A0A087YI20_POEFO Loading...

Glycosyltransferase 8 domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A087YI20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 366 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
1M49.6Very low63Low225 Ų225130.2 Ų130.2100%1.10866%0.659SS**  0126.10-83.2178.617600108.3
2T48.6Very low64.9Low98 Ų98127.1 Ų127.160%0.60165%0.651SS**  trans-76.8138.1-165.143.30000113R4 R5T2-R4 PolarHBondContact O-N 3.37Å; T2-R5 PolarHBondContact O-N 3.2Å
3L50.8Low66.5Low154 Ų154125.7 Ų125.781%0.80665%0.645SS**Hα-helixtrans-47.3-26.6-178.3-134.180.5000114.6V6 N7L3-V6 PolarHBondContact O-N 2.94Å; L3-N7 PolarHBondContact O-N 3.35Å
4R54.5Low68Low227 Ų227124.4 Ų124.486%0.85764%0.639SS**Hα-helixtrans-67.9-31.9176.6-76.1-175.6176-179.4-1.2114.2T2 G8T2-R4 PolarHBondContact O-N 3.37Å; R4-G8 PolarHBondContact O-N 3.22Å
5R55.4Low69.3Low186 Ų186119.3 Ų119.370%0.70262%0.623SS**Hα-helixtrans-72.6-31.8176.9-79.8-172.1176.2-179.6-0.1112T2 G8 V9T2-R5 PolarHBondContact O-N 3.2Å; R5-G8 PolarHBondContact O-N 2.67Å; R5-V9 WeakPolarHBondContact O-CG2 3.3Å; R5-V9 PolarHBondContact O-N 3.09Å; R5-V9 VanDerWaalsContact O-N 3.14Å
6V57.8Low70.6Confident82 Ų82116.1 Ų116.150%0.49761%0.61SS.*Hα-helixtrans-68.1-39.8179.6-178.20000111.1L3 G8 V9 L10L3-V6 PolarHBondContact O-N 2.94Å; V6-G8 PolarHBondContact O-N 2.97Å; V6-V9 PolarHBondContact O-N 3.12Å; V6-L10 HydrophobicContact CG1-CD1 4.17Å; V6-L10 PolarHBondContact O-N 3.4Å; V6-L10 VanDerWaalsContact O-N 3.08Å
7N66.1Low71.6Confident108 Ų108112 Ų11258%0.57860%0.596SS**Hα-helixtrans-66.8-34.5174.3-84.65.6000113.6L3 L11L3-N7 PolarHBondContact O-N 3.35Å; N7-L11 PolarHBondContact O-N 3.25Å; N7-L11 VanDerWaalsContact O-N 3.12Å
8G73.2Confident72.4Confident36 Ų36110.8 Ų110.837%0.37159%0.589SS.*Hα-helixtrans-66.5-44.1175.700000112.4R4 R5 V6 L11 V12R4-G8 PolarHBondContact O-N 3.22Å; R5-G8 PolarHBondContact O-N 2.67Å; V6-G8 PolarHBondContact O-N 2.97Å; G8-L11 PolarHBondContact O-N 3Å; G8-V12 WeakPolarHBondContact O-CG2 3.42Å; G8-V12 PolarHBondContact O-N 2.82Å; G8-V12 VanDerWaalsContact O-N 3.1Å
9V78.1Confident73.1Confident90 Ų90111.3 Ų111.355%0.54559%0.591SS.*Hα-helixtrans-65.5-41178.1174.40000111.4R5 V6 L11 V12 L13R5-V9 WeakPolarHBondContact O-CG2 3.3Å; R5-V9 PolarHBondContact O-N 3.09Å; R5-V9 VanDerWaalsContact O-N 3.14Å; V6-V9 PolarHBondContact O-N 3.12Å; V9-L11 PolarHBondContact O-N 2.74Å; V9-V12 PolarHBondContact O-N 2.77Å; V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 VanDerWaalsContact O-CG 3.32Å; V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.19Å
10L80.1Confident73.9Confident101 Ų101111 Ų11153%0.52959%0.588SS.*Hα-helixtrans-61.8-41.6175.4-95.2152.4000112.8V6 L13 L14V6-L10 HydrophobicContact CG1-CD1 4.17Å; V6-L10 PolarHBondContact O-N 3.4Å; V6-L10 VanDerWaalsContact O-N 3.08Å; L10-L13 PolarHBondContact O-N 3.28Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 PolarHBondContact O-N 3.39Å
11L78.8Confident74.3Confident125 Ų125110.4 Ų110.465%0.65458%0.584SS**Hα-helixtrans-65.3-40176.6-85.7163.1000112.6N7 G8 V9 L14 A15N7-L11 PolarHBondContact O-N 3.25Å; N7-L11 VanDerWaalsContact O-N 3.12Å; G8-L11 PolarHBondContact O-N 3Å; V9-L11 PolarHBondContact O-N 2.74Å; L11-L14 PolarHBondContact O-N 3.27Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.79Å
12V85.3Confident75.9Confident93 Ų93103.2 Ų103.256%0.56455%0.553SS**Hα-helixtrans-65.8-44175.8175.20000110.7G8 V9 L14 A15 V16G8-V12 WeakPolarHBondContact O-CG2 3.42Å; G8-V12 PolarHBondContact O-N 2.82Å; G8-V12 VanDerWaalsContact O-N 3.1Å; V9-V12 PolarHBondContact O-N 2.77Å; V12-L14 VanDerWaalsContact C-N 3.29Å; V12-L14 PolarHBondContact O-N 3.45Å; V12-A15 PolarHBondContact O-N 2.91Å; V12-V16 HydrophobicContact CG1-CG2 4.35Å; V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.38Å; V12-V16 PolarHBondContact O-N 3.36Å
13L86.9Confident77.6Confident109 Ų109104 Ų10457%0.57155%0.55SS*.Hα-helixtrans-62.2-37.8176.8-71.7171000112.1V9 L10 V16 A17V9-L13 HydrophobicContact CG1-CD1 3.98Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 VanDerWaalsContact O-CG 3.32Å; V9-L13 WeakPolarHBondContact O-CG 3.42Å; V9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.28Å; L13-V16 PolarHBondContact O-N 2.89Å; L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.11Å
14L87.4Confident78.8Confident108 Ų108105 Ų10557%0.56554%0.543SS*.Hα-helixtrans-68.3-40.8176.8-152.5119000111.8L10 L11 V12 A17 I18L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 3.27Å; V12-L14 VanDerWaalsContact C-N 3.29Å; V12-L14 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 3.41Å; L14-I18 HydrophobicContact CD2-CD1 3.96Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.97Å
15A86.4Confident79.6Confident48 Ų4899 Ų9940%0.39753%0.527SS..Hα-helixtrans-64.2-41.7174.700000112L11 V12 I18 L19L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 2.79Å; V12-A15 PolarHBondContact O-N 2.91Å; A15-I18 PolarHBondContact O-N 2.84Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.25Å
16V89.9Confident80.5Confident68 Ų6894.9 Ų94.941%0.41252%0.519SS..Hα-helixtrans-63.8-42.9175.1171.20000110.8V12 L13 I18 L19 I20V12-V16 HydrophobicContact CG1-CG2 4.35Å; V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.38Å; V12-V16 PolarHBondContact O-N 3.36Å; L13-V16 PolarHBondContact O-N 2.89Å; V16-I18 PolarHBondContact O-N 3.22Å; V16-L19 PolarHBondContact O-N 3.46Å; V16-I20 HydrophobicContact CG1-CD1 3.79Å; V16-I20 HydrophobicContact CG1-CG1 4.4Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 2.97Å; V16-I20 PolarHBondContact O-N 2.97Å
17A87.6Confident81.1Confident46 Ų4694.8 Ų94.838%0.3852%0.515SS..Hα-helixtrans-61.5-42.3176.300000112.2L13 L14 I20 I21L13-A17 WeakPolarHBondContact O-CB 3.32Å; L13-A17 PolarHBondContact O-N 3.11Å; L14-A17 PolarHBondContact O-N 3.41Å; A17-I20 PolarHBondContact O-N 3.4Å; A17-I21 VanDerWaalsContact O-CG1 3.27Å; A17-I21 WeakPolarHBondContact O-CG1 3.34Å; A17-I21 PolarHBondContact O-N 3.22Å
18I87Confident81.2Confident91 Ų9193.9 Ų93.947%0.46751%0.511SS..Hα-helixtrans-62.8-44.5175.5-68.8166.3000110.7L14 A15 V16 I20 I21 V22L14-I18 HydrophobicContact CD2-CD1 3.96Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.3Å; L14-I18 PolarHBondContact O-N 2.97Å; A15-I18 PolarHBondContact O-N 2.84Å; V16-I18 PolarHBondContact O-N 3.22Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.75Å; I18-I21 PolarHBondContact O-N 3.36Å; I18-V22 HydrophobicContact CG2-CG2 4.34Å; I18-V22 WeakPolarHBondContact O-CG2 3.25Å; I18-V22 PolarHBondContact O-N 3.23Å
19L85.8Confident80.3Confident120 Ų12097 Ų9763%0.62852%0.518SS*.Hα-helixtrans-62.2-40177.7-76.5167.8000112.2A15 V16 V22 H23A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.25Å; V16-L19 PolarHBondContact O-N 3.46Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-H23 VanDerWaalsContact O-CB 3.26Å; L19-H23 WeakPolarHBondContact O-CB 3.47Å; L19-H23 PolarHBondContact O-N 2.95Å
20I88Confident79.6Confident104 Ų10494.7 Ų94.753%0.53351%0.506SS..Hα-helixtrans-64-42.5175.6-68.1166.8000110.7V16 A17 I18 H23 R24V16-I20 HydrophobicContact CG1-CD1 3.79Å; V16-I20 HydrophobicContact CG1-CG1 4.4Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 2.97Å; V16-I20 PolarHBondContact O-N 2.97Å; A17-I20 PolarHBondContact O-N 3.4Å; I18-I20 VanDerWaalsContact C-N 3.33Å; I18-I20 PolarHBondContact O-N 2.75Å; I20-H23 PolarHBondContact O-N 2.73Å; I20-R24 VanDerWaalsContact O-CB 3.29Å; I20-R24 WeakPolarHBondContact O-CB 3.34Å; I20-R24 PolarHBondContact O-N 2.95Å
21I83.6Confident78.7Confident99 Ų9994.5 Ų94.551%0.50851%0.506SS..Hα-helixtrans-65.4-44.4178.3-67.7164.4000110.9A17 I18 R24 N25A17-I21 VanDerWaalsContact O-CG1 3.27Å; A17-I21 WeakPolarHBondContact O-CG1 3.34Å; A17-I21 PolarHBondContact O-N 3.22Å; I18-I21 PolarHBondContact O-N 3.36Å; I21-R24 PolarHBondContact O-N 3.14Å; I21-N25 WeakPolarHBondContact O-CB 3.34Å; I21-N25 PolarHBondContact O-N 3.12Å
22V82.8Confident77.5Confident74 Ų7494 Ų9445%0.44850%0.498SS..Hα-helixtrans-63.2-45.1176.9171.80000110.7I18 L19 R24 N25 L26I18-V22 HydrophobicContact CG2-CG2 4.34Å; I18-V22 WeakPolarHBondContact O-CG2 3.25Å; I18-V22 PolarHBondContact O-N 3.23Å; L19-V22 PolarHBondContact O-N 2.9Å; V22-R24 PolarHBondContact O-N 3.37Å; V22-N25 PolarHBondContact O-N 3.15Å; V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CB 3.23Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 2.97Å
23H83.6Confident75.9Confident116 Ų11694.4 Ų94.454%0.53750%0.497SS..Hα-helixtrans-62.5-42.7178.1-17361.1000111.8L19 I20 L26 L27L19-H23 VanDerWaalsContact O-CB 3.26Å; L19-H23 WeakPolarHBondContact O-CB 3.47Å; L19-H23 PolarHBondContact O-N 2.95Å; I20-H23 PolarHBondContact O-N 2.73Å; H23-L26 PolarHBondContact O-N 3.3Å; H23-L27 WeakPolarHBondContact O-CG 3.5Å; H23-L27 PolarHBondContact O-N 3.2Å
24R76.6Confident74.3Confident175 Ų17594.7 Ų94.766%0.6650%0.499SS*.Hα-helixtrans-68-35.4178.1-159.8176178.2-165.3-1.4112.5I20 I21 V22 N28I20-R24 VanDerWaalsContact O-CB 3.29Å; I20-R24 WeakPolarHBondContact O-CB 3.34Å; I20-R24 PolarHBondContact O-N 2.95Å; I21-R24 PolarHBondContact O-N 3.14Å; V22-R24 PolarHBondContact O-N 3.37Å; R24-N28 WeakPolarHBondContact O-CB 3.47Å; R24-N28 VanDerWaalsContact O-CG 3.29Å; R24-N28 PolarHBondContact O-N 3.41Å
25N72.3Confident72.7Confident99 Ų99100.3 Ų100.353%0.52951%0.513SS..Hα-helixtrans-69.9-36.2172.9-81.4-13.7000112.5I21 V22 N28 L29I21-N25 WeakPolarHBondContact O-CB 3.34Å; I21-N25 PolarHBondContact O-N 3.12Å; V22-N25 PolarHBondContact O-N 3.15Å; N25-N28 PolarHBondContact O-N 3.22Å; N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.19Å
26L73.5Confident70.9Confident101 Ų101103.6 Ų103.653%0.52952%0.52SS..Hα-helixtrans-67.2-39.8173.8-75.4167.1000111.8V22 H23 L29 S30V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.43Å; V22-L26 WeakPolarHBondContact O-CB 3.23Å; V22-L26 WeakPolarHBondContact O-CG 3.49Å; V22-L26 PolarHBondContact O-N 2.97Å; H23-L26 PolarHBondContact O-N 3.3Å; L26-L29 WeakPolarHBondContact O-CB 3.28Å; L26-L29 PolarHBondContact O-N 3.4Å; L26-S30 PolarHBondContact O-N 3.11Å
27L71.2Confident68.8Low79 Ų79106.7 Ų106.741%0.41453%0.53SS..Hα-helixtrans-65.9-40.5173.8-73.4171.2000112.1H23 L29 S30 D31H23-L27 WeakPolarHBondContact O-CG 3.5Å; H23-L27 PolarHBondContact O-N 3.2Å; L27-L29 VanDerWaalsContact C-N 3.25Å; L27-L29 PolarHBondContact O-N 3.12Å; L27-S30 WeakPolarHBondContact CA-OG 3.35Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 3.11Å; L27-D31 WeakPolarHBondContact O-CB 3.49Å; L27-D31 PolarHBondContact O-N 3.14Å
28N66.6Low66.5Low90 Ų90109.9 Ų109.948%0.48155%0.546SS..Hα-helixtrans-64.8-31.9173.3-75.7-13.9000112.1R24 N25 F32R24-N28 WeakPolarHBondContact O-CB 3.47Å; R24-N28 VanDerWaalsContact O-CG 3.29Å; R24-N28 PolarHBondContact O-N 3.41Å; N25-N28 PolarHBondContact O-N 3.22Å; N28-F32 WeakPolarHBondContact O-CB 3.32Å; N28-F32 PolarHBondContact O-N 3.11Å
29L55.7Low64.5Low100 Ų100113.1 Ų113.152%0.52457%0.565SS.*Hα-helixtrans-71.9-39.3175-168.472.4000111.3N25 L26 L27 F32 L33N25-L29 WeakPolarHBondContact O-CB 3.36Å; N25-L29 PolarHBondContact O-N 3.19Å; L26-L29 WeakPolarHBondContact O-CB 3.28Å; L26-L29 PolarHBondContact O-N 3.4Å; L27-L29 VanDerWaalsContact C-N 3.25Å; L27-L29 PolarHBondContact O-N 3.12Å; L29-F32 PolarHBondContact O-N 3.31Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.02Å
30S62.5Low62.5Low43 Ų43111.9 Ų111.930%0.30157%0.571SS.*Hα-helixtrans-66.4-43.4173.461.50000111.8L26 L27 F32 L33 D34L26-S30 PolarHBondContact O-N 3.11Å; L27-S30 WeakPolarHBondContact CA-OG 3.35Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-S30 PolarHBondContact O-OG 3.11Å; S30-F32 PolarHBondContact O-N 2.92Å; S30-L33 PolarHBondContact O-N 2.92Å; S30-L33 VanDerWaalsContact O-N 3.13Å; S30-D34 WeakPolarHBondContact O-CB 3.34Å; S30-D34 PolarHBondContact O-N 2.98Å
31D61.6Low60.4Low96 Ų96110.1 Ų110.151%0.51358%0.579SS.*Hα-helixtrans-63.3-30.3175.7-81.3-0.1000112.2L27 R35L27-D31 WeakPolarHBondContact O-CB 3.49Å; L27-D31 PolarHBondContact O-N 3.14Å; D31-R35 WeakPolarHBondContact O-CB 3.41Å; D31-R35 PolarHBondContact O-N 3.33Å; D31-R35 VanDerWaalsContact O-N 3.15Å
32F53.9Low58.2Low115 Ų115113.8 Ų113.850%0.50459%0.594SS.*Hα-helixtrans-70.5-43.7173-174.7-91000111.7N28 L29 S30 R35 E36N28-F32 WeakPolarHBondContact O-CB 3.32Å; N28-F32 PolarHBondContact O-N 3.11Å; L29-F32 PolarHBondContact O-N 3.31Å; S30-F32 PolarHBondContact O-N 2.92Å; F32-R35 PolarHBondContact O-N 3.13Å; F32-E36 HydrophobicContact CE1-CG 4.42Å; F32-E36 WeakPolarHBondContact CE1-OE2 3.35Å; F32-E36 PolarHBondContact O-N 3.12Å
33L51.4Low55.9Low102 Ų102117.7 Ų117.753%0.53461%0.611SS.*Hα-helixtrans-66.8-38.4177.3-69.3169.6000112.2L29 S30 R35 E36 H37L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.35Å; L29-L33 PolarHBondContact O-N 3.02Å; S30-L33 PolarHBondContact O-N 2.92Å; S30-L33 VanDerWaalsContact O-N 3.13Å; L33-R35 VanDerWaalsContact C-N 3.35Å; L33-E36 PolarHBondContact O-N 2.98Å; L33-H37 PolarHBondContact O-N 3.39Å
34D52.6Low53.5Low115 Ų115118.6 Ų118.662%0.61562%0.619SS**Hα-helixtrans-72.5-27177.4-75.7-18.4000112.3S30S30-D34 WeakPolarHBondContact O-CB 3.34Å; S30-D34 PolarHBondContact O-N 2.98Å
35R53.3Low51.4Low226 Ų226116.4 Ų116.485%0.85363%0.627SS**Hα-helixtrans-77-27.6174-93.2-179.6134.3179.4-3.5114.1D31 F32 L33D31-R35 WeakPolarHBondContact O-CB 3.41Å; D31-R35 PolarHBondContact O-N 3.33Å; D31-R35 VanDerWaalsContact O-N 3.15Å; F32-R35 PolarHBondContact O-N 3.13Å; L33-R35 VanDerWaalsContact C-N 3.35Å
36E48.4Very low49.7Very low117 Ų117120.8 Ų120.855%0.54764%0.642SS.*Hα-helixtrans-80.4-18.4177.2-84.2-170.5153.800113.2F32 L33F32-E36 HydrophobicContact CE1-CG 4.42Å; F32-E36 WeakPolarHBondContact CE1-OE2 3.35Å; F32-E36 PolarHBondContact O-N 3.12Å; L33-E36 PolarHBondContact O-N 2.98Å
37H47Very low47.7Very low133 Ų133124 Ų12462%0.61665%0.654SS**  trans-145.785.8179.5-71.6-57.9000113.8L33 D39 A40L33-H37 PolarHBondContact O-N 3.39Å; H37-D39 PolarHBondContact O-N 2.89Å; H37-A40 HydrophobicContact CB-CB 4.39Å
38P39Very low45.8Very low113 Ų113124.5 Ų124.573%0.73467%0.67SS**THydrogen-bonded Turntrans-73.8-7-179.617.3-12.3000114.8
39D45Very low44.4Very low159 Ų159129.1 Ų129.185%0.8569%0.688SS**THydrogen-bonded Turntrans-125.538.1-178.4-73.1-36.6000113.3H37 G41H37-D39 PolarHBondContact O-N 2.89Å; D39-G41 PolarHBondContact O-N 3.02Å; D39-G41 VanDerWaalsContact O-N 3.09Å
40A43.1Very low43.5Very low93 Ų93132.5 Ų132.577%0.76971%0.706SS**  trans-85.653.4169.700000111.4H37H37-A40 HydrophobicContact CB-CB 4.39Å
41G44.1Very low42Very low67 Ų67135.3 Ų135.369%0.69173%0.726SS**  trans-125.538.3-178.700000112.7D39D39-G41 PolarHBondContact O-N 3.02Å; D39-G41 VanDerWaalsContact O-N 3.09Å
42Q37.3Very low41Very low177 Ų177137.4 Ų137.483%0.82775%0.745SS**SBendtrans-167.1114.8167.2-112.9163600111.2
43I34.7Very low40.3Very low155 Ų155135 Ų13580%0.79575%0.752SS**  trans60103.9157.1-47.9174.6000115.6
44L33.2Very low39.4Very low136 Ų136136.5 Ų136.571%0.71277%0.765SS**  trans-52.4129166-70.4165.4000110.3F46L44-F46 PolarHBondContact O-N 3.36Å
45P32.7Very low38.7Very low128 Ų128134.7 Ų134.783%0.83177%0.774SS**THydrogen-bonded Turntrans-715.9-176.3-16.529.8000115.4
46F36.6Very low38Very low191 Ų191132.3 Ų132.384%0.83877%0.773SS**THydrogen-bonded Turntrans-1124.9-164.5-147.7-98.6000115.4L44L44-F46 PolarHBondContact O-N 3.36Å
47E32.4Very low37.6Very low168 Ų168136.3 Ų136.379%0.78579%0.788SS**SBendtrans-103.3-1.4177.3-74.1-174.3154.100114.3
48A31.2Very low37.8Very low90 Ų90135.3 Ų135.374%0.74479%0.785SS**SBendtrans-94.2-1.6-174.700000116.1
49E37.4Very low38.4Very low187 Ų187137.6 Ų137.687%0.87479%0.786SS**  trans-104.513.4-178.2-72.9-168.4165.500115.2S51E49-S51 PolarHBondContact O-N 3.01Å
50L36.9Very low39.7Very low172 Ų172134.3 Ų134.390%0.90176%0.762SS**  trans-99.463.5167.2-74.1163.4000110.6
51S29.6Very low40.2Very low101 Ų101137.6 Ų137.671%0.70676%0.758SS**  trans-125.6121.8158.8-105.50000109.2E49 G53E49-S51 PolarHBondContact O-N 3.01Å; S51-G53 PolarHBondContact O-N 3.33Å
52P41.4Very low41.3Very low141 Ų141137.2 Ų137.292%0.91676%0.755SS**SBendtrans-75.897.617630.4-29.2000108.5
53G39.4Very low43.5Very low64 Ų64136 Ų13666%0.6675%0.754SS**  trans125.478.2161.300000115.6S51S51-G53 PolarHBondContact O-N 3.33Å
54V32.7Very low46.3Very low133 Ų133133.2 Ų133.281%0.80674%0.738SS**  -154.8101.7128.71770000105.5Q56V54-Q56 PolarHBondContact O-N 3.36Å
55G37.4Very low49.3Very low78 Ų78127 Ų12780%0.80471%0.705SS**  trans-69.995.517100000109.4K57G55-K57 PolarHBondContact O-N 3.03Å; G55-K57 VanDerWaalsContact O-N 3.09Å
56Q38Very low52.4Low176 Ų176121.4 Ų121.482%0.82267%0.669SS**  trans-61.9112.2160.8-79.4-169.6-6.800107V54 M58V54-Q56 PolarHBondContact O-N 3.36Å; Q56-M58 PolarHBondContact O-N 3.46Å
57K41.1Very low55.4Low201 Ų201112.3 Ų112.387%0.87463%0.629SS**  trans-63.691.9165.7-94.2-179.2172.4179.20107G55 E59G55-K57 PolarHBondContact O-N 3.03Å; G55-K57 VanDerWaalsContact O-N 3.09Å; K57-E59 PolarHBondContact O-N 3.2Å; K57-E59 VanDerWaalsContact O-N 3.16Å
58M49.8Very low58.6Low111 Ų111104.3 Ų104.355%0.54759%0.592SS.*  trans-59.5117166.3-117.8-17867.200107.6Q56 R60 K91Q56-M58 PolarHBondContact O-N 3.46Å; M58-R60 PolarHBondContact O-N 2.96Å; M58-R60 VanDerWaalsContact O-N 3.11Å; M58-K91 HydrophobicContact CE-CB 3.51Å; M58-K91 HydrophobicContact CE-CD 3.81Å; M58-K91 HydrophobicContact CE-CG 3.41Å; M58-K91 VanDerWaalsContact CE-CG 3.41Å
59E51.6Low61.8Low162 Ų162100.1 Ų100.176%0.75756%0.557SS**  trans-62.8112.5170.3-80.9-171.4155.700108.6K57 K61K57-E59 PolarHBondContact O-N 3.2Å; K57-E59 VanDerWaalsContact O-N 3.16Å; E59-K61 PolarHBondContact O-N 3.42Å
60R72.2Confident64.6Low90 Ų9091.8 Ų91.834%0.3452%0.519SS..  trans-73.2118.3175.4-66.3176.8174.9172-1.3108.9M58 S87 A92 N93M58-R60 PolarHBondContact O-N 2.96Å; M58-R60 VanDerWaalsContact O-N 3.11Å; R60-S87 PolarHBondContact NH2-O 3.24Å; R60-A92 WeakPolarHBondContact CD-O 3.28Å; R60-N93 WeakPolarHBondContact CB-OD1 3.47Å; R60-N93 PolarHBondContact O-ND2 3.15Å
61K55.5Low67.5Low161 Ų16183.6 Ų83.670%0.748%0.476SS*.  trans-105.9151.4-179.1-67-177.9179.3-179.90110.4E59E59-K61 PolarHBondContact O-N 3.42Å
62G66.8Low70.6Confident60 Ų6079.9 Ų79.962%0.61945%0.45SS*.SBendtrans96.1178.7172.900000115.4N93G62-N93 PolarHBondContact O-ND2 3.1Å; G62-N93 VanDerWaalsContact O-ND2 3.16Å
63D82.9Confident73.2Confident150 Ų15076.1 Ų76.180%0.80242%0.42SS*.SBendtrans-60.3154-179-66.2-30000112.2I65D63-I65 PolarHBondContact O-N 3.2Å
64E92.7Very high75.7Confident97 Ų9777.5 Ų77.545%0.45341%0.412SS..EExtended strand (participates in β ladder)trans-74.4124.9178.9-65.8-173.5148.100110.9P66 N93 V95 K121E64-P66 VanDerWaalsContact O-CD 3.28Å; E64-P66 WeakPolarHBondContact O-CD 3.45Å; E64-N93 CarbonylContact C-O 3.53Å; E64-N93 VanDerWaalsContact CA-O 3.27Å; E64-N93 WeakPolarHBondContact CA-O 3.37Å; E64-N93 HydrophobicContact CG-CB 4.16Å; E64-V95 HydrophobicContact CB-CG2 3.87Å; E64-V95 VanDerWaalsContact CD-CG2 3.42Å; E64-V95 HydrophobicContact CG-CG2 3.96Å; E64-V95 WeakPolarHBondContact OE2-CG2 3.32Å; E64-K121 WeakPolarHBondContact OE1-CD 3.33Å; E64-K121 IonicContact OE1-NZ 3.4Å; E64-K121 PolarHBondContact OE1-NZ 3.17Å
65I97.4Very high78.7Confident5 Ų573.3 Ų73.33%0.02638%0.382CS..EExtended strand (participates in β ladder)trans-84.2112.6173.4-60.5-177.2000108.6D63 V67 A92 N93 V95 I167 I179 Q180 Y183D63-I65 PolarHBondContact O-N 3.2Å; I65-V67 HydrophobicContact CG2-CG2 4.15Å; I65-A92 HydrophobicContact CD1-CB 3.46Å; I65-A92 VanDerWaalsContact CD1-CB 3.46Å; I65-A92 HydrophobicContact CG1-CB 4.11Å; I65-N93 PolarHBondContact N-O 3.03Å; I65-V95 PolarHBondContact O-N 2.91Å; I65-I167 HydrophobicContact CG2-CD1 4.16Å; I65-I179 HydrophobicContact CD1-CG2 4.41Å; I65-Q180 HydrophobicContact CD1-CB 3.84Å; I65-Q180 HydrophobicContact CD1-CG 4.15Å; I65-Y183 HydrophobicContact CD1-CD1 4.27Å; I65-Y183 HydrophobicContact CD1-CG 4.17Å; I65-Y183 HydrophobicContact CG1-CD1 4.08Å; I65-Y183 HydrophobicContact CG1-CE1 4.48Å; I65-Y183 HydrophobicContact CG1-CG 4.13Å; I65-Y183 HydrophobicContact CG2-CD2 3.68Å; I65-Y183 HydrophobicContact CG2-CE2 4.22Å; I65-Y183 HydrophobicContact CG2-CG 3.89Å
66P98.3Very high81.5Confident12 Ų1269.6 Ų69.68%0.07834%0.343CS..EExtended strand (participates in β ladder)trans-84.2123179.730.9-26.2000110E64 I160 V163 K165 A166 I167E64-P66 VanDerWaalsContact O-CD 3.28Å; E64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-I160 HydrophobicContact CB-CD1 4.29Å; P66-I160 HydrophobicContact CB-CG2 3.91Å; P66-I160 HydrophobicContact CG-CG2 4.29Å; P66-V163 HydrophobicContact CG-CG2 3.94Å; P66-K165 WeakPolarHBondContact CG-O 3.28Å; P66-A166 HydrophobicContact CB-CB 4.36Å; P66-A166 HydrophobicContact CG-CB 3.88Å; P66-A166 WeakPolarHBondContact O-CA 3.25Å; P66-I167 PolarHBondContact O-N 2.74Å
67V98.8Very high84.3Confident0 Ų061.2 Ų61.20%030%0.304CS..EExtended strand (participates in β ladder)trans-119.2121.7179.9179.70000109.1I65 V94 V95 F96 T97 I167 L169 I179I65-V67 HydrophobicContact CG2-CG2 4.15Å; V67-V94 HydrophobicContact CB-CG1 4.18Å; V67-V94 HydrophobicContact CG2-CG1 3.64Å; V67-V95 PolarHBondContact N-O 2.76Å; V67-F96 HydrophobicContact CB-CD1 4.08Å; V67-F96 HydrophobicContact CB-CE1 4.25Å; V67-F96 HydrophobicContact CG1-CD1 4.06Å; V67-F96 HydrophobicContact CG1-CE1 4.06Å; V67-F96 CarbonylContact O-C 3.58Å; V67-F96 VanDerWaalsContact O-CA 3.31Å; V67-F96 WeakPolarHBondContact O-CA 3.37Å; V67-T97 PolarHBondContact O-N 3.42Å; V67-I167 CarbonylContact C-O 3.59Å; V67-I167 WeakPolarHBondContact CA-O 3.07Å; V67-I167 HydrophobicContact CG2-CB 4.38Å; V67-L169 HydrophobicContact CG1-CD1 3.85Å; V67-L169 HydrophobicContact CG1-CG 4.15Å; V67-I179 HydrophobicContact CG2-CD1 3.93Å
68L98.8Very high87Confident0 Ų051.6 Ų51.60%026%0.263CS..EExtended strand (participates in β ladder)trans-93.3131.4171.6-162.9145.2000110.2T70 T97 V99 L156 Y159 I160 I167 Y168 L169L68-T70 HydrophobicContact CD2-CG2 4.28Å; L68-T97 WeakPolarHBondContact CA-O 3.46Å; L68-T97 HydrophobicContact CD1-CG2 4.25Å; L68-T97 HydrophobicContact CG-CG2 4.47Å; L68-V99 HydrophobicContact CD1-CG2 3.88Å; L68-V99 HydrophobicContact CD2-CG2 4Å; L68-V99 HydrophobicContact CG-CG2 4.05Å; L68-L156 HydrophobicContact CB-CD2 3.8Å; L68-L156 HydrophobicContact CD1-CD2 3.78Å; L68-L156 HydrophobicContact CG-CD2 4.25Å; L68-Y159 HydrophobicContact CD1-CD2 3.62Å; L68-Y159 HydrophobicContact CD1-CG 3.97Å; L68-I160 HydrophobicContact CB-CD1 3.87Å; L68-I160 HydrophobicContact CD1-CD1 4.24Å; L68-I160 HydrophobicContact CD1-CG1 4.44Å; L68-I167 PolarHBondContact N-O 3.35Å; L68-Y168 HydrophobicContact CB-CD2 4.31Å; L68-Y168 HydrophobicContact CD2-CD2 3.54Å; L68-Y168 HydrophobicContact CD2-CE2 3.69Å; L68-Y168 HydrophobicContact CG-CD2 4.48Å; L68-L169 PolarHBondContact O-N 3.15Å
69I98.4Very high89.3Confident2 Ų246.3 Ų46.31%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-134.1148.5170.7-169.6163.2000109.2V79 A82 T97 I98 V99 D171I69-V79 HydrophobicContact CD1-CG1 4.01Å; I69-V79 HydrophobicContact CG1-CG1 4.32Å; I69-V79 HydrophobicContact CG2-CG1 4.3Å; I69-A82 HydrophobicContact CD1-CB 3.54Å; I69-T97 PolarHBondContact N-O 3.1Å; I69-I98 HydrophobicContact CG2-CB 4.4Å; I69-I98 HydrophobicContact CG2-CG1 3.99Å; I69-I98 HydrophobicContact CG2-CG2 4.28Å; I69-I98 WeakPolarHBondContact O-CA 3.24Å; I69-V99 PolarHBondContact O-N 2.89Å; I69-D171 HydrophobicContact CD1-CB 4.41Å; I69-D171 HydrophobicContact CG1-CB 4.41Å
70T97.7Very high91.6Very high12 Ų1238.6 Ų38.67%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-100.2145.9174.767.80000110.1L68 V79 V99 A152 Y168L68-T70 HydrophobicContact CD2-CG2 4.28Å; T70-V79 WeakPolarHBondContact O-CG2 3.31Å; T70-V99 CarbonylContact C-O 3.45Å; T70-V99 VanDerWaalsContact CA-O 3.26Å; T70-V99 WeakPolarHBondContact CA-O 3.48Å; T70-A152 HydrophobicContact CG2-CB 3.71Å; T70-Y168 HydrophobicContact CG2-CE2 4.12Å
71A97Very high92.8Very high0 Ų034.3 Ų34.30%018%0.184CC..EExtended strand (participates in β ladder)trans-130.8113.1-179.200000110.9L76 V79 I98 V99 T100 L108 L149A71-L76 HydrophobicContact CB-CD2 4.05Å; A71-V79 HydrophobicContact CB-CB 4.46Å; A71-V79 HydrophobicContact CB-CG1 4.08Å; A71-V79 HydrophobicContact CB-CG2 3.77Å; A71-I98 HydrophobicContact CB-CG2 3.63Å; A71-V99 PolarHBondContact N-O 3.29Å; A71-T100 WeakPolarHBondContact O-CB 3.3Å; A71-T100 PolarHBondContact O-OG1 3.2Å; A71-L108 HydrophobicContact CB-CD2 4.41Å; A71-L149 VanDerWaalsContact O-CD1 3.29Å; A71-L149 WeakPolarHBondContact O-CD1 3.49Å
72S94.8Very high94.9Very high22 Ų2226.7 Ų26.715%0.15415%0.151CC..  trans-103147.4167.666.10000110.3D74 R75 L76S72-D74 VanDerWaalsContact C-N 3.28Å; S72-D74 VanDerWaalsContact CB-OD1 3.22Å; S72-D74 WeakPolarHBondContact CB-OD1 3.41Å; S72-D74 PolarHBondContact O-N 2.97Å; S72-D74 PolarHBondContact OG-OD1 2.7Å; S72-R75 CarbonylContact O-C 3.44Å; S72-R75 PolarHBondContact O-N 3.17Å; S72-R75 WeakPolarHBondContact OG-CB 3.43Å; S72-L76 PolarHBondContact O-N 2.86Å; S72-L76 VanDerWaalsContact O-N 3.1Å
73E95Very high96.4Very high62 Ų6223.9 Ų23.929%0.2912%0.122SC..G310 helixtrans-52.5-44.4-177.4-174.865-172.100112.8R75 L76 T104 H107E73-R75 PolarHBondContact O-N 3.19Å; E73-L76 WeakPolarHBondContact OE2-CD1 3.46Å; E73-T104 HydrophobicContact CB-CG2 4.48Å; E73-T104 PolarHBondContact N-OG1 2.81Å; E73-T104 WeakPolarHBondContact OE2-CA 3.14Å; E73-H107 IonicContact OE1-CE1 3.99Å; E73-H107 IonicContact OE1-CG 3.9Å; E73-H107 IonicContact OE1-ND1 3.64Å; E73-H107 PolarHBondContact OE1-ND1 2.82Å; E73-H107 IonicContact OE2-ND1 3.74Å
74D93.2Very high97.1Very high93 Ų9317 Ų1750%0.4979%0.085SC..G310 helixtrans-68.8-12.3-179.766.6-36000114.3S72 K147S72-D74 VanDerWaalsContact C-N 3.28Å; S72-D74 VanDerWaalsContact CB-OD1 3.22Å; S72-D74 WeakPolarHBondContact CB-OD1 3.41Å; S72-D74 PolarHBondContact O-N 2.97Å; S72-D74 PolarHBondContact OG-OD1 2.7Å; D74-K147 IonicContact OD2-NZ 3.87Å
75R94.7Very high97.4Very high45 Ų4512.4 Ų12.417%0.176%0.064CC..G310 helixtrans-12613.1-175.6-5917564.5156.49.9113.1S72 E73 G77 A78 V79 D171 D172 W336S72-R75 CarbonylContact O-C 3.44Å; S72-R75 PolarHBondContact O-N 3.17Å; S72-R75 WeakPolarHBondContact OG-CB 3.43Å; E73-R75 PolarHBondContact O-N 3.19Å; R75-G77 VanDerWaalsContact C-N 3.26Å; R75-G77 PolarHBondContact O-N 3.41Å; R75-G77 VanDerWaalsContact O-N 3.16Å; R75-A78 HydrophobicContact CB-CB 4.47Å; R75-A78 WeakPolarHBondContact O-CA 3.42Å; R75-A78 WeakPolarHBondContact O-CB 3.37Å; R75-A78 PolarHBondContact O-N 3.05Å; R75-V79 PolarHBondContact O-N 3.37Å; R75-D171 WeakPolarHBondContact CB-OD2 3.47Å; R75-D171 WeakPolarHBondContact CD-OD2 3.46Å; R75-D171 IonicContact CZ-OD1 3.58Å; R75-D171 IonicContact CZ-OD2 3.62Å; R75-D171 VanDerWaalsContact CZ-OD2 3.3Å; R75-D171 IonicContact NE-OD1 2.96Å; R75-D171 PolarHBondContact NE-OD1 3.23Å; R75-D171 IonicContact NE-OD2 3.47Å; R75-D171 PolarHBondContact NE-OD2 3.41Å; R75-D171 IonicContact NH1-OD1 3.05Å; R75-D171 IonicContact NH2-OD1 3.3Å; R75-D171 PolarHBondContact NH2-OD1 2.93Å; R75-D171 IonicContact NH2-OD2 2.66Å; R75-D172 VanDerWaalsContact NH2-CG 3.29Å; R75-D172 IonicContact NH2-OD1 2.7Å; R75-D172 IonicContact NH2-OD2 3.54Å; R75-D172 PolarHBondContact NH2-OD2 3.39Å; R75-W336 HydrophobicContact CG-CZ2 4.47Å
76L96.6Very high97.5Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-54.5-38.9-177.1-82.5-179.3000113.8A71 S72 E73 A78 V79 I80 T104 H107 L108 W111A71-L76 HydrophobicContact CB-CD2 4.05Å; S72-L76 PolarHBondContact O-N 2.86Å; S72-L76 VanDerWaalsContact O-N 3.1Å; E73-L76 WeakPolarHBondContact OE2-CD1 3.46Å; L76-A78 PolarHBondContact O-N 3.43Å; L76-V79 WeakPolarHBondContact O-CB 2.94Å; L76-V79 PolarHBondContact O-N 2.79Å; L76-V79 VanDerWaalsContact O-N 3.17Å; L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 2.75Å; L76-T104 HydrophobicContact CD1-CG2 3.97Å; L76-T104 HydrophobicContact CD2-CG2 3.64Å; L76-T104 HydrophobicContact CG-CG2 3.97Å; L76-H107 HydrophobicContact CD1-CB 3.92Å; L76-H107 VanDerWaalsContact CD1-ND1 3.31Å; L76-H107 WeakPolarHBondContact CD1-ND1 3.43Å; L76-L108 HydrophobicContact CD2-CB 4.14Å; L76-L108 HydrophobicContact CD2-CD1 3.95Å; L76-W111 HydrophobicContact CB-CE3 4.09Å; L76-W111 HydrophobicContact CB-CZ3 3.7Å
77G97.6Very high97.4Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-60.7-31.8175.800000113.7R75 V81 W111R75-G77 VanDerWaalsContact C-N 3.26Å; R75-G77 PolarHBondContact O-N 3.41Å; R75-G77 VanDerWaalsContact O-N 3.16Å; G77-V81 WeakPolarHBondContact O-CG2 3.32Å; G77-V81 PolarHBondContact O-N 2.84Å; G77-W111 VanDerWaalsContact CA-CH2 3.46Å
78A97.8Very high97.3Very high0 Ų019.5 Ų19.50%09%0.09CC..Hα-helixtrans-67.6-45.817500000111.4R75 L76 I80 V81 A82 D171 W336R75-A78 HydrophobicContact CB-CB 4.47Å; R75-A78 WeakPolarHBondContact O-CA 3.42Å; R75-A78 WeakPolarHBondContact O-CB 3.37Å; R75-A78 PolarHBondContact O-N 3.05Å; L76-A78 PolarHBondContact O-N 3.43Å; A78-I80 VanDerWaalsContact C-N 3.32Å; A78-I80 PolarHBondContact O-N 2.99Å; A78-V81 WeakPolarHBondContact O-CB 3.4Å; A78-V81 PolarHBondContact O-N 2.93Å; A78-V81 VanDerWaalsContact O-N 3.15Å; A78-A82 PolarHBondContact O-N 3.43Å; A78-D171 CarbonylContact C-O 3.23Å; A78-D171 VanDerWaalsContact C-O 3.23Å; A78-D171 HydrophobicContact CB-CB 4.43Å; A78-D171 WeakPolarHBondContact CB-O 3.42Å; A78-D171 VanDerWaalsContact O-O 3.14Å; A78-W336 HydrophobicContact CB-CD2 4.39Å; A78-W336 HydrophobicContact CB-CE3 3.95Å; A78-W336 HydrophobicContact CB-CH2 3.23Å; A78-W336 HydrophobicContact CB-CZ2 3.76Å; A78-W336 HydrophobicContact CB-CZ3 3.36Å
79V98.2Very high97.2Very high0 Ų021.7 Ų21.70%010%0.102CC..Hα-helixtrans-57.7-46.4175.5-177.20000110.9I69 T70 A71 R75 L76 V81 A82 M83 D171I69-V79 HydrophobicContact CD1-CG1 4.01Å; I69-V79 HydrophobicContact CG1-CG1 4.32Å; I69-V79 HydrophobicContact CG2-CG1 4.3Å; T70-V79 WeakPolarHBondContact O-CG2 3.31Å; A71-V79 HydrophobicContact CB-CB 4.46Å; A71-V79 HydrophobicContact CB-CG1 4.08Å; A71-V79 HydrophobicContact CB-CG2 3.77Å; R75-V79 PolarHBondContact O-N 3.37Å; L76-V79 WeakPolarHBondContact O-CB 2.94Å; L76-V79 PolarHBondContact O-N 2.79Å; L76-V79 VanDerWaalsContact O-N 3.17Å; V79-V81 VanDerWaalsContact C-N 3.32Å; V79-V81 PolarHBondContact O-N 3.28Å; V79-A82 PolarHBondContact O-N 3.45Å; V79-M83 HydrophobicContact CG1-CG 4.4Å; V79-M83 HydrophobicContact CG1-SD 4.03Å; V79-M83 WeakPolarHBondContact O-CB 3.47Å; V79-M83 VanDerWaalsContact O-CG 3.31Å; V79-M83 WeakPolarHBondContact O-CG 3.43Å; V79-M83 PolarHBondContact O-N 2.94Å; V79-D171 HydrophobicContact CG2-CB 3.8Å
80I98.6Very high97Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-62.1-40.6178.8-66.5-67.5000110.9L76 A78 N84 L108 W111 I112 L117 I351L76-I80 VanDerWaalsContact O-CG1 3.31Å; L76-I80 WeakPolarHBondContact O-CG1 3.45Å; L76-I80 PolarHBondContact O-N 2.75Å; A78-I80 VanDerWaalsContact C-N 3.32Å; A78-I80 PolarHBondContact O-N 2.99Å; I80-N84 WeakPolarHBondContact O-CB 3.27Å; I80-N84 PolarHBondContact O-N 3.14Å; I80-L108 HydrophobicContact CD1-CD1 4.49Å; I80-W111 HydrophobicContact CD1-CB 4.14Å; I80-W111 HydrophobicContact CD1-CD2 4.23Å; I80-W111 HydrophobicContact CD1-CG 3.89Å; I80-W111 HydrophobicContact CG1-CD2 3.76Å; I80-W111 HydrophobicContact CG1-CE3 4.2Å; I80-W111 HydrophobicContact CG1-CG 3.95Å; I80-W111 HydrophobicContact CG1-CZ2 4.29Å; I80-I112 HydrophobicContact CD1-CG1 3.97Å; I80-L117 HydrophobicContact CD1-CD1 3.89Å; I80-L117 HydrophobicContact CG2-CD1 3.96Å; I80-I351 HydrophobicContact CG2-CB 3.9Å; I80-I351 HydrophobicContact CG2-CD1 4.24Å; I80-I351 HydrophobicContact CG2-CG1 4.36Å
81V98.7Very high96.7Very high0 Ų027.3 Ų27.30%013%0.127CC..Hα-helixtrans-64-48174.1161.90000112.1G77 A78 V79 M83 N84 S85 V174 W346 W349 F350G77-V81 WeakPolarHBondContact O-CG2 3.32Å; G77-V81 PolarHBondContact O-N 2.84Å; A78-V81 WeakPolarHBondContact O-CB 3.4Å; A78-V81 PolarHBondContact O-N 2.93Å; A78-V81 VanDerWaalsContact O-N 3.15Å; V79-V81 VanDerWaalsContact C-N 3.32Å; V79-V81 PolarHBondContact O-N 3.28Å; V81-M83 PolarHBondContact O-N 3.01Å; V81-N84 PolarHBondContact O-N 2.93Å; V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 3.08Å; V81-S85 PolarHBondContact O-OG 3.1Å; V81-S85 VanDerWaalsContact O-OG 3.07Å; V81-V174 HydrophobicContact CG1-CG2 3.71Å; V81-W346 HydrophobicContact CB-CZ2 3.91Å; V81-W346 HydrophobicContact CG1-CD2 4.26Å; V81-W346 HydrophobicContact CG1-CG 4.18Å; V81-W346 HydrophobicContact CG1-CZ2 4.42Å; V81-W346 HydrophobicContact CG2-CD2 4.06Å; V81-W346 HydrophobicContact CG2-CE3 4.38Å; V81-W346 HydrophobicContact CG2-CH2 3.76Å; V81-W346 HydrophobicContact CG2-CZ2 3.38Å; V81-W346 HydrophobicContact CG2-CZ3 4.24Å; V81-W349 HydrophobicContact CB-CB 4.4Å; V81-W349 HydrophobicContact CG1-CB 3.71Å; V81-W349 HydrophobicContact CG2-CB 4.3Å; V81-F350 HydrophobicContact CG2-CB 4.01Å; V81-F350 HydrophobicContact CG2-CD2 4.1Å
82A98.7Very high96.3Very high1 Ų127.4 Ų27.41%0.00813%0.128CC..Hα-helixtrans-59.1-47.9177.800000110.8I69 A78 V79 N84 S85 V86 V173I69-A82 HydrophobicContact CD1-CB 3.54Å; A78-A82 PolarHBondContact O-N 3.43Å; V79-A82 PolarHBondContact O-N 3.45Å; A82-N84 PolarHBondContact O-N 3.08Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 2.85Å; A82-V86 VanDerWaalsContact O-CG2 3.3Å; A82-V86 WeakPolarHBondContact O-CG2 3.4Å; A82-V86 PolarHBondContact O-N 2.97Å; A82-V173 HydrophobicContact CB-CG2 3.98Å
83M98.7Very high96.2Very high0 Ų028 Ų280%013%0.129CC..Hα-helixtrans-62.1-42.5176.6-72-179.666.400112.8V79 V81 S87 F96 I98 I112 L117 V120V79-M83 HydrophobicContact CG1-CG 4.4Å; V79-M83 HydrophobicContact CG1-SD 4.03Å; V79-M83 WeakPolarHBondContact O-CB 3.47Å; V79-M83 VanDerWaalsContact O-CG 3.31Å; V79-M83 WeakPolarHBondContact O-CG 3.43Å; V79-M83 PolarHBondContact O-N 2.94Å; V81-M83 PolarHBondContact O-N 3.01Å; M83-S87 WeakPolarHBondContact O-CB 3.33Å; M83-S87 PolarHBondContact O-N 3.35Å; M83-S87 PolarHBondContact O-OG 3.16Å; M83-F96 HydrophobicContact CB-CE1 4.35Å; M83-F96 HydrophobicContact CB-CZ 4.31Å; M83-F96 HydrophobicContact CE-CB 4.25Å; M83-F96 HydrophobicContact CE-CD2 4.04Å; M83-F96 HydrophobicContact CE-CG 4.02Å; M83-F96 HydrophobicContact CG-CD1 3.98Å; M83-F96 HydrophobicContact CG-CE1 3.97Å; M83-F96 HydrophobicContact CG-CG 4.37Å; M83-F96 HydrophobicContact CG-CZ 4.36Å; M83-I98 HydrophobicContact CE-CD1 3.75Å; M83-I98 HydrophobicContact SD-CD1 3.65Å; M83-I98 HydrophobicContact SD-CG1 4.25Å; M83-I112 HydrophobicContact CE-CD1 4Å; M83-I112 HydrophobicContact SD-CD1 4.34Å; M83-L117 HydrophobicContact CB-CD1 4.3Å; M83-V120 HydrophobicContact CE-CG1 4.23Å
84N98.6Very high96.3Very high6 Ų625.2 Ų25.23%0.03212%0.116CC..Hα-helixtrans-67-44.9179.8-173.436.7000111.7I80 V81 A82 S87 R88 L117 W349 I351I80-N84 WeakPolarHBondContact O-CB 3.27Å; I80-N84 PolarHBondContact O-N 3.14Å; V81-N84 PolarHBondContact O-N 2.93Å; A82-N84 PolarHBondContact O-N 3.08Å; N84-S87 PolarHBondContact O-N 3.02Å; N84-R88 WeakPolarHBondContact O-CB 3.41Å; N84-R88 WeakPolarHBondContact O-CG 3.1Å; N84-R88 PolarHBondContact O-N 3.04Å; N84-R88 WeakPolarHBondContact OD1-CD 3.38Å; N84-R88 PolarHBondContact OD1-NE 3.44Å; N84-L117 HydrophobicContact CB-CD2 4.02Å; N84-W349 PolarHBondContact ND2-O 2.99Å; N84-I351 HydrophobicContact CB-CD1 3.95Å
85S98.6Very high96.5Very high0 Ų022.1 Ų22.10%010%0.101CC..Hα-helixtrans-62.1-45.8177.765.50000112V81 A82 S87 N89 V175 W349V81-S85 WeakPolarHBondContact O-CB 3.49Å; V81-S85 PolarHBondContact O-N 3.08Å; V81-S85 PolarHBondContact O-OG 3.1Å; V81-S85 VanDerWaalsContact O-OG 3.07Å; A82-S85 PolarHBondContact O-N 2.89Å; A82-S85 PolarHBondContact O-OG 2.85Å; S85-S87 PolarHBondContact O-N 3.34Å; S85-N89 WeakPolarHBondContact O-CB 3.41Å; S85-N89 PolarHBondContact O-N 3.4Å; S85-N89 VanDerWaalsContact O-N 3.08Å; S85-N89 PolarHBondContact O-ND2 3.32Å; S85-N89 VanDerWaalsContact O-ND2 3.1Å; S85-V175 CarbonylContact C-O 3.5Å; S85-V175 WeakPolarHBondContact CB-O 3.3Å; S85-V175 PolarHBondContact OG-N 2.84Å; S85-W349 VanDerWaalsContact CA-CE3 3.48Å
86V98.5Very high96.7Very high1 Ų120.1 Ų20.11%0.0069%0.093CC..Hα-helixtrans-60.3-48.4173172.50000111.4A82 R88 S90 V94 F96 L169 V175 I179A82-V86 VanDerWaalsContact O-CG2 3.3Å; A82-V86 WeakPolarHBondContact O-CG2 3.4Å; A82-V86 PolarHBondContact O-N 2.97Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.35Å; V86-S90 WeakPolarHBondContact O-CB 3.35Å; V86-S90 PolarHBondContact O-N 2.86Å; V86-V94 HydrophobicContact CG1-CG1 4.03Å; V86-V94 HydrophobicContact CG1-CG2 4.13Å; V86-F96 HydrophobicContact CB-CE1 4.2Å; V86-F96 HydrophobicContact CB-CZ 3.82Å; V86-F96 HydrophobicContact CG1-CE1 4.04Å; V86-F96 HydrophobicContact CG1-CZ 3.58Å; V86-L169 HydrophobicContact CG2-CD1 3.91Å; V86-V175 HydrophobicContact CG2-CB 3.66Å; V86-V175 HydrophobicContact CG2-CG1 4.19Å; V86-V175 HydrophobicContact CG2-CG2 3.45Å; V86-V175 VanDerWaalsContact CG2-CG2 3.45Å; V86-I179 HydrophobicContact CG1-CB 4.49Å; V86-I179 HydrophobicContact CG1-CD1 3.86Å; V86-I179 HydrophobicContact CG1-CG2 4.19Å; V86-I179 HydrophobicContact CG2-CD1 4.01Å
87S96.8Very high96.8Very high10 Ų1020.2 Ų20.27%0.079%0.094CC..Hα-helixtrans-67.2-32.3-174.3-62.90000113.3R60 M83 N84 S85 F96 V120R60-S87 PolarHBondContact NH2-O 3.24Å; M83-S87 WeakPolarHBondContact O-CB 3.33Å; M83-S87 PolarHBondContact O-N 3.35Å; M83-S87 PolarHBondContact O-OG 3.16Å; N84-S87 PolarHBondContact O-N 3.02Å; S85-S87 PolarHBondContact O-N 3.34Å; S87-F96 WeakPolarHBondContact OG-CE2 3.5Å; S87-V120 WeakPolarHBondContact OG-CG2 3.19Å
88R96.7Very high96.9Very high155 Ų15520.2 Ų20.259%0.5859%0.094SC*.Hα-helixtrans-84.9-33-179-75.6-173176.5-131.9-0.5113.2N84 V86 W349N84-R88 WeakPolarHBondContact O-CB 3.41Å; N84-R88 WeakPolarHBondContact O-CG 3.1Å; N84-R88 PolarHBondContact O-N 3.04Å; N84-R88 WeakPolarHBondContact OD1-CD 3.38Å; N84-R88 PolarHBondContact OD1-NE 3.44Å; V86-R88 VanDerWaalsContact C-N 3.32Å; V86-R88 PolarHBondContact O-N 3.35Å; R88-W349 HydrophobicContact CB-CH2 4.48Å; R88-W349 HydrophobicContact CB-CZ3 3.68Å; R88-W349 HydrophobicContact CG-CZ3 4.32Å
89N97.1Very high96.9Very high47 Ų4720.2 Ų20.225%0.2519%0.094SC..Hα-helixtrans-91.6-14.8-179-66.1-44.5000113.7S85 V175 W349S85-N89 WeakPolarHBondContact O-CB 3.41Å; S85-N89 PolarHBondContact O-N 3.4Å; S85-N89 VanDerWaalsContact O-N 3.08Å; S85-N89 PolarHBondContact O-ND2 3.32Å; S85-N89 VanDerWaalsContact O-ND2 3.1Å; N89-V175 PolarHBondContact ND2-O 2.76Å; N89-W349 WeakPolarHBondContact ND2-CH2 3.18Å; N89-W349 VanDerWaalsContact ND2-CZ2 3.26Å; N89-W349 WeakPolarHBondContact ND2-CZ2 3.41Å; N89-W349 WeakPolarHBondContact OD1-CH2 3.26Å
90S94.3Very high96.9Very high9 Ų920.2 Ų20.26%0.0639%0.094CC..  trans-85.6136.3178.9-169.20000113.6V86 A92 D178 I179V86-S90 WeakPolarHBondContact O-CB 3.35Å; V86-S90 PolarHBondContact O-N 2.86Å; S90-A92 PolarHBondContact OG-N 3.12Å; S90-A92 VanDerWaalsContact OG-N 3.14Å; S90-D178 VanDerWaalsContact CA-OD1 3.29Å; S90-D178 WeakPolarHBondContact CA-OD1 3.45Å; S90-D178 PolarHBondContact OG-OD1 2.91Å; S90-I179 WeakPolarHBondContact OG-CG2 3.33Å
91K90Very high96.8Very high123 Ų12322.7 Ų22.754%0.53511%0.106SC..  trans-88.5-15.9171-54.2-179.2174.4174.80112.3M58 D178M58-K91 HydrophobicContact CE-CB 3.51Å; M58-K91 HydrophobicContact CE-CD 3.81Å; M58-K91 HydrophobicContact CE-CG 3.41Å; M58-K91 VanDerWaalsContact CE-CG 3.41Å; K91-D178 VanDerWaalsContact CB-OD2 3.22Å; K91-D178 WeakPolarHBondContact CB-OD2 3.5Å; K91-D178 WeakPolarHBondContact CD-OD2 3.42Å; K91-D178 WeakPolarHBondContact CG-OD2 3.36Å; K91-D178 PolarHBondContact N-OD1 2.77Å; K91-D178 VanDerWaalsContact N-OD1 3.17Å; K91-D178 PolarHBondContact N-OD2 3.18Å
92A89.9Confident96.6Very high2 Ų228.7 Ų28.72%0.01714%0.139CC..SBendtrans-86.3164.2179.900000112.9R60 I65 S90 V94 Q180R60-A92 WeakPolarHBondContact CD-O 3.28Å; I65-A92 HydrophobicContact CD1-CB 3.46Å; I65-A92 VanDerWaalsContact CD1-CB 3.46Å; I65-A92 HydrophobicContact CG1-CB 4.11Å; S90-A92 PolarHBondContact OG-N 3.12Å; S90-A92 VanDerWaalsContact OG-N 3.14Å; A92-V94 PolarHBondContact O-N 3.05Å; A92-Q180 HydrophobicContact CB-CB 4.08Å
93N93.3Very high96.4Very high35 Ų3534.2 Ų34.219%0.18717%0.168CC..EExtended strand (participates in β ladder)trans-75.8106.6171.1-73.6-54.3000109.7R60 G62 E64 I65R60-N93 WeakPolarHBondContact CB-OD1 3.47Å; R60-N93 PolarHBondContact O-ND2 3.15Å; G62-N93 PolarHBondContact O-ND2 3.1Å; G62-N93 VanDerWaalsContact O-ND2 3.16Å; E64-N93 CarbonylContact C-O 3.53Å; E64-N93 VanDerWaalsContact CA-O 3.27Å; E64-N93 WeakPolarHBondContact CA-O 3.37Å; E64-N93 HydrophobicContact CG-CB 4.16Å; I65-N93 PolarHBondContact N-O 3.03Å
94V96.6Very high96.4Very high3 Ų334.3 Ų34.32%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-97.1134.9177.7-175.90000110.8V67 V86 A92 F96 I179V67-V94 HydrophobicContact CB-CG1 4.18Å; V67-V94 HydrophobicContact CG2-CG1 3.64Å; V86-V94 HydrophobicContact CG1-CG1 4.03Å; V86-V94 HydrophobicContact CG1-CG2 4.13Å; A92-V94 PolarHBondContact O-N 3.05Å; V94-F96 HydrophobicContact CB-CE2 4.28Å; V94-F96 HydrophobicContact CG1-CD2 4.09Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CE2 3.65Å; V94-F96 HydrophobicContact CG1-CZ 3.71Å; V94-I179 HydrophobicContact CG2-CG2 3.9Å
95V97.6Very high96.3Very high28 Ų2834.6 Ų34.617%0.1717%0.171CC..EExtended strand (participates in β ladder)trans-119.8118.6171.1-1790000109.5E64 I65 V67 K121E64-V95 HydrophobicContact CB-CG2 3.87Å; E64-V95 VanDerWaalsContact CD-CG2 3.42Å; E64-V95 HydrophobicContact CG-CG2 3.96Å; E64-V95 WeakPolarHBondContact OE2-CG2 3.32Å; I65-V95 PolarHBondContact O-N 2.91Å; V67-V95 PolarHBondContact N-O 2.76Å; V95-K121 HydrophobicContact CB-CB 4.44Å; V95-K121 HydrophobicContact CG1-CB 4.39Å; V95-K121 HydrophobicContact CG2-CB 3.89Å; V95-K121 HydrophobicContact CG2-CD 3.95Å
96F98.6Very high96.3Very high2 Ų240.5 Ų40.51%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-86.6132.6179.4-65.2-88.3000111.7V67 M83 V86 S87 V94 I98 V120 K121 Y122 K123V67-F96 HydrophobicContact CB-CD1 4.08Å; V67-F96 HydrophobicContact CB-CE1 4.25Å; V67-F96 HydrophobicContact CG1-CD1 4.06Å; V67-F96 HydrophobicContact CG1-CE1 4.06Å; V67-F96 CarbonylContact O-C 3.58Å; V67-F96 VanDerWaalsContact O-CA 3.31Å; V67-F96 WeakPolarHBondContact O-CA 3.37Å; M83-F96 HydrophobicContact CB-CE1 4.35Å; M83-F96 HydrophobicContact CB-CZ 4.31Å; M83-F96 HydrophobicContact CE-CB 4.25Å; M83-F96 HydrophobicContact CE-CD2 4.04Å; M83-F96 HydrophobicContact CE-CG 4.02Å; M83-F96 HydrophobicContact CG-CD1 3.98Å; M83-F96 HydrophobicContact CG-CE1 3.97Å; M83-F96 HydrophobicContact CG-CG 4.37Å; M83-F96 HydrophobicContact CG-CZ 4.36Å; V86-F96 HydrophobicContact CB-CE1 4.2Å; V86-F96 HydrophobicContact CB-CZ 3.82Å; V86-F96 HydrophobicContact CG1-CE1 4.04Å; V86-F96 HydrophobicContact CG1-CZ 3.58Å; S87-F96 WeakPolarHBondContact OG-CE2 3.5Å; V94-F96 HydrophobicContact CB-CE2 4.28Å; V94-F96 HydrophobicContact CG1-CD2 4.09Å; V94-F96 HydrophobicContact CG1-CE1 4.17Å; V94-F96 HydrophobicContact CG1-CE2 3.65Å; V94-F96 HydrophobicContact CG1-CZ 3.71Å; F96-I98 HydrophobicContact CB-CG1 4.17Å; F96-V120 HydrophobicContact CD2-CG1 3.3Å; F96-V120 HydrophobicContact CE2-CG1 3.41Å; F96-V120 VanDerWaalsContact CE2-CG1 3.41Å; F96-K121 PolarHBondContact N-O 2.9Å; F96-Y122 CarbonylContact O-C 3.56Å; F96-Y122 WeakPolarHBondContact O-CA 3.31Å; F96-K123 PolarHBondContact O-N 3.06Å
97T98.8Very high96.3Very high3 Ų340.9 Ų40.92%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-103.8106.8162.3-58.40000107.6V67 L68 I69 V99 K123 V125 I160V67-T97 PolarHBondContact O-N 3.42Å; L68-T97 WeakPolarHBondContact CA-O 3.46Å; L68-T97 HydrophobicContact CD1-CG2 4.25Å; L68-T97 HydrophobicContact CG-CG2 4.47Å; I69-T97 PolarHBondContact N-O 3.1Å; T97-V99 HydrophobicContact CG2-CG2 4.35Å; T97-K123 HydrophobicContact CG2-CD 4.46Å; T97-K123 HydrophobicContact CG2-CG 4.19Å; T97-K123 WeakPolarHBondContact OG1-CE 3.02Å; T97-V125 HydrophobicContact CG2-CG2 3.98Å; T97-I160 HydrophobicContact CG2-CG1 4.25Å
98I98.7Very high96.4Very high0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-97.9109.5-177.2-48.9169.2000108.1I69 A71 M83 F96 L108 I112 Y122 K123 I124 V125I69-I98 HydrophobicContact CG2-CB 4.4Å; I69-I98 HydrophobicContact CG2-CG1 3.99Å; I69-I98 HydrophobicContact CG2-CG2 4.28Å; I69-I98 WeakPolarHBondContact O-CA 3.24Å; A71-I98 HydrophobicContact CB-CG2 3.63Å; M83-I98 HydrophobicContact CE-CD1 3.75Å; M83-I98 HydrophobicContact SD-CD1 3.65Å; M83-I98 HydrophobicContact SD-CG1 4.25Å; F96-I98 HydrophobicContact CB-CG1 4.17Å; I98-L108 HydrophobicContact CB-CD2 4.32Å; I98-L108 HydrophobicContact CD1-CD2 4.16Å; I98-L108 HydrophobicContact CG2-CD2 3.63Å; I98-I112 HydrophobicContact CD1-CD1 3.76Å; I98-Y122 HydrophobicContact CD1-CD2 3.99Å; I98-Y122 HydrophobicContact CD1-CG 4.25Å; I98-K123 PolarHBondContact N-O 2.65Å; I98-I124 WeakPolarHBondContact O-CA 3.31Å; I98-V125 PolarHBondContact O-N 3.21Å
99V98.6Very high96.4Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-92.8121.6178.2-179.10000109.1L68 I69 T70 A71 T97 V125 F127 L149 A152 Y159L68-V99 HydrophobicContact CD1-CG2 3.88Å; L68-V99 HydrophobicContact CD2-CG2 4Å; L68-V99 HydrophobicContact CG-CG2 4.05Å; I69-V99 PolarHBondContact O-N 2.89Å; T70-V99 CarbonylContact C-O 3.45Å; T70-V99 VanDerWaalsContact CA-O 3.26Å; T70-V99 WeakPolarHBondContact CA-O 3.48Å; A71-V99 PolarHBondContact N-O 3.29Å; T97-V99 HydrophobicContact CG2-CG2 4.35Å; V99-V125 WeakPolarHBondContact CA-O 3.21Å; V99-V125 HydrophobicContact CG2-CB 4.47Å; V99-F127 HydrophobicContact CG1-CB 3.78Å; V99-F127 HydrophobicContact CG1-CD2 4Å; V99-F127 HydrophobicContact CG1-CG 4.38Å; V99-L149 HydrophobicContact CG1-CD2 4.23Å; V99-A152 HydrophobicContact CB-CB 4.28Å; V99-A152 HydrophobicContact CG1-CB 3.86Å; V99-Y159 HydrophobicContact CG1-CE1 4.38Å; V99-Y159 HydrophobicContact CG1-CE2 4.34Å; V99-Y159 HydrophobicContact CG2-CD1 4.11Å; V99-Y159 HydrophobicContact CG2-CD2 3.86Å; V99-Y159 HydrophobicContact CG2-CE1 4.37Å; V99-Y159 HydrophobicContact CG2-CE2 4.13Å; V99-Y159 HydrophobicContact CG2-CG 3.84Å
100T98.2Very high96.5Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-147.4178.7-170.7-165.70000112.3A71 T104 V105 I124 V125 I126 F127A71-T100 WeakPolarHBondContact O-CB 3.3Å; A71-T100 PolarHBondContact O-OG1 3.2Å; T100-T104 VanDerWaalsContact OG1-CB 3.23Å; T100-T104 WeakPolarHBondContact OG1-CB 3.19Å; T100-T104 VanDerWaalsContact OG1-CG2 3.23Å; T100-T104 WeakPolarHBondContact OG1-CG2 3.34Å; T100-V105 HydrophobicContact CG2-CG2 4.03Å; T100-I124 HydrophobicContact CG2-CG2 3.57Å; T100-V125 PolarHBondContact N-O 3.34Å; T100-I126 HydrophobicContact CG2-CD1 4.28Å; T100-I126 WeakPolarHBondContact O-CA 3.5Å; T100-F127 PolarHBondContact O-N 3.25Å
101L95.9Very high96.7Very high51 Ų5136 Ų3627%0.26719%0.187SC..  trans-98.5159.1173-62.7176.2000110.4D103 T104 F127 L149L101-D103 VanDerWaalsContact C-N 3.3Å; L101-D103 VanDerWaalsContact CB-OD1 3.25Å; L101-D103 WeakPolarHBondContact CB-OD1 3.32Å; L101-D103 PolarHBondContact O-N 3.3Å; L101-T104 PolarHBondContact O-N 3.45Å; L101-T104 VanDerWaalsContact O-N 3.15Å; L101-F127 HydrophobicContact CD2-CB 4.46Å; L101-L149 HydrophobicContact CD1-CD1 4.49Å; L101-L149 HydrophobicContact CD2-CD2 4.44Å; L101-L149 HydrophobicContact CG-CD1 4.17Å; L101-L149 HydrophobicContact CG-CD2 4.37Å; L101-L149 HydrophobicContact CG-CG 4.25Å
102N95.3Very high97Very high126 Ų12630.2 Ų30.267%0.67416%0.161SC*.G310 helixtrans-61.4-36.8-171.9-170.464.8000113.5T104 V105N102-T104 VanDerWaalsContact C-N 3.27Å; N102-T104 PolarHBondContact O-N 2.93Å; N102-V105 WeakPolarHBondContact O-CG2 3.25Å; N102-V105 PolarHBondContact O-N 2.89Å
103D94.7Very high97.4Very high118 Ų11833.1 Ų33.163%0.63118%0.182SC*.G310 helixtrans-68.3-22.8178.959.7-12.4000113.9L101L101-D103 VanDerWaalsContact C-N 3.3Å; L101-D103 VanDerWaalsContact CB-OD1 3.25Å; L101-D103 WeakPolarHBondContact CB-OD1 3.32Å; L101-D103 PolarHBondContact O-N 3.3Å
104T97Very high97.6Very high1 Ų138.4 Ų38.41%0.00620%0.203CC..G310 helixtrans-85.8-19.4-178.9-54.70000112.6E73 L76 T100 L101 N102 D106 H107 L108E73-T104 HydrophobicContact CB-CG2 4.48Å; E73-T104 PolarHBondContact N-OG1 2.81Å; E73-T104 WeakPolarHBondContact OE2-CA 3.14Å; L76-T104 HydrophobicContact CD1-CG2 3.97Å; L76-T104 HydrophobicContact CD2-CG2 3.64Å; L76-T104 HydrophobicContact CG-CG2 3.97Å; T100-T104 VanDerWaalsContact OG1-CB 3.23Å; T100-T104 WeakPolarHBondContact OG1-CB 3.19Å; T100-T104 VanDerWaalsContact OG1-CG2 3.23Å; T100-T104 WeakPolarHBondContact OG1-CG2 3.34Å; L101-T104 PolarHBondContact O-N 3.45Å; L101-T104 VanDerWaalsContact O-N 3.15Å; N102-T104 VanDerWaalsContact C-N 3.27Å; N102-T104 PolarHBondContact O-N 2.93Å; T104-D106 PolarHBondContact O-N 3.03Å; T104-H107 PolarHBondContact O-N 2.87Å; T104-L108 WeakPolarHBondContact O-CB 3.46Å; T104-L108 PolarHBondContact O-N 3.03Å
105V98Very high97.5Very high13 Ų1339.2 Ų39.28%0.07921%0.208CC..Hα-helixtrans-59-48.3-168.8176.20000113.1T100 N102 L108 K109 I124 I126T100-V105 HydrophobicContact CG2-CG2 4.03Å; N102-V105 WeakPolarHBondContact O-CG2 3.25Å; N102-V105 PolarHBondContact O-N 2.89Å; V105-L108 PolarHBondContact O-N 3.21Å; V105-K109 HydrophobicContact CG1-CD 3.9Å; V105-K109 HydrophobicContact CG1-CG 4.35Å; V105-K109 WeakPolarHBondContact O-CB 3.44Å; V105-K109 WeakPolarHBondContact O-CG 3.47Å; V105-K109 PolarHBondContact O-N 2.63Å; V105-I124 HydrophobicContact CG1-CD1 4.45Å; V105-I124 HydrophobicContact CG2-CG2 4.3Å; V105-I126 HydrophobicContact CG2-CD1 3.43Å; V105-I126 VanDerWaalsContact CG2-CD1 3.43Å
106D98Very high97.3Very high123 Ų12341.9 Ų41.966%0.65822%0.224SC*.Hα-helixtrans-69.4-39.7-173.1-71.5-23.7000111.7T104 K109 A110T104-D106 PolarHBondContact O-N 3.03Å; D106-K109 PolarHBondContact O-N 2.94Å; D106-A110 VanDerWaalsContact O-CB 3.31Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 3.1Å
107H98.2Very high97.2Very high9 Ų941.9 Ų41.94%0.04222%0.224CC..Hα-helixtrans-64.5-48.5175.7-172-175.9000110.7E73 L76 T104 K109 A110 W111 D353 T355E73-H107 IonicContact OE1-CE1 3.99Å; E73-H107 IonicContact OE1-CG 3.9Å; E73-H107 IonicContact OE1-ND1 3.64Å; E73-H107 PolarHBondContact OE1-ND1 2.82Å; E73-H107 IonicContact OE2-ND1 3.74Å; L76-H107 HydrophobicContact CD1-CB 3.92Å; L76-H107 VanDerWaalsContact CD1-ND1 3.31Å; L76-H107 WeakPolarHBondContact CD1-ND1 3.43Å; T104-H107 PolarHBondContact O-N 2.87Å; H107-K109 PolarHBondContact O-N 3.4Å; H107-A110 PolarHBondContact O-N 3.08Å; H107-W111 AromaticContact NE2-CE3 3.52Å; H107-W111 AromaticContact NE2-CZ3 3.85Å; H107-W111 PolarHBondContact O-N 2.82Å; H107-D353 IonicContact CD2-OD1 3.72Å; H107-D353 IonicContact CE1-OD2 2.62Å; H107-D353 IonicContact NE2-OD1 3.38Å; H107-D353 PolarHBondContact NE2-OD1 2.96Å; H107-D353 IonicContact NE2-OD2 3.56Å; H107-D353 PolarHBondContact NE2-OD2 3.39Å; H107-T355 PolarHBondContact NE2-OG1 3.05Å
108L98.2Very high97.1Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-56.5-47.9175.717763.5000112.3A71 L76 I80 I98 T104 V105 A110 W111 I112 I124A71-L108 HydrophobicContact CB-CD2 4.41Å; L76-L108 HydrophobicContact CD2-CB 4.14Å; L76-L108 HydrophobicContact CD2-CD1 3.95Å; I80-L108 HydrophobicContact CD1-CD1 4.49Å; I98-L108 HydrophobicContact CB-CD2 4.32Å; I98-L108 HydrophobicContact CD1-CD2 4.16Å; I98-L108 HydrophobicContact CG2-CD2 3.63Å; T104-L108 WeakPolarHBondContact O-CB 3.46Å; T104-L108 PolarHBondContact O-N 3.03Å; V105-L108 PolarHBondContact O-N 3.21Å; L108-A110 PolarHBondContact O-N 3.24Å; L108-W111 PolarHBondContact O-N 2.96Å; L108-I112 HydrophobicContact CD1-CD1 3.66Å; L108-I112 HydrophobicContact CD1-CG1 4.2Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 WeakPolarHBondContact O-CG1 2.96Å; L108-I112 PolarHBondContact O-N 2.96Å; L108-I124 HydrophobicContact CD2-CD1 3.85Å; L108-I124 HydrophobicContact CD2-CG1 4.08Å; L108-I124 HydrophobicContact CG-CD1 4.3Å
109K98.1Very high96.8Very high98 Ų9854.5 Ų54.543%0.42629%0.285SS..Hα-helixtrans-61.8-43.7177.7-77.6177.9179.7170.70111.9V105 D106 H107 W111 S113 I124V105-K109 HydrophobicContact CG1-CD 3.9Å; V105-K109 HydrophobicContact CG1-CG 4.35Å; V105-K109 WeakPolarHBondContact O-CB 3.44Å; V105-K109 WeakPolarHBondContact O-CG 3.47Å; V105-K109 PolarHBondContact O-N 2.63Å; D106-K109 PolarHBondContact O-N 2.94Å; H107-K109 PolarHBondContact O-N 3.4Å; K109-W111 VanDerWaalsContact C-N 3.31Å; K109-W111 PolarHBondContact O-N 2.77Å; K109-S113 VanDerWaalsContact O-CB 3.25Å; K109-S113 WeakPolarHBondContact O-CB 3.32Å; K109-S113 PolarHBondContact O-N 2.86Å; K109-S113 PolarHBondContact O-OG 2.82Å; K109-I124 HydrophobicContact CD-CD1 4.38Å; K109-I124 HydrophobicContact CG-CD1 3.61Å
110A97.9Very high96.7Very high22 Ų2255.2 Ų55.218%0.18229%0.29CS..Hα-helixtrans-60.9-42.1177.500000111.2D106 H107 L108 S113 K114 T355D106-A110 VanDerWaalsContact O-CB 3.31Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 3.1Å; H107-A110 PolarHBondContact O-N 3.08Å; L108-A110 PolarHBondContact O-N 3.24Å; A110-S113 PolarHBondContact O-OG 2.97Å; A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.18Å; A110-K114 VanDerWaalsContact O-CG 3.28Å; A110-K114 WeakPolarHBondContact O-CG 3.06Å; A110-K114 PolarHBondContact O-N 2.94Å; A110-T355 HydrophobicContact CB-CG2 4.13Å
111W98.1Very high96.6Very high0 Ų060.1 Ų60.10%031%0.311CS..Hα-helixtrans-67.2-47.2179.5-153.2-28.5000112.3L76 G77 I80 H107 L108 K109 T115 F350 I351 P352 D353 P354 F358L76-W111 HydrophobicContact CB-CE3 4.09Å; L76-W111 HydrophobicContact CB-CZ3 3.7Å; G77-W111 VanDerWaalsContact CA-CH2 3.46Å; I80-W111 HydrophobicContact CD1-CB 4.14Å; I80-W111 HydrophobicContact CD1-CD2 4.23Å; I80-W111 HydrophobicContact CD1-CG 3.89Å; I80-W111 HydrophobicContact CG1-CD2 3.76Å; I80-W111 HydrophobicContact CG1-CE3 4.2Å; I80-W111 HydrophobicContact CG1-CG 3.95Å; I80-W111 HydrophobicContact CG1-CZ2 4.29Å; H107-W111 AromaticContact NE2-CE3 3.52Å; H107-W111 AromaticContact NE2-CZ3 3.85Å; H107-W111 PolarHBondContact O-N 2.82Å; L108-W111 PolarHBondContact O-N 2.96Å; K109-W111 VanDerWaalsContact C-N 3.31Å; K109-W111 PolarHBondContact O-N 2.77Å; W111-T115 WeakPolarHBondContact O-CB 3.24Å; W111-T115 WeakPolarHBondContact O-CG2 3.42Å; W111-T115 PolarHBondContact O-OG1 3.01Å; W111-F350 HydrophobicContact CH2-CE2 4.37Å; W111-F350 AromaticContact CZ2-CE2 3.96Å; W111-F350 HydrophobicContact CZ2-CE2 3.96Å; W111-F350 HydrophobicContact CZ2-CZ 4.32Å; W111-I351 VanDerWaalsContact CZ2-O 3.28Å; W111-I351 WeakPolarHBondContact CZ2-O 3.4Å; W111-I351 PolarHBondContact NE1-O 2.78Å; W111-I351 VanDerWaalsContact NE1-O 3.12Å; W111-P352 PolarHBondContact NE1-O 2.97Å; W111-D353 HydrophobicContact CD2-CB 4.1Å; W111-D353 VanDerWaalsContact CE2-CA 3.42Å; W111-D353 HydrophobicContact CE3-CB 4.1Å; W111-D353 HydrophobicContact CH2-CB 3.62Å; W111-D353 HydrophobicContact CZ2-CB 3.56Å; W111-D353 HydrophobicContact CZ3-CB 3.87Å; W111-P354 VanDerWaalsContact CD1-CD 3.46Å; W111-P354 HydrophobicContact CG-CG 4.47Å; W111-F358 HydrophobicContact CH2-CB 3.53Å; W111-F358 AromaticContact CH2-CD1 3.6Å; W111-F358 HydrophobicContact CH2-CD1 3.6Å; W111-F358 HydrophobicContact CH2-CE1 4.48Å; W111-F358 AromaticContact CH2-CG 3.66Å; W111-F358 HydrophobicContact CH2-CG 3.66Å; W111-F358 HydrophobicContact CZ2-CD1 4.46Å; W111-F358 HydrophobicContact CZ3-CB 3.61Å; W111-F358 HydrophobicContact CZ3-CD1 4.44Å; W111-F358 HydrophobicContact CZ3-CG 4.06Å
112I98.1Very high96.7Very high0 Ų061.4 Ų61.40%031%0.313CS..Hα-helixtrans-65.7-47.7179.7-66.5169.8000111I80 M83 I98 L108 K114 T115 L117 K118 Y122I80-I112 HydrophobicContact CD1-CG1 3.97Å; M83-I112 HydrophobicContact CE-CD1 4Å; M83-I112 HydrophobicContact SD-CD1 4.34Å; I98-I112 HydrophobicContact CD1-CD1 3.76Å; L108-I112 HydrophobicContact CD1-CD1 3.66Å; L108-I112 HydrophobicContact CD1-CG1 4.2Å; L108-I112 HydrophobicContact CG-CD1 3.96Å; L108-I112 WeakPolarHBondContact O-CG1 2.96Å; L108-I112 PolarHBondContact O-N 2.96Å; I112-K114 PolarHBondContact O-N 3.14Å; I112-T115 PolarHBondContact O-N 2.84Å; I112-T115 PolarHBondContact O-OG1 2.86Å; I112-L117 HydrophobicContact CG2-CB 4.07Å; I112-L117 CarbonylContact O-C 3.56Å; I112-K118 WeakPolarHBondContact O-CA 3.38Å; I112-K118 PolarHBondContact O-N 3.25Å; I112-K118 VanDerWaalsContact O-N 3.13Å; I112-Y122 HydrophobicContact CB-CE1 4.48Å; I112-Y122 HydrophobicContact CD1-CD2 4.33Å; I112-Y122 HydrophobicContact CD1-CE1 4.48Å; I112-Y122 HydrophobicContact CD1-CE2 4.26Å; I112-Y122 HydrophobicContact CD1-CG 4.48Å; I112-Y122 HydrophobicContact CG2-CD1 4.03Å; I112-Y122 HydrophobicContact CG2-CE1 3.51Å
113S97.3Very high96.8Very high64 Ų6459.6 Ų59.645%0.44830%0.299SS..Hα-helixtrans-68.4-29.6-173.760.20000114.3K109 A110 K118K109-S113 VanDerWaalsContact O-CB 3.25Å; K109-S113 WeakPolarHBondContact O-CB 3.32Å; K109-S113 PolarHBondContact O-N 2.86Å; K109-S113 PolarHBondContact O-OG 2.82Å; A110-S113 PolarHBondContact O-OG 2.97Å; S113-K118 WeakPolarHBondContact O-CB 3.35Å
114K96.9Very high97Very high145 Ų14555.9 Ų55.963%0.6328%0.279SS*.THydrogen-bonded Turntrans-93.94.4-177.1-64.1179178.7-177.90114A110 I112 P354A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.18Å; A110-K114 VanDerWaalsContact O-CG 3.28Å; A110-K114 WeakPolarHBondContact O-CG 3.06Å; A110-K114 PolarHBondContact O-N 2.94Å; I112-K114 PolarHBondContact O-N 3.14Å; K114-P354 HydrophobicContact CB-CB 4.11Å; K114-P354 HydrophobicContact CB-CG 4.06Å; K114-P354 HydrophobicContact CD-CB 4.03Å; K114-P354 HydrophobicContact CD-CG 4.2Å
115T95.8Very high97.1Very high20 Ų2057.7 Ų57.712%0.12329%0.29CS..SBendtrans-126.3-173.9-174.965.80000112.6W111 I112 L117 K118 I351W111-T115 WeakPolarHBondContact O-CB 3.24Å; W111-T115 WeakPolarHBondContact O-CG2 3.42Å; W111-T115 PolarHBondContact O-OG1 3.01Å; I112-T115 PolarHBondContact O-N 2.84Å; I112-T115 PolarHBondContact O-OG1 2.86Å; T115-L117 PolarHBondContact O-N 3.2Å; T115-L117 VanDerWaalsContact O-N 3.12Å; T115-K118 WeakPolarHBondContact O-CB 3.27Å; T115-K118 WeakPolarHBondContact O-CG 3.4Å; T115-K118 PolarHBondContact O-N 2.91Å; T115-K118 VanDerWaalsContact O-N 3.16Å; T115-I351 HydrophobicContact CG2-CG2 3.48Å; T115-I351 VanDerWaalsContact CG2-CG2 3.48Å
116T93.8Very high97.1Very high84 Ų8459.8 Ų59.852%0.51530%0.3SS..G310 helixtrans-62.7-14.9177.5610000113.3K118 I351T116-K118 VanDerWaalsContact C-N 3.29Å; T116-K118 PolarHBondContact O-N 2.93Å; T116-I351 WeakPolarHBondContact OG1-CD1 3.18Å
117L96.3Very high97Very high2 Ų254 Ų541%0.0127%0.269CS..G310 helixtrans-78.5-4.2175.6-61.4180000114.3I80 M83 N84 I112 T115 N119 V120 I351I80-L117 HydrophobicContact CD1-CD1 3.89Å; I80-L117 HydrophobicContact CG2-CD1 3.96Å; M83-L117 HydrophobicContact CB-CD1 4.3Å; N84-L117 HydrophobicContact CB-CD2 4.02Å; I112-L117 HydrophobicContact CG2-CB 4.07Å; I112-L117 CarbonylContact O-C 3.56Å; T115-L117 PolarHBondContact O-N 3.2Å; T115-L117 VanDerWaalsContact O-N 3.12Å; L117-N119 PolarHBondContact O-N 3.44Å; L117-V120 HydrophobicContact CB-CG2 4.33Å; L117-V120 HydrophobicContact CD2-CG2 3.88Å; L117-V120 VanDerWaalsContact O-CB 3.29Å; L117-V120 WeakPolarHBondContact O-CB 3.44Å; L117-V120 PolarHBondContact O-N 2.89Å; L117-I351 HydrophobicContact CD1-CD1 4.15Å; L117-I351 HydrophobicContact CD2-CD1 4.34Å; L117-I351 HydrophobicContact CG-CD1 3.83Å
118K95.9Very high96.9Very high136 Ų13658.1 Ų58.159%0.59129%0.288SS*.G310 helixtrans-55.9-22.6-177.769.9-177.4-178.6179.90115.2I112 S113 T115 T116I112-K118 WeakPolarHBondContact O-CA 3.38Å; I112-K118 PolarHBondContact O-N 3.25Å; I112-K118 VanDerWaalsContact O-N 3.13Å; S113-K118 WeakPolarHBondContact O-CB 3.35Å; T115-K118 WeakPolarHBondContact O-CB 3.27Å; T115-K118 WeakPolarHBondContact O-CG 3.4Å; T115-K118 PolarHBondContact O-N 2.91Å; T115-K118 VanDerWaalsContact O-N 3.16Å; T116-K118 VanDerWaalsContact C-N 3.29Å; T116-K118 PolarHBondContact O-N 2.93Å
119N93.1Very high96.5Very high132 Ų13260.7 Ų60.771%0.70631%0.305SS*.G310 helixtrans-98-1.8179.8-60.6-37.9000113.2L117L117-N119 PolarHBondContact O-N 3.44Å
120V95.4Very high96.2Very high16 Ų1661.3 Ų61.310%0.09731%0.309CS..SBendtrans-73.2136.5176.2172.20000108.8M83 S87 F96 L117 Y122M83-V120 HydrophobicContact CE-CG1 4.23Å; S87-V120 WeakPolarHBondContact OG-CG2 3.19Å; F96-V120 HydrophobicContact CD2-CG1 3.3Å; F96-V120 HydrophobicContact CE2-CG1 3.41Å; F96-V120 VanDerWaalsContact CE2-CG1 3.41Å; L117-V120 HydrophobicContact CB-CG2 4.33Å; L117-V120 HydrophobicContact CD2-CG2 3.88Å; L117-V120 VanDerWaalsContact O-CB 3.29Å; L117-V120 WeakPolarHBondContact O-CB 3.44Å; L117-V120 PolarHBondContact O-N 2.89Å; V120-Y122 WeakPolarHBondContact O-CD1 3.28Å
121K96.9Very high96Very high102 Ų10262 Ų6244%0.44331%0.31SS..EExtended strand (participates in β ladder)trans-77.9123.7173.8-68.1179.3175178.50109E64 V95 F96E64-K121 WeakPolarHBondContact OE1-CD 3.33Å; E64-K121 IonicContact OE1-NZ 3.4Å; E64-K121 PolarHBondContact OE1-NZ 3.17Å; V95-K121 HydrophobicContact CB-CB 4.44Å; V95-K121 HydrophobicContact CG1-CB 4.39Å; V95-K121 HydrophobicContact CG2-CB 3.89Å; V95-K121 HydrophobicContact CG2-CD 3.95Å; F96-K121 PolarHBondContact N-O 2.9Å
122Y98.1Very high95.7Very high79 Ų7962.8 Ų62.831%0.3131%0.314SS..EExtended strand (participates in β ladder)trans-147.7157.2176.871-83.2000111.9F96 I98 I112 V120 I124F96-Y122 CarbonylContact O-C 3.56Å; F96-Y122 WeakPolarHBondContact O-CA 3.31Å; I98-Y122 HydrophobicContact CD1-CD2 3.99Å; I98-Y122 HydrophobicContact CD1-CG 4.25Å; I112-Y122 HydrophobicContact CB-CE1 4.48Å; I112-Y122 HydrophobicContact CD1-CD2 4.33Å; I112-Y122 HydrophobicContact CD1-CE1 4.48Å; I112-Y122 HydrophobicContact CD1-CE2 4.26Å; I112-Y122 HydrophobicContact CD1-CG 4.48Å; I112-Y122 HydrophobicContact CG2-CD1 4.03Å; I112-Y122 HydrophobicContact CG2-CE1 3.51Å; V120-Y122 WeakPolarHBondContact O-CD1 3.28Å; Y122-I124 HydrophobicContact CD2-CD1 4.37Å; Y122-I124 HydrophobicContact CD2-CG1 3.89Å; Y122-I124 HydrophobicContact CE2-CD1 3.84Å; Y122-I124 HydrophobicContact CE2-CG1 3.84Å
123K98Very high95.3Very high87 Ų8768.4 Ų68.438%0.37834%0.344SS..EExtended strand (participates in β ladder)trans-127140.4163.364.4179.4-178.3176.30109.3F96 T97 I98 V125 Y159F96-K123 PolarHBondContact O-N 3.06Å; T97-K123 HydrophobicContact CG2-CD 4.46Å; T97-K123 HydrophobicContact CG2-CG 4.19Å; T97-K123 WeakPolarHBondContact OG1-CE 3.02Å; I98-K123 PolarHBondContact N-O 2.65Å; K123-V125 HydrophobicContact CG-CG2 4.47Å; K123-Y159 WeakPolarHBondContact CE-O 3.29Å; K123-Y159 PolarHBondContact NZ-O 2.94Å
124I98.6Very high94.9Very high41 Ų4168 Ų6821%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-98.8130.6174.2-62.6173.6000107.8I98 T100 V105 L108 K109 Y122I98-I124 WeakPolarHBondContact O-CA 3.31Å; T100-I124 HydrophobicContact CG2-CG2 3.57Å; V105-I124 HydrophobicContact CG1-CD1 4.45Å; V105-I124 HydrophobicContact CG2-CG2 4.3Å; L108-I124 HydrophobicContact CD2-CD1 3.85Å; L108-I124 HydrophobicContact CD2-CG1 4.08Å; L108-I124 HydrophobicContact CG-CD1 4.3Å; K109-I124 HydrophobicContact CD-CD1 4.38Å; K109-I124 HydrophobicContact CG-CD1 3.61Å; Y122-I124 HydrophobicContact CD2-CD1 4.37Å; Y122-I124 HydrophobicContact CD2-CG1 3.89Å; Y122-I124 HydrophobicContact CE2-CD1 3.84Å; Y122-I124 HydrophobicContact CE2-CG1 3.84Å
125V98.3Very high94.6Very high39 Ų3963.2 Ų63.224%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-124133.4176.6-175.50000109T97 I98 V99 T100 K123 Y159T97-V125 HydrophobicContact CG2-CG2 3.98Å; I98-V125 PolarHBondContact O-N 3.21Å; V99-V125 WeakPolarHBondContact CA-O 3.21Å; V99-V125 HydrophobicContact CG2-CB 4.47Å; T100-V125 PolarHBondContact N-O 3.34Å; K123-V125 HydrophobicContact CG-CG2 4.47Å; V125-Y159 HydrophobicContact CB-CD1 4.42Å; V125-Y159 HydrophobicContact CG1-CD1 3.71Å; V125-Y159 HydrophobicContact CG1-CE1 4Å
126I98.1Very high94.1Very high56 Ų5663.7 Ų63.729%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-83.6120.8177.9-53.1-55.1000109.3T100 V105 Q128T100-I126 HydrophobicContact CG2-CD1 4.28Å; T100-I126 WeakPolarHBondContact O-CA 3.5Å; V105-I126 HydrophobicContact CG2-CD1 3.43Å; V105-I126 VanDerWaalsContact CG2-CD1 3.43Å; I126-Q128 PolarHBondContact O-NE2 2.94Å
127F97Very high93.5Very high2 Ų261.4 Ų61.41%0.00932%0.318CS..  trans-64.5133.1170.7-173.2-97.6000109.6V99 T100 L101 P129 L132 P148 L149 F151 A152 Y159V99-F127 HydrophobicContact CG1-CB 3.78Å; V99-F127 HydrophobicContact CG1-CD2 4Å; V99-F127 HydrophobicContact CG1-CG 4.38Å; T100-F127 PolarHBondContact O-N 3.25Å; L101-F127 HydrophobicContact CD2-CB 4.46Å; F127-P129 HydrophobicContact CD1-CG 4.42Å; F127-P129 WeakPolarHBondContact O-CD 3.46Å; F127-L132 HydrophobicContact CE1-CD1 3.96Å; F127-L132 HydrophobicContact CE1-CG 4.34Å; F127-L132 HydrophobicContact CZ-CD1 4.08Å; F127-L132 HydrophobicContact CZ-CD2 4.31Å; F127-L132 HydrophobicContact CZ-CG 4.21Å; F127-P148 HydrophobicContact CD1-CB 4.13Å; F127-P148 HydrophobicContact CE1-CB 3.74Å; F127-P148 WeakPolarHBondContact CE1-O 3.5Å; F127-P148 WeakPolarHBondContact CZ-O 3.34Å; F127-L149 HydrophobicContact CB-CD2 3.59Å; F127-L149 HydrophobicContact CG-CD2 4.03Å; F127-F151 HydrophobicContact CZ-CB 4.22Å; F127-A152 HydrophobicContact CD2-CB 4.02Å; F127-A152 HydrophobicContact CE2-CB 4.15Å; F127-Y159 WeakPolarHBondContact CD2-OH 3.41Å; F127-Y159 WeakPolarHBondContact CE2-OH 2.96Å
128Q94.8Very high92.5Very high96 Ų9670.6 Ų70.645%0.44936%0.358SS..  trans-98.1103.2178-59-58.2-5800108.9I126 E130 L131I126-Q128 PolarHBondContact O-NE2 2.94Å; Q128-E130 VanDerWaalsContact C-OE2 3.26Å; Q128-E130 WeakPolarHBondContact CA-OE2 3.18Å; Q128-E130 WeakPolarHBondContact CB-OE2 3.35Å; Q128-E130 PolarHBondContact O-N 3.01Å; Q128-E130 VanDerWaalsContact O-N 3.11Å; Q128-L131 HydrophobicContact CB-CD1 4.32Å; Q128-L131 HydrophobicContact CB-CG 4.2Å; Q128-L131 WeakPolarHBondContact O-CB 3.31Å; Q128-L131 WeakPolarHBondContact O-CG 3.49Å; Q128-L131 PolarHBondContact O-N 2.97Å; Q128-L131 VanDerWaalsContact O-N 3.11Å
129P91.1Very high91.5Very high54 Ų5467.6 Ų67.635%0.35135%0.348SS..G310 helixtrans-59.8-22.4-178.3-23.136.1000113.6F127 L131 L132F127-P129 HydrophobicContact CD1-CG 4.42Å; F127-P129 WeakPolarHBondContact O-CD 3.46Å; P129-L131 PolarHBondContact O-N 3.38Å; P129-L131 VanDerWaalsContact O-N 3.14Å; P129-L132 WeakPolarHBondContact O-CB 3.29Å; P129-L132 PolarHBondContact O-N 3.41Å
130E91.6Very high90.3Very high110 Ų11065.6 Ų65.651%0.51434%0.342SS..G310 helixtrans-59.9-24.2177.4-57.772.3-156.300112.1Q128 L132 N133Q128-E130 VanDerWaalsContact C-OE2 3.26Å; Q128-E130 WeakPolarHBondContact CA-OE2 3.18Å; Q128-E130 WeakPolarHBondContact CB-OE2 3.35Å; Q128-E130 PolarHBondContact O-N 3.01Å; Q128-E130 VanDerWaalsContact O-N 3.11Å; E130-L132 PolarHBondContact O-N 3.2Å; E130-L132 VanDerWaalsContact O-N 3.09Å; E130-N133 WeakPolarHBondContact O-CB 3.5Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 VanDerWaalsContact O-N 3.12Å
131L92.5Very high89Confident37 Ų3772.3 Ų72.319%0.19437%0.37CS..G310 helixtrans-57.8-21.1171.9-68.5174.4000112.5Q128 P129 K135 Y155 M158Q128-L131 HydrophobicContact CB-CD1 4.32Å; Q128-L131 HydrophobicContact CB-CG 4.2Å; Q128-L131 WeakPolarHBondContact O-CB 3.31Å; Q128-L131 WeakPolarHBondContact O-CG 3.49Å; Q128-L131 PolarHBondContact O-N 2.97Å; Q128-L131 VanDerWaalsContact O-N 3.11Å; P129-L131 PolarHBondContact O-N 3.38Å; P129-L131 VanDerWaalsContact O-N 3.14Å; L131-K135 VanDerWaalsContact O-CD 3.32Å; L131-K135 WeakPolarHBondContact O-CD 3.24Å; L131-K135 WeakPolarHBondContact O-CE 3.39Å; L131-K135 PolarHBondContact O-NZ 3.31Å; L131-Y155 HydrophobicContact CB-CE1 4.48Å; L131-Y155 HydrophobicContact CB-CE2 4.42Å; L131-Y155 HydrophobicContact CD1-CD1 4.32Å; L131-Y155 HydrophobicContact CD1-CD2 4.37Å; L131-Y155 HydrophobicContact CD1-CE1 4.31Å; L131-Y155 HydrophobicContact CD1-CE2 4.36Å; L131-Y155 HydrophobicContact CD1-CG 4.35Å; L131-Y155 HydrophobicContact CD2-CE1 4.36Å; L131-Y155 PolarHBondContact O-OH 2.76Å; L131-M158 HydrophobicContact CD1-CE 4.36Å; L131-M158 HydrophobicContact CD1-SD 4.19Å; L131-M158 HydrophobicContact CD2-CE 4.11Å
132L92.3Very high87.6Confident16 Ų1670.4 Ų70.48%0.08436%0.364CS..G310 helixtrans-96.6-5.6-177-52.5179.1000113.1F127 P129 E130 G134 K135 I136 P148 F151 M265F127-L132 HydrophobicContact CE1-CD1 3.96Å; F127-L132 HydrophobicContact CE1-CG 4.34Å; F127-L132 HydrophobicContact CZ-CD1 4.08Å; F127-L132 HydrophobicContact CZ-CD2 4.31Å; F127-L132 HydrophobicContact CZ-CG 4.21Å; P129-L132 WeakPolarHBondContact O-CB 3.29Å; P129-L132 PolarHBondContact O-N 3.41Å; E130-L132 PolarHBondContact O-N 3.2Å; E130-L132 VanDerWaalsContact O-N 3.09Å; L132-G134 PolarHBondContact O-N 3.44Å; L132-K135 PolarHBondContact O-N 3.15Å; L132-I136 HydrophobicContact CB-CD1 3.76Å; L132-I136 HydrophobicContact CB-CG1 4.26Å; L132-I136 HydrophobicContact CD1-CD1 3.77Å; L132-I136 HydrophobicContact CD2-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 4.12Å; L132-P148 HydrophobicContact CD1-CB 3.82Å; L132-F151 HydrophobicContact CD1-CB 4.47Å; L132-F151 HydrophobicContact CD1-CD2 3.73Å; L132-F151 HydrophobicContact CD1-CE2 4.27Å; L132-F151 HydrophobicContact CD1-CG 4.25Å; L132-F151 HydrophobicContact CD2-CB 3.67Å; L132-F151 HydrophobicContact CD2-CD1 4.06Å; L132-F151 HydrophobicContact CD2-CD2 3.93Å; L132-F151 HydrophobicContact CD2-CG 3.61Å; L132-M265 HydrophobicContact CD2-CE 3.99Å
133N90.4Very high86.2Confident119 Ų11971.8 Ų71.864%0.63638%0.376SS*.THydrogen-bonded Turntrans-58.6125.6-178.2-73.9-14.6000111.4E130 K135E130-N133 WeakPolarHBondContact O-CB 3.5Å; E130-N133 PolarHBondContact O-N 2.69Å; E130-N133 VanDerWaalsContact O-N 3.12Å; N133-K135 PolarHBondContact O-N 3.01Å
134G88Confident84.5Confident56 Ų5675.4 Ų75.458%0.57739%0.394SS*.THydrogen-bonded Turntrans75.8-5.4-178.200000115.3L132L132-G134 PolarHBondContact O-N 3.44Å
135K90.9Very high82.8Confident43 Ų4376 Ų7619%0.18741%0.405CS..THydrogen-bonded Turntrans-104.1-10.9-174.8-56.3174.4-166.1158.70113.4L131 L132 N133 E262 M265L131-K135 VanDerWaalsContact O-CD 3.32Å; L131-K135 WeakPolarHBondContact O-CD 3.24Å; L131-K135 WeakPolarHBondContact O-CE 3.39Å; L131-K135 PolarHBondContact O-NZ 3.31Å; L132-K135 PolarHBondContact O-N 3.15Å; N133-K135 PolarHBondContact O-N 3.01Å; K135-E262 HydrophobicContact CD-CB 4.09Å; K135-E262 HydrophobicContact CD-CG 4.02Å; K135-E262 IonicContact NZ-OE1 3.67Å; K135-E262 PolarHBondContact NZ-OE1 3.18Å; K135-M265 HydrophobicContact CB-CB 4.02Å; K135-M265 HydrophobicContact CB-CE 3.81Å; K135-M265 CarbonylContact O-C 3.59Å; K135-M265 VanDerWaalsContact O-CB 3.28Å; K135-M265 WeakPolarHBondContact O-CB 3.44Å; K135-M265 VanDerWaalsContact O-O 3.06Å
136I85.8Confident81.2Confident30 Ų3074.5 Ų74.515%0.15440%0.397CS..SBendtrans-115.4146.3176.9-57.2-179.2000108.8L132 A146 F151 M265L132-I136 HydrophobicContact CB-CD1 3.76Å; L132-I136 HydrophobicContact CB-CG1 4.26Å; L132-I136 HydrophobicContact CD1-CD1 3.77Å; L132-I136 HydrophobicContact CD2-CD1 4.24Å; L132-I136 HydrophobicContact CG-CD1 4.12Å; I136-A146 HydrophobicContact CD1-CB 4.17Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; I136-F151 HydrophobicContact CD1-CD2 4.13Å; I136-F151 HydrophobicContact CD1-CE1 4.29Å; I136-F151 HydrophobicContact CD1-CE2 3.37Å; I136-F151 HydrophobicContact CD1-CZ 3.45Å; I136-F151 VanDerWaalsContact CD1-CZ 3.45Å; I136-F151 HydrophobicContact CG1-CE2 4.4Å; I136-F151 HydrophobicContact CG1-CZ 4Å; I136-M265 HydrophobicContact CG1-CE 4.08Å
137S79.6Confident80.6Confident36 Ų3676.6 Ų76.625%0.25240%0.404SS..  trans-55.3140.6174.1-179.40000110.7D139S137-D139 PolarHBondContact O-N 2.63Å; S137-D139 WeakPolarHBondContact OG-CB 3.23Å; S137-D139 PolarHBondContact OG-N 3.14Å; S137-D139 VanDerWaalsContact OG-N 3.17Å
138K76.1Confident80.2Confident196 Ų19678.8 Ų78.885%0.85242%0.418SS*.  trans-800.1173.7-63.7-177-179.6179.20112.7P140K138-P140 WeakPolarHBondContact O-CD 3.42Å
139D75.6Confident80Confident73 Ų7374.7 Ų74.739%0.3940%0.4SS..  trans-58.9122.9172.8-174.6-46.9000109.4S137 K141 M142 L143S137-D139 PolarHBondContact O-N 2.63Å; S137-D139 WeakPolarHBondContact OG-CB 3.23Å; S137-D139 PolarHBondContact OG-N 3.14Å; S137-D139 VanDerWaalsContact OG-N 3.17Å; D139-K141 PolarHBondContact O-N 2.87Å; D139-K141 WeakPolarHBondContact OD1-CB 3.37Å; D139-K141 PolarHBondContact OD1-N 2.95Å; D139-M142 HydrophobicContact CB-CB 4.09Å; D139-M142 HydrophobicContact CB-CG 3.95Å; D139-M142 PolarHBondContact O-N 2.68Å; D139-L143 PolarHBondContact O-N 3.12Å
140P68.4Low80Confident89 Ų8973.9 Ų73.958%0.57839%0.394SS*.Hα-helixtrans-53.8-37.8-179.3-27.435.1000113.9K138 M142 L143 E144K138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-M142 VanDerWaalsContact C-N 3.35Å; P140-L143 PolarHBondContact O-N 3.23Å; P140-E144 WeakPolarHBondContact O-CG 3.36Å; P140-E144 PolarHBondContact O-N 3.31Å
141K68.1Low80.1Confident158 Ų15868.9 Ų68.969%0.68737%0.37SS*.Hα-helixtrans-67.9-37.8178.9-63.9179178.7177.90111.6D139 A145D139-K141 PolarHBondContact O-N 2.87Å; D139-K141 WeakPolarHBondContact OD1-CB 3.37Å; D139-K141 PolarHBondContact OD1-N 2.95Å; K141-A145 WeakPolarHBondContact O-CB 3.39Å; K141-A145 PolarHBondContact O-N 3.12Å; K141-A145 VanDerWaalsContact O-N 3.14Å
142M67.4Low80.3Confident61 Ų6167.1 Ų67.130%0.336%0.361SS..Hα-helixtrans-71.5-34.2176.2-66.8-64.3115.200111.5D139 P140 A145 A146D139-M142 HydrophobicContact CB-CB 4.09Å; D139-M142 HydrophobicContact CB-CG 3.95Å; D139-M142 PolarHBondContact O-N 2.68Å; P140-M142 VanDerWaalsContact C-N 3.35Å; M142-A145 PolarHBondContact O-N 3.01Å; M142-A146 WeakPolarHBondContact O-CB 3.34Å; M142-A146 PolarHBondContact O-N 3.48Å
143L67.6Low80.5Confident108 Ų10867 Ų6757%0.56536%0.359SS*.Hα-helixtrans-70.8-40.6177.8-16667.2000112.1D139 P140 A145 A146D139-L143 PolarHBondContact O-N 3.12Å; P140-L143 PolarHBondContact O-N 3.23Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A146 PolarHBondContact O-N 3.48Å
144E63.3Low80.9Confident164 Ų16461.3 Ų61.377%0.76633%0.329SS*.Hα-helixtrans-63.3-38.3172.5-74.8177.2-178.800112P140 A146P140-E144 WeakPolarHBondContact O-CG 3.36Å; P140-E144 PolarHBondContact O-N 3.31Å; E144-A146 VanDerWaalsContact C-N 3.33Å
145A62.3Low81.3Confident53 Ų5358.7 Ų58.744%0.43830%0.302SS..Hα-helixtrans-71.4-28.5174.300000112.7K141 M142 L143 K147K141-A145 WeakPolarHBondContact O-CB 3.39Å; K141-A145 PolarHBondContact O-N 3.12Å; K141-A145 VanDerWaalsContact O-N 3.14Å; M142-A145 PolarHBondContact O-N 3.01Å; L143-A145 VanDerWaalsContact C-N 3.32Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 2.93Å
146A65.4Low81.7Confident8 Ų856.7 Ų56.77%0.06629%0.293CS..  trans-76.878.5-178.700000112I136 M142 L143 E144 P148 F151 I282I136-A146 HydrophobicContact CD1-CB 4.17Å; I136-A146 HydrophobicContact CG2-CB 4.09Å; M142-A146 WeakPolarHBondContact O-CB 3.34Å; M142-A146 PolarHBondContact O-N 3.48Å; L143-A146 PolarHBondContact O-N 3.48Å; E144-A146 VanDerWaalsContact C-N 3.33Å; A146-P148 WeakPolarHBondContact O-CD 3.26Å; A146-P148 VanDerWaalsContact O-N 3.17Å; A146-F151 HydrophobicContact CB-CE2 4.33Å; A146-I282 VanDerWaalsContact CA-CD1 3.46Å; A146-I282 HydrophobicContact CB-CD1 3.39Å
147K84Confident82.2Confident100 Ų10056.1 Ų56.144%0.43529%0.291SS..  trans-63.2111.2166-67.1-168.4177.7-162.40109.1D74 A145 L149 T150D74-K147 IonicContact OD2-NZ 3.87Å; A145-K147 VanDerWaalsContact C-N 3.33Å; A145-K147 PolarHBondContact O-N 2.93Å; K147-L149 VanDerWaalsContact C-N 3.28Å; K147-L149 PolarHBondContact O-N 3.28Å; K147-L149 VanDerWaalsContact O-N 3.14Å; K147-T150 HydrophobicContact CB-CG2 3.89Å; K147-T150 WeakPolarHBondContact O-CB 3.47Å; K147-T150 WeakPolarHBondContact O-CG2 3.41Å; K147-T150 PolarHBondContact O-N 2.94Å; K147-T150 PolarHBondContact O-OG1 3.21Å
148P88.3Confident83Confident47 Ų4759.8 Ų59.831%0.30531%0.306SS..G310 helixtrans-57.5-37.8-168.2-2937000114.2F127 L132 A146 T150 F151F127-P148 HydrophobicContact CD1-CB 4.13Å; F127-P148 HydrophobicContact CE1-CB 3.74Å; F127-P148 WeakPolarHBondContact CE1-O 3.5Å; F127-P148 WeakPolarHBondContact CZ-O 3.34Å; L132-P148 HydrophobicContact CD1-CB 3.82Å; A146-P148 WeakPolarHBondContact O-CD 3.26Å; A146-P148 VanDerWaalsContact O-N 3.17Å; P148-T150 PolarHBondContact O-N 2.92Å; P148-T150 VanDerWaalsContact O-N 3.12Å; P148-F151 WeakPolarHBondContact O-CB 3.42Å; P148-F151 PolarHBondContact O-N 3Å
149L92.1Very high84.1Confident11 Ų1151 Ų516%0.05827%0.267CS..G310 helixtrans-59.2-26.1179.7-72.2173.1000113.6A71 V99 L101 F127 K147 F151 A152A71-L149 VanDerWaalsContact O-CD1 3.29Å; A71-L149 WeakPolarHBondContact O-CD1 3.49Å; V99-L149 HydrophobicContact CG1-CD2 4.23Å; L101-L149 HydrophobicContact CD1-CD1 4.49Å; L101-L149 HydrophobicContact CD2-CD2 4.44Å; L101-L149 HydrophobicContact CG-CD1 4.17Å; L101-L149 HydrophobicContact CG-CD2 4.37Å; L101-L149 HydrophobicContact CG-CG 4.25Å; F127-L149 HydrophobicContact CB-CD2 3.59Å; F127-L149 HydrophobicContact CG-CD2 4.03Å; K147-L149 VanDerWaalsContact C-N 3.28Å; K147-L149 PolarHBondContact O-N 3.28Å; K147-L149 VanDerWaalsContact O-N 3.14Å; L149-F151 PolarHBondContact O-N 3.14Å; L149-F151 VanDerWaalsContact O-N 3.15Å; L149-A152 WeakPolarHBondContact O-CB 3.26Å; L149-A152 PolarHBondContact O-N 2.93Å
150T90.3Very high85.1Confident37 Ų3747.8 Ų47.823%0.22725%0.25CS..G310 helixtrans-63.4-21.6177.464.70000112.7K147 P148 A152 R153K147-T150 HydrophobicContact CB-CG2 3.89Å; K147-T150 WeakPolarHBondContact O-CB 3.47Å; K147-T150 WeakPolarHBondContact O-CG2 3.41Å; K147-T150 PolarHBondContact O-N 2.94Å; K147-T150 PolarHBondContact O-OG1 3.21Å; P148-T150 PolarHBondContact O-N 2.92Å; P148-T150 VanDerWaalsContact O-N 3.12Å; T150-A152 VanDerWaalsContact C-N 3.34Å; T150-R153 WeakPolarHBondContact O-CG 3.3Å; T150-R153 PolarHBondContact O-NE 3.17Å; T150-R153 PolarHBondContact O-NH1 3.47Å
151F94.5Very high86.2Confident4 Ų447.7 Ų47.72%0.01825%0.252CS..G310 helixtrans-81.6-10.8175.6-67.6-85.4000113.4F127 L132 I136 A146 P148 L149 R153 F154 Y155 M265 I282 T283F127-F151 HydrophobicContact CZ-CB 4.22Å; L132-F151 HydrophobicContact CD1-CB 4.47Å; L132-F151 HydrophobicContact CD1-CD2 3.73Å; L132-F151 HydrophobicContact CD1-CE2 4.27Å; L132-F151 HydrophobicContact CD1-CG 4.25Å; L132-F151 HydrophobicContact CD2-CB 3.67Å; L132-F151 HydrophobicContact CD2-CD1 4.06Å; L132-F151 HydrophobicContact CD2-CD2 3.93Å; L132-F151 HydrophobicContact CD2-CG 3.61Å; I136-F151 HydrophobicContact CD1-CD2 4.13Å; I136-F151 HydrophobicContact CD1-CE1 4.29Å; I136-F151 HydrophobicContact CD1-CE2 3.37Å; I136-F151 HydrophobicContact CD1-CZ 3.45Å; I136-F151 VanDerWaalsContact CD1-CZ 3.45Å; I136-F151 HydrophobicContact CG1-CE2 4.4Å; I136-F151 HydrophobicContact CG1-CZ 4Å; A146-F151 HydrophobicContact CB-CE2 4.33Å; P148-F151 WeakPolarHBondContact O-CB 3.42Å; P148-F151 PolarHBondContact O-N 3Å; L149-F151 PolarHBondContact O-N 3.14Å; L149-F151 VanDerWaalsContact O-N 3.15Å; F151-R153 PolarHBondContact O-N 3.16Å; F151-R153 VanDerWaalsContact O-N 3.08Å; F151-F154 HydrophobicContact CD1-CD2 4.02Å; F151-F154 AromaticContact CD1-CE2 3.8Å; F151-F154 HydrophobicContact CD1-CE2 3.8Å; F151-F154 HydrophobicContact CD1-CZ 4.42Å; F151-F154 HydrophobicContact CE1-CE2 4.19Å; F151-F154 WeakPolarHBondContact O-CB 3.45Å; F151-F154 PolarHBondContact O-N 3.4Å; F151-Y155 HydrophobicContact CB-CE2 4.45Å; F151-Y155 VanDerWaalsContact O-CD2 3.28Å; F151-Y155 WeakPolarHBondContact O-CD2 3.4Å; F151-M265 HydrophobicContact CD1-CE 3.42Å; F151-M265 VanDerWaalsContact CD1-CE 3.42Å; F151-M265 HydrophobicContact CD1-SD 3.94Å; F151-M265 HydrophobicContact CE1-CE 3.25Å; F151-M265 HydrophobicContact CE1-SD 3.99Å; F151-M265 HydrophobicContact CG-CE 4.38Å; F151-M265 HydrophobicContact CZ-CE 4.09Å; F151-I282 HydrophobicContact CE2-CD1 3.66Å; F151-I282 HydrophobicContact CE2-CG1 4.27Å; F151-I282 HydrophobicContact CZ-CD1 3.4Å; F151-I282 HydrophobicContact CZ-CG1 3.72Å; F151-T283 HydrophobicContact CD1-CG2 3.78Å; F151-T283 HydrophobicContact CD2-CG2 4.42Å; F151-T283 HydrophobicContact CE1-CG2 3.69Å; F151-T283 HydrophobicContact CE2-CG2 4.35Å; F151-T283 HydrophobicContact CG-CG2 4.17Å; F151-T283 HydrophobicContact CZ-CG2 4.01Å
152A96.2Very high87.3Confident0 Ų044 Ų440%026%0.258CS..G310 helixtrans-54.5-33.3-179.800000112.5T70 V99 F127 L149 T150 F154 Y155 Y159T70-A152 HydrophobicContact CG2-CB 3.71Å; V99-A152 HydrophobicContact CB-CB 4.28Å; V99-A152 HydrophobicContact CG1-CB 3.86Å; F127-A152 HydrophobicContact CD2-CB 4.02Å; F127-A152 HydrophobicContact CE2-CB 4.15Å; L149-A152 WeakPolarHBondContact O-CB 3.26Å; L149-A152 PolarHBondContact O-N 2.93Å; T150-A152 VanDerWaalsContact C-N 3.34Å; A152-F154 PolarHBondContact O-N 2.99Å; A152-F154 VanDerWaalsContact O-N 3.14Å; A152-Y155 PolarHBondContact O-N 3.27Å; A152-Y159 HydrophobicContact CB-CE2 3.96Å; A152-Y159 WeakPolarHBondContact O-CE2 3.48Å
153R96.3Very high88.7Confident14 Ų1443.4 Ų43.45%0.05326%0.258CS..G310 helixtrans-60-21.9176.469-172.969.8116.2-17.8114.6T150 F151 Y155 L156 Y168 D170 I245 T283T150-R153 WeakPolarHBondContact O-CG 3.3Å; T150-R153 PolarHBondContact O-NE 3.17Å; T150-R153 PolarHBondContact O-NH1 3.47Å; F151-R153 PolarHBondContact O-N 3.16Å; F151-R153 VanDerWaalsContact O-N 3.08Å; R153-Y155 VanDerWaalsContact C-N 3.29Å; R153-L156 WeakPolarHBondContact O-CD1 3.49Å; R153-L156 WeakPolarHBondContact O-CG 3.23Å; R153-Y168 HydrophobicContact CB-CD1 4.21Å; R153-Y168 HydrophobicContact CB-CD2 3.75Å; R153-Y168 HydrophobicContact CB-CE1 4.06Å; R153-Y168 HydrophobicContact CB-CE2 3.56Å; R153-Y168 HydrophobicContact CB-CG 4.08Å; R153-Y168 PolarHBondContact NE-OH 3.46Å; R153-Y168 VanDerWaalsContact NE-OH 3.17Å; R153-Y168 PolarHBondContact NH2-OH 3.29Å; R153-D170 IonicContact CZ-OD1 2.74Å; R153-D170 IonicContact NE-OD1 2.63Å; R153-D170 IonicContact NH2-OD1 3.44Å; R153-D170 PolarHBondContact NH2-OD1 3.49Å; R153-D170 IonicContact NH2-OD2 2.84Å; R153-I245 HydrophobicContact CB-CD1 4.26Å; R153-T283 PolarHBondContact NH1-OG1 2.76Å
154F97.9Very high90Very high0 Ų044 Ų440%026%0.257CS..G310 helixtrans-76.8-20.3176.9-65.92.2000112.6F151 A152 T258 L261 M265 T283 P286 L287F151-F154 HydrophobicContact CD1-CD2 4.02Å; F151-F154 AromaticContact CD1-CE2 3.8Å; F151-F154 HydrophobicContact CD1-CE2 3.8Å; F151-F154 HydrophobicContact CD1-CZ 4.42Å; F151-F154 HydrophobicContact CE1-CE2 4.19Å; F151-F154 WeakPolarHBondContact O-CB 3.45Å; F151-F154 PolarHBondContact O-N 3.4Å; A152-F154 PolarHBondContact O-N 2.99Å; A152-F154 VanDerWaalsContact O-N 3.14Å; F154-T258 WeakPolarHBondContact O-CB 3.18Å; F154-T258 WeakPolarHBondContact O-CG2 3.45Å; F154-T258 PolarHBondContact O-OG1 2.96Å; F154-L261 HydrophobicContact CB-CD1 3.93Å; F154-L261 HydrophobicContact CD1-CD1 3.88Å; F154-L261 HydrophobicContact CD2-CB 3.99Å; F154-L261 HydrophobicContact CD2-CD1 4.37Å; F154-L261 HydrophobicContact CE2-CB 4.32Å; F154-L261 HydrophobicContact CG-CB 4.27Å; F154-L261 HydrophobicContact CG-CD1 3.82Å; F154-M265 HydrophobicContact CD2-SD 3.52Å; F154-M265 VanDerWaalsContact CD2-SD 3.52Å; F154-M265 HydrophobicContact CE2-CG 3.96Å; F154-M265 HydrophobicContact CE2-SD 3.41Å; F154-M265 WeakPolarHBondContact CE2-SD 3.22Å; F154-T283 HydrophobicContact CZ-CG2 4.17Å; F154-T283 VanDerWaalsContact CZ-O 3.24Å; F154-T283 WeakPolarHBondContact CZ-O 3.5Å; F154-P286 HydrophobicContact CE2-CB 4.3Å; F154-P286 HydrophobicContact CE2-CG 4.18Å; F154-P286 HydrophobicContact CZ-CB 4.17Å; F154-P286 HydrophobicContact CZ-CG 4.05Å; F154-L287 HydrophobicContact CD1-CD1 4.46Å; F154-L287 HydrophobicContact CD1-CD2 4.22Å; F154-L287 HydrophobicContact CD1-CG 4.33Å; F154-L287 HydrophobicContact CE1-CD1 3.68Å; F154-L287 HydrophobicContact CE1-CD2 3.99Å; F154-L287 HydrophobicContact CE1-CG 3.61Å; F154-L287 HydrophobicContact CZ-CG 4.27Å
155Y97.9Very high91.7Very high1 Ų137.7 Ų37.70%0.00423%0.228CC..G310 helixtrans-110.625.5-173.4-55-84.3000111.8L131 F151 A152 R153 M158 Y159 T258 E262L131-Y155 HydrophobicContact CB-CE1 4.48Å; L131-Y155 HydrophobicContact CB-CE2 4.42Å; L131-Y155 HydrophobicContact CD1-CD1 4.32Å; L131-Y155 HydrophobicContact CD1-CD2 4.37Å; L131-Y155 HydrophobicContact CD1-CE1 4.31Å; L131-Y155 HydrophobicContact CD1-CE2 4.36Å; L131-Y155 HydrophobicContact CD1-CG 4.35Å; L131-Y155 HydrophobicContact CD2-CE1 4.36Å; L131-Y155 PolarHBondContact O-OH 2.76Å; F151-Y155 HydrophobicContact CB-CE2 4.45Å; F151-Y155 VanDerWaalsContact O-CD2 3.28Å; F151-Y155 WeakPolarHBondContact O-CD2 3.4Å; A152-Y155 PolarHBondContact O-N 3.27Å; R153-Y155 VanDerWaalsContact C-N 3.29Å; Y155-M158 HydrophobicContact CD1-CE 3.92Å; Y155-M158 WeakPolarHBondContact O-CA 3.23Å; Y155-M158 VanDerWaalsContact O-CB 3.23Å; Y155-M158 WeakPolarHBondContact O-CB 3.43Å; Y155-M158 PolarHBondContact O-N 2.89Å; Y155-Y159 VanDerWaalsContact O-CD2 3.32Å; Y155-Y159 WeakPolarHBondContact O-CD2 3.34Å; Y155-Y159 PolarHBondContact O-N 3.09Å; Y155-T258 HydrophobicContact CD1-CG2 3.56Å; Y155-T258 HydrophobicContact CE1-CG2 3.75Å; Y155-T258 HydrophobicContact CG-CG2 4.43Å; Y155-E262 HydrophobicContact CE1-CG 4.4Å; Y155-E262 VanDerWaalsContact CE1-OE1 3.3Å; Y155-E262 WeakPolarHBondContact CE1-OE1 3.04Å; Y155-E262 PolarHBondContact OH-OE1 2.95Å
156L97.8Very high93.4Very high0 Ų035.1 Ų35.10%021%0.207CC..Hα-helixtrans-45.6-49.4-179.7-84.6164.1000113.9L68 R153 M158 Y159 I160 Y168 A247 L249 W252L68-L156 HydrophobicContact CB-CD2 3.8Å; L68-L156 HydrophobicContact CD1-CD2 3.78Å; L68-L156 HydrophobicContact CG-CD2 4.25Å; R153-L156 WeakPolarHBondContact O-CD1 3.49Å; R153-L156 WeakPolarHBondContact O-CG 3.23Å; L156-M158 PolarHBondContact O-N 3.33Å; L156-Y159 PolarHBondContact O-N 2.96Å; L156-I160 PolarHBondContact O-N 2.85Å; L156-Y168 HydrophobicContact CD2-CD2 4.37Å; L156-A247 HydrophobicContact CD1-CB 3.99Å; L156-L249 HydrophobicContact CB-CD2 3.91Å; L156-W252 HydrophobicContact CD1-CH2 4.5Å
157P97.3Very high95Very high18 Ų1834.8 Ų34.812%0.11720%0.204CC..Hα-helixtrans-68-17.3179.7-17.430000115I160 L249 W252 K253P157-I160 CarbonylContact C-O 3.6Å; P157-L249 HydrophobicContact CG-CD2 4.16Å; P157-W252 HydrophobicContact CG-CB 4.11Å; P157-W252 HydrophobicContact CG-CG 3.78Å; P157-K253 HydrophobicContact CB-CD 3.96Å; P157-K253 HydrophobicContact CB-CG 3.72Å; P157-K253 HydrophobicContact CG-CG 4.11Å
158M96.8Very high95.7Very high113 Ų11330 Ų3056%0.55718%0.183SC*.Hα-helixtrans-75.2-40.6175.1-176.3-171.4-7000110.6L131 Y155 L156L131-M158 HydrophobicContact CD1-CE 4.36Å; L131-M158 HydrophobicContact CD1-SD 4.19Å; L131-M158 HydrophobicContact CD2-CE 4.11Å; Y155-M158 HydrophobicContact CD1-CE 3.92Å; Y155-M158 WeakPolarHBondContact O-CA 3.23Å; Y155-M158 VanDerWaalsContact O-CB 3.23Å; Y155-M158 WeakPolarHBondContact O-CB 3.43Å; Y155-M158 PolarHBondContact O-N 2.89Å; L156-M158 PolarHBondContact O-N 3.33Å
159Y97.8Very high96.2Very high12 Ų1227.9 Ų27.95%0.04717%0.169CC..Hα-helixtrans-82.8-31.1-178.2-57.9-50.8000112.8L68 V99 K123 V125 F127 A152 Y155 L156L68-Y159 HydrophobicContact CD1-CD2 3.62Å; L68-Y159 HydrophobicContact CD1-CG 3.97Å; V99-Y159 HydrophobicContact CG1-CE1 4.38Å; V99-Y159 HydrophobicContact CG1-CE2 4.34Å; V99-Y159 HydrophobicContact CG2-CD1 4.11Å; V99-Y159 HydrophobicContact CG2-CD2 3.86Å; V99-Y159 HydrophobicContact CG2-CE1 4.37Å; V99-Y159 HydrophobicContact CG2-CE2 4.13Å; V99-Y159 HydrophobicContact CG2-CG 3.84Å; K123-Y159 WeakPolarHBondContact CE-O 3.29Å; K123-Y159 PolarHBondContact NZ-O 2.94Å; V125-Y159 HydrophobicContact CB-CD1 4.42Å; V125-Y159 HydrophobicContact CG1-CD1 3.71Å; V125-Y159 HydrophobicContact CG1-CE1 4Å; F127-Y159 WeakPolarHBondContact CD2-OH 3.41Å; F127-Y159 WeakPolarHBondContact CE2-OH 2.96Å; A152-Y159 HydrophobicContact CB-CE2 3.96Å; A152-Y159 WeakPolarHBondContact O-CE2 3.48Å; Y155-Y159 VanDerWaalsContact O-CD2 3.32Å; Y155-Y159 WeakPolarHBondContact O-CD2 3.34Å; Y155-Y159 PolarHBondContact O-N 3.09Å; L156-Y159 PolarHBondContact O-N 2.96Å
160I96.6Very high96.4Very high6 Ų628.4 Ų28.43%0.03117%0.172CC..SBendtrans-123.5104.9-179.2-57.1174.3000107.9P66 L68 T97 L156 P157 V163 A166 L249P66-I160 HydrophobicContact CB-CD1 4.29Å; P66-I160 HydrophobicContact CB-CG2 3.91Å; P66-I160 HydrophobicContact CG-CG2 4.29Å; L68-I160 HydrophobicContact CB-CD1 3.87Å; L68-I160 HydrophobicContact CD1-CD1 4.24Å; L68-I160 HydrophobicContact CD1-CG1 4.44Å; T97-I160 HydrophobicContact CG2-CG1 4.25Å; L156-I160 PolarHBondContact O-N 2.85Å; P157-I160 CarbonylContact C-O 3.6Å; I160-V163 HydrophobicContact CG2-CG2 3.43Å; I160-V163 VanDerWaalsContact CG2-CG2 3.43Å; I160-A166 HydrophobicContact CD1-CB 3.88Å; I160-A166 HydrophobicContact CG2-CB 4.33Å; I160-L249 HydrophobicContact CB-CD1 3.92Å; I160-L249 HydrophobicContact CG2-CD1 3.81Å; I160-L249 VanDerWaalsContact O-CD1 3.31Å; I160-L249 WeakPolarHBondContact O-CD1 3.39Å
161S92.3Very high96.7Very high87 Ų8726.9 Ų26.961%0.60816%0.162SC*.  trans-110.6160.5-179.962.10000111.2V163S161-V163 VanDerWaalsContact C-N 3.27Å; S161-V163 PolarHBondContact O-N 3.27Å
162G91.6Very high96.8Very high80 Ų8027 Ų2783%0.82516%0.163SC*.SBendtrans75.14.5173.900000116.4
163V95.7Very high96.9Very high49 Ų4927 Ų2730%0.29716%0.163SC..  trans-122.9152.3178.2-54.50000111P66 I160 S161 L249P66-V163 HydrophobicContact CG-CG2 3.94Å; I160-V163 HydrophobicContact CG2-CG2 3.43Å; I160-V163 VanDerWaalsContact CG2-CG2 3.43Å; S161-V163 VanDerWaalsContact C-N 3.27Å; S161-V163 PolarHBondContact O-N 3.27Å; V163-L249 HydrophobicContact CG2-CD1 3.75Å
164E96.4Very high97Very high119 Ų11926.3 Ų26.356%0.55616%0.161SC*.SBendtrans-77.1-42.2179.7-172.7-173.4160.600112.2N248 L249E164-N248 CarbonylContact O-C 3.15Å; E164-N248 WeakPolarHBondContact O-CA 3.41Å; E164-N248 PolarHBondContact O-OD1 3.04Å; E164-N248 PolarHBondContact OE1-ND2 2.83Å; E164-L249 PolarHBondContact O-N 3.49Å
165K97.3Very high97.1Very high32 Ų3226.3 Ų26.314%0.13916%0.161CC..EExtended strand (participates in β ladder)trans-132.2146-172.2-165.3-169.9-65.1-175.20111.3P66 Y183 I185 V246 A247P66-K165 WeakPolarHBondContact CG-O 3.28Å; K165-Y183 HydrophobicContact CB-CE2 3.79Å; K165-Y183 HydrophobicContact CD-CD2 4.1Å; K165-Y183 HydrophobicContact CD-CE2 4.01Å; K165-Y183 HydrophobicContact CD-CG 4.49Å; K165-Y183 WeakPolarHBondContact CD-O 3.4Å; K165-Y183 WeakPolarHBondContact CE-O 3.42Å; K165-Y183 HydrophobicContact CG-CD2 4.36Å; K165-Y183 HydrophobicContact CG-CE2 3.92Å; K165-Y183 PolarHBondContact NZ-O 2.96Å; K165-Y183 VanDerWaalsContact O-CE2 3.31Å; K165-Y183 WeakPolarHBondContact O-CE2 3.18Å; K165-Y183 PolarHBondContact O-OH 3.36Å; K165-Y183 VanDerWaalsContact O-OH 3.05Å; K165-I185 PolarHBondContact NZ-O 2.99Å; K165-V246 HydrophobicContact CD-CG1 3.68Å; K165-V246 HydrophobicContact CG-CG1 4Å; K165-A247 CarbonylContact C-O 3.5Å; K165-A247 WeakPolarHBondContact CA-O 2.92Å; K165-A247 VanDerWaalsContact CG-O 3.31Å; K165-A247 WeakPolarHBondContact CG-O 3.35Å
166A98.4Very high97.1Very high0 Ų028.3 Ų28.30%017%0.17CC..EExtended strand (participates in β ladder)trans-145160.717400000112P66 I160 A247 L249P66-A166 HydrophobicContact CB-CB 4.36Å; P66-A166 HydrophobicContact CG-CB 3.88Å; P66-A166 WeakPolarHBondContact O-CA 3.25Å; I160-A166 HydrophobicContact CD1-CB 3.88Å; I160-A166 HydrophobicContact CG2-CB 4.33Å; A166-A247 PolarHBondContact N-O 3.03Å; A166-A247 PolarHBondContact O-N 3.42Å; A166-L249 HydrophobicContact CB-CD1 3.84Å; A166-L249 HydrophobicContact CB-CD2 4.37Å; A166-L249 HydrophobicContact CB-CG 4.17Å
167I98.8Very high97.1Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans-108.1136.1173.9-61170.9000109.1I65 P66 V67 L68 L169 I179 L182 Y183 I245 V246I65-I167 HydrophobicContact CG2-CD1 4.16Å; P66-I167 PolarHBondContact O-N 2.74Å; V67-I167 CarbonylContact C-O 3.59Å; V67-I167 WeakPolarHBondContact CA-O 3.07Å; V67-I167 HydrophobicContact CG2-CB 4.38Å; L68-I167 PolarHBondContact N-O 3.35Å; I167-L169 HydrophobicContact CG2-CD2 3.82Å; I167-L169 HydrophobicContact CG2-CG 3.95Å; I167-I179 HydrophobicContact CD1-CD1 4.01Å; I167-I179 HydrophobicContact CD1-CG1 3.61Å; I167-L182 HydrophobicContact CD1-CB 4.37Å; I167-L182 HydrophobicContact CD1-CD2 4.27Å; I167-L182 HydrophobicContact CD1-CG 4.17Å; I167-L182 HydrophobicContact CG2-CD2 4.24Å; I167-Y183 HydrophobicContact CD1-CD2 4.13Å; I167-Y183 HydrophobicContact CG1-CD2 4.09Å; I167-I245 CarbonylContact C-O 3.54Å; I167-I245 VanDerWaalsContact CA-O 3.3Å; I167-I245 WeakPolarHBondContact CA-O 3.11Å; I167-V246 HydrophobicContact CG1-CG2 4.41Å
168Y98.8Very high97.1Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-105.2135.9163.9173.5-88.6000109.4L68 T70 R153 L156 D170 V244 I245L68-Y168 HydrophobicContact CB-CD2 4.31Å; L68-Y168 HydrophobicContact CD2-CD2 3.54Å; L68-Y168 HydrophobicContact CD2-CE2 3.69Å; L68-Y168 HydrophobicContact CG-CD2 4.48Å; T70-Y168 HydrophobicContact CG2-CE2 4.12Å; R153-Y168 HydrophobicContact CB-CD1 4.21Å; R153-Y168 HydrophobicContact CB-CD2 3.75Å; R153-Y168 HydrophobicContact CB-CE1 4.06Å; R153-Y168 HydrophobicContact CB-CE2 3.56Å; R153-Y168 HydrophobicContact CB-CG 4.08Å; R153-Y168 PolarHBondContact NE-OH 3.46Å; R153-Y168 VanDerWaalsContact NE-OH 3.17Å; R153-Y168 PolarHBondContact NH2-OH 3.29Å; L156-Y168 HydrophobicContact CD2-CD2 4.37Å; Y168-D170 WeakPolarHBondContact CE1-OD1 3.44Å; Y168-D170 PolarHBondContact OH-OD1 2.94Å; Y168-V244 WeakPolarHBondContact O-CA 3.29Å; Y168-I245 HydrophobicContact CD1-CD1 4.04Å; Y168-I245 HydrophobicContact CD1-CG1 3.99Å; Y168-I245 HydrophobicContact CG-CD1 4.3Å; Y168-I245 HydrophobicContact CG-CG1 4.42Å; Y168-I245 PolarHBondContact N-O 3.16Å; Y168-I245 PolarHBondContact O-N 2.7Å
169L98.8Very high97.1Very high2 Ų223.8 Ų23.81%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-126.9133.8172.8-60.6178.3000110V67 L68 V86 I167 V173 V175 I179 G243 V244 L326V67-L169 HydrophobicContact CG1-CD1 3.85Å; V67-L169 HydrophobicContact CG1-CG 4.15Å; L68-L169 PolarHBondContact O-N 3.15Å; V86-L169 HydrophobicContact CG2-CD1 3.91Å; I167-L169 HydrophobicContact CG2-CD2 3.82Å; I167-L169 HydrophobicContact CG2-CG 3.95Å; L169-V173 HydrophobicContact CB-CG2 4.2Å; L169-V173 HydrophobicContact CD1-CG2 4.38Å; L169-V175 HydrophobicContact CD1-CG2 4.12Å; L169-I179 HydrophobicContact CD1-CD1 4.07Å; L169-G243 CarbonylContact C-O 3.51Å; L169-V244 HydrophobicContact CD2-CG1 4.13Å; L169-V244 HydrophobicContact CD2-CG2 4.03Å; L169-L326 HydrophobicContact CD2-CD1 3.88Å
170D97.4Very high97.1Very high22 Ų2226.1 Ų26.112%0.11816%0.161CC..  trans-63.8158.1159.5-80.5-13.1000109.8R153 Y168 D172 V173 G243 H328R153-D170 IonicContact CZ-OD1 2.74Å; R153-D170 IonicContact NE-OD1 2.63Å; R153-D170 IonicContact NH2-OD1 3.44Å; R153-D170 PolarHBondContact NH2-OD1 3.49Å; R153-D170 IonicContact NH2-OD2 2.84Å; Y168-D170 WeakPolarHBondContact CE1-OD1 3.44Å; Y168-D170 PolarHBondContact OH-OD1 2.94Å; D170-D172 WeakPolarHBondContact CB-OD1 3.35Å; D170-V173 VanDerWaalsContact O-CG2 3.26Å; D170-V173 WeakPolarHBondContact O-CG2 3.43Å; D170-G243 VanDerWaalsContact CG-CA 3.42Å; D170-G243 PolarHBondContact N-O 3.48Å; D170-G243 WeakPolarHBondContact OD2-CA 3.38Å; D170-H328 IonicContact OD2-CE1 3.48Å; D170-H328 IonicContact OD2-NE2 3.18Å
171D96Very high97.1Very high5 Ų529.9 Ų29.93%0.02718%0.179CC..THydrogen-bonded Turntrans-82.1-13.1-173.764.5-23.9000113.9I69 R75 A78 V79 V173I69-D171 HydrophobicContact CD1-CB 4.41Å; I69-D171 HydrophobicContact CG1-CB 4.41Å; R75-D171 WeakPolarHBondContact CB-OD2 3.47Å; R75-D171 WeakPolarHBondContact CD-OD2 3.46Å; R75-D171 IonicContact CZ-OD1 3.58Å; R75-D171 IonicContact CZ-OD2 3.62Å; R75-D171 VanDerWaalsContact CZ-OD2 3.3Å; R75-D171 IonicContact NE-OD1 2.96Å; R75-D171 PolarHBondContact NE-OD1 3.23Å; R75-D171 IonicContact NE-OD2 3.47Å; R75-D171 PolarHBondContact NE-OD2 3.41Å; R75-D171 IonicContact NH1-OD1 3.05Å; R75-D171 IonicContact NH2-OD1 3.3Å; R75-D171 PolarHBondContact NH2-OD1 2.93Å; R75-D171 IonicContact NH2-OD2 2.66Å; A78-D171 CarbonylContact C-O 3.23Å; A78-D171 VanDerWaalsContact C-O 3.23Å; A78-D171 HydrophobicContact CB-CB 4.43Å; A78-D171 WeakPolarHBondContact CB-O 3.42Å; A78-D171 VanDerWaalsContact O-O 3.14Å; V79-D171 HydrophobicContact CG2-CB 3.8Å; D171-V173 VanDerWaalsContact C-N 3.28Å; D171-V173 PolarHBondContact O-N 3.49Å
172D96.9Very high97.4Very high7 Ų725.8 Ų25.84%0.03715%0.15CC..THydrogen-bonded Turntrans-93.534.9176.64810000112.9R75 D170 H328 W329 K334 W336R75-D172 VanDerWaalsContact NH2-CG 3.29Å; R75-D172 IonicContact NH2-OD1 2.7Å; R75-D172 IonicContact NH2-OD2 3.54Å; R75-D172 PolarHBondContact NH2-OD2 3.39Å; D170-D172 WeakPolarHBondContact CB-OD1 3.35Å; D172-H328 IonicContact OD1-CD2 3.69Å; D172-H328 PolarHBondContact OD1-CD2 3.02Å; D172-H328 IonicContact OD1-NE2 3.95Å; D172-H328 PolarHBondContact OD1-NE2 3.03Å; D172-W329 HydrophobicContact CB-CB 4.4Å; D172-W329 PolarHBondContact O-N 2.86Å; D172-K334 HydrophobicContact CB-CD 4.44Å; D172-K334 IonicContact OD2-NZ 3.75Å; D172-K334 PolarHBondContact OD2-NZ 3.28Å; D172-W336 HydrophobicContact CB-CH2 3.77Å; D172-W336 HydrophobicContact CB-CZ3 4.25Å
173V98.6Very high97.7Very high0 Ų024.2 Ų24.20%012%0.119CC..EExtended strand (participates in β ladder)trans-111.4153.8176.4-530000112.8A82 L169 D170 D171 V175 L326 L327 H328A82-V173 HydrophobicContact CB-CG2 3.98Å; L169-V173 HydrophobicContact CB-CG2 4.2Å; L169-V173 HydrophobicContact CD1-CG2 4.38Å; D170-V173 VanDerWaalsContact O-CG2 3.26Å; D170-V173 WeakPolarHBondContact O-CG2 3.43Å; D171-V173 VanDerWaalsContact C-N 3.28Å; D171-V173 PolarHBondContact O-N 3.49Å; V173-V175 HydrophobicContact CG2-CG2 4.39Å; V173-L326 HydrophobicContact CB-CD2 4.22Å; V173-L326 HydrophobicContact CB-CG 4.5Å; V173-L326 HydrophobicContact CG1-CD2 4.15Å; V173-L327 CarbonylContact C-O 3.53Å; V173-L327 WeakPolarHBondContact CA-O 3.39Å; V173-L327 WeakPolarHBondContact CB-O 3.29Å; V173-H328 HydrophobicContact CG1-CB 4.18Å
174V98.8Very high97.8Very high0 Ų027.1 Ų27.10%013%0.13CC..EExtended strand (participates in β ladder)trans-123.6125.1163.7168.80000107.7V81 Q176 L326 L327 W329 W346 W349V81-V174 HydrophobicContact CG1-CG2 3.71Å; V174-Q176 HydrophobicContact CG1-CG 4Å; V174-L326 WeakPolarHBondContact O-CA 3.34Å; V174-L327 HydrophobicContact CB-CB 4.33Å; V174-L327 PolarHBondContact N-O 2.97Å; V174-L327 PolarHBondContact O-N 3.23Å; V174-W329 HydrophobicContact CB-CZ3 3.97Å; V174-W329 HydrophobicContact CG2-CH2 4.2Å; V174-W329 HydrophobicContact CG2-CZ3 3.69Å; V174-W346 HydrophobicContact CG2-CG 4.43Å; V174-W349 VanDerWaalsContact CG1-CD1 3.4Å; V174-W349 HydrophobicContact CG1-CG 4.22Å; V174-W349 VanDerWaalsContact CG1-NE1 3.32Å
175V98.8Very high97.8Very high0 Ų023.1 Ų23.10%011%0.112CC..EExtended strand (participates in β ladder)trans-99.8112.3177.8-179.20000108.7S85 V86 N89 L169 V173 G177 W302 L326S85-V175 CarbonylContact C-O 3.5Å; S85-V175 WeakPolarHBondContact CB-O 3.3Å; S85-V175 PolarHBondContact OG-N 2.84Å; V86-V175 HydrophobicContact CG2-CB 3.66Å; V86-V175 HydrophobicContact CG2-CG1 4.19Å; V86-V175 HydrophobicContact CG2-CG2 3.45Å; V86-V175 VanDerWaalsContact CG2-CG2 3.45Å; N89-V175 PolarHBondContact ND2-O 2.76Å; L169-V175 HydrophobicContact CD1-CG2 4.12Å; V173-V175 HydrophobicContact CG2-CG2 4.39Å; V175-G177 WeakPolarHBondContact CG1-O 3.2Å; V175-W302 HydrophobicContact CG1-CZ3 4.02Å; V175-L326 HydrophobicContact CG2-CD1 3.91Å; V175-L326 HydrophobicContact CG2-CG 4.12Å
176Q98.4Very high97.7Very high42 Ų4228.7 Ų28.720%0.19614%0.143CC..  trans-98.7-23.5-179.1-56.8-174.6139.400112.6V174 V321 A324 K325 L327V174-Q176 HydrophobicContact CG1-CG 4Å; Q176-V321 PolarHBondContact NE2-O 3.18Å; Q176-A324 WeakPolarHBondContact CB-O 3.43Å; Q176-A324 PolarHBondContact NE2-O 2.96Å; Q176-K325 PolarHBondContact N-O 2.94Å; Q176-L327 HydrophobicContact CG-CD1 4.48Å
177G97.4Very high97.7Very high12 Ų1230.2 Ų30.212%0.12415%0.151CC..SBendtrans-91.8172.1176.400000113.5V175 I179 K325V175-G177 WeakPolarHBondContact CG1-O 3.2Å; G177-I179 PolarHBondContact O-N 3.43Å; G177-K325 PolarHBondContact N-O 3.45Å
178D97.6Very high97.7Very high23 Ų2336.1 Ų36.112%0.12318%0.177CC..  trans-75112172-171.6-3.5000110.7S90 K91 Q180 E181 W302S90-D178 VanDerWaalsContact CA-OD1 3.29Å; S90-D178 WeakPolarHBondContact CA-OD1 3.45Å; S90-D178 PolarHBondContact OG-OD1 2.91Å; K91-D178 VanDerWaalsContact CB-OD2 3.22Å; K91-D178 WeakPolarHBondContact CB-OD2 3.5Å; K91-D178 WeakPolarHBondContact CD-OD2 3.42Å; K91-D178 WeakPolarHBondContact CG-OD2 3.36Å; K91-D178 PolarHBondContact N-OD1 2.77Å; K91-D178 VanDerWaalsContact N-OD1 3.17Å; K91-D178 PolarHBondContact N-OD2 3.18Å; D178-Q180 PolarHBondContact O-N 3.44Å; D178-Q180 PolarHBondContact OD1-N 2.95Å; D178-E181 PolarHBondContact O-N 3.43Å; D178-W302 VanDerWaalsContact C-CH2 3.48Å; D178-W302 WeakPolarHBondContact O-CH2 3.06Å; D178-W302 VanDerWaalsContact O-CZ2 3.25Å; D178-W302 WeakPolarHBondContact O-CZ2 3.25Å
179I97.6Very high97.6Very high1 Ų142.3 Ų42.31%0.00522%0.217CC..Hα-helixtrans-59.6-17.4-173.9-159.1163.6000113.4I65 V67 V86 S90 V94 I167 L169 G177 E181 L182 Y183I65-I179 HydrophobicContact CD1-CG2 4.41Å; V67-I179 HydrophobicContact CG2-CD1 3.93Å; V86-I179 HydrophobicContact CG1-CB 4.49Å; V86-I179 HydrophobicContact CG1-CD1 3.86Å; V86-I179 HydrophobicContact CG1-CG2 4.19Å; V86-I179 HydrophobicContact CG2-CD1 4.01Å; S90-I179 WeakPolarHBondContact OG-CG2 3.33Å; V94-I179 HydrophobicContact CG2-CG2 3.9Å; I167-I179 HydrophobicContact CD1-CD1 4.01Å; I167-I179 HydrophobicContact CD1-CG1 3.61Å; L169-I179 HydrophobicContact CD1-CD1 4.07Å; G177-I179 PolarHBondContact O-N 3.43Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 3.1Å; I179-L182 HydrophobicContact CG1-CB 4.46Å; I179-L182 HydrophobicContact CG1-CD2 4.49Å; I179-L182 WeakPolarHBondContact O-CB 3.37Å; I179-L182 PolarHBondContact O-N 2.7Å; I179-L182 VanDerWaalsContact O-N 3.15Å; I179-Y183 PolarHBondContact O-N 3.31Å
180Q97.1Very high97.5Very high62 Ų6244 Ų4429%0.2923%0.234SC..Hα-helixtrans-55.7-41.1171.7-176.4167.97.500112.4I65 A92 D178 L182 Y183 E184I65-Q180 HydrophobicContact CD1-CB 3.84Å; I65-Q180 HydrophobicContact CD1-CG 4.15Å; A92-Q180 HydrophobicContact CB-CB 4.08Å; D178-Q180 PolarHBondContact O-N 3.44Å; D178-Q180 PolarHBondContact OD1-N 2.95Å; Q180-L182 VanDerWaalsContact C-N 3.27Å; Q180-L182 PolarHBondContact O-N 2.61Å; Q180-Y183 WeakPolarHBondContact O-CB 3.1Å; Q180-Y183 PolarHBondContact O-N 2.64Å; Q180-Y183 VanDerWaalsContact O-N 3.09Å; Q180-E184 HydrophobicContact CG-CG 4.19Å; Q180-E184 VanDerWaalsContact CG-OE1 3.29Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.43Å; Q180-E184 PolarHBondContact NE2-OE1 3.06Å; Q180-E184 WeakPolarHBondContact O-CB 3.38Å; Q180-E184 WeakPolarHBondContact O-CG 3.45Å; Q180-E184 PolarHBondContact O-N 3.48Å
181E97.4Very high97.5Very high85 Ų8544.3 Ų44.340%0.39724%0.235SC..Hα-helixtrans-65.6-33.6179.3-51.3174.5-171.200112.1D178 I179 I185 W302 K325D178-E181 PolarHBondContact O-N 3.43Å; I179-E181 VanDerWaalsContact C-N 3.26Å; I179-E181 PolarHBondContact O-N 3.1Å; E181-I185 WeakPolarHBondContact O-CG2 3.22Å; E181-W302 HydrophobicContact CB-CZ2 3.78Å; E181-W302 HydrophobicContact CG-CZ2 4.35Å; E181-K325 IonicContact OE1-NZ 3.35Å; E181-K325 PolarHBondContact OE1-NZ 2.98Å; E181-K325 IonicContact OE2-NZ 3.02Å; E181-K325 PolarHBondContact OE2-NZ 3.26Å
182L98.1Very high97.6Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-69.4-39.3173.7-179.359.6000110.9I167 I179 Q180 E184 I185 V244 V246 I298 W302I167-L182 HydrophobicContact CD1-CB 4.37Å; I167-L182 HydrophobicContact CD1-CD2 4.27Å; I167-L182 HydrophobicContact CD1-CG 4.17Å; I167-L182 HydrophobicContact CG2-CD2 4.24Å; I179-L182 HydrophobicContact CG1-CB 4.46Å; I179-L182 HydrophobicContact CG1-CD2 4.49Å; I179-L182 WeakPolarHBondContact O-CB 3.37Å; I179-L182 PolarHBondContact O-N 2.7Å; I179-L182 VanDerWaalsContact O-N 3.15Å; Q180-L182 VanDerWaalsContact C-N 3.27Å; Q180-L182 PolarHBondContact O-N 2.61Å; L182-E184 VanDerWaalsContact C-N 3.34Å; L182-I185 WeakPolarHBondContact O-CG1 3.25Å; L182-I185 WeakPolarHBondContact O-CG2 3.37Å; L182-V244 HydrophobicContact CD2-CG1 3.94Å; L182-V246 HydrophobicContact CD1-CG2 3.67Å; L182-V246 HydrophobicContact CG-CG2 3.8Å; L182-V246 WeakPolarHBondContact O-CG2 3.42Å; L182-I298 HydrophobicContact CD1-CD1 4.4Å; L182-I298 HydrophobicContact CD1-CG2 3.92Å; L182-W302 HydrophobicContact CB-CD2 3.84Å; L182-W302 HydrophobicContact CB-CE3 3.76Å; L182-W302 HydrophobicContact CB-CG 4.48Å; L182-W302 HydrophobicContact CB-CH2 4.18Å; L182-W302 HydrophobicContact CB-CZ2 4.24Å; L182-W302 HydrophobicContact CB-CZ3 3.92Å; L182-W302 HydrophobicContact CD1-CB 4.06Å; L182-W302 HydrophobicContact CD1-CD2 4.24Å; L182-W302 HydrophobicContact CD1-CE3 4.4Å; L182-W302 HydrophobicContact CD1-CG 4.1Å; L182-W302 HydrophobicContact CD2-CE3 3.88Å; L182-W302 HydrophobicContact CD2-CZ3 4.27Å; L182-W302 HydrophobicContact CG-CD2 4.41Å; L182-W302 HydrophobicContact CG-CE3 4.22Å
183Y97.9Very high97.7Very high48 Ų4843.8 Ų43.819%0.18823%0.232CC..Hα-helixtrans-64.4-39.4177.1-173.4-108.4000112.3I65 K165 I167 I179 Q180 I185I65-Y183 HydrophobicContact CD1-CD1 4.27Å; I65-Y183 HydrophobicContact CD1-CG 4.17Å; I65-Y183 HydrophobicContact CG1-CD1 4.08Å; I65-Y183 HydrophobicContact CG1-CE1 4.48Å; I65-Y183 HydrophobicContact CG1-CG 4.13Å; I65-Y183 HydrophobicContact CG2-CD2 3.68Å; I65-Y183 HydrophobicContact CG2-CE2 4.22Å; I65-Y183 HydrophobicContact CG2-CG 3.89Å; K165-Y183 HydrophobicContact CB-CE2 3.79Å; K165-Y183 HydrophobicContact CD-CD2 4.1Å; K165-Y183 HydrophobicContact CD-CE2 4.01Å; K165-Y183 HydrophobicContact CD-CG 4.49Å; K165-Y183 WeakPolarHBondContact CD-O 3.4Å; K165-Y183 WeakPolarHBondContact CE-O 3.42Å; K165-Y183 HydrophobicContact CG-CD2 4.36Å; K165-Y183 HydrophobicContact CG-CE2 3.92Å; K165-Y183 PolarHBondContact NZ-O 2.96Å; K165-Y183 VanDerWaalsContact O-CE2 3.31Å; K165-Y183 WeakPolarHBondContact O-CE2 3.18Å; K165-Y183 PolarHBondContact O-OH 3.36Å; K165-Y183 VanDerWaalsContact O-OH 3.05Å; I167-Y183 HydrophobicContact CD1-CD2 4.13Å; I167-Y183 HydrophobicContact CG1-CD2 4.09Å; I179-Y183 PolarHBondContact O-N 3.31Å; Q180-Y183 WeakPolarHBondContact O-CB 3.1Å; Q180-Y183 PolarHBondContact O-N 2.64Å; Q180-Y183 VanDerWaalsContact O-N 3.09Å; Y183-I185 VanDerWaalsContact C-N 3.27Å; Y183-I185 PolarHBondContact O-N 2.99Å
184E96.4Very high97.7Very high110 Ų11043.8 Ų43.851%0.51423%0.232SC..THydrogen-bonded Turntrans-80.5-1.4-174-72.7177175.700114.1Q180 L182 N186Q180-E184 HydrophobicContact CG-CG 4.19Å; Q180-E184 VanDerWaalsContact CG-OE1 3.29Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.43Å; Q180-E184 PolarHBondContact NE2-OE1 3.06Å; Q180-E184 WeakPolarHBondContact O-CB 3.38Å; Q180-E184 WeakPolarHBondContact O-CG 3.45Å; Q180-E184 PolarHBondContact O-N 3.48Å; L182-E184 VanDerWaalsContact C-N 3.34Å; E184-N186 PolarHBondContact O-N 3.12Å
185I97.1Very high97.7Very high34 Ų3443.8 Ų43.817%0.17423%0.232CC..PPolyproline II helixtrans-56.4141177.871.6176.7000111.5K165 E181 L182 Y183 L187 A194 V246 I298K165-I185 PolarHBondContact NZ-O 2.99Å; E181-I185 WeakPolarHBondContact O-CG2 3.22Å; L182-I185 WeakPolarHBondContact O-CG1 3.25Å; L182-I185 WeakPolarHBondContact O-CG2 3.37Å; Y183-I185 VanDerWaalsContact C-N 3.27Å; Y183-I185 PolarHBondContact O-N 2.99Å; I185-L187 PolarHBondContact O-N 3.49Å; I185-A194 HydrophobicContact CD1-CB 3.64Å; I185-V246 HydrophobicContact CD1-CB 3.87Å; I185-V246 HydrophobicContact CD1-CG1 4.24Å; I185-V246 HydrophobicContact CD1-CG2 3.66Å; I185-V246 HydrophobicContact CG1-CB 4.24Å; I185-V246 HydrophobicContact CG1-CG1 4.04Å; I185-V246 HydrophobicContact CG1-CG2 4.21Å; I185-I298 HydrophobicContact CD1-CG1 3.84Å
186N96.2Very high97.5Very high149 Ų14943.9 Ų43.980%0.79723%0.233SC*.PPolyproline II helixtrans-77.4117.8-179.4-70.3-42.3000110.7E184E184-N186 PolarHBondContact O-N 3.12Å
187L98.3Very high97.3Very high32 Ų3245.3 Ų45.317%0.16824%0.242CC..PPolyproline II helixtrans-85.4132.6169.5-58.8178.9000108.5I185 A194 N248 S296I185-L187 PolarHBondContact O-N 3.49Å; L187-A194 HydrophobicContact CD2-CB 3.49Å; L187-A194 VanDerWaalsContact CD2-CB 3.49Å; L187-N248 HydrophobicContact CD1-CB 3.64Å; L187-S296 WeakPolarHBondContact CA-OG 3.45Å
188K98Very high96.9Very high124 Ų12445.2 Ų45.254%0.53924%0.239SC..PPolyproline II helixtrans-64.4150.9177.6-66.8174.6178.9176.80109G190 H191 S296K188-G190 PolarHBondContact O-N 2.96Å; K188-H191 VanDerWaalsContact O-CB 3.29Å; K188-H191 WeakPolarHBondContact O-CB 3.21Å; K188-H191 PolarHBondContact O-N 3.19Å; K188-S296 PolarHBondContact N-OG 2.81Å
189P96.6Very high96.1Very high131 Ų13145.7 Ų45.785%0.85124%0.244SC*.THydrogen-bonded Turntrans-50.2130.8177.7-28.335.6000112.1H191P189-H191 VanDerWaalsContact C-N 3.27Å; P189-H191 PolarHBondContact O-N 2.6Å
190G96.1Very high94.9Very high36 Ų3650 Ų5037%0.37127%0.266SS..THydrogen-bonded Turntrans75.32.3-177.800000115.7K188 Q255K188-G190 PolarHBondContact O-N 2.96Å; G190-Q255 PolarHBondContact O-NE2 2.75Å
191H98.4Very high93Very high29 Ų2948.8 Ų48.813%0.13427%0.265CS..  trans-88119.6173.1-69.7-166000110.7K188 P189 A193 H295 S296K188-H191 VanDerWaalsContact O-CB 3.29Å; K188-H191 WeakPolarHBondContact O-CB 3.21Å; K188-H191 PolarHBondContact O-N 3.19Å; P189-H191 VanDerWaalsContact C-N 3.27Å; P189-H191 PolarHBondContact O-N 2.6Å; H191-A193 VanDerWaalsContact C-N 3.33Å; H191-H295 VanDerWaalsContact CE1-C 3.46Å; H191-H295 PolarHBondContact CE1-O 3.4Å; H191-H295 WeakPolarHBondContact ND1-CA 3.31Å; H191-H295 PolarHBondContact ND1-O 2.98Å; H191-H295 VanDerWaalsContact ND1-O 3.08Å; H191-S296 PolarHBondContact ND1-N 3.4Å
192A98.4Very high90.7Very high1 Ų146.7 Ų46.71%0.00826%0.263CS..  trans-80.5-1217900000113.9A247 N248 E251 W252 V257 F291A192-A247 CarbonylContact O-C 3.38Å; A192-A247 WeakPolarHBondContact O-CA 3.33Å; A192-N248 PolarHBondContact O-N 3.24Å; A192-E251 HydrophobicContact CB-CB 4.02Å; A192-W252 HydrophobicContact CB-CB 4.26Å; A192-W252 HydrophobicContact CB-CE3 4.46Å; A192-V257 HydrophobicContact CB-CG2 4.09Å; A192-F291 HydrophobicContact CB-CE1 4.1Å
193A98.6Very high88.2Confident0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-154.6161.6-179.800000113.3H191 F195 I245 V246 W252 F291 H295 S296H191-A193 VanDerWaalsContact C-N 3.33Å; A193-F195 HydrophobicContact CB-CD2 4.41Å; A193-F195 HydrophobicContact CB-CE2 3.59Å; A193-F195 HydrophobicContact CB-CZ 3.79Å; A193-I245 HydrophobicContact CB-CG2 3.93Å; A193-V246 CarbonylContact C-O 3.47Å; A193-V246 VanDerWaalsContact CA-O 3.24Å; A193-V246 WeakPolarHBondContact CA-O 3.48Å; A193-W252 HydrophobicContact CB-CE3 4.47Å; A193-W252 HydrophobicContact CB-CZ3 4.06Å; A193-F291 HydrophobicContact CB-CD1 4.23Å; A193-F291 HydrophobicContact CB-CE1 3.57Å; A193-F291 HydrophobicContact CB-CZ 3.83Å; A193-H295 CarbonylContact O-C 3.56Å; A193-H295 VanDerWaalsContact O-CA 3.23Å; A193-H295 WeakPolarHBondContact O-CA 3.31Å; A193-H295 WeakPolarHBondContact O-CB 3.18Å; A193-S296 PolarHBondContact O-N 2.62Å
194A98.7Very high85.7Confident0 Ų051.6 Ų51.60%031%0.308CS..EExtended strand (participates in β ladder)trans-118.2147.1161.900000111.4I185 L187 V246 S296 I298I185-A194 HydrophobicContact CD1-CB 3.64Å; L187-A194 HydrophobicContact CD2-CB 3.49Å; L187-A194 VanDerWaalsContact CD2-CB 3.49Å; A194-V246 HydrophobicContact CB-CB 4.32Å; A194-V246 PolarHBondContact N-O 3.05Å; A194-V246 PolarHBondContact O-N 2.79Å; A194-S296 CarbonylContact C-O 3.51Å; A194-S296 WeakPolarHBondContact CA-O 3.42Å; A194-S296 WeakPolarHBondContact CB-O 3.29Å; A194-I298 HydrophobicContact CB-CD1 4.28Å; A194-I298 HydrophobicContact CB-CG1 3.73Å
195F97.9Very high83.2Confident0 Ų056.3 Ų56.30%033%0.327CS..EExtended strand (participates in β ladder)trans-138.8163.8176.3-55.4-86.3000109.5A193 F240 P242 I245 F291 H295 S296 P297 I298A193-F195 HydrophobicContact CB-CD2 4.41Å; A193-F195 HydrophobicContact CB-CE2 3.59Å; A193-F195 HydrophobicContact CB-CZ 3.79Å; F195-F240 HydrophobicContact CB-CB 3.65Å; F195-F240 HydrophobicContact CB-CD1 4.31Å; F195-F240 HydrophobicContact CB-CD2 3.61Å; F195-F240 HydrophobicContact CB-CE2 4.33Å; F195-F240 HydrophobicContact CB-CG 3.6Å; F195-F240 AromaticContact CD1-CD2 3.64Å; F195-F240 HydrophobicContact CD1-CD2 3.64Å; F195-F240 AromaticContact CD1-CE2 3.71Å; F195-F240 HydrophobicContact CD1-CE2 3.71Å; F195-F240 HydrophobicContact CD1-CG 4.47Å; F195-F240 HydrophobicContact CD2-CD1 4.26Å; F195-F240 AromaticContact CD2-CD2 3.95Å; F195-F240 HydrophobicContact CD2-CD2 3.95Å; F195-F240 HydrophobicContact CD2-CE1 4.12Å; F195-F240 AromaticContact CD2-CE2 3.82Å; F195-F240 HydrophobicContact CD2-CE2 3.82Å; F195-F240 HydrophobicContact CD2-CG 4.18Å; F195-F240 AromaticContact CD2-CZ 3.9Å; F195-F240 HydrophobicContact CD2-CZ 3.9Å; F195-F240 HydrophobicContact CE1-CD2 4.24Å; F195-F240 AromaticContact CE1-CE2 3.83Å; F195-F240 HydrophobicContact CE1-CE2 3.83Å; F195-F240 HydrophobicContact CE2-CE1 4.46Å; F195-F240 AromaticContact CE2-CE2 3.99Å; F195-F240 HydrophobicContact CE2-CE2 3.99Å; F195-F240 AromaticContact CE2-CZ 3.93Å; F195-F240 HydrophobicContact CE2-CZ 3.93Å; F195-F240 HydrophobicContact CG-CB 4.43Å; F195-F240 HydrophobicContact CG-CD1 4.39Å; F195-F240 AromaticContact CG-CD2 3.46Å; F195-F240 HydrophobicContact CG-CD2 3.46Å; F195-F240 VanDerWaalsContact CG-CD2 3.46Å; F195-F240 AromaticContact CG-CE2 3.69Å; F195-F240 HydrophobicContact CG-CE2 3.69Å; F195-F240 AromaticContact CG-CG 3.86Å; F195-F240 HydrophobicContact CG-CG 3.86Å; F195-F240 HydrophobicContact CG-CZ 4.25Å; F195-F240 AromaticContact CZ-CE2 3.99Å; F195-F240 HydrophobicContact CZ-CE2 3.99Å; F195-F240 HydrophobicContact CZ-CZ 4.25Å; F195-P242 HydrophobicContact CE1-CB 4.44Å; F195-I245 HydrophobicContact CD1-CG1 4.02Å; F195-I245 HydrophobicContact CD1-CG2 4.29Å; F195-I245 HydrophobicContact CE1-CB 4.16Å; F195-I245 HydrophobicContact CE1-CD1 3.76Å; F195-I245 HydrophobicContact CE1-CG1 3.59Å; F195-I245 HydrophobicContact CE1-CG2 3.7Å; F195-I245 HydrophobicContact CZ-CG2 3.98Å; F195-F291 HydrophobicContact CE2-CB 4.04Å; F195-F291 AromaticContact CE2-CD1 3.91Å; F195-F291 HydrophobicContact CE2-CD1 3.91Å; F195-F291 AromaticContact CE2-CD2 3.78Å; F195-F291 HydrophobicContact CE2-CD2 3.78Å; F195-F291 HydrophobicContact CE2-CE1 4.29Å; F195-F291 HydrophobicContact CE2-CE2 4.18Å; F195-F291 AromaticContact CE2-CG 3.63Å; F195-F291 HydrophobicContact CE2-CG 3.63Å; F195-F291 HydrophobicContact CE2-CZ 4.41Å; F195-F291 AromaticContact CZ-CD2 3.83Å; F195-F291 HydrophobicContact CZ-CD2 3.83Å; F195-F291 AromaticContact CZ-CE2 3.92Å; F195-F291 HydrophobicContact CZ-CE2 3.92Å; F195-F291 HydrophobicContact CZ-CG 4.17Å; F195-F291 HydrophobicContact CZ-CZ 4.34Å; F195-H295 HydrophobicContact CD2-CB 3.64Å; F195-H295 AromaticContact CD2-CG 3.89Å; F195-H295 HydrophobicContact CE2-CB 3.99Å; F195-S296 PolarHBondContact N-O 3.38Å; F195-P297 CarbonylContact O-C 3.47Å; F195-P297 WeakPolarHBondContact O-CA 3.4Å; F195-I298 PolarHBondContact O-N 3.28Å
196S95.6Very high80.6Confident3 Ų357.2 Ų57.22%0.02135%0.345CS..EExtended strand (participates in β ladder)trans-99.9129.2170.7-162.70000110.5F240 N241 I298 H303 R305S196-F240 VanDerWaalsContact O-CA 3.29Å; S196-F240 WeakPolarHBondContact O-CA 3.41Å; S196-F240 WeakPolarHBondContact O-CB 3.49Å; S196-N241 PolarHBondContact O-N 3.38Å; S196-I298 PolarHBondContact OG-O 3.35Å; S196-H303 WeakPolarHBondContact CB-ND1 3.29Å; S196-R305 PolarHBondContact OG-NH1 2.91Å
197D93.3Very high77.9Confident72 Ų7256.8 Ų56.839%0.38534%0.341SS..EExtended strand (participates in β ladder)trans-56.2139.2176.4-75.8-13.4000111S239 R305D197-S239 CarbonylContact C-O 3.57Å; D197-S239 WeakPolarHBondContact CA-O 3.2Å; D197-R305 PolarHBondContact O-NH1 3.47Å; D197-R305 PolarHBondContact O-NH2 3.11Å
198D89.4Confident75.1Confident9 Ų960.3 Ų60.35%0.04836%0.364CS..  trans-126.321.6-171.1-158.724.9000114.9D200 N215 S239 N241 R305 H306D198-D200 VanDerWaalsContact C-N 3.32Å; D198-D200 PolarHBondContact O-N 3.14Å; D198-N215 WeakPolarHBondContact O-CB 3.45Å; D198-N215 PolarHBondContact O-ND2 2.79Å; D198-S239 PolarHBondContact N-O 3.47Å; D198-N241 HydrophobicContact CB-CB 4.09Å; D198-R305 IonicContact OD1-CZ 2.76Å; D198-R305 IonicContact OD1-NE 3.3Å; D198-R305 PolarHBondContact OD1-NE 2.91Å; D198-R305 IonicContact OD1-NH2 2.99Å; D198-H306 IonicContact OD1-CD2 2.53Å; D198-H306 IonicContact OD1-CE1 3.39Å; D198-H306 PolarHBondContact OD1-CE1 3.3Å; D198-H306 IonicContact OD1-NE2 3.76Å; D198-H306 PolarHBondContact OD1-NE2 2.98Å; D198-H306 IonicContact OD2-CE1 3.4Å; D198-H306 PolarHBondContact OD2-CE1 3.3Å; D198-H306 IonicContact OD2-NE2 2.66Å; D198-H306 PolarHBondContact OD2-NE2 2.91Å
199C81.7Confident72.1Confident34 Ų3465.8 Ų65.823%0.2338%0.381CS..  trans-86.62.6179.953.40000114.9S201 N213 C238C199-S201 PolarHBondContact O-N 3.15Å; C199-N213 PolarHBondContact O-ND2 3.17Å; C199-C238 HydrophobicContact CB-CB 3.71Å; C199-C238 WeakPolarHBondContact CB-SG 3.33Å; C199-C238 PolarHBondContact N-SG 2.84Å; C199-C238 VanDerWaalsContact N-SG 3.39Å; C199-C238 WeakPolarHBondContact SG-CB 3.44Å; C199-C238 CovalentContact SG-SG 2.02Å; C199-C238 PolarHBondContact SG-SG 3.48Å
200D73Confident69.5Low90 Ų9063.4 Ų63.448%0.48138%0.381SS..SBendtrans-73.992.9176.9-62.3-23000109.4D198 A202 R315D198-D200 VanDerWaalsContact C-N 3.32Å; D198-D200 PolarHBondContact O-N 3.14Å; D200-A202 PolarHBondContact O-N 3.33Å; D200-A202 VanDerWaalsContact O-N 3.12Å; D200-R315 PolarHBondContact O-NH1 3.34Å; D200-R315 PolarHBondContact O-NH2 3.37Å
201S55.8Low67Low38 Ų3864.3 Ų64.327%0.26638%0.384SS..  trans-52.8116.9-174.5179.60000111.8C199 S203 A204C199-S201 PolarHBondContact O-N 3.15Å; S201-S203 PolarHBondContact O-N 2.97Å; S201-S203 PolarHBondContact OG-N 3.38Å; S201-S203 VanDerWaalsContact OG-N 3.16Å; S201-S203 PolarHBondContact OG-OG 3.02Å; S201-S203 VanDerWaalsContact OG-OG 3.09Å; S201-A204 PolarHBondContact OG-N 2.89Å
202A48.8Very low64.5Low41 Ų4165.1 Ų65.134%0.33940%0.401SS..THydrogen-bonded Turntrans-70.7-18.8165.900000112.1D200 I309D200-A202 PolarHBondContact O-N 3.33Å; D200-A202 VanDerWaalsContact O-N 3.12Å; A202-I309 HydrophobicContact CB-CD1 3.24Å
203S46.7Very low62.4Low77 Ų7768.1 Ų68.154%0.53842%0.417SS..THydrogen-bonded Turntrans-104.211-168.6470000113.7S201 K205 G206S201-S203 PolarHBondContact O-N 2.97Å; S201-S203 PolarHBondContact OG-N 3.38Å; S201-S203 VanDerWaalsContact OG-N 3.16Å; S201-S203 PolarHBondContact OG-OG 3.02Å; S201-S203 VanDerWaalsContact OG-OG 3.09Å; S203-K205 PolarHBondContact O-N 3.43Å; S203-G206 PolarHBondContact O-N 2.72Å
204A45.4Very low60.9Low74 Ų7471.8 Ų71.861%0.61243%0.434SS*.THydrogen-bonded Turntrans-62-8.2177.600000114S201S201-A204 PolarHBondContact OG-N 2.89Å
205K42.5Very low60Low209 Ų20973.1 Ų73.191%0.90944%0.441SS*.THydrogen-bonded Turntrans-102.44.1173.2-66.6-170.5179.6179.10115S203S203-K205 PolarHBondContact O-N 3.43Å
206G43.2Very low59.6Low53 Ų5374 Ų7455%0.54645%0.446SS..SBendtrans-120.872.3174.200000110.5S203 V208S203-G206 PolarHBondContact O-N 2.72Å; G206-V208 PolarHBondContact O-N 3.5Å
207I39.4Very low59.5Low139 Ų13974 Ų7471%0.71345%0.445SS*.  trans-65.594.8179.4-60.3171.7000109.1R209I207-R209 HydrophobicContact CG2-CB 4.29Å; I207-R209 HydrophobicContact CG2-CG 3.55Å; I207-R209 PolarHBondContact O-N 3.29Å
208V40.6Very low59.3Low107 Ų10775.5 Ų75.565%0.64845%0.451SS*.  trans-80.5101143.2-179.80000105.1G206 G210 A211G206-V208 PolarHBondContact O-N 3.5Å; V208-G210 PolarHBondContact O-N 2.91Å; V208-A211 HydrophobicContact CB-CB 4.18Å; V208-A211 HydrophobicContact CG1-CB 4.32Å; V208-A211 PolarHBondContact O-N 3.39Å; V208-A211 VanDerWaalsContact O-N 3.09Å
209R34.2Very low59.3Low238 Ų23875.3 Ų75.390%0.89845%0.451SS*.THydrogen-bonded Turntrans-55.3100.9170.6-84.6-176.2167.9174.1-4.8107.5I207I207-R209 HydrophobicContact CG2-CB 4.29Å; I207-R209 HydrophobicContact CG2-CG 3.55Å; I207-R209 PolarHBondContact O-N 3.29Å
210G41.3Very low59.7Low82 Ų8274.5 Ų74.585%0.84544%0.444SS*.THydrogen-bonded Turntrans131.9-21.5-179.500000115.3V208 G212V208-G210 PolarHBondContact O-N 2.91Å; G210-G212 PolarHBondContact O-N 3.38Å
211A44.8Very low60.7Low54 Ų5470.3 Ų70.345%0.44642%0.422SS..  trans-94.588172.400000108.8V208V208-A211 HydrophobicContact CB-CB 4.18Å; V208-A211 HydrophobicContact CG1-CB 4.32Å; V208-A211 PolarHBondContact O-N 3.39Å; V208-A211 VanDerWaalsContact O-N 3.09Å
212G46.4Very low62.5Low47 Ų4770.5 Ų70.549%0.48542%0.419SS..  trans-53.9162.8175.400000112.3G210 Q214G210-G212 PolarHBondContact O-N 3.38Å; G212-Q214 VanDerWaalsContact O-CG 3.29Å; G212-Q214 WeakPolarHBondContact O-CG 3.22Å; G212-Q214 PolarHBondContact O-N 3.45Å
213N53.4Low64.6Low64 Ų6470.5 Ų70.534%0.34241%0.412SS..  trans-48.3104.4177.1-172.48.9000110.3C199 N215 N216C199-N213 PolarHBondContact O-ND2 3.17Å; N213-N215 VanDerWaalsContact C-N 3.25Å; N213-N215 PolarHBondContact O-N 3.39Å; N213-N216 VanDerWaalsContact O-CG 3.26Å; N213-N216 PolarHBondContact O-ND2 3.13Å
214Q66.1Low66.8Low77 Ų7775 Ų7536%0.3642%0.422SS..SBendtrans-74.5-18-169.2-62.5-175.5-2800111.8G212 N216 G219 T277 L278G212-Q214 VanDerWaalsContact O-CG 3.29Å; G212-Q214 WeakPolarHBondContact O-CG 3.22Å; G212-Q214 PolarHBondContact O-N 3.45Å; Q214-N216 PolarHBondContact O-N 3.22Å; Q214-G219 WeakPolarHBondContact O-CA 3.32Å; Q214-T277 HydrophobicContact CG-CG2 4.42Å; Q214-L278 HydrophobicContact CB-CD1 3.55Å; Q214-L278 HydrophobicContact CB-CD2 4Å; Q214-L278 HydrophobicContact CB-CG 3.81Å; Q214-L278 WeakPolarHBondContact O-CD1 3.18Å
215N81.1Confident69.2Low27 Ų2774.4 Ų74.414%0.14441%0.405CS..SBendtrans-81.735-179.9-60.6-4.3000113.4D198 N213 S239D198-N215 WeakPolarHBondContact O-CB 3.45Å; D198-N215 PolarHBondContact O-ND2 2.79Å; N213-N215 VanDerWaalsContact C-N 3.25Å; N213-N215 PolarHBondContact O-N 3.39Å; N215-S239 PolarHBondContact O-N 3.44Å; N215-S239 PolarHBondContact O-OG 3.39Å
216N89.8Confident71.7Confident20 Ų2069.5 Ų69.511%0.10739%0.386CS..BIsolated β-bridgetrans-113.1174.6165.762.530.4000108.6N213 Q214 M218 G219 F220 A235 T237N213-N216 VanDerWaalsContact O-CG 3.26Å; N213-N216 PolarHBondContact O-ND2 3.13Å; Q214-N216 PolarHBondContact O-N 3.22Å; N216-M218 PolarHBondContact O-N 2.87Å; N216-M218 WeakPolarHBondContact OD1-CB 3.2Å; N216-M218 PolarHBondContact OD1-N 3.28Å; N216-M218 VanDerWaalsContact OD1-N 3.12Å; N216-G219 PolarHBondContact O-N 3.16Å; N216-G219 PolarHBondContact OD1-N 3.12Å; N216-F220 WeakPolarHBondContact O-CD2 3.47Å; N216-A235 PolarHBondContact OD1-O 3.15Å; N216-T237 CarbonylContact C-O 3.53Å; N216-T237 WeakPolarHBondContact CA-O 3.26Å; N216-T237 WeakPolarHBondContact CB-O 3.38Å
217Y92.6Very high74.2Confident2 Ų267.3 Ų67.31%0.00836%0.362CS..Hα-helixtrans-57.1-30-176.1-84.3-132.2000112.7G219 F220 L221 M233 A235 T237 C238 L288 Y292Y217-G219 PolarHBondContact O-N 3.42Å; Y217-F220 PolarHBondContact O-N 2.77Å; Y217-F220 VanDerWaalsContact O-N 3.12Å; Y217-L221 HydrophobicContact CD1-CD1 3.82Å; Y217-L221 PolarHBondContact O-N 3.46Å; Y217-M233 HydrophobicContact CD1-CE 4.38Å; Y217-M233 HydrophobicContact CD1-SD 3.99Å; Y217-M233 HydrophobicContact CE1-SD 3.79Å; Y217-A235 PolarHBondContact N-O 3.4Å; Y217-T237 HydrophobicContact CD2-CG2 4.2Å; Y217-T237 VanDerWaalsContact CD2-O 3.25Å; Y217-T237 WeakPolarHBondContact CD2-O 3.36Å; Y217-T237 HydrophobicContact CE2-CG2 4Å; Y217-T237 PolarHBondContact N-O 3.44Å; Y217-C238 VanDerWaalsContact CE2-O 3.26Å; Y217-C238 WeakPolarHBondContact CE2-O 3.37Å; Y217-L288 HydrophobicContact CD1-CB 4.46Å; Y217-L288 HydrophobicContact CD2-CD1 4.39Å; Y217-L288 HydrophobicContact CE1-CB 3.83Å; Y217-L288 HydrophobicContact CE2-CB 4.3Å; Y217-L288 HydrophobicContact CE2-CD1 4.37Å; Y217-L288 HydrophobicContact CE2-CD2 3.85Å; Y217-L288 HydrophobicContact CE2-CG 4.4Å; Y217-L288 PolarHBondContact OH-O 2.75Å; Y217-Y292 HydrophobicContact CD1-CD2 4.21Å; Y217-Y292 HydrophobicContact CD1-CE2 4.37Å; Y217-Y292 AromaticContact CE1-CD2 3.37Å; Y217-Y292 HydrophobicContact CE1-CD2 3.37Å; Y217-Y292 AromaticContact CE1-CE2 3.92Å; Y217-Y292 HydrophobicContact CE1-CE2 3.92Å; Y217-Y292 HydrophobicContact CE1-CG 4.31Å; Y217-Y292 AromaticContact CZ-CD2 3.61Å
218M90Very high77Confident103 Ų10360.7 Ų60.751%0.50733%0.328SS..Hα-helixtrans-62.4-27.8177.1-164.3172.460.700113.4N216 F220 A235N216-M218 PolarHBondContact O-N 2.87Å; N216-M218 WeakPolarHBondContact OD1-CB 3.2Å; N216-M218 PolarHBondContact OD1-N 3.28Å; N216-M218 VanDerWaalsContact OD1-N 3.12Å; M218-F220 VanDerWaalsContact C-N 3.32Å; M218-A235 HydrophobicContact CB-CB 4.13Å; M218-A235 HydrophobicContact CG-CB 4.44Å; M218-A235 PolarHBondContact N-O 3.01Å
219G88.1Confident79.6Confident5 Ų560.4 Ų60.45%0.05232%0.318CS..Hα-helixtrans-76.2-18.8175.700000114.3Q214 N216 Y217 S275 L278Q214-G219 WeakPolarHBondContact O-CA 3.32Å; N216-G219 PolarHBondContact O-N 3.16Å; N216-G219 PolarHBondContact OD1-N 3.12Å; Y217-G219 PolarHBondContact O-N 3.42Å; G219-S275 WeakPolarHBondContact O-CB 3.46Å; G219-S275 PolarHBondContact O-OG 3.12Å; G219-L278 PolarHBondContact O-N 3.27Å
220F91.3Very high82.6Confident18 Ų1857.3 Ų57.38%0.07931%0.312CS..Hα-helixtrans-109.2-25.8-176.3-64.6-80.8000113.7N216 Y217 M218 S239 Y274 S275 L278 T284 P285 L288N216-F220 WeakPolarHBondContact O-CD2 3.47Å; Y217-F220 PolarHBondContact O-N 2.77Å; Y217-F220 VanDerWaalsContact O-N 3.12Å; M218-F220 VanDerWaalsContact C-N 3.32Å; F220-S239 WeakPolarHBondContact CE2-OG 3.29Å; F220-Y274 WeakPolarHBondContact O-CA 3.42Å; F220-S275 PolarHBondContact O-N 2.82Å; F220-L278 HydrophobicContact CD1-CB 4.44Å; F220-L278 HydrophobicContact CE1-CB 4.16Å; F220-L278 HydrophobicContact CE1-CD1 4.38Å; F220-L278 HydrophobicContact CE2-CD1 4.06Å; F220-L278 HydrophobicContact CZ-CB 4.48Å; F220-L278 HydrophobicContact CZ-CD1 3.9Å; F220-T284 HydrophobicContact CD1-CG2 3.87Å; F220-T284 HydrophobicContact CE1-CG2 3.81Å; F220-T284 HydrophobicContact CG-CG2 4.43Å; F220-T284 HydrophobicContact CZ-CG2 4.34Å; F220-P285 HydrophobicContact CB-CG 4.28Å; F220-L288 HydrophobicContact CB-CD1 3.68Å; F220-L288 HydrophobicContact CD1-CD1 4.39Å; F220-L288 HydrophobicContact CD2-CD1 3.64Å; F220-L288 HydrophobicContact CE2-CD1 4.39Å; F220-L288 HydrophobicContact CG-CD1 3.64Å
221L93.4Very high85.2Confident2 Ų256.3 Ų56.31%0.0129%0.287CS..BIsolated β-bridgetrans-122.9139.3-173.9-58.8173.2000111.2Y217 F223 I228 M233 Y274 P285 I289Y217-L221 HydrophobicContact CD1-CD1 3.82Å; Y217-L221 PolarHBondContact O-N 3.46Å; L221-F223 HydrophobicContact CB-CD2 4.26Å; L221-F223 HydrophobicContact CB-CE2 3.87Å; L221-F223 HydrophobicContact CD1-CE2 4.43Å; L221-F223 HydrophobicContact CD1-CZ 4.4Å; L221-F223 WeakPolarHBondContact O-CD2 3.46Å; L221-F223 PolarHBondContact O-N 3.47Å; L221-I228 HydrophobicContact CB-CG2 4.12Å; L221-I228 HydrophobicContact CD2-CD1 4.19Å; L221-M233 HydrophobicContact CD1-CE 3.38Å; L221-M233 HydrophobicContact CD1-SD 4.49Å; L221-Y274 HydrophobicContact CD2-CD1 4.03Å; L221-Y274 HydrophobicContact CD2-CE1 4.38Å; L221-P285 HydrophobicContact CD2-CB 3.76Å; L221-I289 HydrophobicContact CD1-CG1 4.13Å; L221-I289 HydrophobicContact CD2-CD1 3.75Å; L221-I289 HydrophobicContact CD2-CG1 3.95Å
222D92.8Very high87.7Confident41 Ų4156.7 Ų56.722%0.21930%0.295CS..  trans-83.694.3173.1-173.31.4000110.9K224 K225 L273D222-K224 PolarHBondContact O-N 3.46Å; D222-K224 VanDerWaalsContact O-N 3.1Å; D222-K224 WeakPolarHBondContact OD1-CB 3.25Å; D222-K224 WeakPolarHBondContact OD1-CG 3.29Å; D222-K224 PolarHBondContact OD1-N 2.95Å; D222-K225 HydrophobicContact CB-CG 3.83Å; D222-K225 WeakPolarHBondContact O-CB 3.13Å; D222-K225 PolarHBondContact O-N 2.87Å; D222-K225 VanDerWaalsContact OD2-CE 3.24Å; D222-K225 WeakPolarHBondContact OD2-CE 3.36Å; D222-L273 PolarHBondContact N-O 3.33Å
223F93.3Very high90.1Very high41 Ų4155.2 Ų55.218%0.1828%0.276CS..THydrogen-bonded Turntrans-66.8-3.4176.1-77.6-91.4000114.2L221 I228 K229 M233 A235L221-F223 HydrophobicContact CB-CD2 4.26Å; L221-F223 HydrophobicContact CB-CE2 3.87Å; L221-F223 HydrophobicContact CD1-CE2 4.43Å; L221-F223 HydrophobicContact CD1-CZ 4.4Å; L221-F223 WeakPolarHBondContact O-CD2 3.46Å; L221-F223 PolarHBondContact O-N 3.47Å; F223-I228 HydrophobicContact CD1-CG2 3.94Å; F223-I228 HydrophobicContact CD2-CG2 4.43Å; F223-I228 HydrophobicContact CE1-CG2 4.03Å; F223-I228 HydrophobicContact CG-CG2 4.14Å; F223-I228 HydrophobicContact CZ-CG2 4.32Å; F223-K229 WeakPolarHBondContact O-CE 3.46Å; F223-K229 WeakPolarHBondContact O-CG 3.5Å; F223-M233 HydrophobicContact CE1-CB 4.42Å; F223-M233 WeakPolarHBondContact CE1-O 3.38Å; F223-A235 HydrophobicContact CD1-CB 4.08Å; F223-A235 HydrophobicContact CD2-CB 3.89Å; F223-A235 HydrophobicContact CE1-CB 4.02Å; F223-A235 HydrophobicContact CE2-CB 3.82Å; F223-A235 HydrophobicContact CG-CB 4.03Å; F223-A235 VanDerWaalsContact CZ-CA 3.46Å; F223-A235 HydrophobicContact CZ-CB 3.9Å
224K93.3Very high92Very high172 Ų17258.4 Ų58.475%0.74829%0.287SS*.THydrogen-bonded Turntrans-77.2-25.8169.4-59.9173.1-178.4173.80111.6D222 K229D222-K224 PolarHBondContact O-N 3.46Å; D222-K224 VanDerWaalsContact O-N 3.1Å; D222-K224 WeakPolarHBondContact OD1-CB 3.25Å; D222-K224 WeakPolarHBondContact OD1-CG 3.29Å; D222-K224 PolarHBondContact OD1-N 2.95Å; K224-K229 VanDerWaalsContact O-CE 3.32Å; K224-K229 WeakPolarHBondContact O-CE 3.41Å; K224-K229 PolarHBondContact O-NZ 2.63Å
225K95Very high93.2Very high61 Ų6156.2 Ų56.227%0.26528%0.282SS..SBendtrans-74.6128.3-179.5-56.1-76.8178.1140.10110.6D222 A227 I228 K229 E271 D272 L273D222-K225 HydrophobicContact CB-CG 3.83Å; D222-K225 WeakPolarHBondContact O-CB 3.13Å; D222-K225 PolarHBondContact O-N 2.87Å; D222-K225 VanDerWaalsContact OD2-CE 3.24Å; D222-K225 WeakPolarHBondContact OD2-CE 3.36Å; K225-A227 PolarHBondContact O-N 3.42Å; K225-I228 HydrophobicContact CB-CG1 4.35Å; K225-I228 PolarHBondContact O-N 3.48Å; K225-K229 PolarHBondContact O-N 3.08Å; K225-K229 VanDerWaalsContact O-N 3.1Å; K225-E271 PolarHBondContact NZ-O 3.47Å; K225-D272 WeakPolarHBondContact CE-O 3.34Å; K225-D272 PolarHBondContact NZ-O 3.17Å; K225-L273 HydrophobicContact CB-CD2 3.82Å; K225-L273 HydrophobicContact CD-CD2 4.42Å; K225-L273 HydrophobicContact CG-CD2 4.03Å
226E95.7Very high93.7Very high106 Ų10660.8 Ų60.850%0.49531%0.307SS..Hα-helixtrans-58.1-33.9-179.6-70.7-55.912600113I228 K229 K230E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 2.76Å; E226-K229 PolarHBondContact O-N 3Å; E226-K229 WeakPolarHBondContact OE1-CD 3.44Å; E226-K229 IonicContact OE1-NZ 3.01Å; E226-K229 PolarHBondContact OE1-NZ 3.2Å; E226-K230 WeakPolarHBondContact O-CB 3.33Å; E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.18Å; E226-K230 PolarHBondContact O-N 2.99Å
227A96.2Very high93.8Very high7 Ų761.4 Ų61.46%0.05831%0.311CS..Hα-helixtrans-55.5-41.9173.900000113.2K225 R267 E271 L273K225-A227 PolarHBondContact O-N 3.42Å; A227-R267 VanDerWaalsContact CB-CZ 3.44Å; A227-E271 WeakPolarHBondContact CB-OE2 3.4Å; A227-L273 HydrophobicContact CB-CD1 4.02Å; A227-L273 HydrophobicContact CB-CD2 3.66Å
228I96.9Very high93.8Very high0 Ų062.8 Ų62.80%032%0.321CS..Hα-helixtrans-77.5-43.2179.3-62.5-55.9000110.6L221 F223 K225 E226 K230 L231 M233 W264 L273 I289L221-I228 HydrophobicContact CB-CG2 4.12Å; L221-I228 HydrophobicContact CD2-CD1 4.19Å; F223-I228 HydrophobicContact CD1-CG2 3.94Å; F223-I228 HydrophobicContact CD2-CG2 4.43Å; F223-I228 HydrophobicContact CE1-CG2 4.03Å; F223-I228 HydrophobicContact CG-CG2 4.14Å; F223-I228 HydrophobicContact CZ-CG2 4.32Å; K225-I228 HydrophobicContact CB-CG1 4.35Å; K225-I228 PolarHBondContact O-N 3.48Å; E226-I228 VanDerWaalsContact C-N 3.29Å; E226-I228 PolarHBondContact O-N 2.76Å; I228-K230 VanDerWaalsContact C-N 3.3Å; I228-K230 PolarHBondContact O-N 3.2Å; I228-L231 HydrophobicContact CD1-CD1 4.26Å; I228-L231 WeakPolarHBondContact O-CB 3.3Å; I228-L231 PolarHBondContact O-N 3.3Å; I228-L231 VanDerWaalsContact O-N 3.11Å; I228-M233 HydrophobicContact CG2-CE 4.47Å; I228-W264 HydrophobicContact CD1-CZ3 4.45Å; I228-L273 HydrophobicContact CD1-CB 4.14Å; I228-L273 HydrophobicContact CD1-CD1 4.41Å; I228-L273 HydrophobicContact CG1-CB 4.26Å; I228-I289 HydrophobicContact CD1-CD1 4.28Å
229K95.9Very high93.9Very high101 Ų10157.9 Ų57.944%0.43930%0.297SS..Hα-helixtrans-57.2-42.3177.9-67.1-177.2-165.6160.40112.5F223 K224 K225 E226 L231 G232F223-K229 WeakPolarHBondContact O-CE 3.46Å; F223-K229 WeakPolarHBondContact O-CG 3.5Å; K224-K229 VanDerWaalsContact O-CE 3.32Å; K224-K229 WeakPolarHBondContact O-CE 3.41Å; K224-K229 PolarHBondContact O-NZ 2.63Å; K225-K229 PolarHBondContact O-N 3.08Å; K225-K229 VanDerWaalsContact O-N 3.1Å; E226-K229 PolarHBondContact O-N 3Å; E226-K229 WeakPolarHBondContact OE1-CD 3.44Å; E226-K229 IonicContact OE1-NZ 3.01Å; E226-K229 PolarHBondContact OE1-NZ 3.2Å; K229-L231 PolarHBondContact O-N 2.87Å; K229-L231 VanDerWaalsContact O-N 3.12Å; K229-G232 PolarHBondContact O-N 3.4Å
230K97.1Very high94.2Very high173 Ų17357.8 Ų57.875%0.75230%0.295SS*.THydrogen-bonded Turntrans-62.2-17.5180-75.5176.4-177.9-178.60114E226 I228 G232E226-K230 WeakPolarHBondContact O-CB 3.33Å; E226-K230 VanDerWaalsContact O-CG 3.28Å; E226-K230 WeakPolarHBondContact O-CG 3.18Å; E226-K230 PolarHBondContact O-N 2.99Å; I228-K230 VanDerWaalsContact C-N 3.3Å; I228-K230 PolarHBondContact O-N 3.2Å; K230-G232 PolarHBondContact O-N 3.12Å
231L97.1Very high94.4Very high62 Ų6257.7 Ų57.733%0.32530%0.295SS..THydrogen-bonded Turntrans-74.7-13.9175.3-59.6172.6000113.1I228 K229 M233 W264 I289I228-L231 HydrophobicContact CD1-CD1 4.26Å; I228-L231 WeakPolarHBondContact O-CB 3.3Å; I228-L231 PolarHBondContact O-N 3.3Å; I228-L231 VanDerWaalsContact O-N 3.11Å; K229-L231 PolarHBondContact O-N 2.87Å; K229-L231 VanDerWaalsContact O-N 3.12Å; L231-M233 HydrophobicContact CB-CE 4.01Å; L231-M233 HydrophobicContact CB-CG 4.03Å; L231-M233 HydrophobicContact CB-SD 4.47Å; L231-M233 HydrophobicContact CD1-CE 3.48Å; L231-M233 VanDerWaalsContact CD1-CE 3.48Å; L231-M233 HydrophobicContact CD1-SD 4.4Å; L231-M233 HydrophobicContact CG-CE 4.41Å; L231-M233 PolarHBondContact O-N 2.96Å; L231-M233 VanDerWaalsContact O-N 3.16Å; L231-W264 HydrophobicContact CD1-CH2 3.59Å; L231-W264 HydrophobicContact CD1-CZ2 3.88Å; L231-W264 HydrophobicContact CD1-CZ3 4.35Å; L231-W264 HydrophobicContact CD2-CH2 3.75Å; L231-W264 HydrophobicContact CD2-CZ2 3.63Å; L231-W264 HydrophobicContact CG-CH2 4.06Å; L231-W264 HydrophobicContact CG-CZ2 4.32Å; L231-I289 HydrophobicContact CD1-CG1 4.32Å; L231-I289 HydrophobicContact CD1-CG2 3.8Å
232G96.4Very high94.4Very high61 Ų6158 Ų5863%0.62930%0.297SS*.THydrogen-bonded Turntrans6518.3178.200000114.4K229 K230K229-G232 PolarHBondContact O-N 3.4Å; K230-G232 PolarHBondContact O-N 3.12Å
233M96.7Very high94.5Very high16 Ų1656 Ų568%0.07929%0.286CS..  trans-74145.7176.2-61-175.6-6100110.5Y217 L221 F223 I228 L231 I289 Y292Y217-M233 HydrophobicContact CD1-CE 4.38Å; Y217-M233 HydrophobicContact CD1-SD 3.99Å; Y217-M233 HydrophobicContact CE1-SD 3.79Å; L221-M233 HydrophobicContact CD1-CE 3.38Å; L221-M233 HydrophobicContact CD1-SD 4.49Å; F223-M233 HydrophobicContact CE1-CB 4.42Å; F223-M233 WeakPolarHBondContact CE1-O 3.38Å; I228-M233 HydrophobicContact CG2-CE 4.47Å; L231-M233 HydrophobicContact CB-CE 4.01Å; L231-M233 HydrophobicContact CB-CG 4.03Å; L231-M233 HydrophobicContact CB-SD 4.47Å; L231-M233 HydrophobicContact CD1-CE 3.48Å; L231-M233 VanDerWaalsContact CD1-CE 3.48Å; L231-M233 HydrophobicContact CD1-SD 4.4Å; L231-M233 HydrophobicContact CG-CE 4.41Å; L231-M233 PolarHBondContact O-N 2.96Å; L231-M233 VanDerWaalsContact O-N 3.16Å; M233-I289 HydrophobicContact CE-CG1 4.1Å; M233-Y292 HydrophobicContact CB-CD1 4.49Å; M233-Y292 HydrophobicContact CB-CD2 4.37Å; M233-Y292 HydrophobicContact CB-CE1 4.16Å; M233-Y292 HydrophobicContact CB-CE2 4.02Å; M233-Y292 HydrophobicContact CG-CD1 3.68Å; M233-Y292 HydrophobicContact CG-CD2 3.97Å; M233-Y292 HydrophobicContact CG-CE1 3.81Å; M233-Y292 HydrophobicContact CG-CE2 4.06Å; M233-Y292 HydrophobicContact CG-CG 3.76Å; M233-Y292 HydrophobicContact SD-CD1 4.32Å; M233-Y292 HydrophobicContact SD-CD2 3.94Å; M233-Y292 HydrophobicContact SD-CE2 4.5Å; M233-Y292 HydrophobicContact SD-CG 3.82Å
234K94.3Very high94.8Very high132 Ų13254 Ų5457%0.57428%0.278SS*.  trans-83.9125.2174.1-57.9-177.2177.3-175.60110.1N236 T237 Y292K234-N236 WeakPolarHBondContact CB-OD1 3.31Å; K234-N236 PolarHBondContact O-N 3.44Å; K234-T237 WeakPolarHBondContact CB-OG1 3.42Å; K234-T237 VanDerWaalsContact O-CB 3.3Å; K234-T237 WeakPolarHBondContact O-CB 3.17Å; K234-T237 PolarHBondContact O-N 3.17Å; K234-T237 PolarHBondContact O-OG1 3.3Å; K234-Y292 PolarHBondContact N-OH 3.48Å
235A91.4Very high95Very high31 Ų3145.9 Ų45.926%0.25624%0.242SC..THydrogen-bonded Turntrans-57.7-32-179.500000113.7N216 Y217 M218 F223 T237N216-A235 PolarHBondContact OD1-O 3.15Å; Y217-A235 PolarHBondContact N-O 3.4Å; M218-A235 HydrophobicContact CB-CB 4.13Å; M218-A235 HydrophobicContact CG-CB 4.44Å; M218-A235 PolarHBondContact N-O 3.01Å; F223-A235 HydrophobicContact CD1-CB 4.08Å; F223-A235 HydrophobicContact CD2-CB 3.89Å; F223-A235 HydrophobicContact CE1-CB 4.02Å; F223-A235 HydrophobicContact CE2-CB 3.82Å; F223-A235 HydrophobicContact CG-CB 4.03Å; F223-A235 VanDerWaalsContact CZ-CA 3.46Å; F223-A235 HydrophobicContact CZ-CB 3.9Å; A235-T237 VanDerWaalsContact C-N 3.29Å; A235-T237 PolarHBondContact O-N 3.18Å
236N90.5Very high95.2Very high123 Ų12343 Ų4366%0.65823%0.23SC*.THydrogen-bonded Turntrans-84.36.7177.670.9-18.6000114.4K234 C238K234-N236 WeakPolarHBondContact CB-OD1 3.31Å; K234-N236 PolarHBondContact O-N 3.44Å; N236-C238 PolarHBondContact O-N 3.39Å
237T92.9Very high95.4Very high33 Ų3337.9 Ų37.920%0.20221%0.206CC..PPolyproline II helixtrans-62.7134.4176.1-51.70000109.6N216 Y217 K234 A235 S239 Y292N216-T237 CarbonylContact C-O 3.53Å; N216-T237 WeakPolarHBondContact CA-O 3.26Å; N216-T237 WeakPolarHBondContact CB-O 3.38Å; Y217-T237 HydrophobicContact CD2-CG2 4.2Å; Y217-T237 VanDerWaalsContact CD2-O 3.25Å; Y217-T237 WeakPolarHBondContact CD2-O 3.36Å; Y217-T237 HydrophobicContact CE2-CG2 4Å; Y217-T237 PolarHBondContact N-O 3.44Å; K234-T237 WeakPolarHBondContact CB-OG1 3.42Å; K234-T237 VanDerWaalsContact O-CB 3.3Å; K234-T237 WeakPolarHBondContact O-CB 3.17Å; K234-T237 PolarHBondContact O-N 3.17Å; K234-T237 PolarHBondContact O-OG1 3.3Å; A235-T237 VanDerWaalsContact C-N 3.29Å; A235-T237 PolarHBondContact O-N 3.18Å; T237-S239 PolarHBondContact O-N 2.66Å; T237-Y292 HydrophobicContact CG2-CE2 3.78Å; T237-Y292 WeakPolarHBondContact OG1-CE2 3.37Å; T237-Y292 PolarHBondContact OG1-OH 2.9Å
238C92Very high95.5Very high31 Ų3138.4 Ų38.421%0.20921%0.208CC..BIsolated β-bridgetrans-54.7130.6172.2-172.30000110.4C199 Y217 N236C199-C238 HydrophobicContact CB-CB 3.71Å; C199-C238 WeakPolarHBondContact CB-SG 3.33Å; C199-C238 PolarHBondContact N-SG 2.84Å; C199-C238 VanDerWaalsContact N-SG 3.39Å; C199-C238 WeakPolarHBondContact SG-CB 3.44Å; C199-C238 CovalentContact SG-SG 2.02Å; C199-C238 PolarHBondContact SG-SG 3.48Å; Y217-C238 VanDerWaalsContact CE2-O 3.26Å; Y217-C238 WeakPolarHBondContact CE2-O 3.37Å; N236-C238 PolarHBondContact O-N 3.39Å
239S92.8Very high95.5Very high0 Ų038.4 Ų38.40%021%0.208CC..PPolyproline II helixtrans-76.6172.4169.469.30000110.5D197 D198 N215 F220 T237D197-S239 CarbonylContact C-O 3.57Å; D197-S239 WeakPolarHBondContact CA-O 3.2Å; D198-S239 PolarHBondContact N-O 3.47Å; N215-S239 PolarHBondContact O-N 3.44Å; N215-S239 PolarHBondContact O-OG 3.39Å; F220-S239 WeakPolarHBondContact CE2-OG 3.29Å; T237-S239 PolarHBondContact O-N 2.66Å
240F94.5Very high95.6Very high2 Ų236.2 Ų36.21%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-123.9160.7166.757.3-108.8000109.7F195 S196 L287 L288 F291 H295F195-F240 HydrophobicContact CB-CB 3.65Å; F195-F240 HydrophobicContact CB-CD1 4.31Å; F195-F240 HydrophobicContact CB-CD2 3.61Å; F195-F240 HydrophobicContact CB-CE2 4.33Å; F195-F240 HydrophobicContact CB-CG 3.6Å; F195-F240 AromaticContact CD1-CD2 3.64Å; F195-F240 HydrophobicContact CD1-CD2 3.64Å; F195-F240 AromaticContact CD1-CE2 3.71Å; F195-F240 HydrophobicContact CD1-CE2 3.71Å; F195-F240 HydrophobicContact CD1-CG 4.47Å; F195-F240 HydrophobicContact CD2-CD1 4.26Å; F195-F240 AromaticContact CD2-CD2 3.95Å; F195-F240 HydrophobicContact CD2-CD2 3.95Å; F195-F240 HydrophobicContact CD2-CE1 4.12Å; F195-F240 AromaticContact CD2-CE2 3.82Å; F195-F240 HydrophobicContact CD2-CE2 3.82Å; F195-F240 HydrophobicContact CD2-CG 4.18Å; F195-F240 AromaticContact CD2-CZ 3.9Å; F195-F240 HydrophobicContact CD2-CZ 3.9Å; F195-F240 HydrophobicContact CE1-CD2 4.24Å; F195-F240 AromaticContact CE1-CE2 3.83Å; F195-F240 HydrophobicContact CE1-CE2 3.83Å; F195-F240 HydrophobicContact CE2-CE1 4.46Å; F195-F240 AromaticContact CE2-CE2 3.99Å; F195-F240 HydrophobicContact CE2-CE2 3.99Å; F195-F240 AromaticContact CE2-CZ 3.93Å; F195-F240 HydrophobicContact CE2-CZ 3.93Å; F195-F240 HydrophobicContact CG-CB 4.43Å; F195-F240 HydrophobicContact CG-CD1 4.39Å; F195-F240 AromaticContact CG-CD2 3.46Å; F195-F240 HydrophobicContact CG-CD2 3.46Å; F195-F240 VanDerWaalsContact CG-CD2 3.46Å; F195-F240 AromaticContact CG-CE2 3.69Å; F195-F240 HydrophobicContact CG-CE2 3.69Å; F195-F240 AromaticContact CG-CG 3.86Å; F195-F240 HydrophobicContact CG-CG 3.86Å; F195-F240 HydrophobicContact CG-CZ 4.25Å; F195-F240 AromaticContact CZ-CE2 3.99Å; F195-F240 HydrophobicContact CZ-CE2 3.99Å; F195-F240 HydrophobicContact CZ-CZ 4.25Å; S196-F240 VanDerWaalsContact O-CA 3.29Å; S196-F240 WeakPolarHBondContact O-CA 3.41Å; S196-F240 WeakPolarHBondContact O-CB 3.49Å; F240-L287 HydrophobicContact CE2-CB 4.04Å; F240-L287 HydrophobicContact CZ-CB 4.12Å; F240-L288 HydrophobicContact CD1-CD2 3.8Å; F240-L288 HydrophobicContact CD2-CD2 4.16Å; F240-L288 HydrophobicContact CE1-CD2 3.69Å; F240-L288 HydrophobicContact CE2-CD2 4.04Å; F240-L288 HydrophobicContact CG-CD2 4.04Å; F240-L288 HydrophobicContact CZ-CD2 3.81Å; F240-F291 HydrophobicContact CE1-CB 3.94Å; F240-F291 HydrophobicContact CZ-CB 3.87Å; F240-H295 AromaticContact CD1-CE1 3.61Å; F240-H295 AromaticContact CD1-NE2 3.8Å; F240-H295 AromaticContact CE1-CE1 3.89Å; F240-H295 AromaticContact CE1-ND1 3.88Å
241N93.9Very high95.7Very high17 Ų1730.5 Ų30.59%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-96.4128.3175.8-172.8-77.4000110.5S196 D198 G243 H303 H328S196-N241 PolarHBondContact O-N 3.38Å; D198-N241 HydrophobicContact CB-CB 4.09Å; N241-G243 PolarHBondContact OD1-N 2.02Å; N241-H303 PolarHBondContact OD1-CE1 3.34Å; N241-H328 PolarHBondContact OD1-CE1 3.37Å
242P94.3Very high95.8Very high7 Ų727.7 Ų27.75%0.04516%0.164CC..EExtended strand (participates in β ladder)trans-92.29.6-17637.9-37.8000114.8F195 V244 I245 T284 L287F195-P242 HydrophobicContact CE1-CB 4.44Å; P242-V244 PolarHBondContact O-N 2.99Å; P242-I245 WeakPolarHBondContact O-CG1 3.31Å; P242-T284 WeakPolarHBondContact CG-OG1 3.28Å; P242-L287 HydrophobicContact CB-CD1 3.41Å; P242-L287 VanDerWaalsContact CB-CD1 3.41Å; P242-L287 HydrophobicContact CG-CD1 4.03Å
243G95.4Very high95.8Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-75.9-9.717800000114.4L169 D170 N241L169-G243 CarbonylContact C-O 3.51Å; D170-G243 VanDerWaalsContact CG-CA 3.42Å; D170-G243 PolarHBondContact N-O 3.48Å; D170-G243 WeakPolarHBondContact OD2-CA 3.38Å; N241-G243 PolarHBondContact OD1-N 2.02Å
244V98.3Very high95.9Very high0 Ų033.7 Ų33.70%018%0.178CC..EExtended strand (participates in β ladder)trans-134.5121.7168.2178.70000107.5Y168 L169 L182 P242 I298 H303 L326Y168-V244 WeakPolarHBondContact O-CA 3.29Å; L169-V244 HydrophobicContact CD2-CG1 4.13Å; L169-V244 HydrophobicContact CD2-CG2 4.03Å; L182-V244 HydrophobicContact CD2-CG1 3.94Å; P242-V244 PolarHBondContact O-N 2.99Å; V244-I298 HydrophobicContact CG1-CD1 4.08Å; V244-H303 WeakPolarHBondContact CG2-NE2 3.3Å; V244-L326 HydrophobicContact CG1-CD1 4.35Å; V244-L326 HydrophobicContact CG2-CD1 3.74Å; V244-L326 HydrophobicContact CG2-CD2 3.81Å; V244-L326 HydrophobicContact CG2-CG 4.49Å
245I98.7Very high96.1Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-130.9131.2179.9-43.5178.3000108.3R153 I167 Y168 A193 F195 P242 A247R153-I245 HydrophobicContact CB-CD1 4.26Å; I167-I245 CarbonylContact C-O 3.54Å; I167-I245 VanDerWaalsContact CA-O 3.3Å; I167-I245 WeakPolarHBondContact CA-O 3.11Å; Y168-I245 HydrophobicContact CD1-CD1 4.04Å; Y168-I245 HydrophobicContact CD1-CG1 3.99Å; Y168-I245 HydrophobicContact CG-CD1 4.3Å; Y168-I245 HydrophobicContact CG-CG1 4.42Å; Y168-I245 PolarHBondContact N-O 3.16Å; Y168-I245 PolarHBondContact O-N 2.7Å; A193-I245 HydrophobicContact CB-CG2 3.93Å; F195-I245 HydrophobicContact CD1-CG1 4.02Å; F195-I245 HydrophobicContact CD1-CG2 4.29Å; F195-I245 HydrophobicContact CE1-CB 4.16Å; F195-I245 HydrophobicContact CE1-CD1 3.76Å; F195-I245 HydrophobicContact CE1-CG1 3.59Å; F195-I245 HydrophobicContact CE1-CG2 3.7Å; F195-I245 HydrophobicContact CZ-CG2 3.98Å; P242-I245 WeakPolarHBondContact O-CG1 3.31Å; I245-A247 HydrophobicContact CG2-CB 4.26Å
246V98.8Very high96.4Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-104.7108.1162.7-175.80000107K165 I167 L182 I185 A193 A194 I298K165-V246 HydrophobicContact CD-CG1 3.68Å; K165-V246 HydrophobicContact CG-CG1 4Å; I167-V246 HydrophobicContact CG1-CG2 4.41Å; L182-V246 HydrophobicContact CD1-CG2 3.67Å; L182-V246 HydrophobicContact CG-CG2 3.8Å; L182-V246 WeakPolarHBondContact O-CG2 3.42Å; I185-V246 HydrophobicContact CD1-CB 3.87Å; I185-V246 HydrophobicContact CD1-CG1 4.24Å; I185-V246 HydrophobicContact CD1-CG2 3.66Å; I185-V246 HydrophobicContact CG1-CB 4.24Å; I185-V246 HydrophobicContact CG1-CG1 4.04Å; I185-V246 HydrophobicContact CG1-CG2 4.21Å; A193-V246 CarbonylContact C-O 3.47Å; A193-V246 VanDerWaalsContact CA-O 3.24Å; A193-V246 WeakPolarHBondContact CA-O 3.48Å; A194-V246 HydrophobicContact CB-CB 4.32Å; A194-V246 PolarHBondContact N-O 3.05Å; A194-V246 PolarHBondContact O-N 2.79Å; V246-I298 HydrophobicContact CG2-CD1 4.17Å
247A98.7Very high96.8Very high0 Ų026.8 Ų26.80%014%0.141CC..EExtended strand (participates in β ladder)trans-106.6128.7-171.700000111L156 K165 A166 A192 I245 L249 W252L156-A247 HydrophobicContact CD1-CB 3.99Å; K165-A247 CarbonylContact C-O 3.5Å; K165-A247 WeakPolarHBondContact CA-O 2.92Å; K165-A247 VanDerWaalsContact CG-O 3.31Å; K165-A247 WeakPolarHBondContact CG-O 3.35Å; A166-A247 PolarHBondContact N-O 3.03Å; A166-A247 PolarHBondContact O-N 3.42Å; A192-A247 CarbonylContact O-C 3.38Å; A192-A247 WeakPolarHBondContact O-CA 3.33Å; I245-A247 HydrophobicContact CG2-CB 4.26Å; A247-L249 HydrophobicContact CB-CD2 3.89Å; A247-L249 PolarHBondContact O-N 2.79Å; A247-W252 HydrophobicContact CB-CE3 4.08Å; A247-W252 HydrophobicContact CB-CZ3 4.27Å
248N98.6Very high97.1Very high17 Ų1726.5 Ų26.59%0.09114%0.139CC..EExtended strand (participates in β ladder)trans-81.4102160.4-171.8-47.9000107.6E164 L187 A192 T250 E251 W252E164-N248 CarbonylContact O-C 3.15Å; E164-N248 WeakPolarHBondContact O-CA 3.41Å; E164-N248 PolarHBondContact O-OD1 3.04Å; E164-N248 PolarHBondContact OE1-ND2 2.83Å; L187-N248 HydrophobicContact CD1-CB 3.64Å; A192-N248 PolarHBondContact O-N 3.24Å; N248-T250 VanDerWaalsContact C-N 3.27Å; N248-T250 PolarHBondContact O-N 2.95Å; N248-T250 WeakPolarHBondContact OD1-CA 3.22Å; N248-T250 VanDerWaalsContact OD1-CB 3.3Å; N248-T250 WeakPolarHBondContact OD1-CB 3.48Å; N248-T250 PolarHBondContact OD1-N 3.3Å; N248-E251 HydrophobicContact CB-CB 4.23Å; N248-E251 PolarHBondContact O-N 2.88Å; N248-E251 PolarHBondContact OD1-N 3.16Å; N248-W252 VanDerWaalsContact O-CB 3.27Å; N248-W252 WeakPolarHBondContact O-CB 2.93Å; N248-W252 PolarHBondContact O-N 2.96Å
249L98.4Very high97.4Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-68.5-26.9-177.7-56.5-172.9000112.4L156 P157 I160 V163 E164 A166 A247 K253L156-L249 HydrophobicContact CB-CD2 3.91Å; P157-L249 HydrophobicContact CG-CD2 4.16Å; I160-L249 HydrophobicContact CB-CD1 3.92Å; I160-L249 HydrophobicContact CG2-CD1 3.81Å; I160-L249 VanDerWaalsContact O-CD1 3.31Å; I160-L249 WeakPolarHBondContact O-CD1 3.39Å; V163-L249 HydrophobicContact CG2-CD1 3.75Å; E164-L249 PolarHBondContact O-N 3.49Å; A166-L249 HydrophobicContact CB-CD1 3.84Å; A166-L249 HydrophobicContact CB-CD2 4.37Å; A166-L249 HydrophobicContact CB-CG 4.17Å; A247-L249 HydrophobicContact CB-CD2 3.89Å; A247-L249 PolarHBondContact O-N 2.79Å; L249-K253 WeakPolarHBondContact O-CB 3.17Å; L249-K253 WeakPolarHBondContact O-CE 3Å; L249-K253 WeakPolarHBondContact O-CG 3.03Å; L249-K253 PolarHBondContact O-N 2.82Å; L249-K253 VanDerWaalsContact O-N 3.11Å
250T97.7Very high97.7Very high56 Ų5633.6 Ų33.634%0.34417%0.169SC..Hα-helixtrans-64.6-52.4172.4-60.50000109.9N248 W252 K253 N254N248-T250 VanDerWaalsContact C-N 3.27Å; N248-T250 PolarHBondContact O-N 2.95Å; N248-T250 WeakPolarHBondContact OD1-CA 3.22Å; N248-T250 VanDerWaalsContact OD1-CB 3.3Å; N248-T250 WeakPolarHBondContact OD1-CB 3.48Å; N248-T250 PolarHBondContact OD1-N 3.3Å; T250-W252 PolarHBondContact O-N 2.84Å; T250-K253 PolarHBondContact O-N 3.2Å; T250-N254 VanDerWaalsContact O-CG 3.22Å; T250-N254 PolarHBondContact O-N 3.26Å; T250-N254 PolarHBondContact O-ND2 3.09Å
251E98.3Very high97.9Very high53 Ų5333.5 Ų33.525%0.24817%0.169CC..Hα-helixtrans-69.4-32.7178.2-67-60.5-113.500113.7A192 N248 K253 N254 Q255A192-E251 HydrophobicContact CB-CB 4.02Å; N248-E251 HydrophobicContact CB-CB 4.23Å; N248-E251 PolarHBondContact O-N 2.88Å; N248-E251 PolarHBondContact OD1-N 3.16Å; E251-K253 VanDerWaalsContact C-N 3.28Å; E251-K253 PolarHBondContact O-N 2.81Å; E251-N254 PolarHBondContact O-N 3.43Å; E251-N254 PolarHBondContact OE2-ND2 3.36Å; E251-Q255 WeakPolarHBondContact O-CB 3.4Å; E251-Q255 WeakPolarHBondContact O-CG 3.48Å; E251-Q255 PolarHBondContact O-N 2.95Å
252W98.6Very high98Very high2 Ų234.5 Ų34.51%0.00817%0.173CC..Hα-helixtrans-58.3-42.5172.5-165.4-68.3000111.7L156 P157 A192 A193 A247 N248 T250 N256 V257 T258 L261 F291L156-W252 HydrophobicContact CD1-CH2 4.5Å; P157-W252 HydrophobicContact CG-CB 4.11Å; P157-W252 HydrophobicContact CG-CG 3.78Å; A192-W252 HydrophobicContact CB-CB 4.26Å; A192-W252 HydrophobicContact CB-CE3 4.46Å; A193-W252 HydrophobicContact CB-CE3 4.47Å; A193-W252 HydrophobicContact CB-CZ3 4.06Å; A247-W252 HydrophobicContact CB-CE3 4.08Å; A247-W252 HydrophobicContact CB-CZ3 4.27Å; N248-W252 VanDerWaalsContact O-CB 3.27Å; N248-W252 WeakPolarHBondContact O-CB 2.93Å; N248-W252 PolarHBondContact O-N 2.96Å; T250-W252 PolarHBondContact O-N 2.84Å; W252-N256 PolarHBondContact O-N 3.45Å; W252-V257 HydrophobicContact CD2-CB 3.85Å; W252-V257 HydrophobicContact CD2-CG1 3.69Å; W252-V257 HydrophobicContact CD2-CG2 4.38Å; W252-V257 HydrophobicContact CE3-CG1 4.18Å; W252-V257 HydrophobicContact CG-CB 3.8Å; W252-V257 HydrophobicContact CG-CG1 4.2Å; W252-V257 HydrophobicContact CG-CG2 4.23Å; W252-V257 HydrophobicContact CH2-CG1 4Å; W252-V257 HydrophobicContact CZ2-CB 4.36Å; W252-V257 HydrophobicContact CZ2-CG1 3.47Å; W252-V257 VanDerWaalsContact CZ2-CG1 3.47Å; W252-V257 HydrophobicContact CZ3-CG1 4.34Å; W252-V257 PolarHBondContact O-N 2.66Å; W252-T258 PolarHBondContact NE1-OG1 3.08Å; W252-L261 HydrophobicContact CH2-CD1 4.36Å; W252-L261 HydrophobicContact CZ2-CD1 3.73Å; W252-F291 AromaticContact CE3-CZ 3.88Å; W252-F291 HydrophobicContact CE3-CZ 3.88Å; W252-F291 AromaticContact CH2-CE2 3.88Å; W252-F291 HydrophobicContact CH2-CE2 3.88Å; W252-F291 AromaticContact CH2-CZ 3.78Å; W252-F291 HydrophobicContact CH2-CZ 3.78Å; W252-F291 HydrophobicContact CZ3-CE1 4.44Å; W252-F291 AromaticContact CZ3-CE2 3.97Å; W252-F291 HydrophobicContact CZ3-CE2 3.97Å; W252-F291 AromaticContact CZ3-CZ 3.42Å; W252-F291 HydrophobicContact CZ3-CZ 3.42Å; W252-F291 VanDerWaalsContact CZ3-CZ 3.42Å
253K98.3Very high98.2Very high95 Ų9541 Ų4141%0.41320%0.2SC..Hα-helixtrans-72-48.8175.9-75.4177.4-73.6176.40111.7P157 L249 T250 E251 Q255 N256P157-K253 HydrophobicContact CB-CD 3.96Å; P157-K253 HydrophobicContact CB-CG 3.72Å; P157-K253 HydrophobicContact CG-CG 4.11Å; L249-K253 WeakPolarHBondContact O-CB 3.17Å; L249-K253 WeakPolarHBondContact O-CE 3Å; L249-K253 WeakPolarHBondContact O-CG 3.03Å; L249-K253 PolarHBondContact O-N 2.82Å; L249-K253 VanDerWaalsContact O-N 3.11Å; T250-K253 PolarHBondContact O-N 3.2Å; E251-K253 VanDerWaalsContact C-N 3.28Å; E251-K253 PolarHBondContact O-N 2.81Å; K253-Q255 PolarHBondContact O-N 2.78Å; K253-N256 PolarHBondContact O-N 3.44Å; K253-N256 PolarHBondContact O-OD1 3.16Å
254N98.1Very high98.3Very high109 Ų10942.3 Ų42.358%0.58321%0.205SC*.Hα-helixtrans-57.6-35.1-178.7-70-16.4000112.4T250 E251T250-N254 VanDerWaalsContact O-CG 3.22Å; T250-N254 PolarHBondContact O-N 3.26Å; T250-N254 PolarHBondContact O-ND2 3.09Å; E251-N254 PolarHBondContact O-N 3.43Å; E251-N254 PolarHBondContact OE2-ND2 3.36Å
255Q98.4Very high98.1Very high53 Ų5342.6 Ų42.625%0.24821%0.207CC..THydrogen-bonded Turntrans-91.72.6179-61.4-179.848.600113.4G190 E251 K253 V257 Q260G190-Q255 PolarHBondContact O-NE2 2.75Å; E251-Q255 WeakPolarHBondContact O-CB 3.4Å; E251-Q255 WeakPolarHBondContact O-CG 3.48Å; E251-Q255 PolarHBondContact O-N 2.95Å; K253-Q255 PolarHBondContact O-N 2.78Å; Q255-V257 HydrophobicContact CB-CG2 4Å; Q255-V257 PolarHBondContact O-N 2.97Å; Q255-Q260 PolarHBondContact O-NE2 3.36Å
256N98.5Very high97.9Very high85 Ų8547.2 Ų47.246%0.45523%0.229SC..THydrogen-bonded Turntrans51.940.5-176.7-63.5-48.1000113.2W252 K253 T258 Q259 Q260W252-N256 PolarHBondContact O-N 3.45Å; K253-N256 PolarHBondContact O-N 3.44Å; K253-N256 PolarHBondContact O-OD1 3.16Å; N256-T258 VanDerWaalsContact C-N 3.32Å; N256-T258 PolarHBondContact O-N 3.4Å; N256-Q259 HydrophobicContact CB-CB 4.39Å; N256-Q259 PolarHBondContact O-N 2.86Å; N256-Q259 VanDerWaalsContact O-N 3.15Å; N256-Q260 PolarHBondContact O-N 3.41Å; N256-Q260 VanDerWaalsContact O-N 3.12Å
257V98.8Very high97.8Very high2 Ų251 Ų511%0.01224%0.243CC..Hα-helixtrans-58.2-42.6-173.3170.70000111.6A192 W252 Q255 Q259 Q260 L261 V290 F291A192-V257 HydrophobicContact CB-CG2 4.09Å; W252-V257 HydrophobicContact CD2-CB 3.85Å; W252-V257 HydrophobicContact CD2-CG1 3.69Å; W252-V257 HydrophobicContact CD2-CG2 4.38Å; W252-V257 HydrophobicContact CE3-CG1 4.18Å; W252-V257 HydrophobicContact CG-CB 3.8Å; W252-V257 HydrophobicContact CG-CG1 4.2Å; W252-V257 HydrophobicContact CG-CG2 4.23Å; W252-V257 HydrophobicContact CH2-CG1 4Å; W252-V257 HydrophobicContact CZ2-CB 4.36Å; W252-V257 HydrophobicContact CZ2-CG1 3.47Å; W252-V257 VanDerWaalsContact CZ2-CG1 3.47Å; W252-V257 HydrophobicContact CZ3-CG1 4.34Å; W252-V257 PolarHBondContact O-N 2.66Å; Q255-V257 HydrophobicContact CB-CG2 4Å; Q255-V257 PolarHBondContact O-N 2.97Å; V257-Q259 VanDerWaalsContact C-N 3.34Å; V257-Q259 PolarHBondContact O-N 3.09Å; V257-Q260 WeakPolarHBondContact O-CB 3.48Å; V257-Q260 PolarHBondContact O-N 2.84Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; V257-L261 HydrophobicContact CG1-CD1 4Å; V257-L261 HydrophobicContact CG1-CG 4.31Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 3.42Å; V257-V290 HydrophobicContact CG1-CG1 3.94Å; V257-F291 HydrophobicContact CG1-CE2 3.89Å; V257-F291 HydrophobicContact CG1-CZ 3.62Å
258T98.5Very high97.5Very high27 Ų2752.5 Ų52.517%0.16625%0.251CS..Hα-helixtrans-56.5-46.2177.7-61.50000111.9F154 Y155 W252 N256 Q260 L261 E262F154-T258 WeakPolarHBondContact O-CB 3.18Å; F154-T258 WeakPolarHBondContact O-CG2 3.45Å; F154-T258 PolarHBondContact O-OG1 2.96Å; Y155-T258 HydrophobicContact CD1-CG2 3.56Å; Y155-T258 HydrophobicContact CE1-CG2 3.75Å; Y155-T258 HydrophobicContact CG-CG2 4.43Å; W252-T258 PolarHBondContact NE1-OG1 3.08Å; N256-T258 VanDerWaalsContact C-N 3.32Å; N256-T258 PolarHBondContact O-N 3.4Å; T258-Q260 VanDerWaalsContact C-N 3.32Å; T258-Q260 PolarHBondContact O-N 3.01Å; T258-L261 WeakPolarHBondContact O-CB 3.45Å; T258-L261 PolarHBondContact O-N 2.53Å; T258-E262 WeakPolarHBondContact O-CG 3.48Å; T258-E262 PolarHBondContact O-N 2.78Å
259Q98.5Very high97.1Very high114 Ų11453.3 Ų53.353%0.53326%0.258SS..Hα-helixtrans-65.6-35.6178.8-64.91695.700112N256 V257 K263N256-Q259 HydrophobicContact CB-CB 4.39Å; N256-Q259 PolarHBondContact O-N 2.86Å; N256-Q259 VanDerWaalsContact O-N 3.15Å; V257-Q259 VanDerWaalsContact C-N 3.34Å; V257-Q259 PolarHBondContact O-N 3.09Å; Q259-K263 WeakPolarHBondContact O-CB 3.33Å; Q259-K263 PolarHBondContact O-N 2.93Å
260Q98.6Very high96.7Very high66 Ų6659.9 Ų59.931%0.30829%0.289SS..Hα-helixtrans-65.1-42174.3-64.8-177.261.800111.7Q255 N256 V257 T258 K263 W264 V290Q255-Q260 PolarHBondContact O-NE2 3.36Å; N256-Q260 PolarHBondContact O-N 3.41Å; N256-Q260 VanDerWaalsContact O-N 3.12Å; V257-Q260 WeakPolarHBondContact O-CB 3.48Å; V257-Q260 PolarHBondContact O-N 2.84Å; V257-Q260 VanDerWaalsContact O-N 3.14Å; T258-Q260 VanDerWaalsContact C-N 3.32Å; T258-Q260 PolarHBondContact O-N 3.01Å; Q260-K263 PolarHBondContact O-N 3.05Å; Q260-W264 PolarHBondContact O-N 3.1Å; Q260-V290 HydrophobicContact CB-CG1 4.27Å; Q260-V290 HydrophobicContact CB-CG2 3.78Å
261L98.4Very high96.4Very high0 Ų060.8 Ų60.80%029%0.289CS..Hα-helixtrans-62.1-48.2176.2-65.9169.2000110.8F154 W252 V257 T258 K263 W264 M265 P286 L287 V290F154-L261 HydrophobicContact CB-CD1 3.93Å; F154-L261 HydrophobicContact CD1-CD1 3.88Å; F154-L261 HydrophobicContact CD2-CB 3.99Å; F154-L261 HydrophobicContact CD2-CD1 4.37Å; F154-L261 HydrophobicContact CE2-CB 4.32Å; F154-L261 HydrophobicContact CG-CB 4.27Å; F154-L261 HydrophobicContact CG-CD1 3.82Å; W252-L261 HydrophobicContact CH2-CD1 4.36Å; W252-L261 HydrophobicContact CZ2-CD1 3.73Å; V257-L261 HydrophobicContact CG1-CD1 4Å; V257-L261 HydrophobicContact CG1-CG 4.31Å; V257-L261 WeakPolarHBondContact O-CG 3.42Å; V257-L261 PolarHBondContact O-N 3.42Å; T258-L261 WeakPolarHBondContact O-CB 3.45Å; T258-L261 PolarHBondContact O-N 2.53Å; L261-K263 VanDerWaalsContact C-N 3.32Å; L261-K263 PolarHBondContact O-N 3.33Å; L261-W264 PolarHBondContact O-N 2.8Å; L261-W264 VanDerWaalsContact O-N 3.12Å; L261-M265 WeakPolarHBondContact O-CG 3.21Å; L261-M265 PolarHBondContact O-N 2.85Å; L261-P286 HydrophobicContact CD2-CB 3.85Å; L261-P286 WeakPolarHBondContact CD2-O 3.4Å; L261-L287 HydrophobicContact CD1-CD2 4.02Å; L261-L287 HydrophobicContact CD2-CD2 3.79Å; L261-L287 HydrophobicContact CD2-CG 4.11Å; L261-V290 HydrophobicContact CD2-CB 3.94Å; L261-V290 HydrophobicContact CD2-CG1 4.47Å; L261-V290 HydrophobicContact CD2-CG2 3.72Å; L261-V290 HydrophobicContact CG-CG2 4.22Å
262E97.4Very high96.1Very high38 Ų3862 Ų6218%0.17830%0.297CS..Hα-helixtrans-57.5-43.5176.5-70.2177.9137.400112.3K135 Y155 T258 W264 M265 E266K135-E262 HydrophobicContact CD-CB 4.09Å; K135-E262 HydrophobicContact CD-CG 4.02Å; K135-E262 IonicContact NZ-OE1 3.67Å; K135-E262 PolarHBondContact NZ-OE1 3.18Å; Y155-E262 HydrophobicContact CE1-CG 4.4Å; Y155-E262 VanDerWaalsContact CE1-OE1 3.3Å; Y155-E262 WeakPolarHBondContact CE1-OE1 3.04Å; Y155-E262 PolarHBondContact OH-OE1 2.95Å; T258-E262 WeakPolarHBondContact O-CG 3.48Å; T258-E262 PolarHBondContact O-N 2.78Å; E262-W264 VanDerWaalsContact C-N 3.27Å; E262-W264 PolarHBondContact O-N 2.93Å; E262-M265 WeakPolarHBondContact O-CB 3.29Å; E262-M265 PolarHBondContact O-N 3.07Å; E262-M265 VanDerWaalsContact O-N 3.13Å; E262-E266 PolarHBondContact O-N 2.74Å
263K97.6Very high95.8Very high143 Ų14362 Ų6262%0.62230%0.297SS*.Hα-helixtrans-58.5-39.6176.8-176.4179.5-179174.90112.1Q259 Q260 L261 R267Q259-K263 WeakPolarHBondContact O-CB 3.33Å; Q259-K263 PolarHBondContact O-N 2.93Å; Q260-K263 PolarHBondContact O-N 3.05Å; L261-K263 VanDerWaalsContact C-N 3.32Å; L261-K263 PolarHBondContact O-N 3.33Å; K263-R267 VanDerWaalsContact O-CB 3.25Å; K263-R267 WeakPolarHBondContact O-CB 3.36Å; K263-R267 PolarHBondContact O-N 2.87Å
264W96.9Very high95.4Very high28 Ų2858.3 Ų58.311%0.10628%0.281CS..Hα-helixtrans-72.2-34.4177.3-78.8112.5000112.7I228 L231 Q260 L261 E262 N268 L273 Y274 P286 I289I228-W264 HydrophobicContact CD1-CZ3 4.45Å; L231-W264 HydrophobicContact CD1-CH2 3.59Å; L231-W264 HydrophobicContact CD1-CZ2 3.88Å; L231-W264 HydrophobicContact CD1-CZ3 4.35Å; L231-W264 HydrophobicContact CD2-CH2 3.75Å; L231-W264 HydrophobicContact CD2-CZ2 3.63Å; L231-W264 HydrophobicContact CG-CH2 4.06Å; L231-W264 HydrophobicContact CG-CZ2 4.32Å; Q260-W264 PolarHBondContact O-N 3.1Å; L261-W264 PolarHBondContact O-N 2.8Å; L261-W264 VanDerWaalsContact O-N 3.12Å; E262-W264 VanDerWaalsContact C-N 3.27Å; E262-W264 PolarHBondContact O-N 2.93Å; W264-N268 WeakPolarHBondContact O-CB 3.14Å; W264-N268 PolarHBondContact O-N 3.04Å; W264-L273 HydrophobicContact CE3-CD1 4.17Å; W264-L273 HydrophobicContact CZ3-CD1 3.86Å; W264-Y274 VanDerWaalsContact C-OH 3.28Å; W264-Y274 PolarHBondContact O-OH 2.81Å; W264-P286 HydrophobicContact CB-CB 4.13Å; W264-I289 HydrophobicContact CD2-CD1 3.83Å; W264-I289 HydrophobicContact CD2-CG2 3.95Å; W264-I289 HydrophobicContact CE3-CD1 3.77Å; W264-I289 HydrophobicContact CG-CD1 4.21Å; W264-I289 HydrophobicContact CG-CG2 4.3Å; W264-I289 HydrophobicContact CH2-CG2 4.37Å; W264-I289 HydrophobicContact CZ2-CG2 3.6Å; W264-I289 HydrophobicContact CZ3-CD1 4.22Å; W264-I289 VanDerWaalsContact NE1-CG2 3.32Å
265M94.8Very high94.7Very high7 Ų753.8 Ų53.83%0.03426%0.258CS..Hα-helixtrans-62.6-52.1172.7-65.2171.360.300111.2L132 K135 I136 F151 F154 L261 E262 R267 N268 S269 P286L132-M265 HydrophobicContact CD2-CE 3.99Å; K135-M265 HydrophobicContact CB-CB 4.02Å; K135-M265 HydrophobicContact CB-CE 3.81Å; K135-M265 CarbonylContact O-C 3.59Å; K135-M265 VanDerWaalsContact O-CB 3.28Å; K135-M265 WeakPolarHBondContact O-CB 3.44Å; K135-M265 VanDerWaalsContact O-O 3.06Å; I136-M265 HydrophobicContact CG1-CE 4.08Å; F151-M265 HydrophobicContact CD1-CE 3.42Å; F151-M265 VanDerWaalsContact CD1-CE 3.42Å; F151-M265 HydrophobicContact CD1-SD 3.94Å; F151-M265 HydrophobicContact CE1-CE 3.25Å; F151-M265 HydrophobicContact CE1-SD 3.99Å; F151-M265 HydrophobicContact CG-CE 4.38Å; F151-M265 HydrophobicContact CZ-CE 4.09Å; F154-M265 HydrophobicContact CD2-SD 3.52Å; F154-M265 VanDerWaalsContact CD2-SD 3.52Å; F154-M265 HydrophobicContact CE2-CG 3.96Å; F154-M265 HydrophobicContact CE2-SD 3.41Å; F154-M265 WeakPolarHBondContact CE2-SD 3.22Å; L261-M265 WeakPolarHBondContact O-CG 3.21Å; L261-M265 PolarHBondContact O-N 2.85Å; E262-M265 WeakPolarHBondContact O-CB 3.29Å; E262-M265 PolarHBondContact O-N 3.07Å; E262-M265 VanDerWaalsContact O-N 3.13Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.89Å; M265-N268 PolarHBondContact O-N 3.06Å; M265-S269 PolarHBondContact O-N 2.84Å; M265-P286 HydrophobicContact CG-CG 4.08Å
266E94.8Very high93.4Very high97 Ų9756.9 Ų56.945%0.45328%0.276SS..Hα-helixtrans-58.3-45.6177.2-179.6179.1-166.400111.5E262 N268 S269E262-E266 PolarHBondContact O-N 2.74Å; E266-N268 VanDerWaalsContact C-N 3.32Å; E266-N268 PolarHBondContact O-N 3.04Å; E266-S269 PolarHBondContact O-N 2.9Å; E266-S269 PolarHBondContact O-OG 2.85Å
267R95.2Very high91.8Very high80 Ų8056.8 Ų56.830%0.30228%0.279SS..Hα-helixtrans-63.1-40.1178.6-166.3179.9-176.6173.24.5112.3A227 K263 M265 S269 Q270 E271 L273A227-R267 VanDerWaalsContact CB-CZ 3.44Å; K263-R267 VanDerWaalsContact O-CB 3.25Å; K263-R267 WeakPolarHBondContact O-CB 3.36Å; K263-R267 PolarHBondContact O-N 2.87Å; M265-R267 VanDerWaalsContact C-N 3.34Å; M265-R267 PolarHBondContact O-N 2.89Å; R267-S269 VanDerWaalsContact C-N 3.31Å; R267-S269 PolarHBondContact O-N 3.22Å; R267-Q270 PolarHBondContact O-N 3.43Å; R267-E271 HydrophobicContact CG-CG 4.45Å; R267-E271 VanDerWaalsContact CG-OE1 3.25Å; R267-E271 WeakPolarHBondContact CG-OE1 3.32Å; R267-E271 IonicContact CZ-OE1 3.97Å; R267-E271 IonicContact CZ-OE2 3.54Å; R267-E271 IonicContact NE-OE1 2.67Å; R267-E271 PolarHBondContact NE-OE1 3.04Å; R267-E271 IonicContact NE-OE2 2.77Å; R267-E271 IonicContact NH2-OE1 3.52Å; R267-E271 PolarHBondContact NH2-OE1 3.5Å; R267-E271 IonicContact NH2-OE2 3.54Å; R267-E271 PolarHBondContact O-N 3.11Å; R267-L273 HydrophobicContact CB-CD1 4.38Å; R267-L273 HydrophobicContact CG-CD1 3.81Å
268N92.8Very high90Very high30 Ų3058.8 Ų58.816%0.1629%0.289CS..Hα-helixtrans-64.6-35.4176.6-176.168.8000112.3W264 M265 E266 Q270 D272 L273 Y274W264-N268 WeakPolarHBondContact O-CB 3.14Å; W264-N268 PolarHBondContact O-N 3.04Å; M265-N268 PolarHBondContact O-N 3.06Å; E266-N268 VanDerWaalsContact C-N 3.32Å; E266-N268 PolarHBondContact O-N 3.04Å; N268-Q270 PolarHBondContact O-N 2.79Å; N268-Q270 VanDerWaalsContact O-N 3.15Å; N268-D272 WeakPolarHBondContact O-CA 3.48Å; N268-D272 PolarHBondContact O-N 2.94Å; N268-L273 WeakPolarHBondContact OD1-CA 3.4Å; N268-L273 PolarHBondContact OD1-N 3.13Å; N268-Y274 HydrophobicContact CB-CD1 4.39Å; N268-Y274 HydrophobicContact CB-CD2 4.12Å; N268-Y274 HydrophobicContact CB-CE1 3.91Å; N268-Y274 HydrophobicContact CB-CE2 3.63Å; N268-Y274 HydrophobicContact CB-CG 4.46Å; N268-Y274 VanDerWaalsContact CB-CZ 3.49Å; N268-Y274 VanDerWaalsContact CG-CE2 3.4Å; N268-Y274 VanDerWaalsContact ND2-CD2 3.34Å; N268-Y274 WeakPolarHBondContact ND2-CD2 2.97Å; N268-Y274 WeakPolarHBondContact OD1-CD1 3.38Å; N268-Y274 WeakPolarHBondContact OD1-CD2 3.26Å; N268-Y274 VanDerWaalsContact OD1-CG 3.23Å; N268-Y274 PolarHBondContact OD1-N 3.06Å
269S89.9Confident87.5Confident35 Ų3558.6 Ų58.625%0.24529%0.29CS..Hα-helixtrans-63.1-19.5177.784.10000113.3M265 E266 R267M265-S269 PolarHBondContact O-N 2.84Å; E266-S269 PolarHBondContact O-N 2.9Å; E266-S269 PolarHBondContact O-OG 2.85Å; R267-S269 VanDerWaalsContact C-N 3.31Å; R267-S269 PolarHBondContact O-N 3.22Å
270Q90.8Very high85.5Confident138 Ų13862.1 Ų62.165%0.64531%0.307SS*.Hα-helixtrans-103.2-38.5-179.8-60.8175.53.800113.2R267 N268R267-Q270 PolarHBondContact O-N 3.43Å; N268-Q270 PolarHBondContact O-N 2.79Å; N268-Q270 VanDerWaalsContact O-N 3.15Å
271E91.8Very high84.2Confident74 Ų7460.6 Ų60.635%0.34630%0.303SS..Hα-helixtrans-108.7-8.9-169.2-65.3-177.9-134.600114.3K225 A227 R267 L273K225-E271 PolarHBondContact NZ-O 3.47Å; A227-E271 WeakPolarHBondContact CB-OE2 3.4Å; R267-E271 HydrophobicContact CG-CG 4.45Å; R267-E271 VanDerWaalsContact CG-OE1 3.25Å; R267-E271 WeakPolarHBondContact CG-OE1 3.32Å; R267-E271 IonicContact CZ-OE1 3.97Å; R267-E271 IonicContact CZ-OE2 3.54Å; R267-E271 IonicContact NE-OE1 2.67Å; R267-E271 PolarHBondContact NE-OE1 3.04Å; R267-E271 IonicContact NE-OE2 2.77Å; R267-E271 IonicContact NH2-OE1 3.52Å; R267-E271 PolarHBondContact NH2-OE1 3.5Å; R267-E271 IonicContact NH2-OE2 3.54Å; R267-E271 PolarHBondContact O-N 3.11Å; E271-L273 HydrophobicContact CB-CD1 4.41Å; E271-L273 HydrophobicContact CB-CD2 3.54Å; E271-L273 HydrophobicContact CB-CG 3.78Å
272D90.6Very high83.5Confident80 Ų8062 Ų6243%0.42831%0.311SS..  trans51.166.4-177.4-175.643.7000111.3K225 N268K225-D272 WeakPolarHBondContact CE-O 3.34Å; K225-D272 PolarHBondContact NZ-O 3.17Å; N268-D272 WeakPolarHBondContact O-CA 3.48Å; N268-D272 PolarHBondContact O-N 2.94Å
273L92.3Very high83.1Confident0 Ų060.4 Ų60.40%030%0.303CS..  trans-89.6-17.8-170-62.2-175.3000113.9D222 K225 A227 I228 W264 R267 N268 E271D222-L273 PolarHBondContact N-O 3.33Å; K225-L273 HydrophobicContact CB-CD2 3.82Å; K225-L273 HydrophobicContact CD-CD2 4.42Å; K225-L273 HydrophobicContact CG-CD2 4.03Å; A227-L273 HydrophobicContact CB-CD1 4.02Å; A227-L273 HydrophobicContact CB-CD2 3.66Å; I228-L273 HydrophobicContact CD1-CB 4.14Å; I228-L273 HydrophobicContact CD1-CD1 4.41Å; I228-L273 HydrophobicContact CG1-CB 4.26Å; W264-L273 HydrophobicContact CE3-CD1 4.17Å; W264-L273 HydrophobicContact CZ3-CD1 3.86Å; R267-L273 HydrophobicContact CB-CD1 4.38Å; R267-L273 HydrophobicContact CG-CD1 3.81Å; N268-L273 WeakPolarHBondContact OD1-CA 3.4Å; N268-L273 PolarHBondContact OD1-N 3.13Å; E271-L273 HydrophobicContact CB-CD1 4.41Å; E271-L273 HydrophobicContact CB-CD2 3.54Å; E271-L273 HydrophobicContact CB-CG 3.78Å
274Y91.3Very high82.9Confident18 Ų1853.9 Ų53.97%0.07128%0.275CS..BIsolated β-bridgetrans-92146.1-174.2-56-16.6000110.4F220 L221 W264 N268 P285 P286 I289F220-Y274 WeakPolarHBondContact O-CA 3.42Å; L221-Y274 HydrophobicContact CD2-CD1 4.03Å; L221-Y274 HydrophobicContact CD2-CE1 4.38Å; W264-Y274 VanDerWaalsContact C-OH 3.28Å; W264-Y274 PolarHBondContact O-OH 2.81Å; N268-Y274 HydrophobicContact CB-CD1 4.39Å; N268-Y274 HydrophobicContact CB-CD2 4.12Å; N268-Y274 HydrophobicContact CB-CE1 3.91Å; N268-Y274 HydrophobicContact CB-CE2 3.63Å; N268-Y274 HydrophobicContact CB-CG 4.46Å; N268-Y274 VanDerWaalsContact CB-CZ 3.49Å; N268-Y274 VanDerWaalsContact CG-CE2 3.4Å; N268-Y274 VanDerWaalsContact ND2-CD2 3.34Å; N268-Y274 WeakPolarHBondContact ND2-CD2 2.97Å; N268-Y274 WeakPolarHBondContact OD1-CD1 3.38Å; N268-Y274 WeakPolarHBondContact OD1-CD2 3.26Å; N268-Y274 VanDerWaalsContact OD1-CG 3.23Å; N268-Y274 PolarHBondContact OD1-N 3.06Å; Y274-P285 HydrophobicContact CD1-CB 3.39Å; Y274-P285 HydrophobicContact CD1-CG 4.06Å; Y274-P285 HydrophobicContact CD2-CB 3.7Å; Y274-P285 HydrophobicContact CD2-CG 3.67Å; Y274-P285 HydrophobicContact CE1-CB 3.55Å; Y274-P285 HydrophobicContact CE2-CB 3.81Å; Y274-P285 HydrophobicContact CE2-CG 4.16Å; Y274-P285 HydrophobicContact CG-CB 3.51Å; Y274-P285 HydrophobicContact CG-CG 3.63Å; Y274-P286 HydrophobicContact CE2-CG 4.1Å; Y274-P286 VanDerWaalsContact OH-CG 3.3Å; Y274-P286 WeakPolarHBondContact OH-CG 3.38Å; Y274-I289 HydrophobicContact CE1-CD1 4.17Å
275S83.8Confident82.8Confident15 Ų1552.7 Ų52.711%0.10527%0.271CS..  trans-73.5137.2-179.9174.90000110.5G219 F220 T277 A279G219-S275 WeakPolarHBondContact O-CB 3.46Å; G219-S275 PolarHBondContact O-OG 3.12Å; F220-S275 PolarHBondContact O-N 2.82Å; S275-T277 PolarHBondContact O-N 2.98Å; S275-T277 PolarHBondContact OG-N 2.85Å; S275-T277 PolarHBondContact OG-OG1 3.11Å; S275-A279 WeakPolarHBondContact O-CB 3.44Å
276N70.5Confident82.9Confident117 Ų11752.3 Ų52.363%0.62627%0.27SS*.SBendtrans-74.9-0.2175.5-70.7-39000114.2
277T65.1Low83Confident84 Ų8447.7 Ų47.752%0.51525%0.248SC..SBendtrans-84.1-44.7-170.8-52.10000114.1Q214 S275Q214-T277 HydrophobicContact CG-CG2 4.42Å; S275-T277 PolarHBondContact O-N 2.98Å; S275-T277 PolarHBondContact OG-N 2.85Å; S275-T277 PolarHBondContact OG-OG1 3.11Å
278L59.8Low83.1Confident43 Ų4343.9 Ų43.923%0.22523%0.234CC..SBendtrans-115.919.7172.7-66.5-177.2000111.7Q214 G219 F220 E280Q214-L278 HydrophobicContact CB-CD1 3.55Å; Q214-L278 HydrophobicContact CB-CD2 4Å; Q214-L278 HydrophobicContact CB-CG 3.81Å; Q214-L278 WeakPolarHBondContact O-CD1 3.18Å; G219-L278 PolarHBondContact O-N 3.27Å; F220-L278 HydrophobicContact CD1-CB 4.44Å; F220-L278 HydrophobicContact CE1-CB 4.16Å; F220-L278 HydrophobicContact CE1-CD1 4.38Å; F220-L278 HydrophobicContact CE2-CD1 4.06Å; F220-L278 HydrophobicContact CZ-CB 4.48Å; F220-L278 HydrophobicContact CZ-CD1 3.9Å; L278-E280 PolarHBondContact O-N 3.02Å
279A47.4Very low83.4Confident23 Ų2343.2 Ų43.219%0.1923%0.23CC..THydrogen-bonded Turntrans-68.11.4-166.100000115.9S275 S281S275-A279 WeakPolarHBondContact O-CB 3.44Å; A279-S281 PolarHBondContact O-N 3.36Å
280E55.3Low83.8Confident189 Ų18942.2 Ų42.288%0.88322%0.222SC*.THydrogen-bonded Turntrans-56.8-19170.7-67.1-172.9-179.300111.4L278L278-E280 PolarHBondContact O-N 3.02Å
281S72.7Confident84.2Confident34 Ų3435.8 Ų35.824%0.23819%0.192CC..  trans-101.881.3172-161.50000113.1A279 T283 T284 P285A279-S281 PolarHBondContact O-N 3.36Å; S281-T283 PolarHBondContact O-N 3.09Å; S281-T283 VanDerWaalsContact O-N 3.12Å; S281-T283 PolarHBondContact OG-OG1 3.49Å; S281-T284 WeakPolarHBondContact CB-OG1 3.48Å; S281-T284 PolarHBondContact O-N 2.86Å; S281-T284 WeakPolarHBondContact OG-CB 3.48Å; S281-T284 PolarHBondContact OG-N 2.87Å; S281-T284 PolarHBondContact OG-OG1 3.16Å; S281-P285 WeakPolarHBondContact O-CD 3.42Å
282I82.1Confident84.4Confident30 Ų3033.9 Ų33.915%0.15418%0.182CC..THydrogen-bonded Turntrans-59.4-20172.463.9-176.9000113.7A146 F151A146-I282 VanDerWaalsContact CA-CD1 3.46Å; A146-I282 HydrophobicContact CB-CD1 3.39Å; F151-I282 HydrophobicContact CE2-CD1 3.66Å; F151-I282 HydrophobicContact CE2-CG1 4.27Å; F151-I282 HydrophobicContact CZ-CD1 3.4Å; F151-I282 HydrophobicContact CZ-CG1 3.72Å
283T89.8Confident84.7Confident4 Ų436.9 Ų36.93%0.02519%0.191CC..THydrogen-bonded Turntrans-90.3-21.8-178.855.30000113.9F151 R153 F154 S281 P286 L287F151-T283 HydrophobicContact CD1-CG2 3.78Å; F151-T283 HydrophobicContact CD2-CG2 4.42Å; F151-T283 HydrophobicContact CE1-CG2 3.69Å; F151-T283 HydrophobicContact CE2-CG2 4.35Å; F151-T283 HydrophobicContact CG-CG2 4.17Å; F151-T283 HydrophobicContact CZ-CG2 4.01Å; R153-T283 PolarHBondContact NH1-OG1 2.76Å; F154-T283 HydrophobicContact CZ-CG2 4.17Å; F154-T283 VanDerWaalsContact CZ-O 3.24Å; F154-T283 WeakPolarHBondContact CZ-O 3.5Å; S281-T283 PolarHBondContact O-N 3.09Å; S281-T283 VanDerWaalsContact O-N 3.12Å; S281-T283 PolarHBondContact OG-OG1 3.49Å; T283-P286 WeakPolarHBondContact O-CD 3.37Å; T283-L287 WeakPolarHBondContact O-CD1 3.37Å
284T93.4Very high84.9Confident5 Ų543.7 Ų43.73%0.03122%0.217CC..Hα-helixtrans-72-44.9-176.5-65.10000112.9F220 P242 S281 L287 L288F220-T284 HydrophobicContact CD1-CG2 3.87Å; F220-T284 HydrophobicContact CE1-CG2 3.81Å; F220-T284 HydrophobicContact CG-CG2 4.43Å; F220-T284 HydrophobicContact CZ-CG2 4.34Å; P242-T284 WeakPolarHBondContact CG-OG1 3.28Å; S281-T284 WeakPolarHBondContact CB-OG1 3.48Å; S281-T284 PolarHBondContact O-N 2.86Å; S281-T284 WeakPolarHBondContact OG-CB 3.48Å; S281-T284 PolarHBondContact OG-N 2.87Å; S281-T284 PolarHBondContact OG-OG1 3.16Å; T284-L287 WeakPolarHBondContact O-CB 3.45Å; T284-L287 PolarHBondContact O-N 2.96Å; T284-L287 VanDerWaalsContact O-N 3.08Å; T284-L288 HydrophobicContact CG2-CD1 3.84Å; T284-L288 HydrophobicContact CG2-CD2 4.31Å; T284-L288 HydrophobicContact CG2-CG 3.82Å; T284-L288 WeakPolarHBondContact O-CG 3.28Å; T284-L288 PolarHBondContact O-N 2.84Å
285P95Very high85.2Confident3 Ų344.4 Ų44.42%0.01922%0.221CC..Hα-helixtrans-56-46.6-178.2-24.131000115.3F220 L221 Y274 S281 L287 L288 I289F220-P285 HydrophobicContact CB-CG 4.28Å; L221-P285 HydrophobicContact CD2-CB 3.76Å; Y274-P285 HydrophobicContact CD1-CB 3.39Å; Y274-P285 HydrophobicContact CD1-CG 4.06Å; Y274-P285 HydrophobicContact CD2-CB 3.7Å; Y274-P285 HydrophobicContact CD2-CG 3.67Å; Y274-P285 HydrophobicContact CE1-CB 3.55Å; Y274-P285 HydrophobicContact CE2-CB 3.81Å; Y274-P285 HydrophobicContact CE2-CG 4.16Å; Y274-P285 HydrophobicContact CG-CB 3.51Å; Y274-P285 HydrophobicContact CG-CG 3.63Å; S281-P285 WeakPolarHBondContact O-CD 3.42Å; P285-L287 VanDerWaalsContact C-N 3.27Å; P285-L287 PolarHBondContact O-N 3.09Å; P285-L288 PolarHBondContact O-N 2.98Å; P285-I289 WeakPolarHBondContact O-CG1 3.42Å; P285-I289 PolarHBondContact O-N 3.04Å
286P96.8Very high85.9Confident0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-55.3-43.1174-18.122.7000112.7F154 L261 W264 M265 Y274 T283 I289 V290F154-P286 HydrophobicContact CE2-CB 4.3Å; F154-P286 HydrophobicContact CE2-CG 4.18Å; F154-P286 HydrophobicContact CZ-CB 4.17Å; F154-P286 HydrophobicContact CZ-CG 4.05Å; L261-P286 HydrophobicContact CD2-CB 3.85Å; L261-P286 WeakPolarHBondContact CD2-O 3.4Å; W264-P286 HydrophobicContact CB-CB 4.13Å; M265-P286 HydrophobicContact CG-CG 4.08Å; Y274-P286 HydrophobicContact CE2-CG 4.1Å; Y274-P286 VanDerWaalsContact OH-CG 3.3Å; Y274-P286 WeakPolarHBondContact OH-CG 3.38Å; T283-P286 WeakPolarHBondContact O-CD 3.37Å; P286-I289 PolarHBondContact O-N 3.4Å; P286-V290 WeakPolarHBondContact O-CG2 3.3Å; P286-V290 PolarHBondContact O-N 2.81Å
287L97.8Very high87.1Confident0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-64.7-46.3179.5-70.6166.4000111.1F154 F240 P242 L261 T283 T284 P285 I289 V290 F291F154-L287 HydrophobicContact CD1-CD1 4.46Å; F154-L287 HydrophobicContact CD1-CD2 4.22Å; F154-L287 HydrophobicContact CD1-CG 4.33Å; F154-L287 HydrophobicContact CE1-CD1 3.68Å; F154-L287 HydrophobicContact CE1-CD2 3.99Å; F154-L287 HydrophobicContact CE1-CG 3.61Å; F154-L287 HydrophobicContact CZ-CG 4.27Å; F240-L287 HydrophobicContact CE2-CB 4.04Å; F240-L287 HydrophobicContact CZ-CB 4.12Å; P242-L287 HydrophobicContact CB-CD1 3.41Å; P242-L287 VanDerWaalsContact CB-CD1 3.41Å; P242-L287 HydrophobicContact CG-CD1 4.03Å; L261-L287 HydrophobicContact CD1-CD2 4.02Å; L261-L287 HydrophobicContact CD2-CD2 3.79Å; L261-L287 HydrophobicContact CD2-CG 4.11Å; T283-L287 WeakPolarHBondContact O-CD1 3.37Å; T284-L287 WeakPolarHBondContact O-CB 3.45Å; T284-L287 PolarHBondContact O-N 2.96Å; T284-L287 VanDerWaalsContact O-N 3.08Å; P285-L287 VanDerWaalsContact C-N 3.27Å; P285-L287 PolarHBondContact O-N 3.09Å; L287-I289 VanDerWaalsContact C-N 3.26Å; L287-I289 PolarHBondContact O-N 3.44Å; L287-V290 PolarHBondContact O-N 3.15Å; L287-F291 HydrophobicContact CD2-CD2 4.08Å; L287-F291 HydrophobicContact CD2-CE2 3.84Å; L287-F291 WeakPolarHBondContact O-CB 3.35Å; L287-F291 WeakPolarHBondContact O-CD2 3.49Å; L287-F291 PolarHBondContact O-N 3.04Å
288L97.3Very high88.7Confident0 Ų038.3 Ų38.30%019%0.188CC..Hα-helixtrans-57.8-41.4176.8-66.8-179000111.6Y217 F220 F240 T284 P285 Y292Y217-L288 HydrophobicContact CD1-CB 4.46Å; Y217-L288 HydrophobicContact CD2-CD1 4.39Å; Y217-L288 HydrophobicContact CE1-CB 3.83Å; Y217-L288 HydrophobicContact CE2-CB 4.3Å; Y217-L288 HydrophobicContact CE2-CD1 4.37Å; Y217-L288 HydrophobicContact CE2-CD2 3.85Å; Y217-L288 HydrophobicContact CE2-CG 4.4Å; Y217-L288 PolarHBondContact OH-O 2.75Å; F220-L288 HydrophobicContact CB-CD1 3.68Å; F220-L288 HydrophobicContact CD1-CD1 4.39Å; F220-L288 HydrophobicContact CD2-CD1 3.64Å; F220-L288 HydrophobicContact CE2-CD1 4.39Å; F220-L288 HydrophobicContact CG-CD1 3.64Å; F240-L288 HydrophobicContact CD1-CD2 3.8Å; F240-L288 HydrophobicContact CD2-CD2 4.16Å; F240-L288 HydrophobicContact CE1-CD2 3.69Å; F240-L288 HydrophobicContact CE2-CD2 4.04Å; F240-L288 HydrophobicContact CG-CD2 4.04Å; F240-L288 HydrophobicContact CZ-CD2 3.81Å; T284-L288 HydrophobicContact CG2-CD1 3.84Å; T284-L288 HydrophobicContact CG2-CD2 4.31Å; T284-L288 HydrophobicContact CG2-CG 3.82Å; T284-L288 WeakPolarHBondContact O-CG 3.28Å; T284-L288 PolarHBondContact O-N 2.84Å; P285-L288 PolarHBondContact O-N 2.98Å; L288-Y292 WeakPolarHBondContact O-CA 3.31Å; L288-Y292 PolarHBondContact O-N 3.23Å; L288-Y292 VanDerWaalsContact O-N 3.1Å
289I98.1Very high90.4Very high16 Ų1640.8 Ų40.88%0.08220%0.202CC..Hα-helixtrans-66.4-52178.6-65.1161.3000111L221 I228 L231 M233 W264 Y274 P285 P286 L287 F291 Y292L221-I289 HydrophobicContact CD1-CG1 4.13Å; L221-I289 HydrophobicContact CD2-CD1 3.75Å; L221-I289 HydrophobicContact CD2-CG1 3.95Å; I228-I289 HydrophobicContact CD1-CD1 4.28Å; L231-I289 HydrophobicContact CD1-CG1 4.32Å; L231-I289 HydrophobicContact CD1-CG2 3.8Å; M233-I289 HydrophobicContact CE-CG1 4.1Å; W264-I289 HydrophobicContact CD2-CD1 3.83Å; W264-I289 HydrophobicContact CD2-CG2 3.95Å; W264-I289 HydrophobicContact CE3-CD1 3.77Å; W264-I289 HydrophobicContact CG-CD1 4.21Å; W264-I289 HydrophobicContact CG-CG2 4.3Å; W264-I289 HydrophobicContact CH2-CG2 4.37Å; W264-I289 HydrophobicContact CZ2-CG2 3.6Å; W264-I289 HydrophobicContact CZ3-CD1 4.22Å; W264-I289 VanDerWaalsContact NE1-CG2 3.32Å; Y274-I289 HydrophobicContact CE1-CD1 4.17Å; P285-I289 WeakPolarHBondContact O-CG1 3.42Å; P285-I289 PolarHBondContact O-N 3.04Å; P286-I289 PolarHBondContact O-N 3.4Å; L287-I289 VanDerWaalsContact C-N 3.26Å; L287-I289 PolarHBondContact O-N 3.44Å; I289-F291 VanDerWaalsContact C-N 3.34Å; I289-F291 PolarHBondContact O-N 2.84Å; I289-Y292 PolarHBondContact O-N 3.47Å
290V98.6Very high92.5Very high13 Ų1343.1 Ų43.18%0.07922%0.215CC..Hα-helixtrans-67.4-35.9-174.9173.10000111.9V257 Q260 L261 P286 L287V257-V290 HydrophobicContact CG1-CG1 3.94Å; Q260-V290 HydrophobicContact CB-CG1 4.27Å; Q260-V290 HydrophobicContact CB-CG2 3.78Å; L261-V290 HydrophobicContact CD2-CB 3.94Å; L261-V290 HydrophobicContact CD2-CG1 4.47Å; L261-V290 HydrophobicContact CD2-CG2 3.72Å; L261-V290 HydrophobicContact CG-CG2 4.22Å; P286-V290 WeakPolarHBondContact O-CG2 3.3Å; P286-V290 PolarHBondContact O-N 2.81Å; L287-V290 PolarHBondContact O-N 3.15Å
291F98.4Very high94.5Very high4 Ų436.3 Ų36.32%0.01818%0.184CC..THydrogen-bonded Turntrans-98.413.7-178.3-69.6-77000114.1A192 A193 F195 F240 W252 V257 L287 I289 K293 R294 H295A192-F291 HydrophobicContact CB-CE1 4.1Å; A193-F291 HydrophobicContact CB-CD1 4.23Å; A193-F291 HydrophobicContact CB-CE1 3.57Å; A193-F291 HydrophobicContact CB-CZ 3.83Å; F195-F291 HydrophobicContact CE2-CB 4.04Å; F195-F291 AromaticContact CE2-CD1 3.91Å; F195-F291 HydrophobicContact CE2-CD1 3.91Å; F195-F291 AromaticContact CE2-CD2 3.78Å; F195-F291 HydrophobicContact CE2-CD2 3.78Å; F195-F291 HydrophobicContact CE2-CE1 4.29Å; F195-F291 HydrophobicContact CE2-CE2 4.18Å; F195-F291 AromaticContact CE2-CG 3.63Å; F195-F291 HydrophobicContact CE2-CG 3.63Å; F195-F291 HydrophobicContact CE2-CZ 4.41Å; F195-F291 AromaticContact CZ-CD2 3.83Å; F195-F291 HydrophobicContact CZ-CD2 3.83Å; F195-F291 AromaticContact CZ-CE2 3.92Å; F195-F291 HydrophobicContact CZ-CE2 3.92Å; F195-F291 HydrophobicContact CZ-CG 4.17Å; F195-F291 HydrophobicContact CZ-CZ 4.34Å; F240-F291 HydrophobicContact CE1-CB 3.94Å; F240-F291 HydrophobicContact CZ-CB 3.87Å; W252-F291 AromaticContact CE3-CZ 3.88Å; W252-F291 HydrophobicContact CE3-CZ 3.88Å; W252-F291 AromaticContact CH2-CE2 3.88Å; W252-F291 HydrophobicContact CH2-CE2 3.88Å; W252-F291 AromaticContact CH2-CZ 3.78Å; W252-F291 HydrophobicContact CH2-CZ 3.78Å; W252-F291 HydrophobicContact CZ3-CE1 4.44Å; W252-F291 AromaticContact CZ3-CE2 3.97Å; W252-F291 HydrophobicContact CZ3-CE2 3.97Å; W252-F291 AromaticContact CZ3-CZ 3.42Å; W252-F291 HydrophobicContact CZ3-CZ 3.42Å; W252-F291 VanDerWaalsContact CZ3-CZ 3.42Å; V257-F291 HydrophobicContact CG1-CE2 3.89Å; V257-F291 HydrophobicContact CG1-CZ 3.62Å; L287-F291 HydrophobicContact CD2-CD2 4.08Å; L287-F291 HydrophobicContact CD2-CE2 3.84Å; L287-F291 WeakPolarHBondContact O-CB 3.35Å; L287-F291 WeakPolarHBondContact O-CD2 3.49Å; L287-F291 PolarHBondContact O-N 3.04Å; I289-F291 VanDerWaalsContact C-N 3.34Å; I289-F291 PolarHBondContact O-N 2.84Å; F291-K293 PolarHBondContact O-N 3.19Å; F291-R294 PolarHBondContact O-N 3.21Å; F291-H295 HydrophobicContact CB-CB 4.28Å; F291-H295 HydrophobicContact CD1-CB 4.29Å; F291-H295 PolarHBondContact O-ND1 3.23Å
292Y97.6Very high95.7Very high33 Ų3335.1 Ų35.113%0.12917%0.174CC..THydrogen-bonded Turntrans-55.9109.5178.3-175-113000111.2Y217 M233 K234 T237 L288 I289 R294Y217-Y292 HydrophobicContact CD1-CD2 4.21Å; Y217-Y292 HydrophobicContact CD1-CE2 4.37Å; Y217-Y292 AromaticContact CE1-CD2 3.37Å; Y217-Y292 HydrophobicContact CE1-CD2 3.37Å; Y217-Y292 AromaticContact CE1-CE2 3.92Å; Y217-Y292 HydrophobicContact CE1-CE2 3.92Å; Y217-Y292 HydrophobicContact CE1-CG 4.31Å; Y217-Y292 AromaticContact CZ-CD2 3.61Å; M233-Y292 HydrophobicContact CB-CD1 4.49Å; M233-Y292 HydrophobicContact CB-CD2 4.37Å; M233-Y292 HydrophobicContact CB-CE1 4.16Å; M233-Y292 HydrophobicContact CB-CE2 4.02Å; M233-Y292 HydrophobicContact CG-CD1 3.68Å; M233-Y292 HydrophobicContact CG-CD2 3.97Å; M233-Y292 HydrophobicContact CG-CE1 3.81Å; M233-Y292 HydrophobicContact CG-CE2 4.06Å; M233-Y292 HydrophobicContact CG-CG 3.76Å; M233-Y292 HydrophobicContact SD-CD1 4.32Å; M233-Y292 HydrophobicContact SD-CD2 3.94Å; M233-Y292 HydrophobicContact SD-CE2 4.5Å; M233-Y292 HydrophobicContact SD-CG 3.82Å; K234-Y292 PolarHBondContact N-OH 3.48Å; T237-Y292 HydrophobicContact CG2-CE2 3.78Å; T237-Y292 WeakPolarHBondContact OG1-CE2 3.37Å; T237-Y292 PolarHBondContact OG1-OH 2.9Å; L288-Y292 WeakPolarHBondContact O-CA 3.31Å; L288-Y292 PolarHBondContact O-N 3.23Å; L288-Y292 VanDerWaalsContact O-N 3.1Å; I289-Y292 PolarHBondContact O-N 3.47Å; Y292-R294 PolarHBondContact O-N 3.05Å; Y292-R294 VanDerWaalsContact O-N 3.14Å
293K95.3Very high96.4Very high143 Ų14333.8 Ų33.862%0.62217%0.167SC*.THydrogen-bonded Turntrans56.119.6-174-56179177.1175.40115.2F291F291-K293 PolarHBondContact O-N 3.19Å
294R96.4Very high96.7Very high144 Ų14433.7 Ų33.754%0.54317%0.166SC..  trans-122.230.2-178.3-67.2-176.1175.9-161.3-0.8112.6F291 Y292F291-R294 PolarHBondContact O-N 3.21Å; Y292-R294 PolarHBondContact O-N 3.05Å; Y292-R294 VanDerWaalsContact O-N 3.14Å
295H98Very high96.7Very high32 Ų3233.7 Ų33.715%0.14817%0.166CC..SBendtrans-133.6154.1176.864.7-83.7000111.3H191 A193 F195 F240 F291H191-H295 VanDerWaalsContact CE1-C 3.46Å; H191-H295 PolarHBondContact CE1-O 3.4Å; H191-H295 WeakPolarHBondContact ND1-CA 3.31Å; H191-H295 PolarHBondContact ND1-O 2.98Å; H191-H295 VanDerWaalsContact ND1-O 3.08Å; A193-H295 CarbonylContact O-C 3.56Å; A193-H295 VanDerWaalsContact O-CA 3.23Å; A193-H295 WeakPolarHBondContact O-CA 3.31Å; A193-H295 WeakPolarHBondContact O-CB 3.18Å; F195-H295 HydrophobicContact CD2-CB 3.64Å; F195-H295 AromaticContact CD2-CG 3.89Å; F195-H295 HydrophobicContact CE2-CB 3.99Å; F240-H295 AromaticContact CD1-CE1 3.61Å; F240-H295 AromaticContact CD1-NE2 3.8Å; F240-H295 AromaticContact CE1-CE1 3.89Å; F240-H295 AromaticContact CE1-ND1 3.88Å; F291-H295 HydrophobicContact CB-CB 4.28Å; F291-H295 HydrophobicContact CD1-CB 4.29Å; F291-H295 PolarHBondContact O-ND1 3.23Å
296S98.4Very high96.5Very high2 Ų234.2 Ų34.21%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-87.7152.4171-81.90000111.3L187 K188 H191 A193 A194 F195L187-S296 WeakPolarHBondContact CA-OG 3.45Å; K188-S296 PolarHBondContact N-OG 2.81Å; H191-S296 PolarHBondContact ND1-N 3.4Å; A193-S296 PolarHBondContact O-N 2.62Å; A194-S296 CarbonylContact C-O 3.51Å; A194-S296 WeakPolarHBondContact CA-O 3.42Å; A194-S296 WeakPolarHBondContact CB-O 3.29Å; F195-S296 PolarHBondContact N-O 3.38Å
297P97Very high96.4Very high82 Ų8234.2 Ų34.253%0.53217%0.168SC..EExtended strand (participates in β ladder)trans-79143.4175.532.1-34000111.5F195F195-P297 CarbonylContact O-C 3.47Å; F195-P297 WeakPolarHBondContact O-CA 3.4Å
298I97.6Very high96.1Very high5 Ų534.2 Ų34.23%0.02617%0.168CC..PPolyproline II helixtrans-96135.1164.8-63.1177000108.6L182 I185 A194 F195 S196 V244 V246 W302L182-I298 HydrophobicContact CD1-CD1 4.4Å; L182-I298 HydrophobicContact CD1-CG2 3.92Å; I185-I298 HydrophobicContact CD1-CG1 3.84Å; A194-I298 HydrophobicContact CB-CD1 4.28Å; A194-I298 HydrophobicContact CB-CG1 3.73Å; F195-I298 PolarHBondContact O-N 3.28Å; S196-I298 PolarHBondContact OG-O 3.35Å; V244-I298 HydrophobicContact CG1-CD1 4.08Å; V246-I298 HydrophobicContact CG2-CD1 4.17Å; I298-W302 HydrophobicContact CG2-CB 3.67Å
299N95.3Very high95.7Very high94 Ų9436.6 Ų36.650%0.50318%0.18SC..PPolyproline II helixtrans-53.6130.3175.1-177-41.7000110.4M301 W302N299-M301 PolarHBondContact O-N 3.02Å; N299-M301 WeakPolarHBondContact OD1-CB 3.44Å; N299-M301 PolarHBondContact OD1-N 2.99Å; N299-W302 WeakPolarHBondContact O-CA 3.14Å; N299-W302 WeakPolarHBondContact O-CB 3.44Å; N299-W302 PolarHBondContact O-N 2.86Å
300P92.9Very high95Very high72 Ų7241 Ų4147%0.46821%0.208SC..G310 helixtrans-54.7-26.6-178.9-28.635.8000115.4W302 H303 V304P300-W302 PolarHBondContact O-N 3.21Å; P300-H303 CarbonylContact O-C 3.2Å; P300-H303 PolarHBondContact O-N 2.97Å; P300-V304 PolarHBondContact O-N 3.41Å
301M96.2Very high94.3Very high46 Ų4642.1 Ų42.123%0.22722%0.222CC..G310 helixtrans-66-25.3175-65.9-58.4-73.500112.9N299 H303 Y320 T323 K325 L326N299-M301 PolarHBondContact O-N 3.02Å; N299-M301 WeakPolarHBondContact OD1-CB 3.44Å; N299-M301 PolarHBondContact OD1-N 2.99Å; M301-H303 VanDerWaalsContact C-N 3.27Å; M301-Y320 HydrophobicContact SD-CE2 4.01Å; M301-T323 VanDerWaalsContact CE-C 3.49Å; M301-T323 WeakPolarHBondContact CE-O 3.37Å; M301-K325 WeakPolarHBondContact O-CA 3.48Å; M301-K325 WeakPolarHBondContact O-CB 3.33Å; M301-K325 PolarHBondContact O-N 2.88Å; M301-L326 PolarHBondContact O-N 3.29Å
302W98Very high93.7Very high10 Ų1042 Ų424%0.03822%0.222CC..G310 helixtrans-86.45.9173.9-83.9111.8000113V175 D178 E181 L182 I298 N299 P300 K325 L326V175-W302 HydrophobicContact CG1-CZ3 4.02Å; D178-W302 VanDerWaalsContact C-CH2 3.48Å; D178-W302 WeakPolarHBondContact O-CH2 3.06Å; D178-W302 VanDerWaalsContact O-CZ2 3.25Å; D178-W302 WeakPolarHBondContact O-CZ2 3.25Å; E181-W302 HydrophobicContact CB-CZ2 3.78Å; E181-W302 HydrophobicContact CG-CZ2 4.35Å; L182-W302 HydrophobicContact CB-CD2 3.84Å; L182-W302 HydrophobicContact CB-CE3 3.76Å; L182-W302 HydrophobicContact CB-CG 4.48Å; L182-W302 HydrophobicContact CB-CH2 4.18Å; L182-W302 HydrophobicContact CB-CZ2 4.24Å; L182-W302 HydrophobicContact CB-CZ3 3.92Å; L182-W302 HydrophobicContact CD1-CB 4.06Å; L182-W302 HydrophobicContact CD1-CD2 4.24Å; L182-W302 HydrophobicContact CD1-CE3 4.4Å; L182-W302 HydrophobicContact CD1-CG 4.1Å; L182-W302 HydrophobicContact CD2-CE3 3.88Å; L182-W302 HydrophobicContact CD2-CZ3 4.27Å; L182-W302 HydrophobicContact CG-CD2 4.41Å; L182-W302 HydrophobicContact CG-CE3 4.22Å; I298-W302 HydrophobicContact CG2-CB 3.67Å; N299-W302 WeakPolarHBondContact O-CA 3.14Å; N299-W302 WeakPolarHBondContact O-CB 3.44Å; N299-W302 PolarHBondContact O-N 2.86Å; P300-W302 PolarHBondContact O-N 3.21Å; W302-K325 HydrophobicContact CD2-CB 3.67Å; W302-K325 HydrophobicContact CD2-CD 4.18Å; W302-K325 VanDerWaalsContact CE2-CD 3.45Å; W302-K325 HydrophobicContact CE3-CB 3.82Å; W302-K325 HydrophobicContact CG-CB 4.2Å; W302-K325 HydrophobicContact CG-CD 4.48Å; W302-K325 HydrophobicContact CH2-CB 4.05Å; W302-K325 HydrophobicContact CZ2-CB 3.92Å; W302-K325 HydrophobicContact CZ2-CD 3.63Å; W302-K325 HydrophobicContact CZ2-CG 4.33Å; W302-K325 HydrophobicContact CZ3-CB 4.03Å; W302-L326 HydrophobicContact CE3-CB 4.08Å; W302-L326 WeakPolarHBondContact O-CB 3.47Å
303H96.6Very high93.2Very high1 Ų142.1 Ų42.11%0.00523%0.234CC..  trans-158.868.6173.9-157.1-173.5000111.4S196 N241 V244 P300 M301 R305 H328S196-H303 WeakPolarHBondContact CB-ND1 3.29Å; N241-H303 PolarHBondContact OD1-CE1 3.34Å; V244-H303 WeakPolarHBondContact CG2-NE2 3.3Å; P300-H303 CarbonylContact O-C 3.2Å; P300-H303 PolarHBondContact O-N 2.97Å; M301-H303 VanDerWaalsContact C-N 3.27Å; H303-R305 HydrophobicContact CB-CG 4.48Å; H303-R305 VanDerWaalsContact CD2-CG 3.44Å; H303-R305 WeakPolarHBondContact CD2-CG 3.48Å; H303-R305 PolarHBondContact ND1-NH1 3.44Å; H303-R305 WeakPolarHBondContact O-CG 3.37Å; H303-R305 PolarHBondContact O-N 3.33Å; H303-R305 VanDerWaalsContact O-N 3.11Å; H303-R305 PolarHBondContact O-NH1 3Å; H303-R305 VanDerWaalsContact O-NH1 3.08Å; H303-H328 AromaticContact CD2-ND1 3.7Å; H303-H328 AromaticContact NE2-CE1 3.78Å; H303-H328 AromaticContact NE2-CG 3.88Å; H303-H328 AromaticContact NE2-ND1 3Å; H303-H328 PolarHBondContact NE2-ND1 3.5Å
304V96.1Very high92.8Very high2 Ų242.5 Ų42.51%0.01224%0.242CC..BIsolated β-bridgetrans-76.798.7170.8176.90000108.4P300 L307 Y316 Y320 A324 L326 L327 H328P300-V304 PolarHBondContact O-N 3.41Å; V304-L307 HydrophobicContact CG1-CD2 4.3Å; V304-Y316 HydrophobicContact CG1-CD1 4.31Å; V304-Y316 HydrophobicContact CG1-CD2 3.96Å; V304-Y316 HydrophobicContact CG1-CE1 4.05Å; V304-Y316 HydrophobicContact CG1-CE2 3.71Å; V304-Y316 HydrophobicContact CG1-CG 4.25Å; V304-Y320 HydrophobicContact CG1-CE1 4.17Å; V304-Y320 HydrophobicContact CG2-CE1 3.78Å; V304-A324 HydrophobicContact CB-CB 4.17Å; V304-A324 HydrophobicContact CG2-CB 3.55Å; V304-L326 PolarHBondContact N-O 3.1Å; V304-L327 HydrophobicContact CB-CD2 4.06Å; V304-L327 HydrophobicContact CG1-CD2 4.16Å; V304-H328 PolarHBondContact O-N 3.09Å
305R92.7Very high92.3Very high5 Ų538.7 Ų38.72%0.01923%0.228CC..  trans-93.1178.2-172-67.5173.4-57.1-85-8.2112.9S196 D197 D198 H303 L307 Y316 H328 N330S196-R305 PolarHBondContact OG-NH1 2.91Å; D197-R305 PolarHBondContact O-NH1 3.47Å; D197-R305 PolarHBondContact O-NH2 3.11Å; D198-R305 IonicContact OD1-CZ 2.76Å; D198-R305 IonicContact OD1-NE 3.3Å; D198-R305 PolarHBondContact OD1-NE 2.91Å; D198-R305 IonicContact OD1-NH2 2.99Å; H303-R305 HydrophobicContact CB-CG 4.48Å; H303-R305 VanDerWaalsContact CD2-CG 3.44Å; H303-R305 WeakPolarHBondContact CD2-CG 3.48Å; H303-R305 PolarHBondContact ND1-NH1 3.44Å; H303-R305 WeakPolarHBondContact O-CG 3.37Å; H303-R305 PolarHBondContact O-N 3.33Å; H303-R305 VanDerWaalsContact O-N 3.11Å; H303-R305 PolarHBondContact O-NH1 3Å; H303-R305 VanDerWaalsContact O-NH1 3.08Å; R305-L307 PolarHBondContact O-N 2.93Å; R305-Y316 VanDerWaalsContact O-CE2 3.31Å; R305-Y316 WeakPolarHBondContact O-CE2 3.48Å; R305-H328 HydrophobicContact CG-CB 4.48Å; R305-N330 WeakPolarHBondContact CA-OD1 3.29Å; R305-N330 VanDerWaalsContact CB-OD1 3.3Å; R305-N330 WeakPolarHBondContact CB-OD1 3.46Å
306H91.8Very high92Very high14 Ų1438.6 Ų38.67%0.06523%0.227CC..  trans62.431.3171.9-56.4-58.1000112.4D198 I309 A312 H328 N330D198-H306 IonicContact OD1-CD2 2.53Å; D198-H306 IonicContact OD1-CE1 3.39Å; D198-H306 PolarHBondContact OD1-CE1 3.3Å; D198-H306 IonicContact OD1-NE2 3.76Å; D198-H306 PolarHBondContact OD1-NE2 2.98Å; D198-H306 IonicContact OD2-CE1 3.4Å; D198-H306 PolarHBondContact OD2-CE1 3.3Å; D198-H306 IonicContact OD2-NE2 2.66Å; D198-H306 PolarHBondContact OD2-NE2 2.91Å; H306-I309 HydrophobicContact CB-CD1 3.75Å; H306-I309 HydrophobicContact CB-CG1 3.93Å; H306-I309 VanDerWaalsContact O-CG1 3.29Å; H306-I309 WeakPolarHBondContact O-CG1 3.29Å; H306-A312 VanDerWaalsContact O-CB 3.29Å; H306-A312 WeakPolarHBondContact O-CB 3.24Å; H306-H328 PolarHBondContact N-O 3.15Å; H306-N330 PolarHBondContact CE1-ND2 2.97Å; H306-N330 PolarHBondContact N-OD1 3.39Å; H306-N330 PolarHBondContact ND1-ND2 2.91Å
307L94.1Very high91.7Very high0 Ų041.6 Ų41.60%025%0.247CC..THydrogen-bonded Turntrans-76.5-18.4170.8-55-176.6000111.6V304 R305 A312 Y316 L327 H328 W329 F342V304-L307 HydrophobicContact CG1-CD2 4.3Å; R305-L307 PolarHBondContact O-N 2.93Å; L307-A312 WeakPolarHBondContact O-CB 3.41Å; L307-Y316 HydrophobicContact CD2-CD2 3.68Å; L307-Y316 HydrophobicContact CD2-CE2 4.11Å; L307-L327 HydrophobicContact CD1-CB 3.65Å; L307-L327 HydrophobicContact CD1-CD2 3.97Å; L307-L327 HydrophobicContact CD1-CG 4.26Å; L307-H328 WeakPolarHBondContact CB-O 3.48Å; L307-H328 PolarHBondContact N-O 2.85Å; L307-W329 VanDerWaalsContact C-CD1 3.5Å; L307-W329 HydrophobicContact CB-CB 4.42Å; L307-W329 HydrophobicContact CB-CD2 3.86Å; L307-W329 HydrophobicContact CB-CG 3.7Å; L307-W329 HydrophobicContact CD1-CD2 4.08Å; L307-W329 HydrophobicContact CD1-CE3 4.2Å; L307-W329 HydrophobicContact CD1-CH2 4.13Å; L307-W329 HydrophobicContact CD1-CZ2 4.01Å; L307-W329 HydrophobicContact CD1-CZ3 4.21Å; L307-F342 HydrophobicContact CD2-CD2 3.99Å; L307-F342 HydrophobicContact CD2-CE2 4.03Å
308G91.8Very high91.6Very high0 Ų041.8 Ų41.80%025%0.248CC..THydrogen-bonded Turntrans-94.41717900000115.2N330 G331 H332 Y333G308-N330 WeakPolarHBondContact CA-O 3.42Å; G308-N330 PolarHBondContact N-O 3.28Å; G308-G331 CarbonylContact O-C 3.3Å; G308-G331 VanDerWaalsContact O-C 3.3Å; G308-G331 WeakPolarHBondContact O-CA 3.43Å; G308-H332 PolarHBondContact O-N 2.84Å; G308-Y333 WeakPolarHBondContact CA-O 3.3Å; G308-Y333 WeakPolarHBondContact O-CD2 3.49Å; G308-Y333 PolarHBondContact O-N 2.95Å
309I88.1Confident91.4Very high50 Ų5046.4 Ų46.426%0.25627%0.27SS..SBendtrans-112.8163.2175.567.4166.1000111.5A202 H306 G311 A312A202-I309 HydrophobicContact CB-CD1 3.24Å; H306-I309 HydrophobicContact CB-CD1 3.75Å; H306-I309 HydrophobicContact CB-CG1 3.93Å; H306-I309 VanDerWaalsContact O-CG1 3.29Å; H306-I309 WeakPolarHBondContact O-CG1 3.29Å; I309-G311 PolarHBondContact O-N 3.44Å; I309-A312 WeakPolarHBondContact O-CB 3.49Å; I309-A312 PolarHBondContact O-N 3.25Å
310T85.3Confident91.4Very high110 Ų11045.7 Ų45.768%0.67526%0.261SS*.THydrogen-bonded Turntrans-58.2133.4173.1-53.40000110.9A312 Y333T310-A312 VanDerWaalsContact C-N 3.35Å; T310-Y333 VanDerWaalsContact OG1-CE2 3.24Å; T310-Y333 WeakPolarHBondContact OG1-CE2 3.46Å
311G83.6Confident91.6Very high36 Ų3642.3 Ų42.337%0.37124%0.239SC..THydrogen-bonded Turntrans80.39.717700000115I309 G313 N314 R315I309-G311 PolarHBondContact O-N 3.44Å; G311-G313 PolarHBondContact O-N 3.36Å; G311-N314 WeakPolarHBondContact O-CA 3.46Å; G311-N314 WeakPolarHBondContact O-CB 3.36Å; G311-N314 PolarHBondContact O-N 2.95Å; G311-R315 PolarHBondContact O-N 3.44Å
312A85.4Confident91.5Very high0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-52.2-41.2174.700000113.1H306 L307 I309 T310 N314 R315 Y316H306-A312 VanDerWaalsContact O-CB 3.29Å; H306-A312 WeakPolarHBondContact O-CB 3.24Å; L307-A312 WeakPolarHBondContact O-CB 3.41Å; I309-A312 WeakPolarHBondContact O-CB 3.49Å; I309-A312 PolarHBondContact O-N 3.25Å; T310-A312 VanDerWaalsContact C-N 3.35Å; A312-N314 PolarHBondContact O-N 3.16Å; A312-N314 VanDerWaalsContact O-N 3.17Å; A312-R315 WeakPolarHBondContact O-CB 3.49Å; A312-R315 PolarHBondContact O-N 3.19Å; A312-Y316 PolarHBondContact O-N 3.5Å
313G85.9Confident91.4Very high37 Ų3751 Ų5138%0.38128%0.277SS..Hα-helixtrans-60.6-20173.900000115.3G311 S341G311-G313 PolarHBondContact O-N 3.36Å; G313-S341 PolarHBondContact N-OG 3.22Å
314N87.7Confident91.5Very high151 Ų15151.1 Ų51.181%0.80728%0.278SS*.Hα-helixtrans-91.2-17.4173.8-61.4-32.2000112.5G311 A312G311-N314 WeakPolarHBondContact O-CA 3.46Å; G311-N314 WeakPolarHBondContact O-CB 3.36Å; G311-N314 PolarHBondContact O-N 2.95Å; A312-N314 PolarHBondContact O-N 3.16Å; A312-N314 VanDerWaalsContact O-N 3.17Å
315R86Confident91.6Very high63 Ų6354.2 Ų54.224%0.23829%0.292CS..Hα-helixtrans-82-41.7-178.8-178.4178171.6121.34.9111.5D200 G311 A312D200-R315 PolarHBondContact O-NH1 3.34Å; D200-R315 PolarHBondContact O-NH2 3.37Å; G311-R315 PolarHBondContact O-N 3.44Å; A312-R315 WeakPolarHBondContact O-CB 3.49Å; A312-R315 PolarHBondContact O-N 3.19Å
316Y90.9Very high91.9Very high31 Ų3154 Ų5412%0.12229%0.291CS..SBendtrans-121.5136.6-177.8-62.1-66000110.9V304 R305 L307 A312 Y320 F342V304-Y316 HydrophobicContact CG1-CD1 4.31Å; V304-Y316 HydrophobicContact CG1-CD2 3.96Å; V304-Y316 HydrophobicContact CG1-CE1 4.05Å; V304-Y316 HydrophobicContact CG1-CE2 3.71Å; V304-Y316 HydrophobicContact CG1-CG 4.25Å; R305-Y316 VanDerWaalsContact O-CE2 3.31Å; R305-Y316 WeakPolarHBondContact O-CE2 3.48Å; L307-Y316 HydrophobicContact CD2-CD2 3.68Å; L307-Y316 HydrophobicContact CD2-CE2 4.11Å; A312-Y316 PolarHBondContact O-N 3.5Å; Y316-Y320 AromaticContact CD1-CD1 3.29Å; Y316-Y320 HydrophobicContact CD1-CD1 3.29Å; Y316-Y320 AromaticContact CD1-CE1 3.39Å; Y316-Y320 HydrophobicContact CD1-CE1 3.39Å; Y316-Y320 HydrophobicContact CD1-CG 4.23Å; Y316-Y320 AromaticContact CE1-CD1 3.9Å; Y316-Y320 HydrophobicContact CE1-CD1 3.9Å; Y316-Y320 AromaticContact CE1-CE1 3.46Å; Y316-Y320 HydrophobicContact CE1-CE1 3.46Å; Y316-Y320 VanDerWaalsContact CE1-CE1 3.46Å; Y316-Y320 HydrophobicContact CG-CD1 4.03Å; Y316-Y320 HydrophobicContact CG-CE1 4.39Å; Y316-F342 WeakPolarHBondContact O-CZ 3.34Å
317S93.1Very high92.2Very high64 Ų6453.3 Ų53.345%0.44829%0.288SS..  trans-73.1152.4169.770.30000109.9Q319 Y320 V321S317-Q319 PolarHBondContact O-N 3.04Å; S317-Y320 WeakPolarHBondContact O-CB 3.45Å; S317-Y320 PolarHBondContact O-N 3.19Å; S317-Y320 WeakPolarHBondContact OG-CB 3.5Å; S317-Y320 PolarHBondContact OG-N 3.42Å; S317-Y320 VanDerWaalsContact OG-N 3.14Å; S317-V321 PolarHBondContact O-N 3.26Å
318P93.8Very high92.4Very high86 Ų8653.3 Ų53.356%0.55829%0.288SS*.Hα-helixtrans-54.1-36.3172.9-27.735.3000112.8Y320 V321 R322P318-Y320 PolarHBondContact O-N 3.02Å; P318-V321 PolarHBondContact O-N 3.14Å; P318-R322 WeakPolarHBondContact O-CG 3.4Å; P318-R322 PolarHBondContact O-N 3.26Å
319Q94.7Very high92.6Very high102 Ų10253.3 Ų53.348%0.47729%0.288SS..Hα-helixtrans-64.1-40.7176.4-175.360.615.300112.5S317 R322 T323S317-Q319 PolarHBondContact O-N 3.04Å; Q319-R322 PolarHBondContact O-N 2.96Å; Q319-R322 VanDerWaalsContact OE1-NE 3.17Å; Q319-T323 WeakPolarHBondContact O-CG2 3.47Å; Q319-T323 PolarHBondContact O-N 3.29Å; Q319-T323 VanDerWaalsContact O-N 3.16Å; Q319-T323 PolarHBondContact O-OG1 3.5Å
320Y95.3Very high92.8Very high79 Ų7951.9 Ų51.931%0.3128%0.281SS..Hα-helixtrans-66.6-40.9176.9-173.5-90.4000111.7M301 V304 Y316 S317 P318 R322 T323 A324M301-Y320 HydrophobicContact SD-CE2 4.01Å; V304-Y320 HydrophobicContact CG1-CE1 4.17Å; V304-Y320 HydrophobicContact CG2-CE1 3.78Å; Y316-Y320 AromaticContact CD1-CD1 3.29Å; Y316-Y320 HydrophobicContact CD1-CD1 3.29Å; Y316-Y320 AromaticContact CD1-CE1 3.39Å; Y316-Y320 HydrophobicContact CD1-CE1 3.39Å; Y316-Y320 HydrophobicContact CD1-CG 4.23Å; Y316-Y320 AromaticContact CE1-CD1 3.9Å; Y316-Y320 HydrophobicContact CE1-CD1 3.9Å; Y316-Y320 AromaticContact CE1-CE1 3.46Å; Y316-Y320 HydrophobicContact CE1-CE1 3.46Å; Y316-Y320 VanDerWaalsContact CE1-CE1 3.46Å; Y316-Y320 HydrophobicContact CG-CD1 4.03Å; Y316-Y320 HydrophobicContact CG-CE1 4.39Å; S317-Y320 WeakPolarHBondContact O-CB 3.45Å; S317-Y320 PolarHBondContact O-N 3.19Å; S317-Y320 WeakPolarHBondContact OG-CB 3.5Å; S317-Y320 PolarHBondContact OG-N 3.42Å; S317-Y320 VanDerWaalsContact OG-N 3.14Å; P318-Y320 PolarHBondContact O-N 3.02Å; Y320-R322 VanDerWaalsContact C-N 3.3Å; Y320-R322 PolarHBondContact O-N 3.17Å; Y320-T323 PolarHBondContact O-N 2.88Å; Y320-T323 PolarHBondContact O-OG1 3.45Å; Y320-A324 PolarHBondContact O-N 3.22Å
321V96.3Very high92.9Very high1 Ų148.5 Ų48.51%0.00627%0.267CS..Hα-helixtrans-61.1-40.5174.5173.60000110.9Q176 S317 P318 T323 A324 L327 F342 V345Q176-V321 PolarHBondContact NE2-O 3.18Å; S317-V321 PolarHBondContact O-N 3.26Å; P318-V321 PolarHBondContact O-N 3.14Å; V321-T323 VanDerWaalsContact C-N 3.35Å; V321-T323 PolarHBondContact O-N 3.42Å; V321-A324 WeakPolarHBondContact O-CB 3.25Å; V321-A324 PolarHBondContact O-N 3.38Å; V321-L327 HydrophobicContact CB-CD2 4.49Å; V321-L327 HydrophobicContact CG1-CD1 3.66Å; V321-L327 HydrophobicContact CG1-CD2 3.84Å; V321-L327 HydrophobicContact CG1-CG 4.43Å; V321-F342 HydrophobicContact CB-CD1 4.41Å; V321-F342 HydrophobicContact CB-CE1 4.46Å; V321-F342 HydrophobicContact CG1-CB 4.46Å; V321-F342 HydrophobicContact CG1-CD1 4.25Å; V321-F342 HydrophobicContact CG1-CG 4.25Å; V321-F342 HydrophobicContact CG2-CD1 4.02Å; V321-F342 HydrophobicContact CG2-CD2 4.16Å; V321-F342 HydrophobicContact CG2-CE1 3.78Å; V321-F342 HydrophobicContact CG2-CE2 3.93Å; V321-F342 HydrophobicContact CG2-CG 4.2Å; V321-F342 HydrophobicContact CG2-CZ 3.73Å; V321-V345 HydrophobicContact CG1-CG2 4.12Å
322R94.4Very high93.1Very high166 Ų16654.2 Ų54.263%0.62628%0.284SS*.Hα-helixtrans-64.4-33.7176.5-75.1-169.9-66.4-1482.5113.9P318 Q319 Y320P318-R322 WeakPolarHBondContact O-CG 3.4Å; P318-R322 PolarHBondContact O-N 3.26Å; Q319-R322 PolarHBondContact O-N 2.96Å; Q319-R322 VanDerWaalsContact OE1-NE 3.17Å; Y320-R322 VanDerWaalsContact C-N 3.3Å; Y320-R322 PolarHBondContact O-N 3.17Å
323T96.4Very high93.5Very high73 Ų7358.2 Ų58.245%0.44830%0.3SS..Hα-helixtrans-90.2-12.2-17959.30000113.8M301 Q319 Y320 V321M301-T323 VanDerWaalsContact CE-C 3.49Å; M301-T323 WeakPolarHBondContact CE-O 3.37Å; Q319-T323 WeakPolarHBondContact O-CG2 3.47Å; Q319-T323 PolarHBondContact O-N 3.29Å; Q319-T323 VanDerWaalsContact O-N 3.16Å; Q319-T323 PolarHBondContact O-OG1 3.5Å; Y320-T323 PolarHBondContact O-N 2.88Å; Y320-T323 PolarHBondContact O-OG1 3.45Å; V321-T323 VanDerWaalsContact C-N 3.35Å; V321-T323 PolarHBondContact O-N 3.42Å
324A97.9Very high93.9Very high3 Ų358.2 Ų58.23%0.02529%0.289CS..  trans-57.3148173.200000111.5Q176 V304 Y320 V321 L327Q176-A324 WeakPolarHBondContact CB-O 3.43Å; Q176-A324 PolarHBondContact NE2-O 2.96Å; V304-A324 HydrophobicContact CB-CB 4.17Å; V304-A324 HydrophobicContact CG2-CB 3.55Å; Y320-A324 PolarHBondContact O-N 3.22Å; V321-A324 WeakPolarHBondContact O-CB 3.25Å; V321-A324 PolarHBondContact O-N 3.38Å; A324-L327 HydrophobicContact CB-CD2 3.48Å; A324-L327 VanDerWaalsContact CB-CD2 3.48Å; A324-L327 HydrophobicContact CB-CG 4.4Å
325K98.4Very high94.2Very high68 Ų6851 Ų5130%0.29625%0.251SS..SBendtrans-92.2-27176.8-62.4-171.2176.7-169.90112.3Q176 G177 E181 M301 W302Q176-K325 PolarHBondContact N-O 2.94Å; G177-K325 PolarHBondContact N-O 3.45Å; E181-K325 IonicContact OE1-NZ 3.35Å; E181-K325 PolarHBondContact OE1-NZ 2.98Å; E181-K325 IonicContact OE2-NZ 3.02Å; E181-K325 PolarHBondContact OE2-NZ 3.26Å; M301-K325 WeakPolarHBondContact O-CA 3.48Å; M301-K325 WeakPolarHBondContact O-CB 3.33Å; M301-K325 PolarHBondContact O-N 2.88Å; W302-K325 HydrophobicContact CD2-CB 3.67Å; W302-K325 HydrophobicContact CD2-CD 4.18Å; W302-K325 VanDerWaalsContact CE2-CD 3.45Å; W302-K325 HydrophobicContact CE3-CB 3.82Å; W302-K325 HydrophobicContact CG-CB 4.2Å; W302-K325 HydrophobicContact CG-CD 4.48Å; W302-K325 HydrophobicContact CH2-CB 4.05Å; W302-K325 HydrophobicContact CZ2-CB 3.92Å; W302-K325 HydrophobicContact CZ2-CD 3.63Å; W302-K325 HydrophobicContact CZ2-CG 4.33Å; W302-K325 HydrophobicContact CZ3-CB 4.03Å
326L98.7Very high94.7Very high0 Ų049.3 Ų49.30%024%0.244CC..EExtended strand (participates in β ladder)trans-146.3130.1173.9-175.8160.1000110.1L169 V173 V174 V175 V244 M301 W302 V304 H328L169-L326 HydrophobicContact CD2-CD1 3.88Å; V173-L326 HydrophobicContact CB-CD2 4.22Å; V173-L326 HydrophobicContact CB-CG 4.5Å; V173-L326 HydrophobicContact CG1-CD2 4.15Å; V174-L326 WeakPolarHBondContact O-CA 3.34Å; V175-L326 HydrophobicContact CG2-CD1 3.91Å; V175-L326 HydrophobicContact CG2-CG 4.12Å; V244-L326 HydrophobicContact CG1-CD1 4.35Å; V244-L326 HydrophobicContact CG2-CD1 3.74Å; V244-L326 HydrophobicContact CG2-CD2 3.81Å; V244-L326 HydrophobicContact CG2-CG 4.49Å; M301-L326 PolarHBondContact O-N 3.29Å; W302-L326 HydrophobicContact CE3-CB 4.08Å; W302-L326 WeakPolarHBondContact O-CB 3.47Å; V304-L326 PolarHBondContact N-O 3.1Å; L326-H328 HydrophobicContact CD2-CB 4.23Å
327L98.6Very high94.7Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-107.6136.4178.3-60178.9000109.2V173 V174 Q176 V304 L307 V321 A324 W329 V345V173-L327 CarbonylContact C-O 3.53Å; V173-L327 WeakPolarHBondContact CA-O 3.39Å; V173-L327 WeakPolarHBondContact CB-O 3.29Å; V174-L327 HydrophobicContact CB-CB 4.33Å; V174-L327 PolarHBondContact N-O 2.97Å; V174-L327 PolarHBondContact O-N 3.23Å; Q176-L327 HydrophobicContact CG-CD1 4.48Å; V304-L327 HydrophobicContact CB-CD2 4.06Å; V304-L327 HydrophobicContact CG1-CD2 4.16Å; L307-L327 HydrophobicContact CD1-CB 3.65Å; L307-L327 HydrophobicContact CD1-CD2 3.97Å; L307-L327 HydrophobicContact CD1-CG 4.26Å; V321-L327 HydrophobicContact CB-CD2 4.49Å; V321-L327 HydrophobicContact CG1-CD1 3.66Å; V321-L327 HydrophobicContact CG1-CD2 3.84Å; V321-L327 HydrophobicContact CG1-CG 4.43Å; A324-L327 HydrophobicContact CB-CD2 3.48Å; A324-L327 VanDerWaalsContact CB-CD2 3.48Å; A324-L327 HydrophobicContact CB-CG 4.4Å; L327-W329 HydrophobicContact CB-CE3 4.4Å; L327-W329 HydrophobicContact CB-CH2 3.98Å; L327-W329 HydrophobicContact CB-CZ3 3.62Å; L327-W329 HydrophobicContact CD1-CH2 3.9Å; L327-W329 HydrophobicContact CD1-CZ3 4.35Å; L327-V345 HydrophobicContact CD1-CB 4.49Å; L327-V345 HydrophobicContact CD1-CG1 3.6Å
328H97.8Very high94.4Very high0 Ų055.7 Ų55.70%027%0.265CS..EExtended strand (participates in β ladder)trans-132.5116.5-177.3-174.2-165.9000110.8D170 D172 V173 N241 H303 V304 R305 H306 L307 L326 N330D170-H328 IonicContact OD2-CE1 3.48Å; D170-H328 IonicContact OD2-NE2 3.18Å; D172-H328 IonicContact OD1-CD2 3.69Å; D172-H328 PolarHBondContact OD1-CD2 3.02Å; D172-H328 IonicContact OD1-NE2 3.95Å; D172-H328 PolarHBondContact OD1-NE2 3.03Å; V173-H328 HydrophobicContact CG1-CB 4.18Å; N241-H328 PolarHBondContact OD1-CE1 3.37Å; H303-H328 AromaticContact CD2-ND1 3.7Å; H303-H328 AromaticContact NE2-CE1 3.78Å; H303-H328 AromaticContact NE2-CG 3.88Å; H303-H328 AromaticContact NE2-ND1 3Å; H303-H328 PolarHBondContact NE2-ND1 3.5Å; V304-H328 PolarHBondContact O-N 3.09Å; R305-H328 HydrophobicContact CG-CB 4.48Å; H306-H328 PolarHBondContact N-O 3.15Å; L307-H328 WeakPolarHBondContact CB-O 3.48Å; L307-H328 PolarHBondContact N-O 2.85Å; L326-H328 HydrophobicContact CD2-CB 4.23Å; H328-N330 PolarHBondContact ND1-OD1 3.3Å; H328-N330 PolarHBondContact O-N 3.13Å; H328-N330 VanDerWaalsContact O-N 3.13Å; H328-N330 PolarHBondContact O-OD1 3.24Å
329W96.5Very high94.1Very high0 Ų055.6 Ų55.60%026%0.263CS..  trans-85.142.9174.9-76.3-98.9000111.9D172 V174 L307 L327 G331 K334 P335 S341 F342 W346D172-W329 HydrophobicContact CB-CB 4.4Å; D172-W329 PolarHBondContact O-N 2.86Å; V174-W329 HydrophobicContact CB-CZ3 3.97Å; V174-W329 HydrophobicContact CG2-CH2 4.2Å; V174-W329 HydrophobicContact CG2-CZ3 3.69Å; L307-W329 VanDerWaalsContact C-CD1 3.5Å; L307-W329 HydrophobicContact CB-CB 4.42Å; L307-W329 HydrophobicContact CB-CD2 3.86Å; L307-W329 HydrophobicContact CB-CG 3.7Å; L307-W329 HydrophobicContact CD1-CD2 4.08Å; L307-W329 HydrophobicContact CD1-CE3 4.2Å; L307-W329 HydrophobicContact CD1-CH2 4.13Å; L307-W329 HydrophobicContact CD1-CZ2 4.01Å; L307-W329 HydrophobicContact CD1-CZ3 4.21Å; L327-W329 HydrophobicContact CB-CE3 4.4Å; L327-W329 HydrophobicContact CB-CH2 3.98Å; L327-W329 HydrophobicContact CB-CZ3 3.62Å; L327-W329 HydrophobicContact CD1-CH2 3.9Å; L327-W329 HydrophobicContact CD1-CZ3 4.35Å; W329-G331 PolarHBondContact O-N 3.47Å; W329-K334 PolarHBondContact O-NZ 2.92Å; W329-P335 HydrophobicContact CB-CG 4.45Å; W329-P335 HydrophobicContact CD2-CB 4.44Å; W329-P335 HydrophobicContact CD2-CG 3.85Å; W329-P335 HydrophobicContact CE3-CG 4.34Å; W329-P335 HydrophobicContact CG-CG 3.9Å; W329-S341 PolarHBondContact NE1-O 2.9Å; W329-F342 HydrophobicContact CZ2-CB 3.93Å; W329-F342 WeakPolarHBondContact CZ2-O 3.34Å; W329-W346 HydrophobicContact CH2-CB 4.19Å; W329-W346 HydrophobicContact CZ2-CB 4.36Å
330N91.3Very high93.9Very high20 Ų2051.9 Ų51.911%0.10725%0.248CC..  trans-61.8135.7170.160.9-72.6000110.1R305 H306 G308 H328R305-N330 WeakPolarHBondContact CA-OD1 3.29Å; R305-N330 VanDerWaalsContact CB-OD1 3.3Å; R305-N330 WeakPolarHBondContact CB-OD1 3.46Å; H306-N330 PolarHBondContact CE1-ND2 2.97Å; H306-N330 PolarHBondContact N-OD1 3.39Å; H306-N330 PolarHBondContact ND1-ND2 2.91Å; G308-N330 WeakPolarHBondContact CA-O 3.42Å; G308-N330 PolarHBondContact N-O 3.28Å; H328-N330 PolarHBondContact ND1-OD1 3.3Å; H328-N330 PolarHBondContact O-N 3.13Å; H328-N330 VanDerWaalsContact O-N 3.13Å; H328-N330 PolarHBondContact O-OD1 3.24Å
331G88.5Confident93.7Very high38 Ų3849.7 Ų49.739%0.39225%0.245SC..SBendtrans118.4-171.7-169.600000112.7G308 W329 K334G308-G331 CarbonylContact O-C 3.3Å; G308-G331 VanDerWaalsContact O-C 3.3Å; G308-G331 WeakPolarHBondContact O-CA 3.43Å; W329-G331 PolarHBondContact O-N 3.47Å; G331-K334 WeakPolarHBondContact O-CE 3.43Å; G331-K334 PolarHBondContact O-NZ 3.32Å
332H88Confident93.7Very high157 Ų15750.9 Ų50.973%0.72725%0.25SC*.SBendtrans-77.9-34.1-172.1-176.6-83.3000113.8G308 K334G308-H332 PolarHBondContact O-N 2.84Å; H332-K334 PolarHBondContact O-N 2.89Å
333Y92.4Very high93.7Very high83 Ų8344 Ų4433%0.32523%0.227SC..  trans-90.6101.9-170.9-62-76.4000112.4G308 T310 T339 S340G308-Y333 WeakPolarHBondContact CA-O 3.3Å; G308-Y333 WeakPolarHBondContact O-CD2 3.49Å; G308-Y333 PolarHBondContact O-N 2.95Å; T310-Y333 VanDerWaalsContact OG1-CE2 3.24Å; T310-Y333 WeakPolarHBondContact OG1-CE2 3.46Å; Y333-T339 WeakPolarHBondContact CB-O 3.36Å; Y333-T339 VanDerWaalsContact CD1-O 3.29Å; Y333-T339 WeakPolarHBondContact CD1-O 3.29Å; Y333-S340 PolarHBondContact O-OG 2.87Å
334K95.1Very high93.6Very high37 Ų3745.3 Ų45.316%0.16123%0.231CC..  trans-88.8144.5-179.8-54.7-56.3175.7-172.50112.7D172 W329 G331 H332 W336 G337 S340D172-K334 HydrophobicContact CB-CD 4.44Å; D172-K334 IonicContact OD2-NZ 3.75Å; D172-K334 PolarHBondContact OD2-NZ 3.28Å; W329-K334 PolarHBondContact O-NZ 2.92Å; G331-K334 WeakPolarHBondContact O-CE 3.43Å; G331-K334 PolarHBondContact O-NZ 3.32Å; H332-K334 PolarHBondContact O-N 2.89Å; K334-W336 HydrophobicContact CB-CD2 3.76Å; K334-W336 VanDerWaalsContact CB-CE2 3.47Å; K334-W336 HydrophobicContact CB-CE3 4.11Å; K334-W336 HydrophobicContact CB-CG 4.36Å; K334-W336 HydrophobicContact CB-CH2 3.98Å; K334-W336 HydrophobicContact CB-CZ2 3.61Å; K334-W336 HydrophobicContact CB-CZ3 4.21Å; K334-W336 HydrophobicContact CD-CH2 3.91Å; K334-W336 HydrophobicContact CD-CZ2 3.9Å; K334-W336 HydrophobicContact CG-CH2 4.07Å; K334-W336 HydrophobicContact CG-CZ2 3.59Å; K334-W336 PolarHBondContact O-N 2.9Å; K334-G337 WeakPolarHBondContact O-CA 3.4Å; K334-G337 PolarHBondContact O-N 2.88Å; K334-S340 VanDerWaalsContact O-CB 3.3Å; K334-S340 WeakPolarHBondContact O-CB 3.42Å
335P95.1Very high93.5Very high0 Ų045.7 Ų45.70%023%0.233CC..THydrogen-bonded Turntrans-67.8-20-177.825.6-32.3000113.4W329 G337 W346 R362W329-P335 HydrophobicContact CB-CG 4.45Å; W329-P335 HydrophobicContact CD2-CB 4.44Å; W329-P335 HydrophobicContact CD2-CG 3.85Å; W329-P335 HydrophobicContact CE3-CG 4.34Å; W329-P335 HydrophobicContact CG-CG 3.9Å; P335-G337 VanDerWaalsContact C-N 3.33Å; P335-W346 HydrophobicContact CB-CB 3.6Å; P335-W346 HydrophobicContact CB-CD2 4.1Å; P335-W346 HydrophobicContact CB-CG 3.62Å; P335-W346 HydrophobicContact CG-CB 3.87Å; P335-W346 HydrophobicContact CG-CD2 3.95Å; P335-W346 HydrophobicContact CG-CG 3.42Å; P335-W346 VanDerWaalsContact CG-CG 3.42Å; P335-R362 VanDerWaalsContact O-CZ 3.25Å; P335-R362 PolarHBondContact O-NH1 3.41Å; P335-R362 PolarHBondContact O-NH2 3.36Å
336W95.1Very high93.5Very high28 Ų2842.5 Ų42.511%0.10622%0.219CC..THydrogen-bonded Turntrans-86.9-0168.858.992.7000113.9R75 A78 D172 K334 W346 F358 P360 V361R75-W336 HydrophobicContact CG-CZ2 4.47Å; A78-W336 HydrophobicContact CB-CD2 4.39Å; A78-W336 HydrophobicContact CB-CE3 3.95Å; A78-W336 HydrophobicContact CB-CH2 3.23Å; A78-W336 HydrophobicContact CB-CZ2 3.76Å; A78-W336 HydrophobicContact CB-CZ3 3.36Å; D172-W336 HydrophobicContact CB-CH2 3.77Å; D172-W336 HydrophobicContact CB-CZ3 4.25Å; K334-W336 HydrophobicContact CB-CD2 3.76Å; K334-W336 VanDerWaalsContact CB-CE2 3.47Å; K334-W336 HydrophobicContact CB-CE3 4.11Å; K334-W336 HydrophobicContact CB-CG 4.36Å; K334-W336 HydrophobicContact CB-CH2 3.98Å; K334-W336 HydrophobicContact CB-CZ2 3.61Å; K334-W336 HydrophobicContact CB-CZ3 4.21Å; K334-W336 HydrophobicContact CD-CH2 3.91Å; K334-W336 HydrophobicContact CD-CZ2 3.9Å; K334-W336 HydrophobicContact CG-CH2 4.07Å; K334-W336 HydrophobicContact CG-CZ2 3.59Å; K334-W336 PolarHBondContact O-N 2.9Å; W336-W346 HydrophobicContact CB-CH2 3.91Å; W336-W346 HydrophobicContact CB-CZ2 4.2Å; W336-W346 HydrophobicContact CB-CZ3 4.29Å; W336-W346 HydrophobicContact CD2-CZ2 4.34Å; W336-W346 AromaticContact CE3-CE2 3.67Å; W336-W346 HydrophobicContact CE3-CH2 4.46Å; W336-W346 AromaticContact CE3-CZ2 3.62Å; W336-W346 HydrophobicContact CE3-CZ2 3.62Å; W336-W346 AromaticContact CE3-NE1 3.73Å; W336-W346 HydrophobicContact CZ3-CZ2 4.35Å; W336-W346 AromaticContact CZ3-NE1 3.79Å; W336-F358 HydrophobicContact CB-CE1 4.43Å; W336-F358 HydrophobicContact CB-CZ 3.88Å; W336-F358 AromaticContact CD1-CZ 3.86Å; W336-F358 AromaticContact CG-CZ 3.87Å; W336-F358 HydrophobicContact CG-CZ 3.87Å; W336-P360 HydrophobicContact CB-CB 4.18Å; W336-V361 PolarHBondContact O-N 3.47Å
337G92.4Very high93.3Very high21 Ų2145.4 Ų45.422%0.21624%0.235CC..SBendtrans-90.1-174.7175.100000113.1K334 P335 T339K334-G337 WeakPolarHBondContact O-CA 3.4Å; K334-G337 PolarHBondContact O-N 2.88Å; P335-G337 VanDerWaalsContact C-N 3.33Å; G337-T339 PolarHBondContact O-N 3.45Å
338R86.4Confident93.2Very high208 Ų20852 Ų5279%0.78527%0.265SS*.SBendtrans-65.1-39-175.5-73-177.3-177.3-135.20.7114.7V361R338-V361 HydrophobicContact CG-CB 4.41Å; R338-V361 HydrophobicContact CG-CG1 3.61Å
339T86.3Confident93.2Very high83 Ų8353.5 Ų53.551%0.50927%0.271SS..SBendtrans-142.3115.4-174.1540000109.2Y333 G337Y333-T339 WeakPolarHBondContact CB-O 3.36Å; Y333-T339 VanDerWaalsContact CD1-O 3.29Å; Y333-T339 WeakPolarHBondContact CD1-O 3.29Å; G337-T339 PolarHBondContact O-N 3.45Å
340S90.8Very high93.3Very high25 Ų2555.6 Ų55.618%0.17528%0.28CS..  trans-154.4150.3172.4-170.40000110.2Y333 K334 S343Y333-S340 PolarHBondContact O-OG 2.87Å; K334-S340 VanDerWaalsContact O-CB 3.3Å; K334-S340 WeakPolarHBondContact O-CB 3.42Å; S340-S343 PolarHBondContact O-OG 3.36Å
341S92.3Very high93.6Very high33 Ų3355.4 Ų55.423%0.23128%0.279CS..THydrogen-bonded Turntrans-73.4146.6175.8-59.90000109.8G313 W329 S343G313-S341 PolarHBondContact N-OG 3.22Å; W329-S341 PolarHBondContact NE1-O 2.9Å; S341-S343 PolarHBondContact O-N 3.45Å
342F94.6Very high94Very high26 Ų2658 Ų5811%0.11429%0.289CS..THydrogen-bonded Turntrans5927.5174.7-45.2-70.1000114.7L307 Y316 V321 W329 D344 V345L307-F342 HydrophobicContact CD2-CD2 3.99Å; L307-F342 HydrophobicContact CD2-CE2 4.03Å; Y316-F342 WeakPolarHBondContact O-CZ 3.34Å; V321-F342 HydrophobicContact CB-CD1 4.41Å; V321-F342 HydrophobicContact CB-CE1 4.46Å; V321-F342 HydrophobicContact CG1-CB 4.46Å; V321-F342 HydrophobicContact CG1-CD1 4.25Å; V321-F342 HydrophobicContact CG1-CG 4.25Å; V321-F342 HydrophobicContact CG2-CD1 4.02Å; V321-F342 HydrophobicContact CG2-CD2 4.16Å; V321-F342 HydrophobicContact CG2-CE1 3.78Å; V321-F342 HydrophobicContact CG2-CE2 3.93Å; V321-F342 HydrophobicContact CG2-CG 4.2Å; V321-F342 HydrophobicContact CG2-CZ 3.73Å; W329-F342 HydrophobicContact CZ2-CB 3.93Å; W329-F342 WeakPolarHBondContact CZ2-O 3.34Å; F342-D344 VanDerWaalsContact CA-OD1 3.25Å; F342-D344 WeakPolarHBondContact CA-OD1 3.27Å; F342-D344 PolarHBondContact O-N 3.01Å; F342-V345 HydrophobicContact CB-CG2 4.19Å; F342-V345 WeakPolarHBondContact O-CB 3.46Å; F342-V345 PolarHBondContact O-N 3.44Å
343S94.7Very high94.5Very high22 Ų2251.2 Ų51.215%0.15426%0.259CS..Hα-helixtrans-60.8-29.2179.8-570000112.3S340 S341 V345 W346 D347S340-S343 PolarHBondContact O-OG 3.36Å; S341-S343 PolarHBondContact O-N 3.45Å; S343-V345 VanDerWaalsContact C-N 3.3Å; S343-V345 PolarHBondContact O-N 2.96Å; S343-W346 PolarHBondContact O-N 3.37Å; S343-D347 WeakPolarHBondContact O-CB 3.3Å; S343-D347 PolarHBondContact O-N 2.99Å
344D94.4Very high94.7Very high100 Ų10050 Ų5054%0.53526%0.26SS..Hα-helixtrans-60.1-35.6173.659.9-52.8000112.9F342 D347 Q348F342-D344 VanDerWaalsContact CA-OD1 3.25Å; F342-D344 WeakPolarHBondContact CA-OD1 3.27Å; F342-D344 PolarHBondContact O-N 3.01Å; D344-D347 PolarHBondContact O-N 2.93Å; D344-Q348 WeakPolarHBondContact O-CG 3.26Å; D344-Q348 PolarHBondContact O-N 3.36Å
345V96.4Very high94.7Very high11 Ų1150.9 Ų50.97%0.06727%0.269CS..Hα-helixtrans-70.4-38.6176.4-176.20000110.7V321 L327 F342 S343V321-V345 HydrophobicContact CG1-CG2 4.12Å; L327-V345 HydrophobicContact CD1-CB 4.49Å; L327-V345 HydrophobicContact CD1-CG1 3.6Å; F342-V345 HydrophobicContact CB-CG2 4.19Å; F342-V345 WeakPolarHBondContact O-CB 3.46Å; F342-V345 PolarHBondContact O-N 3.44Å; S343-V345 VanDerWaalsContact C-N 3.3Å; S343-V345 PolarHBondContact O-N 2.96Å
346W97.3Very high94.7Very high0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-68-39.5175.1-174.695.6000111.7V81 V174 W329 P335 W336 S343 Q348 W349 F350 P360V81-W346 HydrophobicContact CB-CZ2 3.91Å; V81-W346 HydrophobicContact CG1-CD2 4.26Å; V81-W346 HydrophobicContact CG1-CG 4.18Å; V81-W346 HydrophobicContact CG1-CZ2 4.42Å; V81-W346 HydrophobicContact CG2-CD2 4.06Å; V81-W346 HydrophobicContact CG2-CE3 4.38Å; V81-W346 HydrophobicContact CG2-CH2 3.76Å; V81-W346 HydrophobicContact CG2-CZ2 3.38Å; V81-W346 HydrophobicContact CG2-CZ3 4.24Å; V174-W346 HydrophobicContact CG2-CG 4.43Å; W329-W346 HydrophobicContact CH2-CB 4.19Å; W329-W346 HydrophobicContact CZ2-CB 4.36Å; P335-W346 HydrophobicContact CB-CB 3.6Å; P335-W346 HydrophobicContact CB-CD2 4.1Å; P335-W346 HydrophobicContact CB-CG 3.62Å; P335-W346 HydrophobicContact CG-CB 3.87Å; P335-W346 HydrophobicContact CG-CD2 3.95Å; P335-W346 HydrophobicContact CG-CG 3.42Å; P335-W346 VanDerWaalsContact CG-CG 3.42Å; W336-W346 HydrophobicContact CB-CH2 3.91Å; W336-W346 HydrophobicContact CB-CZ2 4.2Å; W336-W346 HydrophobicContact CB-CZ3 4.29Å; W336-W346 HydrophobicContact CD2-CZ2 4.34Å; W336-W346 AromaticContact CE3-CE2 3.67Å; W336-W346 HydrophobicContact CE3-CH2 4.46Å; W336-W346 AromaticContact CE3-CZ2 3.62Å; W336-W346 HydrophobicContact CE3-CZ2 3.62Å; W336-W346 AromaticContact CE3-NE1 3.73Å; W336-W346 HydrophobicContact CZ3-CZ2 4.35Å; W336-W346 AromaticContact CZ3-NE1 3.79Å; S343-W346 PolarHBondContact O-N 3.37Å; W346-Q348 PolarHBondContact O-N 2.92Å; W346-W349 PolarHBondContact O-N 3.26Å; W346-F350 HydrophobicContact CE3-CB 4.22Å; W346-F350 HydrophobicContact CH2-CB 4.17Å; W346-F350 AromaticContact CH2-CD2 3.38Å; W346-F350 HydrophobicContact CH2-CD2 3.38Å; W346-F350 HydrophobicContact CH2-CE2 4.07Å; W346-F350 AromaticContact CH2-CG 3.97Å; W346-F350 HydrophobicContact CH2-CG 3.97Å; W346-F350 HydrophobicContact CZ2-CD2 4.38Å; W346-F350 HydrophobicContact CZ3-CB 3.67Å; W346-F350 AromaticContact CZ3-CD2 3.68Å; W346-F350 HydrophobicContact CZ3-CD2 3.68Å; W346-F350 AromaticContact CZ3-CG 3.75Å; W346-F350 HydrophobicContact CZ3-CG 3.75Å; W346-P360 HydrophobicContact CH2-CG 4.22Å; W346-P360 HydrophobicContact CZ3-CB 4.39Å; W346-P360 HydrophobicContact CZ3-CG 3.88Å
347D96.1Very high94.7Very high61 Ų6159 Ų5933%0.32632%0.321SS..Hα-helixtrans-60.6-29.4-178.7-81-25.7000113.7S343 D344 W349 F350 R362S343-D347 WeakPolarHBondContact O-CB 3.3Å; S343-D347 PolarHBondContact O-N 2.99Å; D344-D347 PolarHBondContact O-N 2.93Å; D347-W349 PolarHBondContact O-N 3.46Å; D347-W349 VanDerWaalsContact O-N 3.15Å; D347-F350 PolarHBondContact O-N 3.46Å; D347-R362 IonicContact OD1-CZ 2.61Å; D347-R362 IonicContact OD1-NE 3.73Å; D347-R362 PolarHBondContact OD1-NE 3.14Å; D347-R362 IonicContact OD1-NH2 3.53Å; D347-R362 PolarHBondContact OD1-NH2 3.44Å; D347-R362 IonicContact OD2-CZ 3.31Å; D347-R362 IonicContact OD2-NE 3.56Å; D347-R362 PolarHBondContact OD2-NE 3.5Å; D347-R362 IonicContact OD2-NH2 2.75Å; D347-R362 PolarHBondContact OD2-NH2 3.49Å
348Q96.6Very high94.9Very high138 Ų13859.1 Ų59.165%0.64532%0.316SS*.THydrogen-bonded Turntrans-59.6-25.6175.4-67.8171.822.300113.3D344 W346D344-Q348 WeakPolarHBondContact O-CG 3.26Å; D344-Q348 PolarHBondContact O-N 3.36Å; W346-Q348 PolarHBondContact O-N 2.92Å
349W97.9Very high95.3Very high33 Ų3355.5 Ų55.513%0.12531%0.308CS..THydrogen-bonded Turntrans-102.7-7.5-176.7-58.1101.9000112.7V81 N84 S85 R88 N89 V174 W346 D347 I351V81-W349 HydrophobicContact CB-CB 4.4Å; V81-W349 HydrophobicContact CG1-CB 3.71Å; V81-W349 HydrophobicContact CG2-CB 4.3Å; N84-W349 PolarHBondContact ND2-O 2.99Å; S85-W349 VanDerWaalsContact CA-CE3 3.48Å; R88-W349 HydrophobicContact CB-CH2 4.48Å; R88-W349 HydrophobicContact CB-CZ3 3.68Å; R88-W349 HydrophobicContact CG-CZ3 4.32Å; N89-W349 WeakPolarHBondContact ND2-CH2 3.18Å; N89-W349 VanDerWaalsContact ND2-CZ2 3.26Å; N89-W349 WeakPolarHBondContact ND2-CZ2 3.41Å; N89-W349 WeakPolarHBondContact OD1-CH2 3.26Å; V174-W349 VanDerWaalsContact CG1-CD1 3.4Å; V174-W349 HydrophobicContact CG1-CG 4.22Å; V174-W349 VanDerWaalsContact CG1-NE1 3.32Å; W346-W349 PolarHBondContact O-N 3.26Å; D347-W349 PolarHBondContact O-N 3.46Å; D347-W349 VanDerWaalsContact O-N 3.15Å; W349-I351 PolarHBondContact O-N 2.9Å
350F97.9Very high95.6Very high43 Ų4352.6 Ų52.619%0.18929%0.29CS..  trans-70.5132.1-176.7-178.2-114.5000111.3V81 W111 W346 D347 P352 F358 P360V81-F350 HydrophobicContact CG2-CB 4.01Å; V81-F350 HydrophobicContact CG2-CD2 4.1Å; W111-F350 HydrophobicContact CH2-CE2 4.37Å; W111-F350 AromaticContact CZ2-CE2 3.96Å; W111-F350 HydrophobicContact CZ2-CE2 3.96Å; W111-F350 HydrophobicContact CZ2-CZ 4.32Å; W346-F350 HydrophobicContact CE3-CB 4.22Å; W346-F350 HydrophobicContact CH2-CB 4.17Å; W346-F350 AromaticContact CH2-CD2 3.38Å; W346-F350 HydrophobicContact CH2-CD2 3.38Å; W346-F350 HydrophobicContact CH2-CE2 4.07Å; W346-F350 AromaticContact CH2-CG 3.97Å; W346-F350 HydrophobicContact CH2-CG 3.97Å; W346-F350 HydrophobicContact CZ2-CD2 4.38Å; W346-F350 HydrophobicContact CZ3-CB 3.67Å; W346-F350 AromaticContact CZ3-CD2 3.68Å; W346-F350 HydrophobicContact CZ3-CD2 3.68Å; W346-F350 AromaticContact CZ3-CG 3.75Å; W346-F350 HydrophobicContact CZ3-CG 3.75Å; D347-F350 PolarHBondContact O-N 3.46Å; F350-P352 HydrophobicContact CE1-CG 4.49Å; F350-F358 AromaticContact CE2-CD1 3.95Å; F350-F358 HydrophobicContact CE2-CD1 3.95Å; F350-F358 AromaticContact CE2-CE1 3.81Å; F350-F358 HydrophobicContact CE2-CE1 3.81Å; F350-F358 HydrophobicContact CZ-CD1 4.13Å; F350-F358 HydrophobicContact CZ-CE1 4.26Å; F350-P360 HydrophobicContact CD1-CG 3.89Å; F350-P360 HydrophobicContact CD2-CG 4.22Å; F350-P360 HydrophobicContact CE1-CG 3.66Å; F350-P360 HydrophobicContact CE2-CG 4.01Å; F350-P360 HydrophobicContact CG-CG 4.17Å; F350-P360 VanDerWaalsContact CZ-CD 3.45Å; F350-P360 HydrophobicContact CZ-CG 3.74Å
351I97.8Very high95.7Very high16 Ų1654.2 Ų54.28%0.08230%0.299CS..  trans-112.6121.1173-60.9174.5000106.5I80 N84 W111 T115 T116 L117 W349I80-I351 HydrophobicContact CG2-CB 3.9Å; I80-I351 HydrophobicContact CG2-CD1 4.24Å; I80-I351 HydrophobicContact CG2-CG1 4.36Å; N84-I351 HydrophobicContact CB-CD1 3.95Å; W111-I351 VanDerWaalsContact CZ2-O 3.28Å; W111-I351 WeakPolarHBondContact CZ2-O 3.4Å; W111-I351 PolarHBondContact NE1-O 2.78Å; W111-I351 VanDerWaalsContact NE1-O 3.12Å; T115-I351 HydrophobicContact CG2-CG2 3.48Å; T115-I351 VanDerWaalsContact CG2-CG2 3.48Å; T116-I351 WeakPolarHBondContact OG1-CD1 3.18Å; L117-I351 HydrophobicContact CD1-CD1 4.15Å; L117-I351 HydrophobicContact CD2-CD1 4.34Å; L117-I351 HydrophobicContact CG-CD1 3.83Å; W349-I351 PolarHBondContact O-N 2.9Å
352P97.4Very high95.4Very high93 Ų9356.5 Ų56.560%0.60430%0.302SS*.  trans-52.7141.3179.8-28.135.2000113W111 F350 P354W111-P352 PolarHBondContact NE1-O 2.97Å; F350-P352 HydrophobicContact CE1-CG 4.49Å; P352-P354 WeakPolarHBondContact O-CD 3.38Å
353D97.8Very high94.1Very high15 Ų1563.7 Ų63.78%0.0833%0.334CS..  trans-69.3116.5174.9179.40.5000110.2H107 W111 T355 G356 K357 F358H107-D353 IonicContact CD2-OD1 3.72Å; H107-D353 IonicContact CE1-OD2 2.62Å; H107-D353 IonicContact NE2-OD1 3.38Å; H107-D353 PolarHBondContact NE2-OD1 2.96Å; H107-D353 IonicContact NE2-OD2 3.56Å; H107-D353 PolarHBondContact NE2-OD2 3.39Å; W111-D353 HydrophobicContact CD2-CB 4.1Å; W111-D353 VanDerWaalsContact CE2-CA 3.42Å; W111-D353 HydrophobicContact CE3-CB 4.1Å; W111-D353 HydrophobicContact CH2-CB 3.62Å; W111-D353 HydrophobicContact CZ2-CB 3.56Å; W111-D353 HydrophobicContact CZ3-CB 3.87Å; D353-T355 VanDerWaalsContact CG-OG1 3.27Å; D353-T355 PolarHBondContact O-N 3.37Å; D353-T355 VanDerWaalsContact O-N 3.16Å; D353-T355 WeakPolarHBondContact OD1-CA 3.32Å; D353-T355 WeakPolarHBondContact OD1-CB 3.4Å; D353-T355 PolarHBondContact OD1-N 2.96Å; D353-T355 PolarHBondContact OD1-OG1 3.39Å; D353-T355 PolarHBondContact OD2-OG1 2.95Å; D353-G356 PolarHBondContact O-N 3.27Å; D353-G356 VanDerWaalsContact O-N 3.11Å; D353-G356 PolarHBondContact OD2-N 3.4Å; D353-K357 WeakPolarHBondContact OD2-CA 3.28Å; D353-K357 WeakPolarHBondContact OD2-CB 3.45Å; D353-K357 PolarHBondContact OD2-N 3.1Å; D353-F358 HydrophobicContact CB-CB 4.22Å; D353-F358 WeakPolarHBondContact CB-O 3.4Å; D353-F358 PolarHBondContact OD2-N 3.12Å
354P96.9Very high92.2Very high56 Ų5670.4 Ų70.436%0.36436%0.362SS..THydrogen-bonded Turntrans-67.4-12.6178.830-36.4000113.5W111 K114 P352W111-P354 VanDerWaalsContact CD1-CD 3.46Å; W111-P354 HydrophobicContact CG-CG 4.47Å; K114-P354 HydrophobicContact CB-CB 4.11Å; K114-P354 HydrophobicContact CB-CG 4.06Å; K114-P354 HydrophobicContact CD-CB 4.03Å; K114-P354 HydrophobicContact CD-CG 4.2Å; P352-P354 WeakPolarHBondContact O-CD 3.38Å
355T95.1Very high89.8Confident56 Ų5670.6 Ų70.634%0.34438%0.378SS..THydrogen-bonded Turntrans-94.3-14.6175.579.30000113H107 A110 D353 K357H107-T355 PolarHBondContact NE2-OG1 3.05Å; A110-T355 HydrophobicContact CB-CG2 4.13Å; D353-T355 VanDerWaalsContact CG-OG1 3.27Å; D353-T355 PolarHBondContact O-N 3.37Å; D353-T355 VanDerWaalsContact O-N 3.16Å; D353-T355 WeakPolarHBondContact OD1-CA 3.32Å; D353-T355 WeakPolarHBondContact OD1-CB 3.4Å; D353-T355 PolarHBondContact OD1-N 2.96Å; D353-T355 PolarHBondContact OD1-OG1 3.39Å; D353-T355 PolarHBondContact OD2-OG1 2.95Å; T355-K357 PolarHBondContact O-N 3.49Å; T355-K357 WeakPolarHBondContact OG1-CG 3.39Å; T355-K357 PolarHBondContact OG1-N 3.35Å
356G94.9Very high86.8Confident56 Ų5680.7 Ų80.758%0.57743%0.431SS*.SBendtrans70.89.6-177.800000115.1D353D353-G356 PolarHBondContact O-N 3.27Å; D353-G356 VanDerWaalsContact O-N 3.11Å; D353-G356 PolarHBondContact OD2-N 3.4Å
357K94.8Very high86.3Confident144 Ų14484.8 Ų84.863%0.62645%0.453SS*.SBendtrans-76.7-31.7179.7-71178.1175.4-172.80112.6D353 T355D353-K357 WeakPolarHBondContact OD2-CA 3.28Å; D353-K357 WeakPolarHBondContact OD2-CB 3.45Å; D353-K357 PolarHBondContact OD2-N 3.1Å; T355-K357 PolarHBondContact O-N 3.49Å; T355-K357 WeakPolarHBondContact OG1-CG 3.39Å; T355-K357 PolarHBondContact OG1-N 3.35Å
358F96.3Very high85.8Confident22 Ų2286 Ų8610%0.09646%0.46CS..  trans-111.6131.4176.3-175.8-78.6000111.1W111 W336 F350 D353 P360W111-F358 HydrophobicContact CH2-CB 3.53Å; W111-F358 AromaticContact CH2-CD1 3.6Å; W111-F358 HydrophobicContact CH2-CD1 3.6Å; W111-F358 HydrophobicContact CH2-CE1 4.48Å; W111-F358 AromaticContact CH2-CG 3.66Å; W111-F358 HydrophobicContact CH2-CG 3.66Å; W111-F358 HydrophobicContact CZ2-CD1 4.46Å; W111-F358 HydrophobicContact CZ3-CB 3.61Å; W111-F358 HydrophobicContact CZ3-CD1 4.44Å; W111-F358 HydrophobicContact CZ3-CG 4.06Å; W336-F358 HydrophobicContact CB-CE1 4.43Å; W336-F358 HydrophobicContact CB-CZ 3.88Å; W336-F358 AromaticContact CD1-CZ 3.86Å; W336-F358 AromaticContact CG-CZ 3.87Å; W336-F358 HydrophobicContact CG-CZ 3.87Å; F350-F358 AromaticContact CE2-CD1 3.95Å; F350-F358 HydrophobicContact CE2-CD1 3.95Å; F350-F358 AromaticContact CE2-CE1 3.81Å; F350-F358 HydrophobicContact CE2-CE1 3.81Å; F350-F358 HydrophobicContact CZ-CD1 4.13Å; F350-F358 HydrophobicContact CZ-CE1 4.26Å; D353-F358 HydrophobicContact CB-CB 4.22Å; D353-F358 WeakPolarHBondContact CB-O 3.4Å; D353-F358 PolarHBondContact OD2-N 3.12Å; F358-P360 HydrophobicContact CE1-CG 4.24Å
359H94.4Very high85.2Confident133 Ų13383.1 Ų83.162%0.61645%0.449SS*.  trans-142.2138.6167.758.477.9000110V361H359-V361 PolarHBondContact O-N 3.08Å
360P93.9Very high84.4Confident21 Ų2186.1 Ų86.114%0.13647%0.468CS..  trans-60.7139.6170.5-19.531.3000110.3W336 W346 F350 F358 R362W336-P360 HydrophobicContact CB-CB 4.18Å; W346-P360 HydrophobicContact CH2-CG 4.22Å; W346-P360 HydrophobicContact CZ3-CB 4.39Å; W346-P360 HydrophobicContact CZ3-CG 3.88Å; F350-P360 HydrophobicContact CD1-CG 3.89Å; F350-P360 HydrophobicContact CD2-CG 4.22Å; F350-P360 HydrophobicContact CE1-CG 3.66Å; F350-P360 HydrophobicContact CE2-CG 4.01Å; F350-P360 HydrophobicContact CG-CG 4.17Å; F350-P360 VanDerWaalsContact CZ-CD 3.45Å; F350-P360 HydrophobicContact CZ-CG 3.74Å; F358-P360 HydrophobicContact CE1-CG 4.24Å; P360-R362 HydrophobicContact CB-CG 4.47Å; P360-R362 PolarHBondContact O-N 3.45Å
361V91.8Very high83.6Confident60 Ų6088.8 Ų88.836%0.36449%0.486SS..  trans-80113.2174.1-174.50000107.8W336 R338 H359W336-V361 PolarHBondContact O-N 3.47Å; R338-V361 HydrophobicContact CG-CB 4.41Å; R338-V361 HydrophobicContact CG-CG1 3.61Å; H359-V361 PolarHBondContact O-N 3.08Å
362R86.6Confident82.6Confident80 Ų8093.6 Ų93.630%0.30251%0.513SS..  trans-117.4141177.5-60.7-70.5169.5-99.39108.7P335 D347 P360 H364P335-R362 VanDerWaalsContact O-CZ 3.25Å; P335-R362 PolarHBondContact O-NH1 3.41Å; P335-R362 PolarHBondContact O-NH2 3.36Å; D347-R362 IonicContact OD1-CZ 2.61Å; D347-R362 IonicContact OD1-NE 3.73Å; D347-R362 PolarHBondContact OD1-NE 3.14Å; D347-R362 IonicContact OD1-NH2 3.53Å; D347-R362 PolarHBondContact OD1-NH2 3.44Å; D347-R362 IonicContact OD2-CZ 3.31Å; D347-R362 IonicContact OD2-NE 3.56Å; D347-R362 PolarHBondContact OD2-NE 3.5Å; D347-R362 IonicContact OD2-NH2 2.75Å; D347-R362 PolarHBondContact OD2-NH2 3.49Å; P360-R362 HydrophobicContact CB-CG 4.47Å; P360-R362 PolarHBondContact O-N 3.45Å; R362-H364 PolarHBondContact O-N 3.45Å
363K68.2Low81.6Confident178 Ų17893.6 Ų93.677%0.77451%0.506SS*.  trans-72.6121.2162.5-74.7-172.4176.4-1750106.1A365K363-A365 PolarHBondContact O-N 2.94Å
364H54.5Low80.3Confident162 Ų16299.7 Ų99.775%0.7554%0.539SS*.  trans-58.5127.6160.6-66.1-69.3000106.7R362 D366R362-H364 PolarHBondContact O-N 3.45Å; H364-D366 PolarHBondContact O-N 2.92Å; H364-D366 VanDerWaalsContact O-N 3.1Å
365A44.4Very low79Confident105 Ų105103.3 Ų103.387%0.86855%0.554SS**  trans-72.995162.400000104.8K363K363-A365 PolarHBondContact O-N 2.94Å
366D32.8Very low77.5Confident223 Ų223107.6 Ų107.6100%1.19357%0.573SS**  trans-67.70165.4-69-26.8000110H364H364-D366 PolarHBondContact O-N 2.92Å; H364-D366 VanDerWaalsContact O-N 3.1Å

Retrieved 366 of 366 residues in 218.1 ms (Link to these results)

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