19Å; M266-L380 HydrophobicContact CE-CB 3.52Å; M266-L380 HydrophobicContact CE-CD2 4.06Å; M266-L380 HydrophobicContact CE-CG 4.45Å; M267-L380 HydrophobicContact CE-CD1 3.87Å; M267-L380 HydrophobicContact SD-CB 4.29Å; M267-L380 HydrophobicContact SD-CD1 4.04Å; M267-L380 HydrophobicContact SD-CD2 4.09Å; M267-L380 HydrophobicContact SD-CG 4.37Å; L270-L380 HydrophobicContact CD1-CD2 3.89Å; L275-L380 HydrophobicContact CD1-CD2 3.84Å; L380-I394 HydrophobicContact CD1-CD1 4.07Å; L380-I394 HydrophobicContact CD1-CG1 3.61Å; L380-G395 WeakPolarHBondContact CA-O 3.18Å; L380-G395 WeakPolarHBondContact CD1-O 3.37Å
381F97.4Very high94.8Very high1 Ų125.3 Ų25.30%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-125.6151.5166.666-92.1000111.4F52 M252 Y253 F254 F294 L296 I342 F379 I394 G395 D396F52-F381 HydrophobicContact CB-CE2 4.06Å; F52-F381 HydrophobicContact CB-CZ 3.69Å; F52-F381 HydrophobicContact CG-CZ 4.29Å; M252-F381 HydrophobicContact CE-CB 3.61Å; M252-F381 HydrophobicContact CE-CD2 3.64Å; M252-F381 HydrophobicContact CE-CG 3.79Å; Y253-F381 CarbonylContact O-C 3.55Å; Y253-F381 VanDerWaalsContact O-CA 3.23Å; Y253-F381 WeakPolarHBondContact O-CA 3.24Å; F254-F381 HydrophobicContact CD1-CB 4.16Å; F254-F381 HydrophobicContact CE1-CB 4.33Å; F294-F381 HydrophobicContact CE2-CE1 4.23Å; F294-F381 HydrophobicContact CE2-CZ 4.27Å; F294-F381 HydrophobicContact CZ-CD1 4.21Å; F294-F381 HydrophobicContact CZ-CE1 4.25Å; L296-F381 HydrophobicContact CD1-CE1 4.02Å; L296-F381 HydrophobicContact CD1-CZ 3.79Å; I342-F381 HydrophobicContact CD1-CD2 4.41Å; I342-F381 HydrophobicContact CD1-CE2 3.95Å; F379-F381 HydrophobicContact CD2-CB 4.4Å; F379-F381 HydrophobicContact CE2-CB 4.23Å; F379-F381 HydrophobicContact CE2-CD1 4.14Å; F381-I394 WeakPolarHBondContact O-CA 3.46Å; F381-G395 WeakPolarHBondContact CD1-O 3.33Å; F381-G395 PolarHBondContact N-O 2.98Å; F381-G395 PolarHBondContact O-N 3.49Å; F381-D396 WeakPolarHBondContact CE1-O 3.23Å
382A97.7Very high94.7Very high1 Ų124.4 Ų24.41%0.00811%0.112CC..EExtended strand (participates in β ladder)trans-148.5142.3176.100000111.3M252 Y253 F279 V384 T391 F393 I394M252-A382 CarbonylContact C-O 3.41Å; M252-A382 WeakPolarHBondContact CA-O 3.28Å; Y253-A382 PolarHBondContact N-O 2.84Å; Y253-A382 PolarHBondContact O-N 2.89Å; F279-A382 HydrophobicContact CE2-CB 4.33Å; F279-A382 HydrophobicContact CZ-CB 3.78Å; A382-V384 HydrophobicContact CB-CG2 4.19Å; A382-T391 HydrophobicContact CB-CG2 4.28Å; A382-F393 CarbonylContact C-O 3.6Å; A382-F393 WeakPolarHBondContact CA-O 3.26Å; A382-F393 WeakPolarHBondContact CB-O 3.47Å; A382-I394 HydrophobicContact CB-CG1 4.43Å
383I95Very high94.5Very high0 Ų019.3 Ų19.30%09%0.09CC..EExtended strand (participates in β ladder)trans-102.9121.4168.5-62.9163.5000107.8F193 Y245 L250 L251 M252 I342 L392 F393F193-I383 HydrophobicContact CD1-CD1 3.41Å; F193-I383 VanDerWaalsContact CD1-CD1 3.41Å; F193-I383 HydrophobicContact CE1-CD1 3.4Å; F193-I383 HydrophobicContact CE1-CG1 4.37Å; F193-I383 HydrophobicContact CE1-CG2 4.39Å; F193-I383 HydrophobicContact CG-CD1 4.39Å; F193-I383 HydrophobicContact CZ-CD1 4.36Å; F193-I383 HydrophobicContact CZ-CG2 4.35Å; Y245-I383 HydrophobicContact CE2-CG1 4.23Å; Y245-I383 HydrophobicContact CE2-CG2 4.26Å; L250-I383 HydrophobicContact CB-CG2 4.32Å; L250-I383 HydrophobicContact CD1-CG2 4.47Å; L250-I383 HydrophobicContact CD2-CG2 4.47Å; L251-I383 WeakPolarHBondContact O-CA 3.24Å; M252-I383 HydrophobicContact CG-CG1 4.35Å; I342-I383 HydrophobicContact CD1-CD1 3.51Å; I342-I383 HydrophobicContact CD1-CG1 4.42Å; I342-I383 HydrophobicContact CG1-CD1 4.32Å; I383-L392 HydrophobicContact CG2-CB 4.46Å; I383-L392 PolarHBondContact O-N 2.99Å; I383-F393 HydrophobicContact CB-CB 4.2Å; I383-F393 HydrophobicContact CB-CD2 4.1Å; I383-F393 HydrophobicContact CD1-CB 4.15Å; I383-F393 HydrophobicContact CD1-CD2 3.64Å; I383-F393 HydrophobicContact CD1-CE2 4.36Å; I383-F393 HydrophobicContact CD1-CG 4.14Å; I383-F393 HydrophobicContact CG1-CB 4.39Å; I383-F393 HydrophobicContact CG1-CD2 4.41Å; I383-F393 PolarHBondContact N-O 2.96Å; I383-F393 PolarHBondContact O-N 3.03Å
384V94.6Very high94.4Very high7 Ų719.3 Ų19.34%0.0429%0.09CC..EExtended strand (participates in β ladder)trans-124.4135.1-172.9-1760000110.2L250 L251 Y253 F279 A382 R386 I390L250-V384 WeakPolarHBondContact CA-O 3.26Å; L251-V384 PolarHBondContact N-O 3.03Å; L251-V384 PolarHBondContact O-N 2.87Å; Y253-V384 HydrophobicContact CD2-CB 4.09Å; Y253-V384 HydrophobicContact CD2-CG2 3.87Å; Y253-V384 HydrophobicContact CE2-CB 4.1Å; Y253-V384 HydrophobicContact CE2-CG2 4.29Å; F279-V384 HydrophobicContact CD2-CG2 3.95Å; F279-V384 HydrophobicContact CE2-CG2 3.59Å; F279-V384 HydrophobicContact CZ-CG2 4.34Å; A382-V384 HydrophobicContact CB-CG2 4.19Å; V384-R386 PolarHBondContact O-N 3.25Å; V384-I390 WeakPolarHBondContact CA-O 3.29Å
385N91Very high94.3Very high1 Ų116.3 Ų16.31%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-75.8119.9169.5-178.8-43.1000110.1Y104 K249 L250 S387 N388 R389 I390Y104-N385 PolarHBondContact OH-ND2 2.75Å; Y104-N385 VanDerWaalsContact OH-ND2 3.17Å; K249-N385 WeakPolarHBondContact O-CA 3.44Å; L250-N385 HydrophobicContact CD2-CB 4Å; N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.98Å; N385-S387 WeakPolarHBondContact OD1-CB 3.27Å; N385-S387 PolarHBondContact OD1-N 3.34Å; N385-S387 PolarHBondContact OD1-OG 3.4Å; N385-N388 WeakPolarHBondContact CB-OD1 3.05Å; N385-N388 VanDerWaalsContact CG-OD1 3.23Å; N385-N388 PolarHBondContact OD1-OD1 3.45Å; N385-R389 WeakPolarHBondContact O-CA 3.38Å; N385-R389 PolarHBondContact O-N 3.07Å; N385-I390 PolarHBondContact N-O 2.79Å
386R86.6Confident94.1Very high154 Ų15416.5 Ų16.558%0.5818%0.076SC*.THydrogen-bonded Turntrans-61.4-35.2-174.9-167-178.1-176177.9-1.9113.2K249 L251 V384K249-R386 WeakPolarHBondContact O-CB 3.48Å; K249-R386 PolarHBondContact O-N 2.76Å; L251-R386 HydrophobicContact CD1-CB 3.73Å; L251-R386 HydrophobicContact CD1-CG 3.78Å; V384-R386 PolarHBondContact O-N 3.25Å
387S84.4Confident94Very high51 Ų5115.2 Ų15.236%0.3577%0.068SC..THydrogen-bonded Turntrans-75.2-37.7-171.969.30000112.8N385N385-S387 VanDerWaalsContact C-N 3.29Å; N385-S387 PolarHBondContact O-N 2.98Å; N385-S387 WeakPolarHBondContact OD1-CB 3.27Å; N385-S387 PolarHBondContact OD1-N 3.34Å; N385-S387 PolarHBondContact OD1-OG 3.4Å
388N87.3Confident93.9Very high3 Ų315.5 Ų15.52%0.0167%0.069CC..THydrogen-bonded Turntrans-123.71.1-171.761.323.4000114.2F14 S101 N385 I390F14-N388 HydrophobicContact CD1-CB 4.02Å; F14-N388 HydrophobicContact CE1-CB 3.31Å; F14-N388 HydrophobicContact CE2-CB 4.35Å; F14-N388 HydrophobicContact CZ-CB 3.51Å; S101-N388 WeakPolarHBondContact CB-ND2 3.23Å; S101-N388 PolarHBondContact OG-ND2 3.27Å; N385-N388 WeakPolarHBondContact CB-OD1 3.05Å; N385-N388 VanDerWaalsContact CG-OD1 3.23Å; N385-N388 PolarHBondContact OD1-OD1 3.45Å; N388-I390 HydrophobicContact CB-CD1 4.43Å; N388-I390 HydrophobicContact CB-CG1 4.37Å; N388-I390 WeakPolarHBondContact ND2-CD1 3.41Å; N388-I390 PolarHBondContact O-N 2.86Å; N388-I390 WeakPolarHBondContact OD1-CB 3.4Å; N388-I390 VanDerWaalsContact OD1-CG1 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.32Å; N388-I390 PolarHBondContact OD1-N 3.33Å; N388-I390 VanDerWaalsContact OD1-N 3.07Å
389R92Very high93.6Very high73 Ų7315.7 Ų15.728%0.2757%0.071SC..  trans59.920.8178.8-60.3-174.5-67.8-173.82.5114.3D30 L276 D280 N385 T391D30-R389 HydrophobicContact CB-CB 3.69Å; D30-R389 VanDerWaalsContact CG-NH2 3.35Å; D30-R389 IonicContact OD1-NH2 3.48Å; D30-R389 PolarHBondContact OD1-NH2 3.43Å; D30-R389 IonicContact OD2-CZ 3.84Å; D30-R389 IonicContact OD2-NE 2.61Å; D30-R389 PolarHBondContact OD2-NE 2.75Å; D30-R389 IonicContact OD2-NH1 2.9Å; D30-R389 IonicContact OD2-NH2 3.54Å; D30-R389 PolarHBondContact OD2-NH2 2.84Å; L276-R389 HydrophobicContact CD2-CB 4.18Å; D280-R389 IonicContact OD2-NH1 2.83Å; D280-R389 PolarHBondContact OD2-NH1 2.7Å; N385-R389 WeakPolarHBondContact O-CA 3.38Å; N385-R389 PolarHBondContact O-N 3.07Å; R389-T391 PolarHBondContact O-N 3.5Å
390I92.2Very high92.6Very high0 Ų019.2 Ų19.20%010%0.1CC..  trans-70125.2174.9-68.1173.9000109.2F56 A98 V384 N385 N388 L392F56-I390 HydrophobicContact CB-CG2 3.69Å; F56-I390 HydrophobicContact CD1-CG2 4.17Å; F56-I390 HydrophobicContact CD2-CD1 4.23Å; F56-I390 HydrophobicContact CD2-CG1 4.48Å; F56-I390 HydrophobicContact CD2-CG2 3.44Å; F56-I390 VanDerWaalsContact CD2-CG2 3.44Å; F56-I390 HydrophobicContact CE2-CD1 3.87Å; F56-I390 HydrophobicContact CE2-CG2 4.15Å; F56-I390 HydrophobicContact CG-CG2 3.45Å; F56-I390 VanDerWaalsContact CG-CG2 3.45Å; F56-I390 HydrophobicContact CZ-CD1 4.21Å; A98-I390 HydrophobicContact CB-CD1 3.49Å; A98-I390 VanDerWaalsContact CB-CD1 3.49Å; V384-I390 WeakPolarHBondContact CA-O 3.29Å; N385-I390 PolarHBondContact N-O 2.79Å; N388-I390 HydrophobicContact CB-CD1 4.43Å; N388-I390 HydrophobicContact CB-CG1 4.37Å; N388-I390 WeakPolarHBondContact ND2-CD1 3.41Å; N388-I390 PolarHBondContact O-N 2.86Å; N388-I390 WeakPolarHBondContact OD1-CB 3.4Å; N388-I390 VanDerWaalsContact OD1-CG1 3.3Å; N388-I390 WeakPolarHBondContact OD1-CG1 3.32Å; N388-I390 PolarHBondContact OD1-N 3.33Å; N388-I390 VanDerWaalsContact OD1-N 3.07Å; I390-L392 PolarHBondContact O-N 3.33Å
391T94.1Very high90.7Very high3 Ų323.4 Ų23.42%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-80.3103.7170.9-590000108.9P55 A382 R389 F393 I394P55-T391 HydrophobicContact CG-CG2 4.34Å; A382-T391 HydrophobicContact CB-CG2 4.28Å; R389-T391 PolarHBondContact O-N 3.5Å; T391-F393 VanDerWaalsContact CG2-O 3.31Å; T391-F393 WeakPolarHBondContact CG2-O 3.37Å; T391-I394 HydrophobicContact CG2-CB 3.95Å
392L92.3Very high87.7Confident0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-76.5-41.4-179.5-173.362.2000111.4S54 L102 L113 I191 I383 I390S54-L392 WeakPolarHBondContact CA-O 3.42Å; S54-L392 VanDerWaalsContact CB-O 3.25Å; S54-L392 WeakPolarHBondContact CB-O 3.44Å; S54-L392 PolarHBondContact OG-O 3.05Å; L102-L392 HydrophobicContact CD1-CD1 3.72Å; L102-L392 HydrophobicContact CD2-CD1 4.35Å; L113-L392 HydrophobicContact CD1-CD2 3.99Å; L113-L392 HydrophobicContact CD2-CD2 3.97Å; I191-L392 HydrophobicContact CD1-CD1 3.77Å; I191-L392 HydrophobicContact CD1-CG 4.14Å; I383-L392 HydrophobicContact CG2-CB 4.46Å; I383-L392 PolarHBondContact O-N 2.99Å; I390-L392 PolarHBondContact O-N 3.33Å
393F94.8Very high87.2Confident0 Ų032.7 Ų32.70%020%0.203CC..EExtended strand (participates in β ladder)trans-133.4146.6174.9-65.7-90.5000109.8F52 I53 I191 F193 A340 A382 I383 T391F52-F393 AromaticContact CD2-CD1 3.84Å; F52-F393 HydrophobicContact CD2-CD1 3.84Å; F52-F393 HydrophobicContact CD2-CE1 4.48Å; F52-F393 AromaticContact CE2-CD1 3.8Å; F52-F393 HydrophobicContact CE2-CD1 3.8Å; F52-F393 AromaticContact CE2-CE1 4Å; F52-F393 HydrophobicContact CE2-CE1 4Å; I53-F393 WeakPolarHBondContact O-CA 3.49Å; I191-F393 HydrophobicContact CD1-CE1 4.24Å; I191-F393 HydrophobicContact CD1-CE2 3.93Å; I191-F393 HydrophobicContact CD1-CZ 3.56Å; I191-F393 HydrophobicContact CG1-CE1 4.38Å; I191-F393 HydrophobicContact CG1-CE2 4.46Å; I191-F393 HydrophobicContact CG1-CZ 3.71Å; I191-F393 HydrophobicContact CG2-CE1 3.93Å; I191-F393 HydrophobicContact CG2-CZ 4.14Å; F193-F393 HydrophobicContact CB-CD2 4.38Å; F193-F393 HydrophobicContact CB-CE2 3.31Å; F193-F393 HydrophobicContact CB-CZ 3.43Å; F193-F393 VanDerWaalsContact CB-CZ 3.43Å; F193-F393 HydrophobicContact CD1-CE2 4.26Å; F193-F393 HydrophobicContact CD2-CE2 4.49Å; F193-F393 AromaticContact CG-CE2 3.79Å; F193-F393 HydrophobicContact CG-CE2 3.79Å; F193-F393 HydrophobicContact CG-CZ 4.38Å; A340-F393 HydrophobicContact CB-CE1 4.34Å; A382-F393 CarbonylContact C-O 3.6Å; A382-F393 WeakPolarHBondContact CA-O 3.26Å; A382-F393 WeakPolarHBondContact CB-O 3.47Å; I383-F393 HydrophobicContact CB-CB 4.2Å; I383-F393 HydrophobicContact CB-CD2 4.1Å; I383-F393 HydrophobicContact CD1-CB 4.15Å; I383-F393 HydrophobicContact CD1-CD2 3.64Å; I383-F393 HydrophobicContact CD1-CE2 4.36Å; I383-F393 HydrophobicContact CD1-CG 4.14Å; I383-F393 HydrophobicContact CG1-CB 4.39Å; I383-F393 HydrophobicContact CG1-CD2 4.41Å; I383-F393 PolarHBondContact N-O 2.96Å; I383-F393 PolarHBondContact O-N 3.03Å; T391-F393 VanDerWaalsContact CG2-O 3.31Å; T391-F393 WeakPolarHBondContact CG2-O 3.37Å
394I96.8Very high86.8Confident0 Ų034.4 Ų34.40%021%0.213CC..EExtended strand (participates in β ladder)trans-145.6140.3171-166.5168.6000109.5L38 F52 I53 P55 L275 L380 F381 A382 T391L38-I394 HydrophobicContact CD2-CD1 3.83Å; F52-I394 CarbonylContact C-O 3.58Å; F52-I394 VanDerWaalsContact CA-O 3.26Å; F52-I394 WeakPolarHBondContact CA-O 3.46Å; F52-I394 WeakPolarHBondContact CB-O 3.33Å; I53-I394 HydrophobicContact CD1-CG2 4.46Å; I53-I394 HydrophobicContact CG1-CG2 3.96Å; I53-I394 PolarHBondContact N-O 3.3Å; I53-I394 PolarHBondContact O-N 3.33Å; P55-I394 HydrophobicContact CG-CG2 3.91Å; L275-I394 HydrophobicContact CD2-CD1 3.88Å; L380-I394 HydrophobicContact CD1-CD1 4.07Å; L380-I394 HydrophobicContact CD1-CG1 3.61Å; F381-I394 WeakPolarHBondContact O-CA 3.46Å; A382-I394 HydrophobicContact CB-CG1 4.43Å; T391-I394 HydrophobicContact CG2-CB 3.95Å
395G95.6Very high86.4Confident0 Ų035.9 Ų35.90%022%0.223CC..EExtended strand (participates in β ladder)trans-172.7177.717900000113F51 L380 F381F51-G395 CarbonylContact O-C 3.57Å; F51-G395 WeakPolarHBondContact O-CA 3.28Å; L380-G395 WeakPolarHBondContact CA-O 3.18Å; L380-G395 WeakPolarHBondContact CD1-O 3.37Å; F381-G395 WeakPolarHBondContact CD1-O 3.33Å; F381-G395 PolarHBondContact N-O 2.98Å; F381-G395 PolarHBondContact O-N 3.49Å
396D95.4Very high86.1Confident4 Ų438 Ų382%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-119.5154.9174.440.6-18.2000111.6Y41 S50 F51 L263 F379 F381 Y398Y41-D396 VanDerWaalsContact CE2-OD1 3.28Å; Y41-D396 WeakPolarHBondContact CE2-OD1 3.19Å; Y41-D396 PolarHBondContact OH-OD1 3.49Å; Y41-D396 PolarHBondContact OH-OD2 3.2Å; S50-D396 CarbonylContact C-O 3.53Å; S50-D396 WeakPolarHBondContact CA-O 3.4Å; S50-D396 CarbonylContact O-C 3.53Å; S50-D396 VanDerWaalsContact O-CG 3.28Å; F51-D396 PolarHBondContact O-N 3.4Å; L263-D396 HydrophobicContact CD2-CB 3.69Å; F379-D396 WeakPolarHBondContact O-CA 3.5Å; F381-D396 WeakPolarHBondContact CE1-O 3.23Å; D396-Y398 HydrophobicContact CB-CD2 4.34Å; D396-Y398 HydrophobicContact CB-CE2 3.99Å; D396-Y398 VanDerWaalsContact OD2-CE2 3.28Å; D396-Y398 WeakPolarHBondContact OD2-CE2 3.3Å
397Y95.8Very high86.1Confident9 Ų930.8 Ų30.84%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-121.5120.4178.1-177.7-99.8000109.4F211 P292 F294 P378 F379 A399F211-Y397 HydrophobicContact CD2-CE1 4.12Å; F211-Y397 HydrophobicContact CE1-CD1 4.44Å; F211-Y397 HydrophobicContact CE1-CE1 4.42Å; F211-Y397 AromaticContact CE2-CD1 3.7Å; F211-Y397 HydrophobicContact CE2-CD1 3.7Å; F211-Y397 AromaticContact CE2-CE1 3.67Å; F211-Y397 HydrophobicContact CE2-CE1 3.67Å; F211-Y397 AromaticContact CZ-CD1 3.6Å; F211-Y397 HydrophobicContact CZ-CD1 3.6Å; F211-Y397 AromaticContact CZ-CE1 3.83Å; F211-Y397 HydrophobicContact CZ-CE1 3.83Å; P292-Y397 HydrophobicContact CB-CD1 4.49Å; P292-Y397 HydrophobicContact CB-CE1 3.66Å; P292-Y397 HydrophobicContact CG-CD1 4.27Å; P292-Y397 HydrophobicContact CG-CE1 3.7Å; F294-Y397 HydrophobicContact CB-CD2 4.11Å; F294-Y397 HydrophobicContact CB-CE2 3.34Å; F294-Y397 AromaticContact CD1-CD2 3.82Å; F294-Y397 HydrophobicContact CD1-CD2 3.82Å; F294-Y397 AromaticContact CD1-CE2 3.7Å; F294-Y397 HydrophobicContact CD1-CE2 3.7Å; F294-Y397 HydrophobicContact CD1-CG 4.36Å; F294-Y397 HydrophobicContact CD2-CD2 4.06Å; F294-Y397 HydrophobicContact CD2-CE2 4.16Å; F294-Y397 HydrophobicContact CE1-CD2 4.21Å; F294-Y397 HydrophobicContact CE1-CG 4.44Å; F294-Y397 HydrophobicContact CE2-CD2 4.39Å; F294-Y397 AromaticContact CG-CD2 3.74Å; F294-Y397 HydrophobicContact CG-CD2 3.74Å; F294-Y397 AromaticContact CG-CE2 3.48Å; F294-Y397 HydrophobicContact CG-CE2 3.48Å; F294-Y397 VanDerWaalsContact CG-CE2 3.48Å; F294-Y397 HydrophobicContact CZ-CD2 4.46Å; P378-Y397 VanDerWaalsContact CA-O 3.22Å; P378-Y397 WeakPolarHBondContact CA-O 3.39Å; F379-Y397 HydrophobicContact CD1-CD1 4.32Å; F379-Y397 AromaticContact CE1-CD1 3.42Å; F379-Y397 HydrophobicContact CE1-CD1 3.42Å; F379-Y397 VanDerWaalsContact CE1-CD1 3.42Å; F379-Y397 HydrophobicContact CE1-CE1 4.29Å; F379-Y397 AromaticContact CE1-CG 3.97Å; F379-Y397 HydrophobicContact CE1-CG 3.97Å; F379-Y397 HydrophobicContact CE2-CG 4.43Å; F379-Y397 AromaticContact CZ-CD1 3.62Å; F379-Y397 HydrophobicContact CZ-CD1 3.62Å; F379-Y397 AromaticContact CZ-CG 3.73Å; F379-Y397 HydrophobicContact CZ-CG 3.73Å; F379-Y397 PolarHBondContact O-N 3.3Å; Y397-A399 HydrophobicContact CE1-CB 4.17Å; Y397-A399 VanDerWaalsContact CZ-CA 3.4Å
398Y95.5Very high86.2Confident16 Ų1629.4 Ų29.46%0.06321%0.205CC..  trans-115.419.2175.5-78-97.2000111.8N48 H49 S50 V213 L263 P378 D396N48-Y398 HydrophobicContact CB-CD1 4.19Å; N48-Y398 HydrophobicContact CB-CE1 4.09Å; H49-Y398 WeakPolarHBondContact O-CD2 3.47Å; S50-Y398 PolarHBondContact OG-N 3.35Å; V213-Y398 VanDerWaalsContact CG1-O 3.31Å; V213-Y398 WeakPolarHBondContact CG1-O 3.28Å; V213-Y398 WeakPolarHBondContact CG2-O 3.1Å; V213-Y398 WeakPolarHBondContact O-CD1 3.11Å; L263-Y398 HydrophobicContact CD2-CE2 3.76Å; P378-Y398 HydrophobicContact CB-CD1 3.71Å; P378-Y398 HydrophobicContact CB-CD2 4.36Å; P378-Y398 HydrophobicContact CB-CE1 3.52Å; P378-Y398 HydrophobicContact CB-CE2 4.2Å; P378-Y398 HydrophobicContact CB-CG 4.13Å; P378-Y398 HydrophobicContact CG-CD1 3.29Å; P378-Y398 HydrophobicContact CG-CE1 3.4Å; P378-Y398 HydrophobicContact CG-CG 4.01Å; D396-Y398 HydrophobicContact CB-CD2 4.34Å; D396-Y398 HydrophobicContact CB-CE2 3.99Å; D396-Y398 VanDerWaalsContact OD2-CE2 3.28Å; D396-Y398 WeakPolarHBondContact OD2-CE2 3.3Å
399A92.3Very high86.1Confident7 Ų731.3 Ų31.36%0.05822%0.218CC..  trans64.4161.8-158.800000113.2S50 F211 V213 T219 V221 Y397S50-A399 PolarHBondContact OG-O 3Å; F211-A399 HydrophobicContact CD1-CB 3.74Å; F211-A399 HydrophobicContact CE1-CB 4.07Å; F211-A399 HydrophobicContact CG-CB 4.29Å; V213-A399 HydrophobicContact CG2-CB 4.23Å; T219-A399 HydrophobicContact CG2-CB 3.55Å; V221-A399 HydrophobicContact CG1-CB 3.96Å; Y397-A399 HydrophobicContact CE1-CB 4.17Å; Y397-A399 VanDerWaalsContact CZ-CA 3.4Å
400A76.7Confident85.7Confident74 Ų7428.1 Ų28.161%0.61221%0.214SC*.  trans-65.4141.5171.700000109A402A400-A402 PolarHBondContact O-N 3.11Å
401S57.1Low85.1Confident88 Ų8830.4 Ų30.462%0.61523%0.232SC*.  trans-63.3119.9156.346.20000106.5
402A35.1Very low84.3Confident164 Ų16432.9 Ų32.9100%1.35525%0.251SS*.  trans-510169.200000111.3A400A400-A402 PolarHBondContact O-N 3.11Å

Retrieved 402 of 402 residues in 182.6 ms (Link to these results)

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