A0A093H953_STRCA Loading...

[heparan sulfate]-glucosamine N-sulfotransferase

AlphaFold DB , UniProt , Accession A0A093H953, Species STRCA (Struthio camelus australis), Gene n/a, Length 873 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
1M49Very low55.3Low224 Ų224149.6 Ų149.6100%1.10372%0.717SS**  0660-161.816888.600110.8
2N53.1Low56.5Low135 Ų135153.3 Ų153.372%0.72272%0.718SS**  trans-159.620.9-176-118.3-10.9000119.1
3L48Very low57.8Low134 Ų134147.8 Ų147.870%0.70270%0.701SS**SBendtrans-111.7-41.1175-155.775.8000112.8V5 R6 L7L3-V5 PolarHBondContact O-N 3.05Å; L3-R6 PolarHBondContact O-N 3.43Å; L3-L7 PolarHBondContact O-N 2.89Å; L3-L7 VanDerWaalsContact O-N 3.16Å
4T53.3Low58.9Low115 Ų115144.3 Ų144.371%0.70669%0.688SS**Hα-helixtrans-65.7-33.817939.90000113.5R8T4-R8 PolarHBondContact O-N 3.2Å
5V57Low60.3Low87 Ų87139.5 Ų139.553%0.52767%0.672SS.*Hα-helixtrans-72.5-33.6177.1-179.30000111.7L3 R9L3-V5 PolarHBondContact O-N 3.05Å; V5-R9 PolarHBondContact O-N 3.4Å
6R51.9Low61.7Low199 Ų199137.5 Ų137.575%0.75166%0.664SS**Hα-helixtrans-69.8-42.9176.7-115.1179.5177.8179.6-0.6111.7L3 R9 S10L3-R6 PolarHBondContact O-N 3.43Å; R6-R9 PolarHBondContact O-N 2.88Å; R6-S10 PolarHBondContact O-N 3.28Å; R6-S10 VanDerWaalsContact O-N 3.12Å
7L50.2Low62.9Low123 Ų123135.7 Ų135.764%0.64466%0.658SS**Hα-helixtrans-63.3-41.7175.6-110.891.3000112.4L3 R9 S10 F11L3-L7 PolarHBondContact O-N 2.89Å; L3-L7 VanDerWaalsContact O-N 3.16Å; L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 3.38Å; L7-S10 PolarHBondContact O-N 2.72Å; L7-F11 PolarHBondContact O-N 3.11Å
8R57Low63.6Low208 Ų208134.2 Ų134.279%0.78565%0.653SS**Hα-helixtrans-65.3-35.6178.6-118.6-179.8-179.9-178.90.6113T4 R12T4-R8 PolarHBondContact O-N 3.2Å; R8-R12 PolarHBondContact O-N 3.35Å; R8-R12 VanDerWaalsContact O-N 3.16Å
9R56.9Low64.6Low196 Ų196129.7 Ų129.774%0.7464%0.64SS**Hα-helixtrans-66.6-46.8174.3-106-179.6169.9177.3-2.9111.2V5 R6 L7 F11 R12 T13V5-R9 PolarHBondContact O-N 3.4Å; R6-R9 PolarHBondContact O-N 2.88Å; L7-R9 VanDerWaalsContact C-N 3.34Å; L7-R9 PolarHBondContact O-N 3.38Å; R9-F11 VanDerWaalsContact C-N 3.34Å; R9-F11 PolarHBondContact O-N 3.18Å; R9-R12 PolarHBondContact O-N 3.23Å; R9-T13 PolarHBondContact O-N 3.05Å; R9-T13 PolarHBondContact O-OG1 3.26Å
10S62.8Low65.7Low84 Ų84127 Ų12759%0.58763%0.631SS**Hα-helixtrans-61.4-39.9178.5-167.10000112.8R6 L7 T13 L14R6-S10 PolarHBondContact O-N 3.28Å; R6-S10 VanDerWaalsContact O-N 3.12Å; L7-S10 PolarHBondContact O-N 2.72Å; S10-T13 PolarHBondContact O-N 3.43Å; S10-L14 PolarHBondContact O-N 2.93Å; S10-L14 VanDerWaalsContact O-N 3.09Å
11F69.6Low66.4Low141 Ų141128.8 Ų128.862%0.61864%0.636SS**Hα-helixtrans-69-40.4178.6-164.8-98.9000112.2L7 R9 T13 L14 V15L7-F11 PolarHBondContact O-N 3.11Å; R9-F11 VanDerWaalsContact C-N 3.34Å; R9-F11 PolarHBondContact O-N 3.18Å; F11-T13 PolarHBondContact O-N 2.97Å; F11-L14 PolarHBondContact O-N 2.9Å; F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.89Å; F11-V15 HydrophobicContact CZ-CG2 4.39Å; F11-V15 WeakPolarHBondContact O-CG2 3.18Å; F11-V15 PolarHBondContact O-N 3.11Å
12R69.6Low67.7Low194 Ų194121.7 Ų121.773%0.73261%0.607SS**Hα-helixtrans-62.6-41.7173.6-96.5-175.9167.4-173.2-3.9112.3R8 R9 L14 V15 I16R8-R12 PolarHBondContact O-N 3.35Å; R8-R12 VanDerWaalsContact O-N 3.16Å; R9-R12 PolarHBondContact O-N 3.23Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 2.87Å; R12-V15 PolarHBondContact O-N 2.83Å; R12-I16 WeakPolarHBondContact O-CD1 3.39Å; R12-I16 VanDerWaalsContact O-CG1 3.26Å; R12-I16 WeakPolarHBondContact O-CG1 3.28Å; R12-I16 PolarHBondContact O-N 3.05Å
13T73.2Confident69.1Low81 Ų81121 Ų12150%0.49760%0.603SS.*Hα-helixtrans-63.9-38.9177.8-49.60000111.6R9 S10 F11 I16 L17R9-T13 PolarHBondContact O-N 3.05Å; R9-T13 PolarHBondContact O-OG1 3.26Å; S10-T13 PolarHBondContact O-N 3.43Å; F11-T13 PolarHBondContact O-N 2.97Å; T13-I16 PolarHBondContact O-N 3.25Å; T13-L17 HydrophobicContact CG2-CD1 4.36Å; T13-L17 WeakPolarHBondContact O-CB 3.38Å; T13-L17 PolarHBondContact O-N 2.9Å
14L72.8Confident70.7Confident99 Ų99117.2 Ų117.252%0.51859%0.59SS.*Hα-helixtrans-66.5-42.8176.9-168.372.4000112.4S10 F11 R12 I16 L17 L18S10-L14 PolarHBondContact O-N 2.93Å; S10-L14 VanDerWaalsContact O-N 3.09Å; F11-L14 PolarHBondContact O-N 2.9Å; R12-L14 VanDerWaalsContact C-N 3.32Å; R12-L14 PolarHBondContact O-N 2.87Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-L17 PolarHBondContact O-N 2.88Å; L14-L18 HydrophobicContact CG-CD1 4.35Å; L14-L18 PolarHBondContact O-N 2.75Å
15V80.6Confident71.7Confident73 Ų73114.7 Ų114.744%0.44258%0.578SS.*Hα-helixtrans-65.1-39.5177.3172.60000111.3F11 R12 L18 A19F11-V15 HydrophobicContact CD1-CG2 4.11Å; F11-V15 HydrophobicContact CE1-CG2 3.89Å; F11-V15 HydrophobicContact CZ-CG2 4.39Å; F11-V15 WeakPolarHBondContact O-CG2 3.18Å; F11-V15 PolarHBondContact O-N 3.11Å; R12-V15 PolarHBondContact O-N 2.83Å; V15-L18 PolarHBondContact O-N 2.97Å; V15-A19 WeakPolarHBondContact O-CB 3.41Å; V15-A19 PolarHBondContact O-N 3.48Å
16I82.8Confident72.9Confident107 Ų107115.9 Ų115.955%0.54958%0.58SS.*Hα-helixtrans-65.6-42.2176.5-68.9164000110.8R12 T13 L14 A19 T20R12-I16 WeakPolarHBondContact O-CD1 3.39Å; R12-I16 VanDerWaalsContact O-CG1 3.26Å; R12-I16 WeakPolarHBondContact O-CG1 3.28Å; R12-I16 PolarHBondContact O-N 3.05Å; T13-I16 PolarHBondContact O-N 3.25Å; L14-I16 VanDerWaalsContact C-N 3.35Å; I16-A19 PolarHBondContact O-N 3.29Å; I16-T20 WeakPolarHBondContact O-CG2 3.34Å; I16-T20 PolarHBondContact O-N 3.16Å; I16-T20 PolarHBondContact O-OG1 3.29Å; I16-T20 VanDerWaalsContact O-OG1 3.1Å
17L81.3Confident74Confident107 Ų107108.4 Ų108.456%0.5657%0.565SS**Hα-helixtrans-63.1-40.5176.2-90.7160.4000112.9T13 L14 T20 F21T13-L17 HydrophobicContact CG2-CD1 4.36Å; T13-L17 WeakPolarHBondContact O-CB 3.38Å; T13-L17 PolarHBondContact O-N 2.9Å; L14-L17 PolarHBondContact O-N 2.88Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-OG1 2.85Å; L17-F21 WeakPolarHBondContact O-CB 3.5Å; L17-F21 PolarHBondContact O-N 2.81Å
18L76Confident75.1Confident108 Ų108107.3 Ų107.357%0.56556%0.558SS**Hα-helixtrans-65.6-43175.1-92.1153.3000111.7L14 V15 F21 C22L14-L18 HydrophobicContact CG-CD1 4.35Å; L14-L18 PolarHBondContact O-N 2.75Å; V15-L18 PolarHBondContact O-N 2.97Å; L18-F21 PolarHBondContact O-N 3.35Å; L18-C22 PolarHBondContact O-N 3.17Å
19A83.5Confident75.4Confident50 Ų50100.6 Ų100.641%0.41354%0.543SS..Hα-helixtrans-64.5-41.5177.900000112V15 I16 C22 L23V15-A19 WeakPolarHBondContact O-CB 3.41Å; V15-A19 PolarHBondContact O-N 3.48Å; I16-A19 PolarHBondContact O-N 3.29Å; A19-C22 PolarHBondContact O-N 2.69Å; A19-L23 WeakPolarHBondContact O-CG 3.49Å; A19-L23 PolarHBondContact O-N 2.97Å
20T85.3Confident75.8Confident75 Ų7593.8 Ų93.846%0.4653%0.529SS..Hα-helixtrans-67.6-37.5176.851.20000112.2I16 L17 L23 A24I16-T20 WeakPolarHBondContact O-CG2 3.34Å; I16-T20 PolarHBondContact O-N 3.16Å; I16-T20 PolarHBondContact O-OG1 3.29Å; I16-T20 VanDerWaalsContact O-OG1 3.1Å; L17-T20 WeakPolarHBondContact CA-OG1 3.37Å; L17-T20 PolarHBondContact O-OG1 2.85Å; T20-L23 PolarHBondContact O-N 3.11Å; T20-A24 WeakPolarHBondContact O-CB 3.23Å; T20-A24 PolarHBondContact O-N 2.89Å
21F81.6Confident76Confident165 Ų16596.9 Ų96.972%0.72453%0.529SS*.Hα-helixtrans-66.3-41.1176.2-147.4-88.4000112L17 L18 A24 S25L17-F21 WeakPolarHBondContact O-CB 3.5Å; L17-F21 PolarHBondContact O-N 2.81Å; L18-F21 PolarHBondContact O-N 3.35Å; F21-A24 PolarHBondContact O-N 3.38Å; F21-S25 WeakPolarHBondContact O-CB 3.36Å; F21-S25 PolarHBondContact O-N 3.33Å
22C75.3Confident75.4Confident75 Ų7598.2 Ų98.251%0.50753%0.531SS..Hα-helixtrans-62.3-45174-790000112.1L18 A19 A24 S25 I26L18-C22 PolarHBondContact O-N 3.17Å; A19-C22 PolarHBondContact O-N 2.69Å; C22-A24 PolarHBondContact O-N 2.93Å; C22-S25 PolarHBondContact O-N 3.27Å; C22-I26 VanDerWaalsContact O-CG1 3.28Å; C22-I26 WeakPolarHBondContact O-CG1 3.35Å; C22-I26 PolarHBondContact O-N 2.62Å
23L83.4Confident74.6Confident121 Ų12195.7 Ų95.763%0.63453%0.531SS*.Hα-helixtrans-65.9-38.3178.7-71.8169.5000112.1A19 T20 I26 G27A19-L23 WeakPolarHBondContact O-CG 3.49Å; A19-L23 PolarHBondContact O-N 2.97Å; T20-L23 PolarHBondContact O-N 3.11Å; L23-I26 PolarHBondContact O-N 3.25Å; L23-G27 PolarHBondContact O-N 2.94Å
24A81.6Confident73.2Confident53 Ų53101.9 Ų101.944%0.43855%0.547SS..Hα-helixtrans-64.8-42173.800000111.8T20 F21 C22 I26 G27 I28T20-A24 WeakPolarHBondContact O-CB 3.23Å; T20-A24 PolarHBondContact O-N 2.89Å; F21-A24 PolarHBondContact O-N 3.38Å; C22-A24 PolarHBondContact O-N 2.93Å; A24-I26 PolarHBondContact O-N 3.31Å; A24-G27 PolarHBondContact O-N 3Å; A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.14Å; A24-I28 PolarHBondContact O-N 2.8Å
25S73.6Confident71.6Confident63 Ų63101.2 Ų101.244%0.44155%0.547SS..Hα-helixtrans-61.7-42.2175.4-171.70000112F21 C22 I28 S29F21-S25 WeakPolarHBondContact O-CB 3.36Å; F21-S25 PolarHBondContact O-N 3.33Å; C22-S25 PolarHBondContact O-N 3.27Å; S25-I28 PolarHBondContact O-N 2.82Å; S25-S29 WeakPolarHBondContact O-CB 3.27Å; S25-S29 PolarHBondContact O-N 3.37Å; S25-S29 PolarHBondContact O-OG 2.99Å
26I81.3Confident69.8Low111 Ų111100.7 Ų100.757%0.56956%0.557SS**Hα-helixtrans-64.7-42176.3-67.4164.4000110.4C22 L23 A24 S29 A30C22-I26 VanDerWaalsContact O-CG1 3.28Å; C22-I26 WeakPolarHBondContact O-CG1 3.35Å; C22-I26 PolarHBondContact O-N 2.62Å; L23-I26 PolarHBondContact O-N 3.25Å; A24-I26 PolarHBondContact O-N 3.31Å; I26-S29 PolarHBondContact O-N 3.16Å; I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 2.87Å
27G77Confident67.4Low42 Ų42105.1 Ų105.143%0.43357%0.568SS.*Hα-helixtrans-62.5-41.6176.300000113.3L23 A24 Y31L23-G27 PolarHBondContact O-N 2.94Å; A24-G27 PolarHBondContact O-N 3Å; G27-Y31 WeakPolarHBondContact O-CB 3.29Å; G27-Y31 PolarHBondContact O-N 2.78Å
28I72.6Confident64.9Low100 Ų100109.5 Ų109.551%0.51358%0.582SS.*Hα-helixtrans-67.9-45.1176.7-67.3166000110.5A24 S25 A30 Y31 Y32A24-I28 VanDerWaalsContact O-CG1 3.3Å; A24-I28 WeakPolarHBondContact O-CG1 3.14Å; A24-I28 PolarHBondContact O-N 2.8Å; S25-I28 PolarHBondContact O-N 2.82Å; I28-A30 PolarHBondContact O-N 2.82Å; I28-Y31 PolarHBondContact O-N 2.97Å; I28-Y32 HydrophobicContact CG2-CD2 3.85Å; I28-Y32 HydrophobicContact CG2-CE2 3.92Å; I28-Y32 WeakPolarHBondContact O-CD2 3.49Å; I28-Y32 PolarHBondContact O-N 3.07Å
29S62.2Low62.7Low67 Ų67113.4 Ų113.447%0.46960%0.598SS.*Hα-helixtrans-61.5-42175.7-72.80000112.2S25 I26 Y32 L33S25-S29 WeakPolarHBondContact O-CB 3.27Å; S25-S29 PolarHBondContact O-N 3.37Å; S25-S29 PolarHBondContact O-OG 2.99Å; I26-S29 PolarHBondContact O-N 3.16Å; S29-Y32 PolarHBondContact O-N 3.42Å; S29-L33 WeakPolarHBondContact O-CB 3.09Å; S29-L33 WeakPolarHBondContact O-CD1 3.38Å; S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.43Å
30A65.2Low60Low53 Ų53117.1 Ų117.144%0.43862%0.618SS.*Hα-helixtrans-65-38176.300000112.2I26 I28 L33 Y34I26-A30 VanDerWaalsContact O-CB 3.27Å; I26-A30 WeakPolarHBondContact O-CB 3.42Å; I26-A30 PolarHBondContact O-N 2.87Å; I28-A30 PolarHBondContact O-N 2.82Å; A30-L33 PolarHBondContact O-N 3.17Å; A30-Y34 WeakPolarHBondContact O-CB 3.43Å; A30-Y34 PolarHBondContact O-N 3.29Å
31Y67.4Low57.2Low150 Ų150121.4 Ų121.459%0.58864%0.635SS**Hα-helixtrans-62.3-49.1175179-100.3000111.7G27 I28 L33 Y34 T35G27-Y31 WeakPolarHBondContact O-CB 3.29Å; G27-Y31 PolarHBondContact O-N 2.78Å; I28-Y31 PolarHBondContact O-N 2.97Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.14Å; Y31-Y34 PolarHBondContact O-N 3.34Å; Y31-Y34 VanDerWaalsContact O-N 3.17Å; Y31-T35 HydrophobicContact CD2-CG2 4.39Å; Y31-T35 HydrophobicContact CE1-CG2 4.42Å; Y31-T35 HydrophobicContact CE2-CG2 4Å; Y31-T35 PolarHBondContact O-N 2.64Å; Y31-T35 PolarHBondContact O-OG1 2.88Å
32Y57.7Low54.4Low169 Ų169119.7 Ų119.766%0.66364%0.638SS**Hα-helixtrans-67.1-31.9177.9-84.1-77.4000113.4I28 S29I28-Y32 HydrophobicContact CG2-CD2 3.85Å; I28-Y32 HydrophobicContact CG2-CE2 3.92Å; I28-Y32 WeakPolarHBondContact O-CD2 3.49Å; I28-Y32 PolarHBondContact O-N 3.07Å; S29-Y32 PolarHBondContact O-N 3.42Å
33L52.1Low52Low141 Ų141123.9 Ų123.974%0.73865%0.654SS**Hα-helixtrans-66.6-35.8172.1-86.2158.5000112.3S29 A30 Y31S29-L33 WeakPolarHBondContact O-CB 3.09Å; S29-L33 WeakPolarHBondContact O-CD1 3.38Å; S29-L33 WeakPolarHBondContact O-CG 3.37Å; S29-L33 PolarHBondContact O-N 3.43Å; A30-L33 PolarHBondContact O-N 3.17Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.14Å
34Y43.4Very low49.2Very low211 Ų211123.7 Ų123.783%0.82766%0.658SS**Hα-helixtrans-84.9-31.3-175.6-154-96.6000113.3A30 Y31A30-Y34 WeakPolarHBondContact O-CB 3.43Å; A30-Y34 PolarHBondContact O-N 3.29Å; Y31-Y34 PolarHBondContact O-N 3.34Å; Y31-Y34 VanDerWaalsContact O-N 3.17Å
35T41.1Very low46.5Very low84 Ų84129.6 Ų129.652%0.51568%0.676SS.*Hα-helixtrans-83.4-8.7179.850.60000114.4Y31 Y37Y31-T35 HydrophobicContact CD2-CG2 4.39Å; Y31-T35 HydrophobicContact CE1-CG2 4.42Å; Y31-T35 HydrophobicContact CE2-CG2 4Å; Y31-T35 PolarHBondContact O-N 2.64Å; Y31-T35 PolarHBondContact O-OG1 2.88Å; T35-Y37 PolarHBondContact O-N 2.82Å
36G41.1Very low44.3Very low63 Ų63132.7 Ų132.765%0.64969%0.693SS**THydrogen-bonded Turntrans-84.65.3-17500000116.8
37Y33Very low41.8Very low200 Ų200133.9 Ų133.978%0.78471%0.706SS**  trans-109.2102-172.5-136-94.4000112.4T35T35-Y37 PolarHBondContact O-N 2.82Å
38K29.7Very low39.4Very low198 Ų198135 Ų13586%0.86172%0.717SS**  trans172.191.1140.8-96172.1-173.3-175.10110.6
39Q27.9Very low37.3Very low190 Ų190139.5 Ų139.589%0.88874%0.736SS**  trans-142126.6146.6-98.2-175-10.700109
40P26.9Very low35.7Very low129 Ų129141 Ų14184%0.83875%0.752SS**  trans-74140.7179.228.1-30.5000111.7
41M28Very low33.7Very low165 Ų165147.1 Ų147.181%0.81377%0.772SS**  trans-63.2131.5179.1-124.2166.9165.700111.7
42T23.1Very low31.9Very low128 Ų128146.2 Ų146.279%0.78579%0.786SS**  trans-104.3114.8155.325.80000107.6V44T42-V44 PolarHBondContact O-N 2.94Å
43L24.9Very low30.5Very low163 Ų163147 Ų14785%0.85380%0.795SS**  trans-67.7115.5170.5-88.2152.5000108.1
44V24.5Very low29.5Very low118 Ų118146.3 Ų146.372%0.71579%0.793SS**  trans-93.899.9168.3-178.40000107.2T42 T46T42-V44 PolarHBondContact O-N 2.94Å; V44-T46 HydrophobicContact CG1-CG2 4.11Å; V44-T46 PolarHBondContact O-N 3.19Å
45E25Very low29.2Very low176 Ų176141.8 Ų141.882%0.82278%0.782SS**  trans-58.6118.9160.5-76.4178.1150.900108.2
46T26.6Very low29.1Very low128 Ų128145.6 Ų145.679%0.78579%0.792SS**  trans-110.367170.132.20000109V44V44-T46 HydrophobicContact CG1-CG2 4.11Å; V44-T46 PolarHBondContact O-N 3.19Å
47T29.2Very low29Very low137 Ų137148.7 Ų148.784%0.8479%0.793SS**  trans-87.495.5149.337.80000107
48G25.2Very low29.6Very low65 Ų65142.5 Ų142.567%0.6777%0.773SS**  trans-146.396.6173.500000108.4A50G48-A50 PolarHBondContact O-N 2.81Å
49E29.8Very low30Very low194 Ų194136.4 Ų136.491%0.90775%0.754SS**  trans-50.4112.7159.3-71.7178.1146.300107.2E51E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 3.43Å
50A27.1Very low30.8Very low98 Ų98133.1 Ų133.181%0.8173%0.734SS**  trans-71.595.7173.700000107.6G48 C52G48-A50 PolarHBondContact O-N 2.81Å; A50-C52 PolarHBondContact O-N 2.92Å
51E24.7Very low31.5Very low183 Ų183138 Ų13886%0.85574%0.736SS**  trans-52.3126.6165.1-72.8-174.3148.900109E49 E53E49-E51 VanDerWaalsContact C-N 3.33Å; E49-E51 PolarHBondContact O-N 3.43Å; E51-E53 PolarHBondContact O-N 2.86Å
52C30.1Very low32Very low131 Ų131136.3 Ų136.389%0.88574%0.74SS**  trans-6695.5171.8-84.50000109.1A50 D54A50-C52 PolarHBondContact O-N 2.92Å; C52-D54 PolarHBondContact O-N 2.97Å
53E27.9Very low32.9Very low184 Ų184136.1 Ų136.186%0.8674%0.739SS**  trans-70.7124.5156.7-82.5-165.2152.900109.5E51 L55E51-E53 PolarHBondContact O-N 2.86Å; E53-L55 PolarHBondContact O-N 3.16Å; E53-L55 VanDerWaalsContact O-N 3.07Å
54D30.8Very low33.7Very low128 Ų128137.1 Ų137.168%0.68474%0.739SS**  trans-64.898.7-176.6-145.615.3000109.4C52 K56C52-D54 PolarHBondContact O-N 2.97Å; D54-K56 PolarHBondContact O-N 2.78Å; D54-K56 WeakPolarHBondContact OD2-CE 3.4Å; D54-K56 IonicContact OD2-NZ 2.69Å
55L37.6Very low34.9Very low116 Ų116137.7 Ų137.761%0.60774%0.737SS**  trans-69.766.5176.3-92.6159.8000111.3E53 L57 V210E53-L55 PolarHBondContact O-N 3.16Å; E53-L55 VanDerWaalsContact O-N 3.07Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.08Å; L55-V210 HydrophobicContact CD1-CG2 4.14Å
56K37.1Very low36.4Very low163 Ų163135.7 Ų135.771%0.70973%0.726SS**  trans-85.872.3165.7-73.8-179.6-177.9161.50109.6D54D54-K56 PolarHBondContact O-N 2.78Å; D54-K56 WeakPolarHBondContact OD2-CE 3.4Å; D54-K56 IonicContact OD2-NZ 2.69Å
57L40.7Very low37.9Very low129 Ų129135.7 Ų135.768%0.67573%0.726SS**  trans-172.179.4163-97.9141.8000109.5L55L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.08Å
58L44.4Very low39.9Very low69 Ų69130.6 Ų130.636%0.36170%0.697SS.*  trans-104124.9153.5-74.8171.4000106.4Y60 L235 L253L58-Y60 PolarHBondContact O-N 2.98Å; L58-L235 HydrophobicContact CD2-CD1 3.92Å; L58-L253 HydrophobicContact CD2-CD1 3.81Å
59P39.5Very low42.4Very low71 Ų71133.9 Ų133.946%0.46169%0.693SS.*SBendtrans-74.410.7-170.627.9-33.8000114.6
60Y44.8Very low44.8Very low120 Ų120129.9 Ų129.947%0.47168%0.684SS.*  trans-96.1100.3177.2-74.5-88.7000109.7L58 F225 P232L58-Y60 PolarHBondContact O-N 2.98Å; Y60-F225 HydrophobicContact CE1-CE2 4.44Å; Y60-P232 HydrophobicContact CE2-CG 4.37Å
61R39.8Very low47.6Very low233 Ų233126.9 Ų126.988%0.87965%0.654SS**  trans-45.7140.9168.5-83.8179.3172.4173.6-2.4110T63R61-T63 PolarHBondContact O-N 2.93Å; R61-T63 PolarHBondContact O-OG1 2.84Å
62S38.4Very low50.6Low128 Ų128120.9 Ų120.990%0.89563%0.628SS**  trans-62.179.4173.965.20000111
63T42.3Very low53.2Low125 Ų125116 Ų11677%0.76760%0.595SS**  trans-72.9133.9167.15.90000108.5R61 L65R61-T63 PolarHBondContact O-N 2.93Å; R61-T63 PolarHBondContact O-OG1 2.84Å; T63-L65 PolarHBondContact O-N 2.7Å
64E41.8Very low56.1Low184 Ų184111.3 Ų111.386%0.8658%0.582SS**  trans-44.7127.5175.4-72.4177.7149.100111K66E64-K66 PolarHBondContact O-N 3.3Å
65L50.5Low59Low130 Ų130109.9 Ų109.968%0.68157%0.57SS**  trans-64.296.6176-118.2101.3000108.5T63 T67T63-L65 PolarHBondContact O-N 2.7Å; L65-T67 PolarHBondContact O-N 2.96Å
66K55.4Low61.7Low133 Ų133104.9 Ų104.958%0.57854%0.544SS*.PPolyproline II helixtrans-63.8123.5165.7-71.7-173.2-178.9-1800107.9E64 A68 L263E64-K66 PolarHBondContact O-N 3.3Å; K66-A68 PolarHBondContact O-N 2.93Å; K66-L263 HydrophobicContact CB-CD1 3.89Å; K66-L263 HydrophobicContact CD-CD1 4.26Å
67T59.6Low64.4Low129 Ų12999.3 Ų99.379%0.79152%0.522SS*.PPolyproline II helixtrans-75.9117.4-173.130.20000111.2L65L65-T67 PolarHBondContact O-N 2.96Å
68A70.2Confident67Low29 Ų2996.3 Ų96.324%0.2451%0.511CS..PPolyproline II helixtrans-62.4151.8168.600000110.5K66 L261K66-A68 PolarHBondContact O-N 2.93Å; A68-L261 HydrophobicContact CB-CB 4.18Å; A68-L261 HydrophobicContact CB-CD2 4.28Å
69K77.6Confident69.5Low135 Ų13594.5 Ų94.559%0.58750%0.502SS*.PPolyproline II helixtrans-60.7132.9172.6-171.7-178.5176.2-170.60109.2Q268K69-Q268 PolarHBondContact O-NE2 2.85Å
70P81.5Confident72.3Confident110 Ų11091.1 Ų91.171%0.71448%0.481SS*.PPolyproline II helixtrans-58.4141.2175.8-23.232.8000111.5D72P70-D72 PolarHBondContact O-N 2.93Å
71I85.8Confident74.8Confident35 Ų3585.4 Ų85.418%0.17946%0.458CS..PPolyproline II helixtrans-73.9124.2173.9-63.6161.2000108.4P73 F291 L292I71-P73 WeakPolarHBondContact O-CD 3.35Å; I71-F291 HydrophobicContact CD1-CD1 4.37Å; I71-F291 HydrophobicContact CD1-CE1 4.26Å; I71-F291 WeakPolarHBondContact CD1-O 3.25Å; I71-L292 HydrophobicContact CD1-CD2 4.36Å
72D86.8Confident77.6Confident56 Ų5674.3 Ų74.330%0.29942%0.416SS..  trans-106.397.4173.8175.914.1000110.3P70 S74P70-D72 PolarHBondContact O-N 2.93Å; D72-S74 VanDerWaalsContact C-N 3.25Å; D72-S74 PolarHBondContact O-N 3.09Å; D72-S74 VanDerWaalsContact OD1-CB 3.22Å; D72-S74 WeakPolarHBondContact OD1-CB 3.28Å; D72-S74 PolarHBondContact OD1-N 3.11Å; D72-S74 PolarHBondContact OD1-OG 3.06Å; D72-S74 PolarHBondContact OD2-OG 3.44Å
73P85.8Confident80.4Confident29 Ų2968.3 Ų68.319%0.18837%0.374CS..G310 helixtrans-82.84.5-178.834.8-36.6000113.5I71 K75 T76 M129 K296I71-P73 WeakPolarHBondContact O-CD 3.35Å; P73-K75 VanDerWaalsContact C-N 3.3Å; P73-K75 PolarHBondContact O-N 3.18Å; P73-T76 PolarHBondContact O-OG1 3.06Å; P73-M129 HydrophobicContact CB-CE 3.69Å; P73-K296 HydrophobicContact CB-CG 3.86Å; P73-K296 HydrophobicContact CG-CG 3.95Å
74S88.6Confident83Confident86 Ų8662.4 Ų62.460%0.60134%0.338SS*.G310 helixtrans-72.1-21.9-172.167.80000114.1D72D72-S74 VanDerWaalsContact C-N 3.25Å; D72-S74 PolarHBondContact O-N 3.09Å; D72-S74 VanDerWaalsContact OD1-CB 3.22Å; D72-S74 WeakPolarHBondContact OD1-CB 3.28Å; D72-S74 PolarHBondContact OD1-N 3.11Å; D72-S74 PolarHBondContact OD1-OG 3.06Å; D72-S74 PolarHBondContact OD2-OG 3.44Å
75K90.9Very high85.4Confident97 Ų9758 Ų5842%0.42232%0.317SS..G310 helixtrans-93.3-1.8-173.4-56.8-174.7-174.8-179.80114.4P73 K125 G126 Y157P73-K75 VanDerWaalsContact C-N 3.3Å; P73-K75 PolarHBondContact O-N 3.18Å; K75-K125 WeakPolarHBondContact O-CG 3.41Å; K75-G126 PolarHBondContact O-N 2.89Å; K75-Y157 HydrophobicContact CB-CD1 3.79Å; K75-Y157 HydrophobicContact CB-CE1 4.41Å
76T94.1Very high87.4Confident11 Ų1154.2 Ų54.27%0.06730%0.301CS..BIsolated β-bridgetrans-125.2152.4-171.455.20000112.4P73 G126 Y128 M129 Y157 V159P73-T76 PolarHBondContact O-OG1 3.06Å; T76-G126 CarbonylContact C-O 3.58Å; T76-G126 WeakPolarHBondContact CA-O 3.29Å; T76-Y128 WeakPolarHBondContact CG2-O 3.34Å; T76-M129 VanDerWaalsContact OG1-CB 3.31Å; T76-M129 WeakPolarHBondContact OG1-CB 3.34Å; T76-Y157 HydrophobicContact CG2-CD1 4.41Å; T76-V159 HydrophobicContact CG2-CG2 3.75Å
77D93.4Very high89.1Confident47 Ų4753 Ų5325%0.25130%0.298SS..  trans-72.2148164.1-67.8-35.7000111T79 K125 G126 M129D77-T79 PolarHBondContact O-N 2.83Å; D77-K125 WeakPolarHBondContact OD1-CE 3.08Å; D77-K125 IonicContact OD1-NZ 2.8Å; D77-K125 PolarHBondContact OD1-NZ 2.84Å; D77-G126 PolarHBondContact N-O 2.77Å; D77-M129 PolarHBondContact O-N 3.44Å
78P95.4Very high90.7Very high66 Ų6655.9 Ų55.943%0.42930%0.295SS..SBendtrans-77.154.9-179.734.7-37.1000111.9P105 M129 L297P78-P105 WeakPolarHBondContact O-CD 3.39Å; P78-M129 HydrophobicContact CB-SD 4.14Å; P78-L297 HydrophobicContact CB-CD2 4.22Å
79T97.1Very high91.9Very high31 Ų3155.3 Ų55.319%0.1929%0.29CS..  trans-121.4139.9-177.5-49.80000109.9D77 P105 K127 Y128 M129D77-T79 PolarHBondContact O-N 2.83Å; T79-P105 WeakPolarHBondContact CA-O 3.22Å; T79-P105 HydrophobicContact CG2-CB 4.27Å; T79-K127 WeakPolarHBondContact CB-O 3.4Å; T79-Y128 HydrophobicContact CG2-CD1 3.95Å; T79-Y128 HydrophobicContact CG2-CE1 4.22Å; T79-Y128 CarbonylContact O-C 3.58Å; T79-Y128 VanDerWaalsContact O-CA 3.24Å; T79-Y128 WeakPolarHBondContact O-CA 3.39Å; T79-M129 PolarHBondContact O-N 3.4Å
80V98.4Very high92.8Very high0 Ų055.3 Ų55.30%029%0.292CS..EExtended strand (participates in β ladder)trans-93.2130175178.50000110L99 P105 Y106 H107 I132 L297V80-L99 HydrophobicContact CB-CD1 4.46Å; V80-L99 HydrophobicContact CG1-CD1 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.24Å; V80-P105 PolarHBondContact N-O 3.01Å; V80-Y106 CarbonylContact O-C 3.22Å; V80-Y106 VanDerWaalsContact O-CA 3.22Å; V80-Y106 WeakPolarHBondContact O-CA 3.29Å; V80-H107 PolarHBondContact O-N 3.43Å; V80-I132 HydrophobicContact CG1-CB 4.45Å; V80-I132 HydrophobicContact CG1-CD1 3.49Å; V80-I132 VanDerWaalsContact CG1-CD1 3.49Å; V80-I132 HydrophobicContact CG1-CG1 3.64Å; V80-L297 HydrophobicContact CG2-CD1 3.66Å
81L98.2Very high93.5Very high0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-92.3115.1166.9179.159.3000109.1F83 V109 P118 L120 Y128 I130 V131 I132L81-F83 HydrophobicContact CD2-CD2 4.49Å; L81-F83 HydrophobicContact CD2-CE2 3.54Å; L81-F83 HydrophobicContact CD2-CZ 3.76Å; L81-F83 HydrophobicContact CG-CD2 4.29Å; L81-F83 HydrophobicContact CG-CE2 3.79Å; L81-F83 HydrophobicContact CG-CZ 4.16Å; L81-V109 HydrophobicContact CD1-CG2 4.1Å; L81-P118 HydrophobicContact CD1-CG 3.91Å; L81-P118 HydrophobicContact CD2-CG 4.3Å; L81-L120 HydrophobicContact CD2-CD2 4.01Å; L81-Y128 HydrophobicContact CB-CD1 3.74Å; L81-Y128 HydrophobicContact CB-CD2 4.01Å; L81-Y128 HydrophobicContact CB-CE1 4.23Å; L81-Y128 HydrophobicContact CB-CE2 4.46Å; L81-Y128 HydrophobicContact CB-CG 3.63Å; L81-Y128 HydrophobicContact CD1-CE1 4.24Å; L81-Y128 HydrophobicContact CD1-CE2 4.32Å; L81-Y128 HydrophobicContact CD2-CD2 3.95Å; L81-Y128 HydrophobicContact CD2-CE2 4.06Å; L81-Y128 HydrophobicContact CD2-CG 4.43Å; L81-Y128 HydrophobicContact CG-CD2 4.44Å; L81-I130 PolarHBondContact N-O 3.19Å; L81-V131 HydrophobicContact CB-CG2 4.33Å; L81-V131 HydrophobicContact CD2-CG1 4.46Å; L81-V131 HydrophobicContact CD2-CG2 4.38Å; L81-V131 CarbonylContact O-C 3.58Å; L81-V131 WeakPolarHBondContact O-CA 3.27Å; L81-I132 PolarHBondContact O-N 2.9Å
82L98Very high94Very high0 Ų049.4 Ų49.40%026%0.255CS..EExtended strand (participates in β ladder)trans-109116.5-178.3173.662.3000110.6V84 I95 V96 H107 M108 V109 I132L82-V84 HydrophobicContact CD1-CG1 4.32Å; L82-V84 HydrophobicContact CD2-CG1 4.03Å; L82-V84 HydrophobicContact CG-CG1 3.86Å; L82-I95 HydrophobicContact CD1-CD1 4.1Å; L82-I95 HydrophobicContact CD1-CG2 3.92Å; L82-I95 HydrophobicContact CD2-CB 4.33Å; L82-I95 HydrophobicContact CD2-CG2 3.84Å; L82-V96 HydrophobicContact CD2-CG2 3.67Å; L82-H107 PolarHBondContact N-O 2.59Å; L82-M108 HydrophobicContact CD2-CG 4.48Å; L82-M108 CarbonylContact O-C 3.57Å; L82-M108 WeakPolarHBondContact O-CA 3.29Å; L82-V109 PolarHBondContact O-N 3.12Å; L82-I132 HydrophobicContact CD1-CB 3.8Å; L82-I132 HydrophobicContact CD1-CG2 3.71Å
83F97.2Very high94.5Very high2 Ų249.7 Ų49.71%0.00925%0.254CS..EExtended strand (participates in β ladder)trans-93.1118.6171.7-73.3-72.9000111.1L81 V109 A111 I117 V131 I132 Y133 E134L81-F83 HydrophobicContact CD2-CD2 4.49Å; L81-F83 HydrophobicContact CD2-CE2 3.54Å; L81-F83 HydrophobicContact CD2-CZ 3.76Å; L81-F83 HydrophobicContact CG-CD2 4.29Å; L81-F83 HydrophobicContact CG-CE2 3.79Å; L81-F83 HydrophobicContact CG-CZ 4.16Å; F83-V109 WeakPolarHBondContact CA-O 3.41Å; F83-V109 HydrophobicContact CD1-CB 4.36Å; F83-V109 HydrophobicContact CE1-CB 4.37Å; F83-V109 HydrophobicContact CE1-CG1 4.36Å; F83-A111 HydrophobicContact CB-CB 4.24Å; F83-A111 HydrophobicContact CD1-CB 4.34Å; F83-I117 HydrophobicContact CZ-CG2 4.45Å; F83-V131 HydrophobicContact CD2-CG1 3.73Å; F83-V131 HydrophobicContact CE2-CG1 3.73Å; F83-I132 PolarHBondContact N-O 2.81Å; F83-Y133 HydrophobicContact CB-CD1 3.59Å; F83-Y133 HydrophobicContact CB-CE1 3.68Å; F83-Y133 HydrophobicContact CB-CG 4.29Å; F83-Y133 HydrophobicContact CD1-CE1 4.48Å; F83-Y133 HydrophobicContact CD2-CD1 4.05Å; F83-Y133 HydrophobicContact CD2-CD2 4.49Å; F83-Y133 AromaticContact CD2-CE1 3.42Å; F83-Y133 HydrophobicContact CD2-CE1 3.42Å; F83-Y133 VanDerWaalsContact CD2-CE1 3.42Å; F83-Y133 AromaticContact CD2-CE2 3.95Å; F83-Y133 HydrophobicContact CD2-CE2 3.95Å; F83-Y133 AromaticContact CD2-CZ 3.36Å; F83-Y133 HydrophobicContact CE2-CE1 4.14Å; F83-Y133 HydrophobicContact CE2-CE2 4.41Å; F83-Y133 AromaticContact CE2-CZ 3.74Å; F83-Y133 WeakPolarHBondContact CE2-OH 3.43Å; F83-Y133 HydrophobicContact CG-CD1 4.07Å; F83-Y133 AromaticContact CG-CE1 3.61Å; F83-Y133 HydrophobicContact CG-CE1 3.61Å; F83-E134 PolarHBondContact O-N 2.91Å
84V96.3Very high94.9Very high1 Ų150.2 Ų50.21%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-113.4154.7177.9-60.50000111.6L82 S86 M108 V109 I110 A111 E134L82-V84 HydrophobicContact CD1-CG1 4.32Å; L82-V84 HydrophobicContact CD2-CG1 4.03Å; L82-V84 HydrophobicContact CG-CG1 3.86Å; V84-S86 VanDerWaalsContact CG2-O 3.23Å; V84-S86 WeakPolarHBondContact CG2-O 3.36Å; V84-M108 HydrophobicContact CG1-CG 4.05Å; V84-M108 HydrophobicContact CG1-SD 4.17Å; V84-M108 HydrophobicContact CG2-CG 3.88Å; V84-M108 HydrophobicContact CG2-SD 4.18Å; V84-V109 PolarHBondContact N-O 3.25Å; V84-I110 HydrophobicContact CG2-CG1 4.29Å; V84-I110 CarbonylContact O-C 3.5Å; V84-I110 VanDerWaalsContact O-CA 3.27Å; V84-I110 WeakPolarHBondContact O-CA 3.41Å; V84-A111 PolarHBondContact O-N 3.01Å; V84-E134 VanDerWaalsContact CA-CD 3.45Å; V84-E134 WeakPolarHBondContact CA-OE2 3.39Å; V84-E134 VanDerWaalsContact CB-OE2 3.3Å; V84-E134 WeakPolarHBondContact CB-OE2 3.31Å; V84-E134 WeakPolarHBondContact CG1-OE2 3.26Å
85E92.8Very high95.4Very high91 Ų9146.1 Ų46.143%0.42523%0.227SC..SBendtrans-78-28.3174.9-62.8-169.5133.400111.7E134 N135 K138E85-E134 WeakPolarHBondContact CA-OE1 3.34Å; E85-E134 WeakPolarHBondContact CB-OE1 3.42Å; E85-E134 HydrophobicContact CG-CG 4.09Å; E85-E134 WeakPolarHBondContact CG-OE1 3.49Å; E85-E134 PolarHBondContact N-OE1 2.83Å; E85-N135 HydrophobicContact CG-CB 4.21Å; E85-N135 PolarHBondContact OE1-ND2 3.41Å; E85-K138 VanDerWaalsContact OE1-CE 3.29Å; E85-K138 WeakPolarHBondContact OE1-CE 3.28Å
86S93.5Very high95.7Very high50 Ų5041.6 Ų41.635%0.3521%0.207SC..SBendtrans-152.7165.1172.775.20000111V84 Y88 S89V84-S86 VanDerWaalsContact CG2-O 3.23Å; V84-S86 WeakPolarHBondContact CG2-O 3.36Å; S86-Y88 PolarHBondContact O-N 3.48Å; S86-Y88 VanDerWaalsContact O-N 3.08Å; S86-Y88 PolarHBondContact OG-N 3.42Å; S86-S89 PolarHBondContact O-N 3.35Å; S86-S89 PolarHBondContact O-OG 2.95Å; S86-S89 PolarHBondContact OG-N 3.49Å; S86-S89 VanDerWaalsContact OG-N 3.12Å
87Q90.8Very high95.8Very high107 Ų10742.3 Ų42.350%0.521%0.214SC..THydrogen-bonded Turntrans-59.7-18.4174.7-81.3172.41.300113.9Q93 I110Q87-Q93 PolarHBondContact O-NE2 3Å; Q87-I110 HydrophobicContact CG-CD1 4.11Å; Q87-I110 HydrophobicContact CG-CG1 4.44Å
88Y93.5Very high95.9Very high190 Ų19040.6 Ų40.675%0.74521%0.205SC*.THydrogen-bonded Turntrans-125.716.9-171-51.2-69.7000112.8S86 Q90S86-Y88 PolarHBondContact O-N 3.48Å; S86-Y88 VanDerWaalsContact O-N 3.08Å; S86-Y88 PolarHBondContact OG-N 3.42Å; Y88-Q90 PolarHBondContact O-N 2.97Å
89S94.9Very high96Very high18 Ų1837.4 Ų37.413%0.12618%0.184CC..  trans-60.6133.3175.454.10000109.9S86 L91 G92 Q93 E134S86-S89 PolarHBondContact O-N 3.35Å; S86-S89 PolarHBondContact O-OG 2.95Å; S86-S89 PolarHBondContact OG-N 3.49Å; S86-S89 VanDerWaalsContact OG-N 3.12Å; S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.41Å; S89-G92 PolarHBondContact O-N 2.88Å; S89-G92 PolarHBondContact OG-N 3.49Å; S89-Q93 WeakPolarHBondContact O-CG 3.39Å; S89-Q93 PolarHBondContact O-N 3.47Å; S89-E134 WeakPolarHBondContact CB-OE1 3.48Å; S89-E134 WeakPolarHBondContact CB-OE2 3.27Å; S89-E134 VanDerWaalsContact OG-CD 3.26Å; S89-E134 PolarHBondContact OG-OE1 3.3Å; S89-E134 PolarHBondContact OG-OE2 2.89Å
90Q95.3Very high95.9Very high135 Ų13537.7 Ų37.763%0.63118%0.183SC*.Hα-helixtrans-57.8-47.3-176.8-177.162.353.400111.7Y88 Q93 D94Y88-Q90 PolarHBondContact O-N 2.97Å; Q90-Q93 PolarHBondContact O-N 3.48Å; Q90-D94 PolarHBondContact NE2-OD1 3.02Å; Q90-D94 PolarHBondContact O-N 2.88Å
91L96.4Very high95.7Very high20 Ų2038.6 Ų38.611%0.10519%0.19CC..Hα-helixtrans-66.1-41.1179.2175.957.8000112.1S89 Q93 D94 I95 E134 F164 N275 L276S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.41Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.24Å; L91-D94 PolarHBondContact O-N 3.48Å; L91-I95 HydrophobicContact CD1-CD1 3.99Å; L91-I95 HydrophobicContact CD1-CG1 4.08Å; L91-I95 HydrophobicContact CG-CD1 3.95Å; L91-I95 HydrophobicContact CG-CG1 4.49Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.19Å; L91-I95 PolarHBondContact O-N 2.9Å; L91-E134 HydrophobicContact CD2-CB 4.15Å; L91-E134 WeakPolarHBondContact CD2-O 3.42Å; L91-E134 HydrophobicContact CG-CB 4.23Å; L91-F164 HydrophobicContact CD1-CD1 4.26Å; L91-F164 HydrophobicContact CD1-CE1 4.31Å; L91-F164 HydrophobicContact CD2-CB 3.66Å; L91-F164 HydrophobicContact CD2-CD1 4.05Å; L91-F164 HydrophobicContact CD2-CD2 4.38Å; L91-F164 HydrophobicContact CD2-CG 3.79Å; L91-N275 HydrophobicContact CD1-CB 4.03Å; L91-N275 HydrophobicContact CD2-CB 4.26Å; L91-L276 HydrophobicContact CD1-CB 4.23Å; L91-L276 HydrophobicContact CD1-CD1 4.01Å; L91-L276 HydrophobicContact CD1-CG 3.78Å
92G96.9Very high95.5Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-57.6-45174.300000111.6S89 I95 V96 E134S89-G92 PolarHBondContact O-N 2.88Å; S89-G92 PolarHBondContact OG-N 3.49Å; G92-I95 PolarHBondContact O-N 3.11Å; G92-V96 WeakPolarHBondContact O-CB 3.12Å; G92-V96 VanDerWaalsContact O-CG2 3.3Å; G92-V96 WeakPolarHBondContact O-CG2 3.3Å; G92-V96 PolarHBondContact O-N 3.18Å; G92-E134 WeakPolarHBondContact CA-OE2 3.39Å; G92-E134 PolarHBondContact N-OE2 3.47Å
93Q96.4Very high95.3Very high63 Ų6342.9 Ų42.929%0.29421%0.207SC..Hα-helixtrans-67.8-36.4176.4-67.2-60.4-41.700113.1Q87 S89 Q90 L91 V96 A97Q87-Q93 PolarHBondContact O-NE2 3Å; S89-Q93 WeakPolarHBondContact O-CG 3.39Å; S89-Q93 PolarHBondContact O-N 3.47Å; Q90-Q93 PolarHBondContact O-N 3.48Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 PolarHBondContact O-N 3.24Å; Q93-V96 PolarHBondContact O-N 3.34Å; Q93-A97 WeakPolarHBondContact O-CB 3.42Å; Q93-A97 PolarHBondContact O-N 3.38Å
94D96.1Very high95.2Very high40 Ų4043.5 Ų43.521%0.21421%0.21CC..Hα-helixtrans-64.4-42174.1-66.9-20.4000111.2Q90 L91 A97 I98 L276Q90-D94 PolarHBondContact NE2-OD1 3.02Å; Q90-D94 PolarHBondContact O-N 2.88Å; L91-D94 PolarHBondContact O-N 3.48Å; D94-A97 PolarHBondContact O-N 3Å; D94-I98 PolarHBondContact O-N 3.48Å; D94-I98 VanDerWaalsContact O-N 3.15Å; D94-L276 HydrophobicContact CB-CB 4.44Å; D94-L276 HydrophobicContact CB-CD1 4.27Å
95I98Very high95.2Very high0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-63-49.3174.8-68.4163.5000109.9L82 L91 G92 A97 I98 L99 I132 E134 F164 L276 F285L82-I95 HydrophobicContact CD1-CD1 4.1Å; L82-I95 HydrophobicContact CD1-CG2 3.92Å; L82-I95 HydrophobicContact CD2-CB 4.33Å; L82-I95 HydrophobicContact CD2-CG2 3.84Å; L91-I95 HydrophobicContact CD1-CD1 3.99Å; L91-I95 HydrophobicContact CD1-CG1 4.08Å; L91-I95 HydrophobicContact CG-CD1 3.95Å; L91-I95 HydrophobicContact CG-CG1 4.49Å; L91-I95 VanDerWaalsContact O-CG1 3.29Å; L91-I95 WeakPolarHBondContact O-CG1 3.19Å; L91-I95 PolarHBondContact O-N 2.9Å; G92-I95 PolarHBondContact O-N 3.11Å; I95-A97 VanDerWaalsContact C-N 3.3Å; I95-A97 PolarHBondContact O-N 2.97Å; I95-I98 PolarHBondContact O-N 2.67Å; I95-L99 HydrophobicContact CG2-CD1 3.81Å; I95-L99 HydrophobicContact CG2-CG 4.25Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 3.03Å; I95-I132 HydrophobicContact CD1-CG2 4.11Å; I95-I132 HydrophobicContact CG2-CD1 4.44Å; I95-E134 HydrophobicContact CD1-CB 4.4Å; I95-F164 HydrophobicContact CD1-CD2 4.04Å; I95-F164 HydrophobicContact CD1-CE2 3.72Å; I95-F164 HydrophobicContact CD1-CZ 4.39Å; I95-F164 HydrophobicContact CG1-CE2 4.27Å; I95-L276 HydrophobicContact CG1-CD1 3.73Å; I95-F285 HydrophobicContact CB-CZ 4.5Å; I95-F285 HydrophobicContact CG1-CZ 4.2Å; I95-F285 HydrophobicContact CG2-CE1 4.36Å; I95-F285 HydrophobicContact CG2-CZ 3.82Å
96V97.1Very high95.5Very high2 Ų245.7 Ų45.71%0.01222%0.223CC..Hα-helixtrans-55.7-45.5176.6165.10000110.9L82 G92 Q93 I98 L99 E100 Y106 M108L82-V96 HydrophobicContact CD2-CG2 3.67Å; G92-V96 WeakPolarHBondContact O-CB 3.12Å; G92-V96 VanDerWaalsContact O-CG2 3.3Å; G92-V96 WeakPolarHBondContact O-CG2 3.3Å; G92-V96 PolarHBondContact O-N 3.18Å; Q93-V96 PolarHBondContact O-N 3.34Å; V96-I98 VanDerWaalsContact C-N 3.33Å; V96-I98 PolarHBondContact O-N 2.96Å; V96-L99 PolarHBondContact O-N 3.33Å; V96-E100 VanDerWaalsContact CG1-CD 3.49Å; V96-E100 HydrophobicContact CG1-CG 4.06Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.45Å; V96-E100 WeakPolarHBondContact O-CB 3.5Å; V96-E100 VanDerWaalsContact O-CG 3.3Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 2.91Å; V96-Y106 HydrophobicContact CG1-CE1 4.37Å; V96-Y106 HydrophobicContact CG1-CE2 4.24Å; V96-Y106 VanDerWaalsContact CG1-OH 3.28Å; V96-Y106 WeakPolarHBondContact CG1-OH 3.39Å; V96-Y106 HydrophobicContact CG2-CD2 4.45Å; V96-Y106 HydrophobicContact CG2-CE2 3.87Å; V96-M108 HydrophobicContact CG2-SD 4.04Å
97A95.8Very high95.6Very high26 Ų2647 Ų4722%0.21522%0.223CC..Hα-helixtrans-59.8-41.517900000112.4Q93 D94 I95 S101Q93-A97 WeakPolarHBondContact O-CB 3.42Å; Q93-A97 PolarHBondContact O-N 3.38Å; D94-A97 PolarHBondContact O-N 3Å; I95-A97 VanDerWaalsContact C-N 3.3Å; I95-A97 PolarHBondContact O-N 2.97Å; A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 3.47Å; A97-S101 PolarHBondContact O-OG 3.46Å; A97-S101 VanDerWaalsContact O-OG 3.11Å
98I96.8Very high95.9Very high10 Ų1045 Ų455%0.05122%0.215CC..Hα-helixtrans-66.3-43.6175.8-68.9176.5000111.4D94 I95 V96 S102 L276 K282 F285 I286 L511D94-I98 PolarHBondContact O-N 3.48Å; D94-I98 VanDerWaalsContact O-N 3.15Å; I95-I98 PolarHBondContact O-N 2.67Å; V96-I98 VanDerWaalsContact C-N 3.33Å; V96-I98 PolarHBondContact O-N 2.96Å; I98-S102 VanDerWaalsContact O-CB 3.27Å; I98-S102 WeakPolarHBondContact O-CB 3.48Å; I98-S102 PolarHBondContact O-N 2.75Å; I98-S102 PolarHBondContact O-OG 2.86Å; I98-L276 HydrophobicContact CD1-CD1 3.86Å; I98-K282 HydrophobicContact CD1-CB 4.45Å; I98-K282 HydrophobicContact CD1-CG 4.49Å; I98-F285 HydrophobicContact CB-CE1 4.28Å; I98-F285 HydrophobicContact CD1-CD1 3.88Å; I98-F285 HydrophobicContact CD1-CE1 4.21Å; I98-F285 HydrophobicContact CG2-CD1 4.11Å; I98-F285 HydrophobicContact CG2-CE1 3.95Å; I98-I286 HydrophobicContact CG2-CG1 4.07Å; I98-L511 HydrophobicContact CG1-CD1 4.4Å; I98-L511 HydrophobicContact CG2-CD2 4.04Å
99L97.1Very high95.9Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-63.9-43.8178.7-66174.8000111.2V80 I95 V96 S102 R103 F104 Y106 I289V80-L99 HydrophobicContact CB-CD1 4.46Å; V80-L99 HydrophobicContact CG1-CD1 4.21Å; V80-L99 HydrophobicContact CG2-CD2 4.24Å; I95-L99 HydrophobicContact CG2-CD1 3.81Å; I95-L99 HydrophobicContact CG2-CG 4.25Å; I95-L99 WeakPolarHBondContact O-CG 3.42Å; I95-L99 PolarHBondContact O-N 3.03Å; V96-L99 PolarHBondContact O-N 3.33Å; L99-S102 CarbonylContact O-C 3.53Å; L99-S102 PolarHBondContact O-N 3.02Å; L99-R103 PolarHBondContact O-N 2.78Å; L99-F104 HydrophobicContact CD2-CB 4.01Å; L99-F104 HydrophobicContact CD2-CD2 4.09Å; L99-F104 PolarHBondContact O-N 3.27Å; L99-Y106 HydrophobicContact CB-CD1 4.12Å; L99-Y106 HydrophobicContact CD1-CG 4.16Å; L99-I289 HydrophobicContact CD2-CD1 3.85Å
100E95Very high95.9Very high36 Ų3640.6 Ų40.617%0.16820%0.203CC..Hα-helixtrans-63.8-48.8176.8-73.8177.2166.400112.2V96 S102 R103 Y106 R459 Y460V96-E100 VanDerWaalsContact CG1-CD 3.49Å; V96-E100 HydrophobicContact CG1-CG 4.06Å; V96-E100 WeakPolarHBondContact CG1-OE1 3.45Å; V96-E100 WeakPolarHBondContact O-CB 3.5Å; V96-E100 VanDerWaalsContact O-CG 3.3Å; V96-E100 WeakPolarHBondContact O-CG 3.33Å; V96-E100 PolarHBondContact O-N 2.91Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 2.81Å; E100-R103 PolarHBondContact O-N 3.07Å; E100-Y106 HydrophobicContact CG-CE1 3.65Å; E100-Y106 PolarHBondContact OE1-OH 2.98Å; E100-R459 WeakPolarHBondContact OE2-CD 3.43Å; E100-R459 IonicContact OE2-CZ 3.35Å; E100-R459 IonicContact OE2-NE 3.55Å; E100-R459 PolarHBondContact OE2-NE 2.75Å; E100-R459 IonicContact OE2-NH2 2.78Å; E100-Y460 HydrophobicContact CG-CE1 4.45Å; E100-Y460 PolarHBondContact OE1-OH 2.81Å; E100-Y460 WeakPolarHBondContact OE2-CE1 3.21Å; E100-Y460 PolarHBondContact OE2-OH 2.96Å
101S93.8Very high95.4Very high20 Ų2034.8 Ų34.814%0.1418%0.178CC..Hα-helixtrans-61.1-37176.6-70.10000112.4A97 R103 R459A97-S101 WeakPolarHBondContact O-CB 3.49Å; A97-S101 PolarHBondContact O-N 3.47Å; A97-S101 PolarHBondContact O-OG 3.46Å; A97-S101 VanDerWaalsContact O-OG 3.11Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 2.93Å; S101-R459 WeakPolarHBondContact OG-CB 3.21Å
102S94.5Very high94.5Very high4 Ų435.7 Ų35.73%0.02819%0.185CC..THydrogen-bonded Turntrans-80.8-5.6176.9-51.20000113.3I98 L99 E100 F104I98-S102 VanDerWaalsContact O-CB 3.27Å; I98-S102 WeakPolarHBondContact O-CB 3.48Å; I98-S102 PolarHBondContact O-N 2.75Å; I98-S102 PolarHBondContact O-OG 2.86Å; L99-S102 CarbonylContact O-C 3.53Å; L99-S102 PolarHBondContact O-N 3.02Å; E100-S102 VanDerWaalsContact C-N 3.27Å; E100-S102 PolarHBondContact O-N 2.81Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 VanDerWaalsContact O-CD1 3.23Å; S102-F104 WeakPolarHBondContact O-CD1 3.18Å; S102-F104 WeakPolarHBondContact O-CE1 3.45Å; S102-F104 PolarHBondContact O-N 2.93Å
103R93.1Very high93Very high85 Ų8540.2 Ų40.232%0.32122%0.222SC..THydrogen-bonded Turntrans57.536.2-175.3-50.7178.7-178.2-153.33.1113.3L99 E100 S101 P105 Y561 E567 Q568L99-R103 PolarHBondContact O-N 2.78Å; E100-R103 PolarHBondContact O-N 3.07Å; S101-R103 VanDerWaalsContact C-N 3.26Å; S101-R103 PolarHBondContact O-N 2.93Å; R103-P105 WeakPolarHBondContact O-CD 3.49Å; R103-Y561 PolarHBondContact NH2-OH 3.05Å; R103-E567 IonicContact NH1-OE1 3.97Å; R103-E567 PolarHBondContact NH1-OE1 3.18Å; R103-E567 VanDerWaalsContact NH1-OE1 3.15Å; R103-Q568 VanDerWaalsContact CZ-NE2 3.26Å; R103-Q568 VanDerWaalsContact NH1-OE1 3.15Å
104F95.7Very high91.4Very high16 Ų1646.5 Ų46.57%0.0725%0.249CC..  trans-88.3119.3175.6-63.4-14.9000109.3L99 S102 Y106 I289 L297 L299L99-F104 HydrophobicContact CD2-CB 4.01Å; L99-F104 HydrophobicContact CD2-CD2 4.09Å; L99-F104 PolarHBondContact O-N 3.27Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 VanDerWaalsContact O-CD1 3.23Å; S102-F104 WeakPolarHBondContact O-CD1 3.18Å; S102-F104 WeakPolarHBondContact O-CE1 3.45Å; S102-F104 PolarHBondContact O-N 2.93Å; F104-Y106 PolarHBondContact O-N 3.04Å; F104-I289 HydrophobicContact CD2-CG2 3.98Å; F104-I289 HydrophobicContact CE2-CG2 3.82Å; F104-L297 HydrophobicContact CB-CD2 4.23Å; F104-L297 HydrophobicContact CD1-CB 4.31Å; F104-L297 HydrophobicContact CD1-CD2 4Å; F104-L297 HydrophobicContact CD2-CB 4.21Å; F104-L297 HydrophobicContact CE1-CB 4.31Å; F104-L297 HydrophobicContact CE2-CB 4.19Å; F104-L297 HydrophobicContact CG-CB 4.28Å; F104-L297 HydrophobicContact CG-CD2 4.11Å; F104-L297 VanDerWaalsContact CZ-C 3.46Å; F104-L297 HydrophobicContact CZ-CB 4.24Å; F104-L299 HydrophobicContact CE1-CD2 4.32Å; F104-L299 HydrophobicContact CZ-CG 4.34Å
105P96.6Very high90.1Very high65 Ų6546.5 Ų46.542%0.42226%0.258SS..  trans-58.1136.5177.6-2333.1000110.9P78 T79 V80 R103P78-P105 WeakPolarHBondContact O-CD 3.39Å; T79-P105 WeakPolarHBondContact CA-O 3.22Å; T79-P105 HydrophobicContact CG2-CB 4.27Å; V80-P105 PolarHBondContact N-O 3.01Å; R103-P105 WeakPolarHBondContact O-CD 3.49Å
106Y97.6Very high89.2Confident72 Ų7253.5 Ų53.528%0.28230%0.296SS..EExtended strand (participates in β ladder)trans-142.7154.6179.773.4-86.4000111.7V80 V96 L99 E100 F104 M108V80-Y106 CarbonylContact O-C 3.22Å; V80-Y106 VanDerWaalsContact O-CA 3.22Å; V80-Y106 WeakPolarHBondContact O-CA 3.29Å; V96-Y106 HydrophobicContact CG1-CE1 4.37Å; V96-Y106 HydrophobicContact CG1-CE2 4.24Å; V96-Y106 VanDerWaalsContact CG1-OH 3.28Å; V96-Y106 WeakPolarHBondContact CG1-OH 3.39Å; V96-Y106 HydrophobicContact CG2-CD2 4.45Å; V96-Y106 HydrophobicContact CG2-CE2 3.87Å; L99-Y106 HydrophobicContact CB-CD1 4.12Å; L99-Y106 HydrophobicContact CD1-CG 4.16Å; E100-Y106 HydrophobicContact CG-CE1 3.65Å; E100-Y106 PolarHBondContact OE1-OH 2.98Å; F104-Y106 PolarHBondContact O-N 3.04Å; Y106-M108 HydrophobicContact CD2-CB 4.13Å; Y106-M108 HydrophobicContact CE2-CB 4.04Å
107H96.9Very high88.9Confident78 Ų7854.1 Ų54.136%0.36130%0.299SS..EExtended strand (participates in β ladder)trans-124.6111.2169.8-178.3-159.3000107.9V80 L82 Y128V80-H107 PolarHBondContact O-N 3.43Å; L82-H107 PolarHBondContact N-O 2.59Å; H107-Y128 HydrophobicContact CB-CE1 3.72Å; H107-Y128 AromaticContact ND1-CE1 3.82Å; H107-Y128 AromaticContact ND1-CZ 3.64Å; H107-Y128 PolarHBondContact ND1-OH 3.4Å
108M95.9Very high88.7Confident65 Ų6553.8 Ų53.832%0.3229%0.294SS..EExtended strand (participates in β ladder)trans-91.5130.3179.4175178.747.600110.2L82 V84 V96 Y106L82-M108 HydrophobicContact CD2-CG 4.48Å; L82-M108 CarbonylContact O-C 3.57Å; L82-M108 WeakPolarHBondContact O-CA 3.29Å; V84-M108 HydrophobicContact CG1-CG 4.05Å; V84-M108 HydrophobicContact CG1-SD 4.17Å; V84-M108 HydrophobicContact CG2-CG 3.88Å; V84-M108 HydrophobicContact CG2-SD 4.18Å; V96-M108 HydrophobicContact CG2-SD 4.04Å; Y106-M108 HydrophobicContact CD2-CB 4.13Å; Y106-M108 HydrophobicContact CE2-CB 4.04Å
109V94.7Very high88.5Confident34 Ų3457.7 Ų57.721%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-134.8139.3179-177.30000109.4L81 L82 F83 V84 A111 P118L81-V109 HydrophobicContact CD1-CG2 4.1Å; L82-V109 PolarHBondContact O-N 3.12Å; F83-V109 WeakPolarHBondContact CA-O 3.41Å; F83-V109 HydrophobicContact CD1-CB 4.36Å; F83-V109 HydrophobicContact CE1-CB 4.37Å; F83-V109 HydrophobicContact CE1-CG1 4.36Å; V84-V109 PolarHBondContact N-O 3.25Å; V109-A111 PolarHBondContact O-N 3.14Å; V109-P118 HydrophobicContact CG2-CG 4.09Å
110I93.6Very high88.4Confident82 Ų8258.3 Ų58.342%0.42132%0.323SS..EExtended strand (participates in β ladder)trans-70.2124.2170.9-60.2168.3000108.1V84 Q87 P112V84-I110 HydrophobicContact CG2-CG1 4.29Å; V84-I110 CarbonylContact O-C 3.5Å; V84-I110 VanDerWaalsContact O-CA 3.27Å; V84-I110 WeakPolarHBondContact O-CA 3.41Å; Q87-I110 HydrophobicContact CG-CD1 4.11Å; Q87-I110 HydrophobicContact CG-CG1 4.44Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.36Å; I110-P112 VanDerWaalsContact O-N 3.09Å
111A86.6Confident88.4Confident12 Ų1259.7 Ų59.710%0.09933%0.334CS..  trans-56112.9178.200000110.2F83 V84 V109 A113 K138F83-A111 HydrophobicContact CB-CB 4.24Å; F83-A111 HydrophobicContact CD1-CB 4.34Å; V84-A111 PolarHBondContact O-N 3.01Å; V109-A111 PolarHBondContact O-N 3.14Å; A111-A113 PolarHBondContact O-N 3Å; A111-K138 HydrophobicContact CB-CB 4Å; A111-K138 HydrophobicContact CB-CD 4.35Å; A111-K138 HydrophobicContact CB-CG 3.98Å
112P75.6Confident88.1Confident39 Ų3962.3 Ų62.325%0.25335%0.347SS..  trans-68.5133.6-176.426.9-32.4000109.9I110 I117I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.36Å; I110-P112 VanDerWaalsContact O-N 3.09Å; P112-I117 HydrophobicContact CG-CG2 4.36Å
113A65.5Low87.7Confident95 Ų9570 Ų7079%0.78539%0.388SS*.SBendtrans-75.2-33.3167.800000111.3A111A111-A113 PolarHBondContact O-N 3Å
114K64.1Low87.3Confident196 Ų19668.7 Ų68.785%0.85240%0.4SS*.SBendtrans-151.4139.5170.8-66.4-175.2179179.20107.4
115G69Low87.2Confident40 Ų4072.4 Ų72.441%0.41242%0.417SS..SBendtrans128175.4179.200000113N146G115-N146 PolarHBondContact O-ND2 3.26Å
116D78.6Confident87.1Confident147 Ų14769.3 Ų69.379%0.78640%0.397SS*.PPolyproline II helixtrans-76.6143.6-174.3-60.1-38000112.4
117I89.9Confident87.1Confident15 Ų1568.8 Ų68.88%0.07740%0.396CS..PPolyproline II helixtrans-78.2155.8167.260.6173.6000110.4F83 P112 L120 M142 N146 L149 L150F83-I117 HydrophobicContact CZ-CG2 4.45Å; P112-I117 HydrophobicContact CG-CG2 4.36Å; I117-L120 HydrophobicContact CD1-CD1 3.84Å; I117-L120 HydrophobicContact CD1-CD2 4.43Å; I117-L120 HydrophobicContact CD1-CG 4.22Å; I117-M142 HydrophobicContact CG2-CE 4.39Å; I117-N146 HydrophobicContact CG2-CB 4.19Å; I117-L149 HydrophobicContact CD1-CD2 3.99Å; I117-L149 HydrophobicContact CD1-CG 4.34Å; I117-L149 HydrophobicContact CG1-CD2 4.27Å; I117-L150 HydrophobicContact CD1-CB 4.46Å
118P92.5Very high87.1Confident18 Ų1865.6 Ų65.612%0.11738%0.381CS..PPolyproline II helixtrans-59.4153.5176.427.2-38.5000111.4L81 V109 L120L81-P118 HydrophobicContact CD1-CG 3.91Å; L81-P118 HydrophobicContact CD2-CG 4.3Å; V109-P118 HydrophobicContact CG2-CG 4.09Å; P118-L120 PolarHBondContact O-N 2.83Å
119P93Very high87.1Confident93 Ų9362.9 Ų62.960%0.60437%0.367SS*.PPolyproline II helixtrans-53.7125.8174.9-25.533.7000111.5K127 Y128P119-K127 WeakPolarHBondContact O-CD 3.48Å; P119-Y128 WeakPolarHBondContact O-CE2 3.39Å
120L95.4Very high87.3Confident13 Ų1361.2 Ų61.27%0.06836%0.357CS..  trans-89.5-20.9-177.7-59.6179.9000112.9L81 I117 P118 K127 Y128 L149 L150 Y153L81-L120 HydrophobicContact CD2-CD2 4.01Å; I117-L120 HydrophobicContact CD1-CD1 3.84Å; I117-L120 HydrophobicContact CD1-CD2 4.43Å; I117-L120 HydrophobicContact CD1-CG 4.22Å; P118-L120 PolarHBondContact O-N 2.83Å; L120-K127 PolarHBondContact O-N 2.79Å; L120-Y128 HydrophobicContact CD2-CD2 4.12Å; L120-Y128 HydrophobicContact CD2-CE2 4.15Å; L120-L149 HydrophobicContact CD1-CG 4.38Å; L120-L150 HydrophobicContact CD1-CD1 3.94Å; L120-L150 HydrophobicContact CD2-CD1 4.26Å; L120-Y153 HydrophobicContact CB-CD1 4.25Å; L120-Y153 HydrophobicContact CB-CD2 3.77Å; L120-Y153 HydrophobicContact CB-CE1 4.4Å; L120-Y153 HydrophobicContact CB-CE2 3.95Å; L120-Y153 HydrophobicContact CB-CG 3.93Å; L120-Y153 HydrophobicContact CD1-CD1 3.98Å; L120-Y153 HydrophobicContact CD1-CD2 4.38Å; L120-Y153 HydrophobicContact CD1-CG 3.75Å; L120-Y153 HydrophobicContact CD2-CD1 4.5Å; L120-Y153 HydrophobicContact CG-CD1 4.48Å; L120-Y153 HydrophobicContact CG-CG 4.39Å; L120-Y153 VanDerWaalsContact O-CE2 3.24Å; L120-Y153 WeakPolarHBondContact O-CE2 3.26Å; L120-Y153 PolarHBondContact O-OH 3.44Å
121T93.8Very high87.5Confident65 Ų6557.3 Ų57.340%0.39934%0.337SS..EExtended strand (participates in β ladder)trans-126.6155-179.759.10000111.7K125 Y153 Y157T121-K125 CarbonylContact C-O 3.57Å; T121-K125 WeakPolarHBondContact CA-O 3.28Å; T121-K125 WeakPolarHBondContact CB-O 3.47Å; T121-Y153 HydrophobicContact CG2-CD2 4.1Å; T121-Y153 HydrophobicContact CG2-CE2 3.98Å; T121-Y157 HydrophobicContact CG2-CE2 3.84Å
122D88.7Confident88Confident74 Ų7456.8 Ų56.840%0.39633%0.332SS..EExtended strand (participates in β ladder)trans-141.9120.7172.7-168.4-4.7000108.6G124 K125 K127D122-G124 PolarHBondContact O-N 2.96Å; D122-G124 VanDerWaalsContact O-N 3.12Å; D122-K125 PolarHBondContact N-O 2.74Å; D122-K125 WeakPolarHBondContact O-CB 3.4Å; D122-K125 PolarHBondContact O-N 2.81Å; D122-K127 HydrophobicContact CB-CD 3.92Å; D122-K127 HydrophobicContact CB-CG 3.93Å; D122-K127 IonicContact OD2-NZ 3.97Å
123N85.4Confident89.1Confident166 Ų16655 Ų5589%0.88832%0.321SS*.THydrogen-bonded Turntrans47.940.3-176.6-61.6-44000114.3K125N123-K125 VanDerWaalsContact C-N 3.3Å; N123-K125 PolarHBondContact O-N 3.46Å
124G85.2Confident90.6Very high57 Ų5751 Ų5159%0.58829%0.286SS*.THydrogen-bonded Turntrans82.2-4.6179.200000115.5D122 Y157D122-G124 PolarHBondContact O-N 2.96Å; D122-G124 VanDerWaalsContact O-N 3.12Å; G124-Y157 PolarHBondContact O-OH 3.21Å
125K92.7Very high92Very high95 Ų9543.2 Ų43.241%0.41325%0.253SS..EExtended strand (participates in β ladder)trans-95.4143.8174.4-163.8-178.4-174.4-169.40110.8K75 D77 T121 D122 N123K75-K125 WeakPolarHBondContact O-CG 3.41Å; D77-K125 WeakPolarHBondContact OD1-CE 3.08Å; D77-K125 IonicContact OD1-NZ 2.8Å; D77-K125 PolarHBondContact OD1-NZ 2.84Å; T121-K125 CarbonylContact C-O 3.57Å; T121-K125 WeakPolarHBondContact CA-O 3.28Å; T121-K125 WeakPolarHBondContact CB-O 3.47Å; D122-K125 PolarHBondContact N-O 2.74Å; D122-K125 WeakPolarHBondContact O-CB 3.4Å; D122-K125 PolarHBondContact O-N 2.81Å; N123-K125 VanDerWaalsContact C-N 3.3Å; N123-K125 PolarHBondContact O-N 3.46Å
126G95.2Very high93.3Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-74.6132.9174.100000111.3K75 T76 D77 Y153 Y157K75-G126 PolarHBondContact O-N 2.89Å; T76-G126 CarbonylContact C-O 3.58Å; T76-G126 WeakPolarHBondContact CA-O 3.29Å; D77-G126 PolarHBondContact N-O 2.77Å; G126-Y153 VanDerWaalsContact CA-OH 3.31Å; G126-Y153 WeakPolarHBondContact CA-OH 3.08Å; G126-Y157 VanDerWaalsContact N-CE1 3.29Å
127K96.2Very high94Very high61 Ų6137.6 Ų37.627%0.26521%0.214SC..SBendtrans-80.4-19.2-176.4-59.1-169.292.3160.10113.5T79 P119 L120 D122 Y153T79-K127 WeakPolarHBondContact CB-O 3.4Å; P119-K127 WeakPolarHBondContact O-CD 3.48Å; L120-K127 PolarHBondContact O-N 2.79Å; D122-K127 HydrophobicContact CB-CD 3.92Å; D122-K127 HydrophobicContact CB-CG 3.93Å; D122-K127 IonicContact OD2-NZ 3.97Å; K127-Y153 PolarHBondContact N-OH 2.91Å
128Y97.4Very high94.1Very high11 Ų1140.2 Ų40.24%0.04322%0.224CC..  trans-135.3137.9-173.9-45.6-73.6000111.3T76 T79 L81 H107 P119 L120 Y153 V159T76-Y128 WeakPolarHBondContact CG2-O 3.34Å; T79-Y128 HydrophobicContact CG2-CD1 3.95Å; T79-Y128 HydrophobicContact CG2-CE1 4.22Å; T79-Y128 CarbonylContact O-C 3.58Å; T79-Y128 VanDerWaalsContact O-CA 3.24Å; T79-Y128 WeakPolarHBondContact O-CA 3.39Å; L81-Y128 HydrophobicContact CB-CD1 3.74Å; L81-Y128 HydrophobicContact CB-CD2 4.01Å; L81-Y128 HydrophobicContact CB-CE1 4.23Å; L81-Y128 HydrophobicContact CB-CE2 4.46Å; L81-Y128 HydrophobicContact CB-CG 3.63Å; L81-Y128 HydrophobicContact CD1-CE1 4.24Å; L81-Y128 HydrophobicContact CD1-CE2 4.32Å; L81-Y128 HydrophobicContact CD2-CD2 3.95Å; L81-Y128 HydrophobicContact CD2-CE2 4.06Å; L81-Y128 HydrophobicContact CD2-CG 4.43Å; L81-Y128 HydrophobicContact CG-CD2 4.44Å; H107-Y128 HydrophobicContact CB-CE1 3.72Å; H107-Y128 AromaticContact ND1-CE1 3.82Å; H107-Y128 AromaticContact ND1-CZ 3.64Å; H107-Y128 PolarHBondContact ND1-OH 3.4Å; P119-Y128 WeakPolarHBondContact O-CE2 3.39Å; L120-Y128 HydrophobicContact CD2-CD2 4.12Å; L120-Y128 HydrophobicContact CD2-CE2 4.15Å; Y128-Y153 PolarHBondContact N-OH 3.01Å; Y128-Y153 PolarHBondContact O-OH 3.24Å; Y128-V159 WeakPolarHBondContact O-CG2 3.31Å
129M96.2Very high94.1Very high7 Ų739.4 Ų39.43%0.03422%0.219CC..SBendtrans-99.9-20.8179.371.7175.7-32.100114.6P73 T76 D77 P78 T79 S293 K296 L297P73-M129 HydrophobicContact CB-CE 3.69Å; T76-M129 VanDerWaalsContact OG1-CB 3.31Å; T76-M129 WeakPolarHBondContact OG1-CB 3.34Å; D77-M129 PolarHBondContact O-N 3.44Å; P78-M129 HydrophobicContact CB-SD 4.14Å; T79-M129 PolarHBondContact O-N 3.4Å; M129-S293 WeakPolarHBondContact CE-O 3.21Å; M129-K296 HydrophobicContact CE-CB 3.75Å; M129-K296 HydrophobicContact CE-CG 4.09Å; M129-K296 HydrophobicContact SD-CB 4.18Å; M129-L297 HydrophobicContact CG-CD1 4.01Å; M129-L297 HydrophobicContact SD-CD1 3.61Å; M129-L297 HydrophobicContact SD-CD2 4.43Å; M129-L297 HydrophobicContact SD-CG 3.6Å; M129-L297 VanDerWaalsContact SD-CG 3.6Å
130I97.8Very high94Very high0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-137.3140.9175-66.9173000107.9L81 I132 I162 I289 L292 L297L81-I130 PolarHBondContact N-O 3.19Å; I130-I132 HydrophobicContact CG2-CD1 4.45Å; I130-I132 HydrophobicContact CG2-CG1 3.83Å; I130-I162 HydrophobicContact CG2-CD1 4.26Å; I130-I162 HydrophobicContact CG2-CG1 4.31Å; I130-I289 HydrophobicContact CD1-CG2 4.2Å; I130-L292 HydrophobicContact CD1-CB 4.09Å; I130-L292 HydrophobicContact CG1-CB 4.38Å; I130-L297 HydrophobicContact CD1-CD1 4.48Å
131V98.3Very high93.8Very high0 Ų039.2 Ų39.20%022%0.221CC..EExtended strand (participates in β ladder)trans-109.3129.9168.5-175.20000108.9L81 F83 Y133 L150 V159 S160 I161 I162L81-V131 HydrophobicContact CB-CG2 4.33Å; L81-V131 HydrophobicContact CD2-CG1 4.46Å; L81-V131 HydrophobicContact CD2-CG2 4.38Å; L81-V131 CarbonylContact O-C 3.58Å; L81-V131 WeakPolarHBondContact O-CA 3.27Å; F83-V131 HydrophobicContact CD2-CG1 3.73Å; F83-V131 HydrophobicContact CE2-CG1 3.73Å; V131-Y133 HydrophobicContact CG1-CD2 4.04Å; V131-Y133 HydrophobicContact CG1-CE2 3.49Å; V131-Y133 VanDerWaalsContact CG1-CE2 3.49Å; V131-L150 HydrophobicContact CG2-CD1 4.29Å; V131-V159 HydrophobicContact CG2-CG1 3.83Å; V131-S160 PolarHBondContact N-O 3.48Å; V131-I161 HydrophobicContact CB-CG1 4.44Å; V131-I161 CarbonylContact O-C 3.51Å; V131-I161 VanDerWaalsContact O-CA 3.26Å; V131-I161 WeakPolarHBondContact O-CA 3.35Å; V131-I162 PolarHBondContact O-N 3.29Å
132I98.6Very high93.6Very high0 Ų037.2 Ų37.20%021%0.207CC..EExtended strand (participates in β ladder)trans-116.4130.6178-53.8-174000108.8V80 L81 L82 F83 I95 I130 I162 F164 F285V80-I132 HydrophobicContact CG1-CB 4.45Å; V80-I132 HydrophobicContact CG1-CD1 3.49Å; V80-I132 VanDerWaalsContact CG1-CD1 3.49Å; V80-I132 HydrophobicContact CG1-CG1 3.64Å; L81-I132 PolarHBondContact O-N 2.9Å; L82-I132 HydrophobicContact CD1-CB 3.8Å; L82-I132 HydrophobicContact CD1-CG2 3.71Å; F83-I132 PolarHBondContact N-O 2.81Å; I95-I132 HydrophobicContact CD1-CG2 4.11Å; I95-I132 HydrophobicContact CG2-CD1 4.44Å; I130-I132 HydrophobicContact CG2-CD1 4.45Å; I130-I132 HydrophobicContact CG2-CG1 3.83Å; I132-I162 CarbonylContact C-O 3.58Å; I132-I162 VanDerWaalsContact CA-O 3.31Å; I132-I162 WeakPolarHBondContact CA-O 3.29Å; I132-I162 HydrophobicContact CD1-CD1 4.37Å; I132-I162 HydrophobicContact CG1-CB 4.17Å; I132-I162 HydrophobicContact CG1-CD1 4.47Å; I132-I162 HydrophobicContact CG2-CB 4.34Å; I132-F164 HydrophobicContact CG2-CE2 4.21Å; I132-F285 HydrophobicContact CD1-CE2 3.97Å; I132-F285 HydrophobicContact CD1-CZ 3.86Å
133Y97.8Very high93.7Very high1 Ų136.8 Ų36.80%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-111.7118.9171.1-75.8-88.3000109.7F83 V131 N135 K138 Y139 M142 L150 I161 I162 F164F83-Y133 HydrophobicContact CB-CD1 3.59Å; F83-Y133 HydrophobicContact CB-CE1 3.68Å; F83-Y133 HydrophobicContact CB-CG 4.29Å; F83-Y133 HydrophobicContact CD1-CE1 4.48Å; F83-Y133 HydrophobicContact CD2-CD1 4.05Å; F83-Y133 HydrophobicContact CD2-CD2 4.49Å; F83-Y133 AromaticContact CD2-CE1 3.42Å; F83-Y133 HydrophobicContact CD2-CE1 3.42Å; F83-Y133 VanDerWaalsContact CD2-CE1 3.42Å; F83-Y133 AromaticContact CD2-CE2 3.95Å; F83-Y133 HydrophobicContact CD2-CE2 3.95Å; F83-Y133 AromaticContact CD2-CZ 3.36Å; F83-Y133 HydrophobicContact CE2-CE1 4.14Å; F83-Y133 HydrophobicContact CE2-CE2 4.41Å; F83-Y133 AromaticContact CE2-CZ 3.74Å; F83-Y133 WeakPolarHBondContact CE2-OH 3.43Å; F83-Y133 HydrophobicContact CG-CD1 4.07Å; F83-Y133 AromaticContact CG-CE1 3.61Å; F83-Y133 HydrophobicContact CG-CE1 3.61Å; V131-Y133 HydrophobicContact CG1-CD2 4.04Å; V131-Y133 HydrophobicContact CG1-CE2 3.49Å; V131-Y133 VanDerWaalsContact CG1-CE2 3.49Å; Y133-N135 PolarHBondContact O-N 2.94Å; Y133-K138 HydrophobicContact CD1-CB 4.33Å; Y133-Y139 HydrophobicContact CE2-CD2 4.09Å; Y133-Y139 HydrophobicContact CE2-CG 4.15Å; Y133-M142 HydrophobicContact CE1-CE 4.43Å; Y133-M142 WeakPolarHBondContact OH-CE 3.29Å; Y133-L150 HydrophobicContact CE2-CD2 4.35Å; Y133-L150 WeakPolarHBondContact OH-CD2 2.71Å; Y133-I161 HydrophobicContact CD2-CG2 3.93Å; Y133-I161 HydrophobicContact CE2-CG2 4.37Å; Y133-I162 PolarHBondContact N-O 2.76Å; Y133-F164 PolarHBondContact O-N 2.94Å
134E96.4Very high93.9Very high13 Ų1333.6 Ų33.66%0.06120%0.196CC..SBendtrans-64.9-21.5170.283172.6-155.900112.4F83 V84 E85 S89 L91 G92 I95 F164F83-E134 PolarHBondContact O-N 2.91Å; V84-E134 VanDerWaalsContact CA-CD 3.45Å; V84-E134 WeakPolarHBondContact CA-OE2 3.39Å; V84-E134 VanDerWaalsContact CB-OE2 3.3Å; V84-E134 WeakPolarHBondContact CB-OE2 3.31Å; V84-E134 WeakPolarHBondContact CG1-OE2 3.26Å; E85-E134 WeakPolarHBondContact CA-OE1 3.34Å; E85-E134 WeakPolarHBondContact CB-OE1 3.42Å; E85-E134 HydrophobicContact CG-CG 4.09Å; E85-E134 WeakPolarHBondContact CG-OE1 3.49Å; E85-E134 PolarHBondContact N-OE1 2.83Å; S89-E134 WeakPolarHBondContact CB-OE1 3.48Å; S89-E134 WeakPolarHBondContact CB-OE2 3.27Å; S89-E134 VanDerWaalsContact OG-CD 3.26Å; S89-E134 PolarHBondContact OG-OE1 3.3Å; S89-E134 PolarHBondContact OG-OE2 2.89Å; L91-E134 HydrophobicContact CD2-CB 4.15Å; L91-E134 WeakPolarHBondContact CD2-O 3.42Å; L91-E134 HydrophobicContact CG-CB 4.23Å; G92-E134 WeakPolarHBondContact CA-OE2 3.39Å; G92-E134 PolarHBondContact N-OE2 3.47Å; I95-E134 HydrophobicContact CD1-CB 4.4Å; E134-F164 VanDerWaalsContact O-CB 3.31Å; E134-F164 WeakPolarHBondContact O-CB 3.31Å
135N95.1Very high94.1Very high31 Ų3139.4 Ų39.417%0.16620%0.2CC..SBendtrans-139.8106.7171.5-175.1-6.8000109.7E85 Y133 L137 K138 F164E85-N135 HydrophobicContact CG-CB 4.21Å; E85-N135 PolarHBondContact OE1-ND2 3.41Å; Y133-N135 PolarHBondContact O-N 2.94Å; N135-L137 PolarHBondContact O-N 3Å; N135-L137 VanDerWaalsContact O-N 3.14Å; N135-L137 VanDerWaalsContact OD1-CB 3.26Å; N135-L137 WeakPolarHBondContact OD1-CB 3.48Å; N135-L137 WeakPolarHBondContact OD1-CG 3.43Å; N135-L137 PolarHBondContact OD1-N 2.91Å; N135-K138 HydrophobicContact CB-CG 4.22Å; N135-K138 WeakPolarHBondContact O-CB 3.36Å; N135-K138 PolarHBondContact O-N 2.86Å; N135-F164 CarbonylContact C-O 3.48Å; N135-F164 VanDerWaalsContact CA-O 3.28Å; N135-F164 WeakPolarHBondContact CA-O 3.49Å
136I95.1Very high94Very high6 Ų635.2 Ų35.23%0.03118%0.182CC..Hα-helixtrans-62-21.5-179-165.760.6000112.5K138 Y139 V140 I161 F164 H165 L271I136-K138 PolarHBondContact O-N 3.03Å; I136-Y139 HydrophobicContact CD1-CD1 3.76Å; I136-Y139 HydrophobicContact CD1-CG 4.29Å; I136-Y139 WeakPolarHBondContact O-CB 3.43Å; I136-Y139 PolarHBondContact O-N 2.86Å; I136-Y139 VanDerWaalsContact O-N 3.12Å; I136-V140 PolarHBondContact O-N 3.27Å; I136-V140 VanDerWaalsContact O-N 3.14Å; I136-I161 HydrophobicContact CD1-CG2 4.39Å; I136-F164 PolarHBondContact N-O 2.97Å; I136-H165 HydrophobicContact CG2-CB 3.91Å; I136-L271 HydrophobicContact CD1-CD2 4.14Å; I136-L271 HydrophobicContact CG1-CD2 4.05Å
137L93.3Very high93.9Very high64 Ų6437.1 Ų37.134%0.33519%0.189SC..Hα-helixtrans-63.1-26.4174.5-59-177.1000112.1N135 V140 S141 L177N135-L137 PolarHBondContact O-N 3Å; N135-L137 VanDerWaalsContact O-N 3.14Å; N135-L137 VanDerWaalsContact OD1-CB 3.26Å; N135-L137 WeakPolarHBondContact OD1-CB 3.48Å; N135-L137 WeakPolarHBondContact OD1-CG 3.43Å; N135-L137 PolarHBondContact OD1-N 2.91Å; L137-V140 PolarHBondContact O-N 3.3Å; L137-S141 VanDerWaalsContact O-CB 3.29Å; L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.22Å; L137-S141 PolarHBondContact O-OG 3.43Å; L137-L177 HydrophobicContact CD2-CD1 3.77Å
138K92.9Very high93.7Very high69 Ų6940.3 Ų40.330%0.321%0.205SC..Hα-helixtrans-67.1-36.3174.2-62.7-63.8-176.8179.20112.4E85 A111 Y133 N135 I136 M142E85-K138 VanDerWaalsContact OE1-CE 3.29Å; E85-K138 WeakPolarHBondContact OE1-CE 3.28Å; A111-K138 HydrophobicContact CB-CB 4Å; A111-K138 HydrophobicContact CB-CD 4.35Å; A111-K138 HydrophobicContact CB-CG 3.98Å; Y133-K138 HydrophobicContact CD1-CB 4.33Å; N135-K138 HydrophobicContact CB-CG 4.22Å; N135-K138 WeakPolarHBondContact O-CB 3.36Å; N135-K138 PolarHBondContact O-N 2.86Å; I136-K138 PolarHBondContact O-N 3.03Å; K138-M142 PolarHBondContact O-N 3.38Å; K138-M142 VanDerWaalsContact O-N 3.17Å
139Y92.3Very high93.6Very high1 Ų143.5 Ų43.50%0.00422%0.222CC..Hα-helixtrans-67.3-43.3172.2169.2-116.6000111.3Y133 I136 M142 R147 L150 E151 I161 F180 R269Y133-Y139 HydrophobicContact CE2-CD2 4.09Å; Y133-Y139 HydrophobicContact CE2-CG 4.15Å; I136-Y139 HydrophobicContact CD1-CD1 3.76Å; I136-Y139 HydrophobicContact CD1-CG 4.29Å; I136-Y139 WeakPolarHBondContact O-CB 3.43Å; I136-Y139 PolarHBondContact O-N 2.86Å; I136-Y139 VanDerWaalsContact O-N 3.12Å; Y139-M142 VanDerWaalsContact O-CB 3.29Å; Y139-M142 WeakPolarHBondContact O-CB 3.47Å; Y139-M142 PolarHBondContact O-N 2.86Å; Y139-R147 HydrophobicContact CE2-CG 4.49Å; Y139-L150 HydrophobicContact CD2-CD2 4.1Å; Y139-L150 HydrophobicContact CE2-CD2 4.14Å; Y139-E151 HydrophobicContact CE2-CG 4.46Å; Y139-E151 WeakPolarHBondContact OH-CG 3.45Å; Y139-E151 PolarHBondContact OH-OE1 3.39Å; Y139-I161 HydrophobicContact CE1-CD1 4.3Å; Y139-I161 HydrophobicContact CE2-CD1 4.11Å; Y139-F180 HydrophobicContact CE1-CE2 4.12Å; Y139-F180 AromaticContact CE1-CZ 3.7Å; Y139-F180 HydrophobicContact CE1-CZ 3.7Å; Y139-R269 PolarHBondContact OH-NH2 3.48Å; Y139-R269 VanDerWaalsContact OH-NH2 3.16Å
140V91.4Very high93.5Very high13 Ų1343.2 Ų43.28%0.07922%0.221CC..Hα-helixtrans-71.3-33.2-177.3176.20000113.2I136 L137 R147 L177 K178 F180I136-V140 PolarHBondContact O-N 3.27Å; I136-V140 VanDerWaalsContact O-N 3.14Å; L137-V140 PolarHBondContact O-N 3.3Å; V140-R147 PolarHBondContact O-NH1 3.12Å; V140-L177 HydrophobicContact CG1-CD1 4.47Å; V140-L177 HydrophobicContact CG2-CD1 3.83Å; V140-L177 HydrophobicContact CG2-CD2 4.24Å; V140-L177 HydrophobicContact CG2-CG 3.91Å; V140-K178 HydrophobicContact CG1-CB 3.65Å; V140-K178 WeakPolarHBondContact CG1-O 3.38Å; V140-F180 HydrophobicContact CG2-CD2 4.32Å; V140-F180 HydrophobicContact CG2-CE2 3.99Å
141S90.4Very high93.4Very high90 Ų9045.6 Ų45.663%0.62923%0.232SC*.THydrogen-bonded Turntrans-91.6-0.717960.80000114.2L137L137-S141 VanDerWaalsContact O-CB 3.29Å; L137-S141 WeakPolarHBondContact O-CB 3.35Å; L137-S141 PolarHBondContact O-N 3.22Å; L137-S141 PolarHBondContact O-OG 3.43Å
142M89.9Confident93.3Very high23 Ų2352.1 Ų52.111%0.11326%0.26CS..SBendtrans-55.8146.5174.3-171.8173.9-72.700110.9I117 Y133 K138 Y139 N146 R147I117-M142 HydrophobicContact CG2-CE 4.39Å; Y133-M142 HydrophobicContact CE1-CE 4.43Å; Y133-M142 WeakPolarHBondContact OH-CE 3.29Å; K138-M142 PolarHBondContact O-N 3.38Å; K138-M142 VanDerWaalsContact O-N 3.17Å; Y139-M142 VanDerWaalsContact O-CB 3.29Å; Y139-M142 WeakPolarHBondContact O-CB 3.47Å; Y139-M142 PolarHBondContact O-N 2.86Å; M142-N146 HydrophobicContact CG-CB 3.76Å; M142-N146 HydrophobicContact SD-CB 3.64Å; M142-R147 HydrophobicContact CB-CB 4.31Å; M142-R147 HydrophobicContact CG-CB 4.26Å; M142-R147 HydrophobicContact SD-CB 4.28Å
143D90Very high93.2Very high64 Ų6452.5 Ų52.534%0.34226%0.262SS..  trans-60152.7173.366.992000111.1W145 N146 R147D143-W145 VanDerWaalsContact C-N 3.26Å; D143-W145 PolarHBondContact O-N 2.8Å; D143-W145 PolarHBondContact OD1-N 3.32Å; D143-N146 PolarHBondContact O-N 2.96Å; D143-N146 PolarHBondContact OD1-N 3.36Å; D143-N146 PolarHBondContact OD1-ND2 2.96Å; D143-N146 PolarHBondContact OD2-ND2 3.03Å; D143-R147 VanDerWaalsContact O-CB 3.25Å; D143-R147 WeakPolarHBondContact O-CB 3.47Å; D143-R147 PolarHBondContact O-N 2.82Å
144S88.9Confident93.1Very high100 Ų10052.5 Ų52.570%0.69926%0.262SS*.Hα-helixtrans-61.6-34.2-171.251.50000113.2E148S144-E148 VanDerWaalsContact O-CB 3.27Å; S144-E148 WeakPolarHBondContact O-CB 3.25Å; S144-E148 PolarHBondContact O-N 2.83Å
145W90.4Very high93Very high178 Ų17855 Ų5567%0.67428%0.278SS*.Hα-helixtrans-69.1-53.5-177.9178.2-96.3000111.5D143 R147 E148 L149D143-W145 VanDerWaalsContact C-N 3.26Å; D143-W145 PolarHBondContact O-N 2.8Å; D143-W145 PolarHBondContact OD1-N 3.32Å; W145-R147 VanDerWaalsContact C-N 3.27Å; W145-R147 PolarHBondContact O-N 3.46Å; W145-E148 PolarHBondContact O-N 3.05Å; W145-L149 WeakPolarHBondContact O-CB 3.29Å; W145-L149 PolarHBondContact O-N 2.98Å
146N91.5Very high93Very high7 Ų758.3 Ų58.34%0.03729%0.293CS..Hα-helixtrans-62.8-37177.4-78.1-40000111.9G115 I117 M142 D143 L149 L150G115-N146 PolarHBondContact O-ND2 3.26Å; I117-N146 HydrophobicContact CG2-CB 4.19Å; M142-N146 HydrophobicContact CG-CB 3.76Å; M142-N146 HydrophobicContact SD-CB 3.64Å; D143-N146 PolarHBondContact O-N 2.96Å; D143-N146 PolarHBondContact OD1-N 3.36Å; D143-N146 PolarHBondContact OD1-ND2 2.96Å; D143-N146 PolarHBondContact OD2-ND2 3.03Å; N146-L149 PolarHBondContact O-N 2.67Å; N146-L150 WeakPolarHBondContact O-CB 3.5Å; N146-L150 PolarHBondContact O-N 2.75Å
147R91.7Very high93Very high40 Ų4059.3 Ų59.315%0.15130%0.296CS..Hα-helixtrans-63.7-48.3177-177.6171.9173.7168.60.6111.6Y139 V140 M142 D143 W145 L149 L150 E151Y139-R147 HydrophobicContact CE2-CG 4.49Å; V140-R147 PolarHBondContact O-NH1 3.12Å; M142-R147 HydrophobicContact CB-CB 4.31Å; M142-R147 HydrophobicContact CG-CB 4.26Å; M142-R147 HydrophobicContact SD-CB 4.28Å; D143-R147 VanDerWaalsContact O-CB 3.25Å; D143-R147 WeakPolarHBondContact O-CB 3.47Å; D143-R147 PolarHBondContact O-N 2.82Å; W145-R147 VanDerWaalsContact C-N 3.27Å; W145-R147 PolarHBondContact O-N 3.46Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 3.44Å; R147-L150 PolarHBondContact O-N 3.41Å; R147-E151 HydrophobicContact CG-CG 4.38Å; R147-E151 WeakPolarHBondContact CG-OE1 3.32Å; R147-E151 IonicContact CZ-OE1 3.11Å; R147-E151 IonicContact NE-OE1 3.93Å; R147-E151 PolarHBondContact NE-OE1 3.36Å; R147-E151 IonicContact NH2-OE1 3.8Å; R147-E151 PolarHBondContact NH2-OE1 3.46Å; R147-E151 WeakPolarHBondContact O-CB 3.2Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.43Å; R147-E151 PolarHBondContact O-N 3.05Å
148E93.1Very high93.1Very high128 Ų12857.4 Ų57.460%0.59829%0.288SS*.Hα-helixtrans-62.9-41.2177.6-174.9177.9179.300111.5S144 W145 L150 E151 K152S144-E148 VanDerWaalsContact O-CB 3.27Å; S144-E148 WeakPolarHBondContact O-CB 3.25Å; S144-E148 PolarHBondContact O-N 2.83Å; W145-E148 PolarHBondContact O-N 3.05Å; E148-L150 PolarHBondContact O-N 3.06Å; E148-E151 PolarHBondContact O-N 2.69Å; E148-K152 VanDerWaalsContact O-CB 3.29Å; E148-K152 WeakPolarHBondContact O-CB 3.22Å; E148-K152 PolarHBondContact O-N 3.14Å
149L94Very high93.3Very high78 Ų7854.2 Ų54.241%0.40828%0.275SS..Hα-helixtrans-59.5-46.7175.8179.161.4000111.8I117 L120 W145 N146 R147 Y153I117-L149 HydrophobicContact CD1-CD2 3.99Å; I117-L149 HydrophobicContact CD1-CG 4.34Å; I117-L149 HydrophobicContact CG1-CD2 4.27Å; L120-L149 HydrophobicContact CD1-CG 4.38Å; W145-L149 WeakPolarHBondContact O-CB 3.29Å; W145-L149 PolarHBondContact O-N 2.98Å; N146-L149 PolarHBondContact O-N 2.67Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 3.44Å; L149-Y153 WeakPolarHBondContact O-CB 3.23Å; L149-Y153 PolarHBondContact O-N 3.02Å
150L95.1Very high93.5Very high1 Ų154.4 Ų54.41%0.00528%0.276CS..Hα-helixtrans-68-42.6178.4-175.266.1000112.1I117 L120 V131 Y133 Y139 N146 R147 E148 Y153 C154I117-L150 HydrophobicContact CD1-CB 4.46Å; L120-L150 HydrophobicContact CD1-CD1 3.94Å; L120-L150 HydrophobicContact CD2-CD1 4.26Å; V131-L150 HydrophobicContact CG2-CD1 4.29Å; Y133-L150 HydrophobicContact CE2-CD2 4.35Å; Y133-L150 WeakPolarHBondContact OH-CD2 2.71Å; Y139-L150 HydrophobicContact CD2-CD2 4.1Å; Y139-L150 HydrophobicContact CE2-CD2 4.14Å; N146-L150 WeakPolarHBondContact O-CB 3.5Å; N146-L150 PolarHBondContact O-N 2.75Å; R147-L150 PolarHBondContact O-N 3.41Å; E148-L150 PolarHBondContact O-N 3.06Å; L150-Y153 HydrophobicContact CD1-CD1 4.45Å; L150-Y153 WeakPolarHBondContact O-CB 3.43Å; L150-Y153 PolarHBondContact O-N 2.84Å; L150-C154 PolarHBondContact O-N 3.04Å; L150-C154 PolarHBondContact O-SG 3.36Å
151E95.4Very high93.8Very high51 Ų5153.8 Ų53.824%0.23827%0.272CS..Hα-helixtrans-63.1-43178-74.7173176.400111.2Y139 R147 E148 Y153 C154 V155 I267Y139-E151 HydrophobicContact CE2-CG 4.46Å; Y139-E151 WeakPolarHBondContact OH-CG 3.45Å; Y139-E151 PolarHBondContact OH-OE1 3.39Å; R147-E151 HydrophobicContact CG-CG 4.38Å; R147-E151 WeakPolarHBondContact CG-OE1 3.32Å; R147-E151 IonicContact CZ-OE1 3.11Å; R147-E151 IonicContact NE-OE1 3.93Å; R147-E151 PolarHBondContact NE-OE1 3.36Å; R147-E151 IonicContact NH2-OE1 3.8Å; R147-E151 PolarHBondContact NH2-OE1 3.46Å; R147-E151 WeakPolarHBondContact O-CB 3.2Å; R147-E151 VanDerWaalsContact O-CG 3.28Å; R147-E151 WeakPolarHBondContact O-CG 3.43Å; R147-E151 PolarHBondContact O-N 3.05Å; E148-E151 PolarHBondContact O-N 2.69Å; E151-Y153 PolarHBondContact O-N 2.61Å; E151-C154 PolarHBondContact O-N 2.89Å; E151-V155 WeakPolarHBondContact O-CG2 3.26Å; E151-V155 PolarHBondContact O-N 2.85Å; E151-I267 HydrophobicContact CB-CD1 4.01Å; E151-I267 HydrophobicContact CG-CD1 3.85Å
152K95.8Very high94.2Very high136 Ų13649.5 Ų49.559%0.59124%0.242SC*.Hα-helixtrans-59.7-45.8173.3-175.5178.4178.2-178.60111.5E148 C154 V155 E156E148-K152 VanDerWaalsContact O-CB 3.29Å; E148-K152 WeakPolarHBondContact O-CB 3.22Å; E148-K152 PolarHBondContact O-N 3.14Å; K152-C154 PolarHBondContact O-N 3.07Å; K152-V155 PolarHBondContact O-N 3.28Å; K152-E156 VanDerWaalsContact O-CB 3.22Å; K152-E156 WeakPolarHBondContact O-CB 3.36Å; K152-E156 PolarHBondContact O-N 2.62Å
153Y96.4Very high94.6Very high8 Ų848.4 Ų48.43%0.03124%0.237CC..Hα-helixtrans-58-47.5175.1175.4-105.6000111.7L120 T121 G126 K127 Y128 L149 L150 E151 V155 E156 Y157 V159L120-Y153 HydrophobicContact CB-CD1 4.25Å; L120-Y153 HydrophobicContact CB-CD2 3.77Å; L120-Y153 HydrophobicContact CB-CE1 4.4Å; L120-Y153 HydrophobicContact CB-CE2 3.95Å; L120-Y153 HydrophobicContact CB-CG 3.93Å; L120-Y153 HydrophobicContact CD1-CD1 3.98Å; L120-Y153 HydrophobicContact CD1-CD2 4.38Å; L120-Y153 HydrophobicContact CD1-CG 3.75Å; L120-Y153 HydrophobicContact CD2-CD1 4.5Å; L120-Y153 HydrophobicContact CG-CD1 4.48Å; L120-Y153 HydrophobicContact CG-CG 4.39Å; L120-Y153 VanDerWaalsContact O-CE2 3.24Å; L120-Y153 WeakPolarHBondContact O-CE2 3.26Å; L120-Y153 PolarHBondContact O-OH 3.44Å; T121-Y153 HydrophobicContact CG2-CD2 4.1Å; T121-Y153 HydrophobicContact CG2-CE2 3.98Å; G126-Y153 VanDerWaalsContact CA-OH 3.31Å; G126-Y153 WeakPolarHBondContact CA-OH 3.08Å; K127-Y153 PolarHBondContact N-OH 2.91Å; Y128-Y153 PolarHBondContact N-OH 3.01Å; Y128-Y153 PolarHBondContact O-OH 3.24Å; L149-Y153 WeakPolarHBondContact O-CB 3.23Å; L149-Y153 PolarHBondContact O-N 3.02Å; L150-Y153 HydrophobicContact CD1-CD1 4.45Å; L150-Y153 WeakPolarHBondContact O-CB 3.43Å; L150-Y153 PolarHBondContact O-N 2.84Å; E151-Y153 PolarHBondContact O-N 2.61Å; Y153-V155 PolarHBondContact O-N 3.36Å; Y153-E156 PolarHBondContact O-N 2.83Å; Y153-Y157 AromaticContact CD2-CD2 3.42Å; Y153-Y157 HydrophobicContact CD2-CD2 3.42Å; Y153-Y157 VanDerWaalsContact CD2-CD2 3.42Å; Y153-Y157 AromaticContact CD2-CE2 3.91Å; Y153-Y157 HydrophobicContact CD2-CE2 3.91Å; Y153-Y157 HydrophobicContact CD2-CG 4.03Å; Y153-Y157 HydrophobicContact CE2-CD1 4.39Å; Y153-Y157 AromaticContact CE2-CD2 3.6Å; Y153-Y157 HydrophobicContact CE2-CD2 3.6Å; Y153-Y157 HydrophobicContact CE2-CE2 4.12Å; Y153-Y157 AromaticContact CE2-CG 3.76Å; Y153-Y157 HydrophobicContact CE2-CG 3.76Å; Y153-Y157 HydrophobicContact CG-CD2 4.35Å; Y153-Y157 WeakPolarHBondContact O-CB 3.29Å; Y153-Y157 PolarHBondContact O-N 3.42Å; Y153-V159 HydrophobicContact CD1-CB 4.4Å; Y153-V159 HydrophobicContact CD1-CG2 4.3Å; Y153-V159 HydrophobicContact CE1-CB 4.05Å; Y153-V159 HydrophobicContact CE1-CG1 4.12Å; Y153-V159 HydrophobicContact CE1-CG2 3.6Å
154C96.4Very high95Very high2 Ų245.4 Ų45.41%0.01422%0.221CC..Hα-helixtrans-58.9-44178.1-71.30000113L150 E151 K152 S158 V159 I267L150-C154 PolarHBondContact O-N 3.04Å; L150-C154 PolarHBondContact O-SG 3.36Å; E151-C154 PolarHBondContact O-N 2.89Å; K152-C154 PolarHBondContact O-N 3.07Å; C154-S158 CarbonylContact O-C 3.44Å; C154-S158 WeakPolarHBondContact O-CA 3.23Å; C154-S158 PolarHBondContact O-N 2.91Å; C154-V159 HydrophobicContact CB-CB 4.49Å; C154-V159 WeakPolarHBondContact CB-O 3.37Å; C154-V159 PolarHBondContact O-N 2.85Å; C154-I267 HydrophobicContact CB-CD1 3.78Å; C154-I267 HydrophobicContact CB-CG1 3.86Å; C154-I267 HydrophobicContact CB-CG2 4.18Å
155V94.9Very high95.3Very high64 Ų6441 Ų4139%0.38819%0.189SC..Hα-helixtrans-71.3-42.8179.61740000112.1E151 K152 Y153 I267E151-V155 WeakPolarHBondContact O-CG2 3.26Å; E151-V155 PolarHBondContact O-N 2.85Å; K152-V155 PolarHBondContact O-N 3.28Å; Y153-V155 PolarHBondContact O-N 3.36Å; V155-I267 HydrophobicContact CG2-CD1 4.4Å; V155-I267 HydrophobicContact CG2-CG1 3.9Å
156E94.4Very high95.4Very high102 Ų10236.6 Ų36.648%0.47718%0.175SC..Hα-helixtrans-71.4-41.2-175.8-175.6171.9174.800112.6K152 Y153K152-E156 VanDerWaalsContact O-CB 3.22Å; K152-E156 WeakPolarHBondContact O-CB 3.36Å; K152-E156 PolarHBondContact O-N 2.62Å; Y153-E156 PolarHBondContact O-N 2.83Å
157Y95Very high95.4Very high27 Ų2736.4 Ų36.411%0.10617%0.174CC..Hα-helixtrans-100.74.8-177-68.6-92.7000113.6K75 T76 T121 G124 G126 Y153 V159K75-Y157 HydrophobicContact CB-CD1 3.79Å; K75-Y157 HydrophobicContact CB-CE1 4.41Å; T76-Y157 HydrophobicContact CG2-CD1 4.41Å; T121-Y157 HydrophobicContact CG2-CE2 3.84Å; G124-Y157 PolarHBondContact O-OH 3.21Å; G126-Y157 VanDerWaalsContact N-CE1 3.29Å; Y153-Y157 AromaticContact CD2-CD2 3.42Å; Y153-Y157 HydrophobicContact CD2-CD2 3.42Å; Y153-Y157 VanDerWaalsContact CD2-CD2 3.42Å; Y153-Y157 AromaticContact CD2-CE2 3.91Å; Y153-Y157 HydrophobicContact CD2-CE2 3.91Å; Y153-Y157 HydrophobicContact CD2-CG 4.03Å; Y153-Y157 HydrophobicContact CE2-CD1 4.39Å; Y153-Y157 AromaticContact CE2-CD2 3.6Å; Y153-Y157 HydrophobicContact CE2-CD2 3.6Å; Y153-Y157 HydrophobicContact CE2-CE2 4.12Å; Y153-Y157 AromaticContact CE2-CG 3.76Å; Y153-Y157 HydrophobicContact CE2-CG 3.76Å; Y153-Y157 HydrophobicContact CG-CD2 4.35Å; Y153-Y157 WeakPolarHBondContact O-CB 3.29Å; Y153-Y157 PolarHBondContact O-N 3.42Å; Y157-V159 VanDerWaalsContact C-N 3.28Å; Y157-V159 PolarHBondContact O-N 3.36Å
158S94.5Very high95.3Very high24 Ų2438.6 Ų38.617%0.16819%0.189CC..THydrogen-bonded Turntrans56.538.2-177.8-510000113.8C154C154-S158 CarbonylContact O-C 3.44Å; C154-S158 WeakPolarHBondContact O-CA 3.23Å; C154-S158 PolarHBondContact O-N 2.91Å
159V96.9Very high94.8Very high2 Ų241.7 Ų41.71%0.01220%0.204CC..  trans-85.8134.5179.5174.30000110.1T76 Y128 V131 Y153 C154 Y157T76-V159 HydrophobicContact CG2-CG2 3.75Å; Y128-V159 WeakPolarHBondContact O-CG2 3.31Å; V131-V159 HydrophobicContact CG2-CG1 3.83Å; Y153-V159 HydrophobicContact CD1-CB 4.4Å; Y153-V159 HydrophobicContact CD1-CG2 4.3Å; Y153-V159 HydrophobicContact CE1-CB 4.05Å; Y153-V159 HydrophobicContact CE1-CG1 4.12Å; Y153-V159 HydrophobicContact CE1-CG2 3.6Å; C154-V159 HydrophobicContact CB-CB 4.49Å; C154-V159 WeakPolarHBondContact CB-O 3.37Å; C154-V159 PolarHBondContact O-N 2.85Å; Y157-V159 VanDerWaalsContact C-N 3.28Å; Y157-V159 PolarHBondContact O-N 3.36Å
160S96.9Very high94.4Very high4 Ų445.3 Ų45.33%0.02822%0.223CC..EExtended strand (participates in β ladder)trans-105162.6-177.2-61.30000112.1V131 Q268V131-S160 PolarHBondContact N-O 3.48Å; S160-Q268 WeakPolarHBondContact CA-O 3.43Å; S160-Q268 WeakPolarHBondContact CB-O 3.24Å
161I98.1Very high94.1Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-117.7133.3-177.4-56.9178.6000111.7V131 Y133 I136 Y139 I267 Q268 R269 V270V131-I161 HydrophobicContact CB-CG1 4.44Å; V131-I161 CarbonylContact O-C 3.51Å; V131-I161 VanDerWaalsContact O-CA 3.26Å; V131-I161 WeakPolarHBondContact O-CA 3.35Å; Y133-I161 HydrophobicContact CD2-CG2 3.93Å; Y133-I161 HydrophobicContact CE2-CG2 4.37Å; I136-I161 HydrophobicContact CD1-CG2 4.39Å; Y139-I161 HydrophobicContact CE1-CD1 4.3Å; Y139-I161 HydrophobicContact CE2-CD1 4.11Å; I161-I267 HydrophobicContact CD1-CG2 4Å; I161-I267 HydrophobicContact CG1-CG2 4.05Å; I161-Q268 PolarHBondContact N-O 2.79Å; I161-R269 HydrophobicContact CB-CB 4.49Å; I161-R269 HydrophobicContact CB-CG 4.1Å; I161-R269 CarbonylContact O-C 3.59Å; I161-R269 WeakPolarHBondContact O-CA 3.4Å; I161-R269 WeakPolarHBondContact O-CB 3.34Å; I161-V270 PolarHBondContact O-N 2.95Å
162I98.8Very high93.8Very high0 Ų047.4 Ų47.40%024%0.243CC..EExtended strand (participates in β ladder)trans-107.4129.1163.1-58175.2000108.2I130 V131 I132 Y133 F164 V270 F272 F285 A288 I289 L292I130-I162 HydrophobicContact CG2-CD1 4.26Å; I130-I162 HydrophobicContact CG2-CG1 4.31Å; V131-I162 PolarHBondContact O-N 3.29Å; I132-I162 CarbonylContact C-O 3.58Å; I132-I162 VanDerWaalsContact CA-O 3.31Å; I132-I162 WeakPolarHBondContact CA-O 3.29Å; I132-I162 HydrophobicContact CD1-CD1 4.37Å; I132-I162 HydrophobicContact CG1-CB 4.17Å; I132-I162 HydrophobicContact CG1-CD1 4.47Å; I132-I162 HydrophobicContact CG2-CB 4.34Å; Y133-I162 PolarHBondContact N-O 2.76Å; I162-F164 HydrophobicContact CG2-CE2 3.99Å; I162-V270 WeakPolarHBondContact CA-O 3.48Å; I162-F272 HydrophobicContact CG2-CD2 4.1Å; I162-F272 HydrophobicContact CG2-CE2 3.84Å; I162-F285 HydrophobicContact CD1-CD2 4.41Å; I162-F285 HydrophobicContact CD1-CE2 4.14Å; I162-F285 HydrophobicContact CG2-CD2 4.16Å; I162-F285 HydrophobicContact CG2-CE2 4.06Å; I162-A288 HydrophobicContact CD1-CB 4.06Å; I162-I289 HydrophobicContact CD1-CG1 3.75Å; I162-L292 HydrophobicContact CD1-CD1 4.17Å; I162-L292 HydrophobicContact CG1-CD1 3.59Å
163G98.1Very high93.4Very high1 Ų143.7 Ų43.71%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-127.2135.9-177.800000112.2V270 L271 F272G163-V270 PolarHBondContact N-O 3.31Å; G163-L271 CarbonylContact O-C 3.59Å; G163-L271 VanDerWaalsContact O-CA 3.27Å; G163-L271 WeakPolarHBondContact O-CA 3.31Å; G163-F272 PolarHBondContact O-N 2.8Å
164F98.3Very high93.1Very high0 Ų045.6 Ų45.60%025%0.248CC..EExtended strand (participates in β ladder)trans-107145.9170.2-67-95.8000110.1L91 I95 I132 Y133 E134 N135 I136 I162 F272 N274 L276 F285L91-F164 HydrophobicContact CD1-CD1 4.26Å; L91-F164 HydrophobicContact CD1-CE1 4.31Å; L91-F164 HydrophobicContact CD2-CB 3.66Å; L91-F164 HydrophobicContact CD2-CD1 4.05Å; L91-F164 HydrophobicContact CD2-CD2 4.38Å; L91-F164 HydrophobicContact CD2-CG 3.79Å; I95-F164 HydrophobicContact CD1-CD2 4.04Å; I95-F164 HydrophobicContact CD1-CE2 3.72Å; I95-F164 HydrophobicContact CD1-CZ 4.39Å; I95-F164 HydrophobicContact CG1-CE2 4.27Å; I132-F164 HydrophobicContact CG2-CE2 4.21Å; Y133-F164 PolarHBondContact O-N 2.94Å; E134-F164 VanDerWaalsContact O-CB 3.31Å; E134-F164 WeakPolarHBondContact O-CB 3.31Å; N135-F164 CarbonylContact C-O 3.48Å; N135-F164 VanDerWaalsContact CA-O 3.28Å; N135-F164 WeakPolarHBondContact CA-O 3.49Å; I136-F164 PolarHBondContact N-O 2.97Å; I162-F164 HydrophobicContact CG2-CE2 3.99Å; F164-F272 HydrophobicContact CD1-CB 3.45Å; F164-F272 VanDerWaalsContact CD1-CB 3.45Å; F164-F272 HydrophobicContact CD1-CD2 4.22Å; F164-F272 AromaticContact CD1-CG 3.89Å; F164-F272 HydrophobicContact CD1-CG 3.89Å; F164-F272 HydrophobicContact CE1-CB 3.72Å; F164-F272 HydrophobicContact CE1-CD1 4.08Å; F164-F272 AromaticContact CE1-CD2 3.84Å; F164-F272 HydrophobicContact CE1-CD2 3.84Å; F164-F272 HydrophobicContact CE1-CE2 4.5Å; F164-F272 AromaticContact CE1-CG 3.61Å; F164-F272 HydrophobicContact CE1-CG 3.61Å; F164-F272 HydrophobicContact CE2-CD2 4.49Å; F164-F272 HydrophobicContact CG-CB 4.19Å; F164-F272 AromaticContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CE2 4.34Å; F164-F272 HydrophobicContact CZ-CG 4.23Å; F164-N274 WeakPolarHBondContact CD1-O 3.22Å; F164-L276 HydrophobicContact CE1-CD2 3.72Å; F164-L276 HydrophobicContact CE1-CG 3.91Å; F164-L276 HydrophobicContact CZ-CD1 4.35Å; F164-L276 HydrophobicContact CZ-CD2 3.87Å; F164-L276 HydrophobicContact CZ-CG 4.07Å; F164-F285 HydrophobicContact CE2-CD2 4.11Å; F164-F285 AromaticContact CE2-CE2 3.91Å; F164-F285 HydrophobicContact CE2-CE2 3.91Å; F164-F285 AromaticContact CZ-CD2 3.64Å; F164-F285 HydrophobicContact CZ-CD2 3.64Å; F164-F285 AromaticContact CZ-CE2 3.88Å; F164-F285 HydrophobicContact CZ-CE2 3.88Å; F164-F285 HydrophobicContact CZ-CG 4.31Å
165H96.3Very high92.9Very high8 Ų848 Ų484%0.03726%0.262CS..  trans-138.1111.1167.2177.680.5000108.1I136 L184 N186 T221 F272 G273 N274I136-H165 HydrophobicContact CG2-CB 3.91Å; H165-L184 HydrophobicContact CB-CD2 4.34Å; H165-N186 PolarHBondContact NE2-OD1 2.78Å; H165-T221 PolarHBondContact CD2-OG1 3.37Å; H165-F272 PolarHBondContact N-O 3.39Å; H165-G273 CarbonylContact O-C 3.57Å; H165-G273 WeakPolarHBondContact O-CA 3.13Å; H165-N274 PolarHBondContact O-N 3.38Å
166K92.9Very high92.8Very high85 Ų8551.4 Ų51.437%0.3727%0.272SS..  trans-108.3125.4175178.4175.6-178.9176.10108.4D219 N274 N275K166-D219 VanDerWaalsContact CE-CG 3.46Å; K166-D219 WeakPolarHBondContact CE-OD2 3.13Å; K166-D219 IonicContact NZ-OD2 3.01Å; K166-D219 PolarHBondContact NZ-OD2 2.99Å; K166-N274 WeakPolarHBondContact CD-OD1 3.42Å; K166-N274 WeakPolarHBondContact CG-OD1 3.35Å; K166-N275 HydrophobicContact CD-CB 4.13Å; K166-N275 PolarHBondContact NZ-ND2 2.8Å
167A91.3Very high92.7Very high3 Ų346.9 Ų46.93%0.02525%0.251CS..  trans-71.2155.4176.300000111.1N186 N187 D219A167-N186 HydrophobicContact CB-CB 3.7Å; A167-N187 WeakPolarHBondContact CB-OD1 3.3Å; A167-D219 WeakPolarHBondContact CB-O 3.4Å; A167-D219 PolarHBondContact N-O 3.33Å
168N88.7Confident92.4Very high87 Ų8753.2 Ų53.247%0.46528%0.279SS..  trans-135175.8171.560.835.3000109.5N170 S171 N187N168-N170 PolarHBondContact O-N 3.43Å; N168-N170 VanDerWaalsContact O-N 3.11Å; N168-N170 WeakPolarHBondContact OD1-CA 3.38Å; N168-N170 PolarHBondContact OD1-N 2.93Å; N168-N170 VanDerWaalsContact OD1-N 3.09Å; N168-S171 PolarHBondContact N-OG 2.65Å; N168-S171 WeakPolarHBondContact O-CB 3.33Å; N168-S171 PolarHBondContact O-N 3.45Å; N168-S171 PolarHBondContact O-OG 2.74Å; N168-S171 PolarHBondContact OD1-N 3.32Å; N168-S171 PolarHBondContact OD1-OG 3.29Å; N168-N187 PolarHBondContact O-ND2 2.96Å
169E83.3Confident92.1Very high193 Ų19354.4 Ų54.490%0.90230%0.295SS*.THydrogen-bonded Turntrans-57.3-28.6-178.9-63.3179.4178.100113.3
170N86Confident91.9Very high154 Ų15454.9 Ų54.982%0.82430%0.297SS*.THydrogen-bonded Turntrans-89.1-3.3179.3-63-39.2000113.4N168 S172N168-N170 PolarHBondContact O-N 3.43Å; N168-N170 VanDerWaalsContact O-N 3.11Å; N168-N170 WeakPolarHBondContact OD1-CA 3.38Å; N168-N170 PolarHBondContact OD1-N 2.93Å; N168-N170 VanDerWaalsContact OD1-N 3.09Å; N170-S172 PolarHBondContact O-N 3.16Å
171S87.9Confident91.7Very high23 Ų2356.3 Ų56.316%0.16131%0.306CS..SBendtrans-72.6129.9-177.8-64.30000110N168N168-S171 PolarHBondContact N-OG 2.65Å; N168-S171 WeakPolarHBondContact O-CB 3.33Å; N168-S171 PolarHBondContact O-N 3.45Å; N168-S171 PolarHBondContact O-OG 2.74Å; N168-S171 PolarHBondContact OD1-N 3.32Å; N168-S171 PolarHBondContact OD1-OG 3.29Å
172S88.1Confident91.6Very high72 Ų7256.3 Ų56.350%0.50331%0.306SS..  trans-58.9134.1175.5-64.70000110N170 S174 N186N170-S172 PolarHBondContact O-N 3.16Å; S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.11Å; S172-N186 PolarHBondContact O-ND2 3.48Å
173P87.9Confident91.4Very high59 Ų5959.3 Ų59.338%0.38332%0.32SS..SBendtrans-57.1-31.3-174.5-30.836.9000115.1Y185 N186 P245 V246P173-Y185 WeakPolarHBondContact O-CA 3.2Å; P173-N186 PolarHBondContact O-N 2.85Å; P173-P245 HydrophobicContact CB-CB 4.28Å; P173-V246 HydrophobicContact CB-CB 4.28Å; P173-V246 HydrophobicContact CB-CG2 3.34Å; P173-V246 HydrophobicContact CG-CG2 4.26Å
174S91Very high91.2Very high47 Ų4759.4 Ų59.433%0.32932%0.32SS..EExtended strand (participates in β ladder)trans-135138.3170.7-174.10000109.8S172 L184 Y185S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.11Å; S174-L184 CarbonylContact C-O 3.57Å; S174-L184 WeakPolarHBondContact CA-O 3.43Å; S174-Y185 WeakPolarHBondContact OG-CE1 3.23Å
175T91.5Very high91.1Very high53 Ų5360.9 Ų60.933%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-144.7131.4179.2-58.50000110.5L184T175-L184 PolarHBondContact N-O 3.3Å; T175-L184 PolarHBondContact O-N 2.92Å
176K92.7Very high91Very high135 Ų13560.7 Ų60.759%0.58733%0.325SS*.EExtended strand (participates in β ladder)trans-83.4126.2168.3-172.8177-1761770109.4K178K176-K178 PolarHBondContact O-N 3.28Å
177L91.9Very high90.9Very high7 Ų758.8 Ų58.84%0.03732%0.319CS..PPolyproline II helixtrans-71.2117.8179.8-161.467.3000110L137 V140 G179 F180 L182 L184L137-L177 HydrophobicContact CD2-CD1 3.77Å; V140-L177 HydrophobicContact CG1-CD1 4.47Å; V140-L177 HydrophobicContact CG2-CD1 3.83Å; V140-L177 HydrophobicContact CG2-CD2 4.24Å; V140-L177 HydrophobicContact CG2-CG 3.91Å; L177-G179 PolarHBondContact O-N 2.78Å; L177-F180 HydrophobicContact CB-CB 4.19Å; L177-F180 HydrophobicContact CD2-CB 4.17Å; L177-F180 HydrophobicContact CD2-CD2 3.74Å; L177-F180 HydrophobicContact CD2-CG 4.06Å; L177-F180 HydrophobicContact CG-CB 4.42Å; L177-F180 HydrophobicContact CG-CD2 3.92Å; L177-F180 HydrophobicContact CG-CG 4.5Å; L177-F180 PolarHBondContact O-N 2.87Å; L177-F180 VanDerWaalsContact O-O 3.11Å; L177-L182 HydrophobicContact CB-CB 4.39Å; L177-L182 HydrophobicContact CD2-CD2 4.08Å; L177-L182 PolarHBondContact N-O 3.21Å; L177-L184 HydrophobicContact CB-CD1 3.7Å; L177-L184 HydrophobicContact CD1-CD1 4.2Å; L177-L184 HydrophobicContact CG-CD1 4.37Å
178K90Very high90.9Very high160 Ų16058.9 Ų58.970%0.69632%0.319SS*.THydrogen-bonded Turntrans-61124.7-173.9-177.3-174.5178.4-1740111.3V140 K176 F180V140-K178 HydrophobicContact CG1-CB 3.65Å; V140-K178 WeakPolarHBondContact CG1-O 3.38Å; K176-K178 PolarHBondContact O-N 3.28Å; K178-F180 VanDerWaalsContact C-N 3.34Å; K178-F180 WeakPolarHBondContact O-CD2 3.41Å
179G87.8Confident91.1Very high49 Ų4955.3 Ų55.351%0.50530%0.302SS..THydrogen-bonded Turntrans84.72.4-179.300000114.8L177 H264L177-G179 PolarHBondContact O-N 2.78Å; G179-H264 PolarHBondContact O-CE1 3.36Å
180F92.9Very high91.6Very high13 Ų1346.1 Ų46.16%0.05726%0.259CS..SBendtrans-126.5145-179.7-64.3-81.6000111.3Y139 V140 L177 K178 L182Y139-F180 HydrophobicContact CE1-CE2 4.12Å; Y139-F180 AromaticContact CE1-CZ 3.7Å; Y139-F180 HydrophobicContact CE1-CZ 3.7Å; V140-F180 HydrophobicContact CG2-CD2 4.32Å; V140-F180 HydrophobicContact CG2-CE2 3.99Å; L177-F180 HydrophobicContact CB-CB 4.19Å; L177-F180 HydrophobicContact CD2-CB 4.17Å; L177-F180 HydrophobicContact CD2-CD2 3.74Å; L177-F180 HydrophobicContact CD2-CG 4.06Å; L177-F180 HydrophobicContact CG-CB 4.42Å; L177-F180 HydrophobicContact CG-CD2 3.92Å; L177-F180 HydrophobicContact CG-CG 4.5Å; L177-F180 PolarHBondContact O-N 2.87Å; L177-F180 VanDerWaalsContact O-O 3.11Å; K178-F180 VanDerWaalsContact C-N 3.34Å; K178-F180 WeakPolarHBondContact O-CD2 3.41Å; F180-L182 HydrophobicContact CB-CB 4.17Å; F180-L182 PolarHBondContact O-N 3.13Å
181P92.8Very high91.9Very high33 Ų3341.2 Ų41.221%0.21423%0.23CC..SBendtrans-78.953.1172.531.2-30.2000111.3H227 Y230P181-H227 HydrophobicContact CB-CB 3.97Å; P181-H227 HydrophobicContact CG-CB 3.83Å; P181-Y230 HydrophobicContact CG-CE2 3.98Å
182L95Very high92.2Very high0 Ų041.4 Ų41.40%023%0.229CC..EExtended strand (participates in β ladder)trans-136.5130.8-171.2-172.265.8000111.3L177 F180 L184 F223 F225 Y230 I258 L271L177-L182 HydrophobicContact CB-CB 4.39Å; L177-L182 HydrophobicContact CD2-CD2 4.08Å; L177-L182 PolarHBondContact N-O 3.21Å; F180-L182 HydrophobicContact CB-CB 4.17Å; F180-L182 PolarHBondContact O-N 3.13Å; L182-L184 HydrophobicContact CD2-CD1 4.45Å; L182-L184 HydrophobicContact CG-CD1 4.28Å; L182-F223 HydrophobicContact CD1-CB 4.12Å; L182-F223 HydrophobicContact CD1-CD1 4.34Å; L182-F223 HydrophobicContact CD2-CD1 4.03Å; L182-F223 HydrophobicContact CD2-CE1 4.46Å; L182-F223 HydrophobicContact CG-CD1 4.38Å; L182-F225 HydrophobicContact CD1-CB 3.92Å; L182-F225 HydrophobicContact CD1-CD1 4.15Å; L182-Y230 HydrophobicContact CB-CE2 4.11Å; L182-Y230 HydrophobicContact CD1-CD2 4.45Å; L182-Y230 HydrophobicContact CD1-CE2 4.22Å; L182-I258 HydrophobicContact CD1-CD1 3.67Å; L182-I258 HydrophobicContact CD2-CD1 3.9Å; L182-I258 HydrophobicContact CG-CD1 4.47Å; L182-L271 HydrophobicContact CD2-CD1 3.73Å
183H94.6Very high92.5Very high64 Ų6438 Ų3830%0.29621%0.205SC..EExtended strand (participates in β ladder)trans-112.1136.2174.8-74.5-104.9000110.2Y185 H224H183-Y185 HydrophobicContact CB-CE2 4.2Å; H183-H224 HydrophobicContact CB-CB 4.33Å; H183-H224 PolarHBondContact N-O 2.95Å; H183-H224 PolarHBondContact O-N 3.4Å
184L95Very high92.8Very high2 Ų236.6 Ų36.61%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-110.2132.5179.6-68.473.7000108.2H165 S174 T175 L177 L182 T221 F223H165-L184 HydrophobicContact CB-CD2 4.34Å; S174-L184 CarbonylContact C-O 3.57Å; S174-L184 WeakPolarHBondContact CA-O 3.43Å; T175-L184 PolarHBondContact N-O 3.3Å; T175-L184 PolarHBondContact O-N 2.92Å; L177-L184 HydrophobicContact CB-CD1 3.7Å; L177-L184 HydrophobicContact CD1-CD1 4.2Å; L177-L184 HydrophobicContact CG-CD1 4.37Å; L182-L184 HydrophobicContact CD2-CD1 4.45Å; L182-L184 HydrophobicContact CG-CD1 4.28Å; L184-T221 HydrophobicContact CB-CG2 3.85Å; L184-T221 HydrophobicContact CD2-CG2 4.22Å; L184-T221 HydrophobicContact CG-CG2 4.17Å; L184-F223 HydrophobicContact CD2-CE1 4.38Å; L184-F223 HydrophobicContact CG-CD1 4.23Å; L184-F223 HydrophobicContact CG-CE1 4.19Å
185Y94.7Very high92.9Very high31 Ų3134.5 Ų34.512%0.12218%0.179CC..EExtended strand (participates in β ladder)trans-118.5123.5170.2-62.4-96.7000108.7P173 S174 H183 I188 T221 V222 H224 V246 L248 P249P173-Y185 WeakPolarHBondContact O-CA 3.2Å; S174-Y185 WeakPolarHBondContact OG-CE1 3.23Å; H183-Y185 HydrophobicContact CB-CE2 4.2Å; Y185-I188 WeakPolarHBondContact O-CD1 3.11Å; Y185-T221 CarbonylContact O-C 3.57Å; Y185-T221 VanDerWaalsContact O-CA 3.23Å; Y185-T221 WeakPolarHBondContact O-CA 3.17Å; Y185-T221 WeakPolarHBondContact O-CG2 3.24Å; Y185-V222 HydrophobicContact CD2-CG2 4.45Å; Y185-V222 PolarHBondContact N-O 3.48Å; Y185-V222 PolarHBondContact O-N 2.96Å; Y185-H224 HydrophobicContact CD2-CB 4.18Å; Y185-H224 HydrophobicContact CE2-CB 3.69Å; Y185-V246 HydrophobicContact CD1-CG1 4.39Å; Y185-V246 HydrophobicContact CE1-CG1 4.34Å; Y185-L248 HydrophobicContact CD1-CD2 3.78Å; Y185-L248 HydrophobicContact CD2-CD2 4.15Å; Y185-L248 HydrophobicContact CE1-CD2 4.44Å; Y185-L248 HydrophobicContact CG-CD2 3.61Å; Y185-P249 HydrophobicContact CE2-CG 3.96Å; Y185-P249 WeakPolarHBondContact OH-CG 2.98Å
186N94.3Very high93Very high4 Ų432.9 Ų32.92%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-108.4160.2-163.8-66.4-48.4000112H165 A167 S172 P173 W220 T221H165-N186 PolarHBondContact NE2-OD1 2.78Å; A167-N186 HydrophobicContact CB-CB 3.7Å; S172-N186 PolarHBondContact O-ND2 3.48Å; P173-N186 PolarHBondContact O-N 2.85Å; N186-W220 CarbonylContact C-O 3.52Å; N186-T221 VanDerWaalsContact OD1-CG2 3.3Å; N186-T221 WeakPolarHBondContact OD1-CG2 3.35Å; N186-T221 PolarHBondContact OD1-OG1 3.46Å
187N92.1Very high92.9Very high46 Ų4629.1 Ų29.125%0.24616%0.157CC..EExtended strand (participates in β ladder)trans5751.8175.4-60.8-37.2000112.9A167 N168 E218 W220A167-N187 WeakPolarHBondContact CB-OD1 3.3Å; N168-N187 PolarHBondContact O-ND2 2.96Å; N187-E218 CarbonylContact C-O 3.02Å; N187-E218 WeakPolarHBondContact CA-O 3.34Å; N187-W220 PolarHBondContact N-O 3.12Å
188I91.3Very high92.8Very high5 Ų535 Ų353%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-107.2133.9-178.9-58.2168.8000110.1Y185 L190 E218 W220 V222 L238 L248Y185-I188 WeakPolarHBondContact O-CD1 3.11Å; I188-L190 HydrophobicContact CB-CD2 4.47Å; I188-L190 HydrophobicContact CG2-CD2 3.58Å; I188-L190 HydrophobicContact CG2-CG 4.07Å; I188-E218 PolarHBondContact N-O 2.93Å; I188-W220 PolarHBondContact N-O 3.41Å; I188-W220 VanDerWaalsContact N-O 3.08Å; I188-W220 WeakPolarHBondContact O-CB 3.46Å; I188-V222 HydrophobicContact CD1-CB 4.32Å; I188-V222 HydrophobicContact CD1-CG1 4.07Å; I188-V222 HydrophobicContact CD1-CG2 3.46Å; I188-V222 VanDerWaalsContact CD1-CG2 3.46Å; I188-L238 HydrophobicContact CG2-CD1 3.43Å; I188-L238 VanDerWaalsContact CG2-CD1 3.43Å; I188-L248 HydrophobicContact CD1-CD1 4.16Å; I188-L248 HydrophobicContact CD1-CD2 3.81Å
189A92Very high92.8Very high12 Ų1227.7 Ų27.710%0.09915%0.154CC..  trans-83.4124.616900000110.2E218 Q239A189-E218 HydrophobicContact CB-CG 4.16Å; A189-Q239 HydrophobicContact CB-CB 4.02Å; A189-Q239 WeakPolarHBondContact O-CB 3.46Å; A189-Q239 PolarHBondContact O-N 2.91Å
190L93.8Very high92.9Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-121.8153.8-173-62.3174.2000111.1I188 L215 W220 V222 T236 E237 T256I188-L190 HydrophobicContact CB-CD2 4.47Å; I188-L190 HydrophobicContact CG2-CD2 3.58Å; I188-L190 HydrophobicContact CG2-CG 4.07Å; L190-L215 HydrophobicContact CB-CB 4.34Å; L190-L215 HydrophobicContact CB-CD1 4.49Å; L190-L215 HydrophobicContact CB-CD2 3.98Å; L190-L215 HydrophobicContact CD1-CD2 4.47Å; L190-L215 PolarHBondContact O-N 2.87Å; L190-W220 HydrophobicContact CD1-CB 3.56Å; L190-W220 HydrophobicContact CD1-CD2 4.06Å; L190-W220 HydrophobicContact CD1-CE3 4.08Å; L190-W220 HydrophobicContact CD1-CG 3.84Å; L190-W220 HydrophobicContact CG-CB 4.18Å; L190-W220 HydrophobicContact CG-CG 4.42Å; L190-V222 HydrophobicContact CD1-CG1 3.83Å; L190-V222 HydrophobicContact CD2-CG1 4.03Å; L190-T236 HydrophobicContact CD1-CG2 4.5Å; L190-E237 WeakPolarHBondContact CA-O 3.22Å; L190-T256 HydrophobicContact CD1-CG2 3.4Å
191K93.8Very high92.8Very high51 Ų5127.9 Ų27.922%0.22215%0.147CC..EExtended strand (participates in β ladder)trans-140.5166.5173.266.6-179.9-173.185.20110.2G213 E237 L238K191-G213 CarbonylContact C-O 3.5Å; K191-G213 VanDerWaalsContact CA-O 3.25Å; K191-G213 WeakPolarHBondContact CA-O 3.48Å; K191-G213 WeakPolarHBondContact CB-O 3.39Å; K191-E237 HydrophobicContact CG-CB 4.04Å; K191-E237 PolarHBondContact N-O 2.69Å; K191-E237 IonicContact NZ-OE2 3.91Å; K191-E237 PolarHBondContact NZ-OE2 3.32Å; K191-E237 PolarHBondContact O-N 3.18Å; K191-E237 VanDerWaalsContact O-O 3.11Å; K191-L238 WeakPolarHBondContact CE-O 3.35Å
192D92.9Very high92.9Very high26 Ų2628 Ų2814%0.13915%0.146CC..EExtended strand (participates in β ladder)trans52.890.4170.2-55-44.9000112.5F194 E211 K212 G213 T236 E237D192-F194 HydrophobicContact CB-CE2 4.02Å; D192-F194 HydrophobicContact CB-CZ 4.36Å; D192-F194 WeakPolarHBondContact O-CD2 3.31Å; D192-F194 WeakPolarHBondContact O-CE2 3.24Å; D192-E211 CarbonylContact C-O 3.57Å; D192-E211 VanDerWaalsContact CA-O 3.29Å; D192-E211 WeakPolarHBondContact CA-O 3.4Å; D192-K212 VanDerWaalsContact OD1-CA 3.23Å; D192-K212 WeakPolarHBondContact OD1-CA 3.19Å; D192-G213 PolarHBondContact N-O 3.37Å; D192-G213 PolarHBondContact OD1-N 3.43Å; D192-T236 WeakPolarHBondContact O-CA 3.23Å; D192-E237 HydrophobicContact CB-CB 4.46Å; D192-E237 PolarHBondContact O-N 3.32Å
193C93.9Very high92.9Very high0 Ų030.8 Ų30.80%016%0.157CC..EExtended strand (participates in β ladder)trans-95.3128.7-176.6-173.90000112.2V210 E211 L215 L235 T236 F278 L280C193-V210 CarbonylContact O-C 3.54Å; C193-V210 WeakPolarHBondContact O-CA 3.47Å; C193-E211 HydrophobicContact CB-CB 4.27Å; C193-E211 PolarHBondContact N-O 2.94Å; C193-E211 PolarHBondContact O-N 2.84Å; C193-L215 HydrophobicContact CB-CD1 4.28Å; C193-L235 CarbonylContact C-O 3.53Å; C193-L235 WeakPolarHBondContact CA-O 3.2Å; C193-T236 HydrophobicContact CB-CG2 4.1Å; C193-F278 HydrophobicContact CB-CE1 4.18Å; C193-F278 HydrophobicContact CB-CZ 4.09Å; C193-L280 HydrophobicContact CB-CD1 4.25Å
194F94.3Very high93Very high30 Ų3027.8 Ų27.813%0.13214%0.143CC..EExtended strand (participates in β ladder)trans-112.1126.8-178-57.1-98.6000110.6D192 R209 V210 L234 L235 E237 L253D192-F194 HydrophobicContact CB-CE2 4.02Å; D192-F194 HydrophobicContact CB-CZ 4.36Å; D192-F194 WeakPolarHBondContact O-CD2 3.31Å; D192-F194 WeakPolarHBondContact O-CE2 3.24Å; F194-R209 WeakPolarHBondContact CA-O 3.33Å; F194-V210 HydrophobicContact CD1-CB 4.31Å; F194-V210 HydrophobicContact CD1-CG1 4.03Å; F194-V210 HydrophobicContact CD1-CG2 3.54Å; F194-V210 HydrophobicContact CE1-CB 4.25Å; F194-V210 HydrophobicContact CE1-CG1 3.64Å; F194-V210 HydrophobicContact CE1-CG2 3.59Å; F194-V210 HydrophobicContact CZ-CG1 3.95Å; F194-L234 WeakPolarHBondContact O-CA 3.47Å; F194-L235 HydrophobicContact CB-CB 4.26Å; F194-L235 PolarHBondContact N-O 3.07Å; F194-L235 PolarHBondContact O-N 2.8Å; F194-E237 HydrophobicContact CE2-CG 4.14Å; F194-L253 HydrophobicContact CD2-CD2 3.84Å; F194-L253 HydrophobicContact CE2-CD2 3.73Å
195V94.6Very high93Very high4 Ų427.8 Ų27.82%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-86.2122.6172.2-174.10000109.4P197 L202 T205 A207 R209 L234 L280V195-P197 WeakPolarHBondContact O-CD 3.31Å; V195-L202 HydrophobicContact CG1-CD1 3.69Å; V195-L202 HydrophobicContact CG1-CD2 3.89Å; V195-L202 HydrophobicContact CG1-CG 4.48Å; V195-T205 HydrophobicContact CG1-CG2 4.09Å; V195-T205 HydrophobicContact CG2-CG2 4.31Å; V195-A207 HydrophobicContact CB-CB 4.16Å; V195-A207 HydrophobicContact CG1-CB 3.84Å; V195-R209 HydrophobicContact CB-CB 4.49Å; V195-R209 HydrophobicContact CG2-CB 4.08Å; V195-R209 PolarHBondContact N-O 3.47Å; V195-L234 HydrophobicContact CB-CD2 4.27Å; V195-L234 HydrophobicContact CG1-CD2 4.36Å; V195-L234 HydrophobicContact CG2-CD2 3.81Å; V195-L280 HydrophobicContact CG2-CD1 4.38Å; V195-L280 HydrophobicContact CG2-CD2 4.11Å
196N93.5Very high92.9Very high18 Ų1830.8 Ų30.810%0.09616%0.156CC..  trans-70.4108.6178178.81.9000111.1Q198 S199 L202 P232 V233N196-Q198 PolarHBondContact O-N 3.21Å; N196-Q198 PolarHBondContact OD1-N 3.4Å; N196-Q198 PolarHBondContact OD1-OE1 3.4Å; N196-S199 WeakPolarHBondContact O-CB 3.48Å; N196-S199 PolarHBondContact O-N 3.18Å; N196-S199 VanDerWaalsContact O-N 3.11Å; N196-L202 VanDerWaalsContact O-CD1 3.27Å; N196-L202 WeakPolarHBondContact O-CD1 3.22Å; N196-P232 PolarHBondContact ND2-O 3.39Å; N196-V233 WeakPolarHBondContact CB-O 3.13Å; N196-V233 PolarHBondContact N-O 3.22Å
197P90.1Very high92.4Very high56 Ų5632.2 Ų32.236%0.36417%0.169SC..THydrogen-bonded Turntrans-68.3-16.3-176.428.4-32.7000113.8V195 S199 A207 P208V195-P197 WeakPolarHBondContact O-CD 3.31Å; P197-S199 VanDerWaalsContact C-N 3.3Å; P197-A207 HydrophobicContact CB-CB 3.7Å; P197-P208 HydrophobicContact CG-CB 4.48Å
198Q88.7Confident91.4Very high130 Ų13034.7 Ų34.761%0.60719%0.187SC*.THydrogen-bonded Turntrans-82.6-5.1176.2-65.481.912.900113.3N196N196-Q198 PolarHBondContact O-N 3.21Å; N196-Q198 PolarHBondContact OD1-N 3.4Å; N196-Q198 PolarHBondContact OD1-OE1 3.4Å
199S91.3Very high90.6Very high8 Ų836.1 Ų36.16%0.05619%0.192CC..  trans-70123.1-179.8175.70000111.5N196 P197 L201 L202N196-S199 WeakPolarHBondContact O-CB 3.48Å; N196-S199 PolarHBondContact O-N 3.18Å; N196-S199 VanDerWaalsContact O-N 3.11Å; P197-S199 VanDerWaalsContact C-N 3.3Å; S199-L201 PolarHBondContact O-N 2.63Å; S199-L201 PolarHBondContact OG-N 2.57Å; S199-L202 PolarHBondContact O-N 3.37Å
200P89.3Confident90.2Very high64 Ų6437.8 Ų37.842%0.41620%0.202SC..THydrogen-bonded Turntrans-72.9-8.7179.332.8-37.2000113L202 F291P200-L202 VanDerWaalsContact C-N 3.29Å; P200-F291 HydrophobicContact CB-CE2 3.93Å; P200-F291 HydrophobicContact CB-CZ 4.42Å; P200-F291 HydrophobicContact CG-CE2 4.25Å; P200-F291 HydrophobicContact CG-CZ 4.29Å; P200-F291 VanDerWaalsContact O-CD2 3.26Å; P200-F291 WeakPolarHBondContact O-CD2 3.42Å; P200-F291 WeakPolarHBondContact O-CE2 3.5Å
201L91.6Very high89.8Confident1 Ų140.4 Ų40.41%0.00521%0.214CC..THydrogen-bonded Turntrans-67.6-30.7175.5-57.9-176.9000112.1S199 R203 V233 Q259 V270 D287 F291S199-L201 PolarHBondContact O-N 2.63Å; S199-L201 PolarHBondContact OG-N 2.57Å; L201-R203 PolarHBondContact O-N 3.18Å; L201-R203 VanDerWaalsContact O-N 3.16Å; L201-V233 HydrophobicContact CD1-CG1 4.18Å; L201-V233 HydrophobicContact CD1-CG2 3.61Å; L201-Q259 HydrophobicContact CD1-CB 4.21Å; L201-Q259 HydrophobicContact CD1-CG 4.5Å; L201-Q259 HydrophobicContact CD2-CG 4.32Å; L201-V270 HydrophobicContact CD1-CG1 4.24Å; L201-V270 HydrophobicContact CD1-CG2 3.66Å; L201-V270 HydrophobicContact CD2-CG2 4.08Å; L201-D287 WeakPolarHBondContact O-CB 3.24Å; L201-F291 HydrophobicContact CD2-CB 3.78Å; L201-F291 HydrophobicContact CD2-CD1 3.23Å; L201-F291 HydrophobicContact CD2-CD2 4.02Å; L201-F291 HydrophobicContact CD2-CE1 3.75Å; L201-F291 HydrophobicContact CD2-CE2 4.45Å; L201-F291 HydrophobicContact CD2-CG 3.39Å; L201-F291 HydrophobicContact CD2-CZ 4.33Å
202L94.6Very high89.6Confident35 Ų3546.4 Ų46.418%0.18324%0.24CC..  trans-68.5115.6-168.3-53.3-177.7000110.5V195 N196 S199 P200 T205 A207 V233 I284V195-L202 HydrophobicContact CG1-CD1 3.69Å; V195-L202 HydrophobicContact CG1-CD2 3.89Å; V195-L202 HydrophobicContact CG1-CG 4.48Å; N196-L202 VanDerWaalsContact O-CD1 3.27Å; N196-L202 WeakPolarHBondContact O-CD1 3.22Å; S199-L202 PolarHBondContact O-N 3.37Å; P200-L202 VanDerWaalsContact C-N 3.29Å; L202-T205 HydrophobicContact CD2-CG2 4.4Å; L202-A207 HydrophobicContact CD1-CB 3.73Å; L202-V233 HydrophobicContact CD2-CG1 4.47Å; L202-I284 HydrophobicContact CD2-CD1 3.54Å
203R94.8Very high89.5Confident59 Ų5946.5 Ų46.522%0.22325%0.247CC..SBendtrans-126-54.1177176.2-177172.6-114-5.9110.3L201 D287 S290 L299 L301 N546L201-R203 PolarHBondContact O-N 3.18Å; L201-R203 VanDerWaalsContact O-N 3.16Å; R203-D287 WeakPolarHBondContact CB-OD1 3.43Å; R203-D287 PolarHBondContact N-OD1 2.92Å; R203-D287 PolarHBondContact N-OD2 3.43Å; R203-S290 VanDerWaalsContact CD-OG 3.31Å; R203-S290 WeakPolarHBondContact CD-OG 3.37Å; R203-S290 PolarHBondContact NH1-OG 2.86Å; R203-L299 VanDerWaalsContact CZ-O 3.32Å; R203-L299 PolarHBondContact NH1-O 3.3Å; R203-L299 PolarHBondContact NH2-O 3.47Å; R203-L301 HydrophobicContact CG-CD2 4.42Å; R203-N546 WeakPolarHBondContact O-CB 3.35Å; R203-N546 PolarHBondContact O-ND2 3.25Å
204I96.1Very high89.4Confident2 Ų251.1 Ų51.11%0.0128%0.277CS..SBendtrans-85.2-43.6175.5-59.2174.5000109.3L283 I286 D287 L301 L510 T545 N546 L547I204-L283 HydrophobicContact CG2-CD2 3.83Å; I204-I286 HydrophobicContact CD1-CB 4.44Å; I204-I286 HydrophobicContact CD1-CG2 3.56Å; I204-D287 WeakPolarHBondContact CB-OD1 3.5Å; I204-D287 WeakPolarHBondContact CG1-OD1 3.41Å; I204-D287 PolarHBondContact N-OD1 3.3Å; I204-D287 PolarHBondContact N-OD2 2.92Å; I204-L301 HydrophobicContact CG1-CD2 3.97Å; I204-L510 HydrophobicContact CD1-CD1 4.36Å; I204-L510 HydrophobicContact CG2-CD1 3.82Å; I204-T545 HydrophobicContact CG2-CG2 4.25Å; I204-T545 CarbonylContact O-C 3.28Å; I204-T545 WeakPolarHBondContact O-CA 3.43Å; I204-T545 VanDerWaalsContact O-CB 3.3Å; I204-T545 WeakPolarHBondContact O-CB 3.45Å; I204-N546 PolarHBondContact O-N 2.71Å; I204-L547 HydrophobicContact CG2-CD1 4.34Å; I204-L547 HydrophobicContact CG2-CD2 3.98Å; I204-L547 HydrophobicContact CG2-CG 3.97Å
205T95.8Very high89.3Confident2 Ų250.1 Ų50.11%0.01227%0.273CS..BIsolated β-bridgetrans-69.6136.1-177.7-47.80000110.8V195 L202 L280 I284 D287 N546V195-T205 HydrophobicContact CG1-CG2 4.09Å; V195-T205 HydrophobicContact CG2-CG2 4.31Å; L202-T205 HydrophobicContact CD2-CG2 4.4Å; T205-L280 HydrophobicContact CG2-CD2 4.4Å; T205-I284 HydrophobicContact CG2-CD1 4.05Å; T205-D287 WeakPolarHBondContact CB-OD2 3.43Å; T205-D287 PolarHBondContact N-OD2 3.26Å; T205-D287 PolarHBondContact OG1-OD2 2.97Å; T205-N546 PolarHBondContact O-ND2 3.38Å
206K92Very high89.2Confident93 Ų9352.8 Ų52.840%0.40429%0.29SS..  trans-98.6144.1177-162.4176.5-173.9-1790111S544K206-S544 PolarHBondContact N-O 3.47Å
207A84.6Confident89Confident34 Ų3454 Ų5428%0.28131%0.308SS..SBendtrans-141.2158.1-179.600000111.9V195 P197 L202V195-A207 HydrophobicContact CB-CB 4.16Å; V195-A207 HydrophobicContact CG1-CB 3.84Å; P197-A207 HydrophobicContact CB-CB 3.7Å; L202-A207 HydrophobicContact CD1-CB 3.73Å
208P70Confident88.9Confident98 Ų9856.1 Ų56.164%0.63631%0.312SS*.SBendcis-71138.9-6.631.5-33.6000110.3P197P197-P208 HydrophobicContact CG-CB 4.48Å
209R75.8Confident89.1Confident35 Ų3551.9 Ų51.913%0.13229%0.294CS..  trans-130.7135.8173.2179.2176.4178158.93.2108.8F194 V195 E211 W279 F540 S544F194-R209 WeakPolarHBondContact CA-O 3.33Å; V195-R209 HydrophobicContact CB-CB 4.49Å; V195-R209 HydrophobicContact CG2-CB 4.08Å; V195-R209 PolarHBondContact N-O 3.47Å; R209-E211 IonicContact CZ-OE2 3.7Å; R209-E211 IonicContact NE-OE2 2.97Å; R209-E211 IonicContact NH2-OE2 3.79Å; R209-E211 PolarHBondContact NH2-OE2 3.24Å; R209-W279 VanDerWaalsContact NH2-CH2 3.31Å; R209-F540 VanDerWaalsContact NH2-CE2 3.29Å; R209-S544 PolarHBondContact NH1-OG 3.08Å
210V82.5Confident89.3Confident48 Ų4851.5 Ų51.529%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-114.4114.9171.9-170.20000108.3L55 C193 F194 K212L55-V210 HydrophobicContact CD1-CG2 4.14Å; C193-V210 CarbonylContact O-C 3.54Å; C193-V210 WeakPolarHBondContact O-CA 3.47Å; F194-V210 HydrophobicContact CD1-CB 4.31Å; F194-V210 HydrophobicContact CD1-CG1 4.03Å; F194-V210 HydrophobicContact CD1-CG2 3.54Å; F194-V210 HydrophobicContact CE1-CB 4.25Å; F194-V210 HydrophobicContact CE1-CG1 3.64Å; F194-V210 HydrophobicContact CE1-CG2 3.59Å; F194-V210 HydrophobicContact CZ-CG1 3.95Å; V210-K212 HydrophobicContact CG1-CG 4Å
211E86.1Confident89.6Confident54 Ų5448.5 Ų48.525%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-90.8102.3167.8-173.275.9168.900108D192 C193 R209 F278 W279 L280D192-E211 CarbonylContact C-O 3.57Å; D192-E211 VanDerWaalsContact CA-O 3.29Å; D192-E211 WeakPolarHBondContact CA-O 3.4Å; C193-E211 HydrophobicContact CB-CB 4.27Å; C193-E211 PolarHBondContact N-O 2.94Å; C193-E211 PolarHBondContact O-N 2.84Å; R209-E211 IonicContact CZ-OE2 3.7Å; R209-E211 IonicContact NE-OE2 2.97Å; R209-E211 IonicContact NH2-OE2 3.79Å; R209-E211 PolarHBondContact NH2-OE2 3.24Å; E211-F278 HydrophobicContact CG-CE2 4.4Å; E211-F278 HydrophobicContact CG-CZ 4.29Å; E211-W279 HydrophobicContact CG-CZ2 4.31Å; E211-W279 PolarHBondContact OE1-NE1 3.25Å; E211-W279 WeakPolarHBondContact OE2-CZ2 3.45Å; E211-L280 HydrophobicContact CB-CD1 4.1Å
212K89.6Confident89.8Confident177 Ų17748.5 Ų48.577%0.7727%0.272SS*.EExtended strand (participates in β ladder)trans-78.5146-176.7-67.3-173.2178.5-177.80112D192 V210D192-K212 VanDerWaalsContact OD1-CA 3.23Å; D192-K212 WeakPolarHBondContact OD1-CA 3.19Å; V210-K212 HydrophobicContact CG1-CG 4Å
213G90.4Very high89.9Confident28 Ų2847.3 Ų47.329%0.28927%0.265SS..EExtended strand (participates in β ladder)trans107.3179.2176.100000114.1K191 D192K191-G213 CarbonylContact C-O 3.5Å; K191-G213 VanDerWaalsContact CA-O 3.25Å; K191-G213 WeakPolarHBondContact CA-O 3.48Å; K191-G213 WeakPolarHBondContact CB-O 3.39Å; D192-G213 PolarHBondContact N-O 3.37Å; D192-G213 PolarHBondContact OD1-N 3.43Å
214P91.9Very high89.8Confident97 Ų9748.1 Ų48.163%0.6327%0.271SS*.EExtended strand (participates in β ladder)trans-68.6139.5-17829-34.3000111.6
215L92.8Very high89.7Confident10 Ų1049.1 Ų49.15%0.05228%0.276CS..PPolyproline II helixtrans-74153.3170.2-84.565.7000109.7L190 C193 G217 W220 T236 F278L190-L215 HydrophobicContact CB-CB 4.34Å; L190-L215 HydrophobicContact CB-CD1 4.49Å; L190-L215 HydrophobicContact CB-CD2 3.98Å; L190-L215 HydrophobicContact CD1-CD2 4.47Å; L190-L215 PolarHBondContact O-N 2.87Å; C193-L215 HydrophobicContact CB-CD1 4.28Å; L215-G217 PolarHBondContact O-N 3.31Å; L215-W220 HydrophobicContact CB-CZ2 3.92Å; L215-W220 HydrophobicContact CD2-CD2 4.15Å; L215-W220 HydrophobicContact CD2-CE3 4.12Å; L215-W220 HydrophobicContact CD2-CH2 3.78Å; L215-W220 HydrophobicContact CD2-CZ2 3.8Å; L215-W220 HydrophobicContact CD2-CZ3 3.9Å; L215-W220 HydrophobicContact CG-CZ2 4.22Å; L215-T236 HydrophobicContact CD2-CG2 3.75Å; L215-F278 HydrophobicContact CD2-CE1 4.44Å; L215-F278 HydrophobicContact CG-CE1 4.5Å; L215-F278 HydrophobicContact CG-CZ 4.43Å
216P91.6Very high89.3Confident59 Ų5956.5 Ų56.538%0.38332%0.315SS..SBendtrans-68.7122.7-177.726.4-33.6000111.2W220 F278P216-W220 HydrophobicContact CG-CZ2 4.16Å; P216-W220 PolarHBondContact O-NE1 3.34Å; P216-F278 HydrophobicContact CG-CB 4.03Å; P216-F278 HydrophobicContact CG-CD2 4.24Å; P216-F278 HydrophobicContact CG-CG 4.46Å
217G89.8Confident89.3Confident45 Ų4555.2 Ų55.246%0.46431%0.31SS..  trans81.2-178.8176.900000114.6L215L215-G217 PolarHBondContact O-N 3.31Å
218E88.6Confident89.6Confident99 Ų9956.9 Ų56.946%0.46332%0.32SS..SBendtrans-126.87-175-63.6172.3-137.700111.8N187 I188 A189 W220 R242N187-E218 CarbonylContact C-O 3.02Å; N187-E218 WeakPolarHBondContact CA-O 3.34Å; I188-E218 PolarHBondContact N-O 2.93Å; A189-E218 HydrophobicContact CB-CG 4.16Å; E218-W220 VanDerWaalsContact C-N 3.29Å; E218-W220 PolarHBondContact O-N 2.78Å; E218-R242 IonicContact OE1-CZ 3.68Å; E218-R242 IonicContact OE1-NH1 3.56Å; E218-R242 PolarHBondContact OE1-NH1 2.86Å; E218-R242 IonicContact OE1-NH2 3.8Å; E218-R242 IonicContact OE2-CZ 2.97Å; E218-R242 IonicContact OE2-NH1 2.89Å; E218-R242 PolarHBondContact OE2-NH1 3.18Å
219D92.2Very high90.7Very high42 Ų4252.2 Ų52.223%0.22529%0.289CS..  trans-94.824.9-175.954.60.5000112.4K166 A167 N274K166-D219 VanDerWaalsContact CE-CG 3.46Å; K166-D219 WeakPolarHBondContact CE-OD2 3.13Å; K166-D219 IonicContact NZ-OD2 3.01Å; K166-D219 PolarHBondContact NZ-OD2 2.99Å; A167-D219 WeakPolarHBondContact CB-O 3.4Å; A167-D219 PolarHBondContact N-O 3.33Å; D219-N274 PolarHBondContact OD1-ND2 2.93Å
220W94.9Very high91.6Very high0 Ų051 Ų510%029%0.285CS..EExtended strand (participates in β ladder)trans-76.1147.5-179.7-6877000112.1N186 N187 I188 L190 L215 P216 E218 T256 N274 F278 H281N186-W220 CarbonylContact C-O 3.52Å; N187-W220 PolarHBondContact N-O 3.12Å; I188-W220 PolarHBondContact N-O 3.41Å; I188-W220 VanDerWaalsContact N-O 3.08Å; I188-W220 WeakPolarHBondContact O-CB 3.46Å; L190-W220 HydrophobicContact CD1-CB 3.56Å; L190-W220 HydrophobicContact CD1-CD2 4.06Å; L190-W220 HydrophobicContact CD1-CE3 4.08Å; L190-W220 HydrophobicContact CD1-CG 3.84Å; L190-W220 HydrophobicContact CG-CB 4.18Å; L190-W220 HydrophobicContact CG-CG 4.42Å; L215-W220 HydrophobicContact CB-CZ2 3.92Å; L215-W220 HydrophobicContact CD2-CD2 4.15Å; L215-W220 HydrophobicContact CD2-CE3 4.12Å; L215-W220 HydrophobicContact CD2-CH2 3.78Å; L215-W220 HydrophobicContact CD2-CZ2 3.8Å; L215-W220 HydrophobicContact CD2-CZ3 3.9Å; L215-W220 HydrophobicContact CG-CZ2 4.22Å; P216-W220 HydrophobicContact CG-CZ2 4.16Å; P216-W220 PolarHBondContact O-NE1 3.34Å; E218-W220 VanDerWaalsContact C-N 3.29Å; E218-W220 PolarHBondContact O-N 2.78Å; W220-T256 HydrophobicContact CE3-CG2 3.91Å; W220-T256 HydrophobicContact CZ3-CG2 4.24Å; W220-N274 HydrophobicContact CD2-CB 3.93Å; W220-N274 VanDerWaalsContact CE2-ND2 3.27Å; W220-N274 HydrophobicContact CE3-CB 3.67Å; W220-N274 HydrophobicContact CH2-CB 4.04Å; W220-N274 HydrophobicContact CZ2-CB 4.28Å; W220-N274 HydrophobicContact CZ3-CB 3.76Å; W220-N274 PolarHBondContact NE1-ND2 2.99Å; W220-F278 HydrophobicContact CH2-CB 3.83Å; W220-F278 AromaticContact CH2-CD1 3.76Å; W220-F278 HydrophobicContact CH2-CD1 3.76Å; W220-F278 HydrophobicContact CH2-CG 4.05Å; W220-F278 HydrophobicContact CZ2-CB 4.06Å; W220-F278 HydrophobicContact CZ2-CD1 4.47Å; W220-F278 HydrophobicContact CZ2-CG 4.39Å; W220-H281 AromaticContact CH2-CE1 3.58Å; W220-H281 AromaticContact CH2-NE2 3.73Å; W220-H281 AromaticContact CZ3-CE1 3.23Å; W220-H281 WeakPolarHBondContact CZ3-CE1 3.47Å; W220-H281 AromaticContact CZ3-NE2 3.33Å; W220-H281 VanDerWaalsContact CZ3-NE2 3.33Å; W220-H281 WeakPolarHBondContact CZ3-NE2 3.48Å
221T95.9Very high92.2Very high0 Ų050.8 Ų50.80%028%0.281CS..EExtended strand (participates in β ladder)trans-112.2133.3169.9-53.90000109.8H165 L184 Y185 N186 G273H165-T221 PolarHBondContact CD2-OG1 3.37Å; L184-T221 HydrophobicContact CB-CG2 3.85Å; L184-T221 HydrophobicContact CD2-CG2 4.22Å; L184-T221 HydrophobicContact CG-CG2 4.17Å; Y185-T221 CarbonylContact O-C 3.57Å; Y185-T221 VanDerWaalsContact O-CA 3.23Å; Y185-T221 WeakPolarHBondContact O-CA 3.17Å; Y185-T221 WeakPolarHBondContact O-CG2 3.24Å; N186-T221 VanDerWaalsContact OD1-CG2 3.3Å; N186-T221 WeakPolarHBondContact OD1-CG2 3.35Å; N186-T221 PolarHBondContact OD1-OG1 3.46Å; T221-G273 WeakPolarHBondContact CA-O 3.34Å; T221-G273 WeakPolarHBondContact CB-O 3.27Å; T221-G273 PolarHBondContact N-O 3.3Å; T221-G273 WeakPolarHBondContact O-CA 3.33Å
222V95.9Very high92.7Very high1 Ų148.8 Ų48.81%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-108.6145.1170.1-54.80000110.8Y185 I188 L190 L248 Y254 A255 T256Y185-V222 HydrophobicContact CD2-CG2 4.45Å; Y185-V222 PolarHBondContact N-O 3.48Å; Y185-V222 PolarHBondContact O-N 2.96Å; I188-V222 HydrophobicContact CD1-CB 4.32Å; I188-V222 HydrophobicContact CD1-CG1 4.07Å; I188-V222 HydrophobicContact CD1-CG2 3.46Å; I188-V222 VanDerWaalsContact CD1-CG2 3.46Å; L190-V222 HydrophobicContact CD1-CG1 3.83Å; L190-V222 HydrophobicContact CD2-CG1 4.03Å; V222-L248 HydrophobicContact CG2-CD2 4.15Å; V222-Y254 HydrophobicContact CG2-CD1 4.1Å; V222-Y254 HydrophobicContact CG2-CG 4.48Å; V222-A255 CarbonylContact C-O 3.58Å; V222-A255 WeakPolarHBondContact CA-O 3.49Å; V222-T256 HydrophobicContact CG1-CG2 4.29Å
223F96Very high93Very high11 Ų1140.3 Ų40.35%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-99.3122.4-178.8-62-64.2000110.4L182 L184 F225 A255 T256 I258 L271L182-F223 HydrophobicContact CD1-CB 4.12Å; L182-F223 HydrophobicContact CD1-CD1 4.34Å; L182-F223 HydrophobicContact CD2-CD1 4.03Å; L182-F223 HydrophobicContact CD2-CE1 4.46Å; L182-F223 HydrophobicContact CG-CD1 4.38Å; L184-F223 HydrophobicContact CD2-CE1 4.38Å; L184-F223 HydrophobicContact CG-CD1 4.23Å; L184-F223 HydrophobicContact CG-CE1 4.19Å; F223-F225 HydrophobicContact CB-CD1 4.44Å; F223-A255 PolarHBondContact N-O 3.32Å; F223-T256 WeakPolarHBondContact CE2-O 3.44Å; F223-I258 HydrophobicContact CB-CD1 3.9Å; F223-I258 HydrophobicContact CB-CG1 4.41Å; F223-I258 HydrophobicContact CB-CG2 3.91Å; F223-I258 HydrophobicContact CD1-CD1 4.21Å; F223-I258 HydrophobicContact CD2-CD1 4.18Å; F223-I258 HydrophobicContact CD2-CG1 3.91Å; F223-I258 HydrophobicContact CD2-CG2 4.01Å; F223-I258 HydrophobicContact CE2-CG1 4.34Å; F223-I258 HydrophobicContact CG-CD1 3.84Å; F223-I258 HydrophobicContact CG-CG1 4.1Å; F223-I258 HydrophobicContact CG-CG2 4.28Å; F223-L271 HydrophobicContact CE1-CB 4.46Å; F223-L271 HydrophobicContact CE2-CB 4.27Å; F223-L271 WeakPolarHBondContact CE2-O 3.41Å; F223-L271 HydrophobicContact CZ-CB 3.97Å
224H94.4Very high93.3Very high75 Ų7539 Ų3935%0.34722%0.222SC..EExtended strand (participates in β ladder)trans-112.8128.4170.6179.3-91.1000109.8H183 Y185H183-H224 HydrophobicContact CB-CB 4.33Å; H183-H224 PolarHBondContact N-O 2.95Å; H183-H224 PolarHBondContact O-N 3.4Å; Y185-H224 HydrophobicContact CD2-CB 4.18Å; Y185-H224 HydrophobicContact CE2-CB 3.69Å
225F92.5Very high93.4Very high23 Ų2334.5 Ų34.510%0.10119%0.192CC..EExtended strand (participates in β ladder)trans-140.5142.3-176.746.7-88.7000110.5Y60 L182 F223 Y230 P232 A255 I258Y60-F225 HydrophobicContact CE1-CE2 4.44Å; L182-F225 HydrophobicContact CD1-CB 3.92Å; L182-F225 HydrophobicContact CD1-CD1 4.15Å; F223-F225 HydrophobicContact CB-CD1 4.44Å; F225-Y230 HydrophobicContact CB-CD2 3.49Å; F225-Y230 VanDerWaalsContact CB-CD2 3.49Å; F225-Y230 HydrophobicContact CB-CE2 4.22Å; F225-Y230 HydrophobicContact CB-CG 4.09Å; F225-Y230 HydrophobicContact CD1-CG 4.48Å; F225-Y230 VanDerWaalsContact CD2-CB 3.45Å; F225-Y230 HydrophobicContact CD2-CD2 4.36Å; F225-Y230 HydrophobicContact CD2-CG 4.34Å; F225-Y230 AromaticContact CG-CD2 3.96Å; F225-Y230 HydrophobicContact CG-CD2 3.96Å; F225-Y230 HydrophobicContact CG-CG 4.05Å; F225-P232 HydrophobicContact CZ-CB 4.5Å; F225-A255 HydrophobicContact CE1-CB 4.16Å; F225-I258 HydrophobicContact CD1-CD1 4.5Å; F225-I258 HydrophobicContact CD1-CG2 4.26Å; F225-I258 HydrophobicContact CE1-CG2 3.57Å; F225-I258 HydrophobicContact CZ-CG2 4.31Å
226N88.6Confident93.5Very high157 Ų15734 Ų3484%0.8419%0.19SC*.  trans-124.859171-170.812.8000108.8
227H91.3Very high93.6Very high67 Ų6734.3 Ų34.331%0.3119%0.186SC..SBendtrans-152.3138.8-178.1-168.7-93.3000110.3P181 T229 Y230P181-H227 HydrophobicContact CB-CB 3.97Å; P181-H227 HydrophobicContact CG-CB 3.83Å; H227-T229 VanDerWaalsContact ND1-CB 3.28Å; H227-T229 WeakPolarHBondContact ND1-CB 3.39Å; H227-T229 WeakPolarHBondContact ND1-CG2 3.29Å; H227-T229 PolarHBondContact ND1-N 2.87Å; H227-T229 VanDerWaalsContact ND1-N 3.18Å; H227-T229 PolarHBondContact O-N 2.94Å; H227-T229 VanDerWaalsContact O-N 3.11Å; H227-Y230 HydrophobicContact CB-CD2 4.33Å; H227-Y230 PolarHBondContact O-N 3.12Å
228S90.7Very high93.6Very high68 Ų6833.7 Ų33.748%0.47617%0.172SC..THydrogen-bonded Turntrans-71.7-4.9-17465.50000114.9Y230S228-Y230 VanDerWaalsContact C-N 3.29Å
229T93.6Very high93.6Very high0 Ų031.3 Ų31.30%016%0.161CC..THydrogen-bonded Turntrans-72.8-24.9176.2-156.10000112.2H227 D260 L261 G262 L263H227-T229 VanDerWaalsContact ND1-CB 3.28Å; H227-T229 WeakPolarHBondContact ND1-CB 3.39Å; H227-T229 WeakPolarHBondContact ND1-CG2 3.29Å; H227-T229 PolarHBondContact ND1-N 2.87Å; H227-T229 VanDerWaalsContact ND1-N 3.18Å; H227-T229 PolarHBondContact O-N 2.94Å; H227-T229 VanDerWaalsContact O-N 3.11Å; T229-D260 WeakPolarHBondContact CB-OD1 3.42Å; T229-D260 VanDerWaalsContact CG2-OD1 3.29Å; T229-D260 WeakPolarHBondContact CG2-OD1 3.45Å; T229-D260 PolarHBondContact OG1-OD1 3.41Å; T229-L261 WeakPolarHBondContact O-CB 3.18Å; T229-L261 WeakPolarHBondContact O-CG 3.23Å; T229-L261 PolarHBondContact O-N 2.91Å; T229-G262 PolarHBondContact OG1-N 3.17Å; T229-L263 PolarHBondContact OG1-N 3.15Å
230Y95.3Very high92.7Very high10 Ų1035 Ų354%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-99.1135.7-173.3-62.3-64.5000111.6P181 L182 F225 H227 S228 I258 Q259 D260P181-Y230 HydrophobicContact CG-CE2 3.98Å; L182-Y230 HydrophobicContact CB-CE2 4.11Å; L182-Y230 HydrophobicContact CD1-CD2 4.45Å; L182-Y230 HydrophobicContact CD1-CE2 4.22Å; F225-Y230 HydrophobicContact CB-CD2 3.49Å; F225-Y230 VanDerWaalsContact CB-CD2 3.49Å; F225-Y230 HydrophobicContact CB-CE2 4.22Å; F225-Y230 HydrophobicContact CB-CG 4.09Å; F225-Y230 HydrophobicContact CD1-CG 4.48Å; F225-Y230 VanDerWaalsContact CD2-CB 3.45Å; F225-Y230 HydrophobicContact CD2-CD2 4.36Å; F225-Y230 HydrophobicContact CD2-CG 4.34Å; F225-Y230 AromaticContact CG-CD2 3.96Å; F225-Y230 HydrophobicContact CG-CD2 3.96Å; F225-Y230 HydrophobicContact CG-CG 4.05Å; H227-Y230 HydrophobicContact CB-CD2 4.33Å; H227-Y230 PolarHBondContact O-N 3.12Å; S228-Y230 VanDerWaalsContact C-N 3.29Å; Y230-I258 HydrophobicContact CD1-CD1 3.73Å; Y230-I258 HydrophobicContact CE1-CD1 4.11Å; Y230-I258 HydrophobicContact CG-CD1 4.3Å; Y230-Q259 CarbonylContact C-O 3.55Å; Y230-Q259 VanDerWaalsContact CA-O 3.28Å; Y230-Q259 WeakPolarHBondContact CA-O 3.14Å; Y230-D260 HydrophobicContact CD1-CB 3.87Å; Y230-D260 HydrophobicContact CE1-CB 3.67Å
231Q94.8Very high91.1Very high44 Ų4439.5 Ų39.521%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-126.1132.7172.6-66.2-175.5-29.400109.4I258 Q259 L261Q231-I258 CarbonylContact O-C 3.56Å; Q231-I258 WeakPolarHBondContact O-CA 3.41Å; Q231-Q259 PolarHBondContact N-O 2.85Å; Q231-Q259 PolarHBondContact O-N 3.39Å; Q231-L261 HydrophobicContact CG-CD1 4.2Å
232P95.2Very high89.4Confident11 Ų1145.5 Ų45.57%0.07124%0.239CC..EExtended strand (participates in β ladder)trans-70.4143.3176.529.6-32.6000110.5Y60 N196 F225 L235 A255Y60-P232 HydrophobicContact CE2-CG 4.37Å; N196-P232 PolarHBondContact ND2-O 3.39Å; F225-P232 HydrophobicContact CZ-CB 4.5Å; P232-L235 HydrophobicContact CB-CD1 4.33Å; P232-L235 HydrophobicContact CB-CD2 3.72Å; P232-L235 HydrophobicContact CB-CG 3.97Å; P232-L235 HydrophobicContact CG-CD1 4.39Å; P232-L235 HydrophobicContact CG-CD2 4.32Å; P232-A255 HydrophobicContact CB-CB 4.06Å
233V96.4Very high87.9Confident0 Ų051.7 Ų51.70%028%0.279CS..EExtended strand (participates in β ladder)trans-112.8-48.2176.1-177.90000109.9N196 L201 L202 V257 Q259 I284N196-V233 WeakPolarHBondContact CB-O 3.13Å; N196-V233 PolarHBondContact N-O 3.22Å; L201-V233 HydrophobicContact CD1-CG1 4.18Å; L201-V233 HydrophobicContact CD1-CG2 3.61Å; L202-V233 HydrophobicContact CD2-CG1 4.47Å; V233-V257 HydrophobicContact CB-CB 4.14Å; V233-V257 HydrophobicContact CB-CG1 3.94Å; V233-V257 HydrophobicContact CG1-CG1 4.37Å; V233-V257 HydrophobicContact CG2-CG1 4.33Å; V233-V257 PolarHBondContact N-O 3.32Å; V233-Q259 HydrophobicContact CG2-CB 4.05Å; V233-I284 HydrophobicContact CG1-CD1 3.98Å; V233-I284 HydrophobicContact CG1-CG1 4.47Å; V233-I284 HydrophobicContact CG1-CG2 3.8Å
234L96.5Very high86.7Confident0 Ų054.7 Ų54.70%030%0.295CS..EExtended strand (participates in β ladder)trans-117.6133.6170.5-63.5-173.8000109.5F194 V195 A255 T256 V257 L280 I284F194-L234 WeakPolarHBondContact O-CA 3.47Å; V195-L234 HydrophobicContact CB-CD2 4.27Å; V195-L234 HydrophobicContact CG1-CD2 4.36Å; V195-L234 HydrophobicContact CG2-CD2 3.81Å; L234-A255 WeakPolarHBondContact O-CA 3.36Å; L234-T256 WeakPolarHBondContact CB-OG1 3.39Å; L234-T256 PolarHBondContact O-N 2.83Å; L234-V257 HydrophobicContact CB-CB 4.01Å; L234-V257 HydrophobicContact CB-CG2 4.08Å; L234-V257 HydrophobicContact CD1-CB 4.4Å; L234-V257 HydrophobicContact CD1-CG2 3.73Å; L234-V257 HydrophobicContact CG-CB 4.09Å; L234-V257 HydrophobicContact CG-CG2 3.98Å; L234-V257 PolarHBondContact N-O 3.44Å; L234-L280 HydrophobicContact CD1-CB 4.21Å; L234-I284 HydrophobicContact CD1-CG1 4.01Å; L234-I284 HydrophobicContact CD2-CD1 4.26Å; L234-I284 HydrophobicContact CD2-CG1 3.99Å; L234-I284 HydrophobicContact CG-CG1 4.04Å
235L95.6Very high85.3Confident2 Ų254.6 Ų54.61%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-121.7146179.5-72165.2000109.1L58 C193 F194 P232 L253 Y254 A255L58-L235 HydrophobicContact CD2-CD1 3.92Å; C193-L235 CarbonylContact C-O 3.53Å; C193-L235 WeakPolarHBondContact CA-O 3.2Å; F194-L235 HydrophobicContact CB-CB 4.26Å; F194-L235 PolarHBondContact N-O 3.07Å; F194-L235 PolarHBondContact O-N 2.8Å; P232-L235 HydrophobicContact CB-CD1 4.33Å; P232-L235 HydrophobicContact CB-CD2 3.72Å; P232-L235 HydrophobicContact CB-CG 3.97Å; P232-L235 HydrophobicContact CG-CD1 4.39Å; P232-L235 HydrophobicContact CG-CD2 4.32Å; L235-L253 HydrophobicContact CB-CB 4.19Å; L235-L253 HydrophobicContact CB-CD1 4.29Å; L235-L253 HydrophobicContact CD1-CD1 4.32Å; L235-L253 HydrophobicContact CD2-CB 4.22Å; L235-Y254 CarbonylContact C-O 3.48Å; L235-Y254 WeakPolarHBondContact CA-O 3.3Å; L235-A255 HydrophobicContact CD2-CB 4.08Å
236T94.7Very high84.4Confident0 Ų056.2 Ų56.20%031%0.313CS..EExtended strand (participates in β ladder)trans-142154-176.256.50000111.8L190 D192 C193 L215 L253 Y254 T256L190-T236 HydrophobicContact CD1-CG2 4.5Å; D192-T236 WeakPolarHBondContact O-CA 3.23Å; C193-T236 HydrophobicContact CB-CG2 4.1Å; L215-T236 HydrophobicContact CD2-CG2 3.75Å; T236-L253 WeakPolarHBondContact O-CA 3.25Å; T236-Y254 PolarHBondContact N-O 2.84Å; T236-Y254 PolarHBondContact O-N 3.4Å; T236-Y254 PolarHBondContact OG1-O 3.27Å; T236-T256 HydrophobicContact CG2-CG2 3.73Å
237E93.1Very high83.9Confident65 Ų6557.4 Ų57.430%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-87.1156.1169-72.8179.8-159.100112.1L190 K191 D192 F194 L253L190-E237 WeakPolarHBondContact CA-O 3.22Å; K191-E237 HydrophobicContact CG-CB 4.04Å; K191-E237 PolarHBondContact N-O 2.69Å; K191-E237 IonicContact NZ-OE2 3.91Å; K191-E237 PolarHBondContact NZ-OE2 3.32Å; K191-E237 PolarHBondContact O-N 3.18Å; K191-E237 VanDerWaalsContact O-O 3.11Å; D192-E237 HydrophobicContact CB-CB 4.46Å; D192-E237 PolarHBondContact O-N 3.32Å; F194-E237 HydrophobicContact CE2-CG 4.14Å; E237-L253 HydrophobicContact CG-CD2 3.69Å
238L90.6Very high83.4Confident33 Ų3355.3 Ų55.317%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-76.5139171.6-174.471000110.9I188 K191 T240 L244 L248 Y254I188-L238 HydrophobicContact CG2-CD1 3.43Å; I188-L238 VanDerWaalsContact CG2-CD1 3.43Å; K191-L238 WeakPolarHBondContact CE-O 3.35Å; L238-T240 PolarHBondContact O-N 3.02Å; L238-T240 VanDerWaalsContact O-N 3.17Å; L238-L244 HydrophobicContact CD1-CD2 3.73Å; L238-L244 HydrophobicContact CD2-CD1 3.78Å; L238-L244 HydrophobicContact CD2-CD2 4.01Å; L238-L244 HydrophobicContact CD2-CG 4.13Å; L238-L244 HydrophobicContact CG-CD2 4.49Å; L238-L248 HydrophobicContact CD1-CD1 4.11Å; L238-Y254 HydrophobicContact CB-CE2 4.3Å
239Q87.8Confident82.9Confident48 Ų4853.7 Ų53.722%0.22429%0.293CS..  trans-79.596.1168.8-167.6172.35.700110.4A189 S241A189-Q239 HydrophobicContact CB-CB 4.02Å; A189-Q239 WeakPolarHBondContact O-CB 3.46Å; A189-Q239 PolarHBondContact O-N 2.91Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.72Å; Q239-S241 VanDerWaalsContact O-N 3.16Å
240T72.3Confident82.1Confident120 Ų12064.1 Ų64.174%0.73634%0.338SS*.THydrogen-bonded Turntrans-68.6-9.9-169.5480000116.3L238 R242L238-T240 PolarHBondContact O-N 3.02Å; L238-T240 VanDerWaalsContact O-N 3.17Å; T240-R242 PolarHBondContact O-N 2.84Å
241S62.4Low81.3Confident94 Ų9466 Ų6666%0.65736%0.355SS*.THydrogen-bonded Turntrans-80.13.6-176.157.20000114.7Q239Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 2.72Å; Q239-S241 VanDerWaalsContact O-N 3.16Å
242R60.9Low80.7Confident127 Ų12769.8 Ų69.848%0.47937%0.373SS..SBendtrans-134.8146.6-175.2-66.7-169.3-178.9-163.99.2113.4E218 T240E218-R242 IonicContact OE1-CZ 3.68Å; E218-R242 IonicContact OE1-NH1 3.56Å; E218-R242 PolarHBondContact OE1-NH1 2.86Å; E218-R242 IonicContact OE1-NH2 3.8Å; E218-R242 IonicContact OE2-CZ 2.97Å; E218-R242 IonicContact OE2-NH1 2.89Å; E218-R242 PolarHBondContact OE2-NH1 3.18Å; T240-R242 PolarHBondContact O-N 2.84Å
243P63Low80.5Confident130 Ų13070 Ų7084%0.84437%0.374SS*.  trans-65.6133178.824.9-31.4000111.3
244L70.8Confident80.4Confident74 Ų7471.5 Ų71.539%0.38738%0.38SS..  trans-78.3141.6178.2-79.4167.5000111.4L238 V246 L248L238-L244 HydrophobicContact CD1-CD2 3.73Å; L238-L244 HydrophobicContact CD2-CD1 3.78Å; L238-L244 HydrophobicContact CD2-CD2 4.01Å; L238-L244 HydrophobicContact CD2-CG 4.13Å; L238-L244 HydrophobicContact CG-CD2 4.49Å; L244-V246 VanDerWaalsContact C-N 3.27Å; L244-V246 PolarHBondContact O-N 2.78Å; L244-L248 HydrophobicContact CD1-CD1 4.12Å; L244-L248 HydrophobicContact CD2-CD1 3.64Å
245P64.9Low80.4Confident74 Ų7471.6 Ų71.648%0.48138%0.38SS..SBendtrans-64.8-29.7172.8-19.930.9000113.5P173P173-P245 HydrophobicContact CB-CB 4.28Å
246V73.9Confident80.4Confident56 Ų5671.5 Ų71.534%0.33938%0.38SS..SBendtrans-150.1150.5-176.5164.20000110.4P173 Y185 L244 L248P173-V246 HydrophobicContact CB-CB 4.28Å; P173-V246 HydrophobicContact CB-CG2 3.34Å; P173-V246 HydrophobicContact CG-CG2 4.26Å; Y185-V246 HydrophobicContact CD1-CG1 4.39Å; Y185-V246 HydrophobicContact CE1-CG1 4.34Å; L244-V246 VanDerWaalsContact C-N 3.27Å; L244-V246 PolarHBondContact O-N 2.78Å; V246-L248 PolarHBondContact O-N 2.79Å
247E77.6Confident80.6Confident182 Ų18271.5 Ų71.585%0.8538%0.38SS*.  trans-62114.6169.1-77.1-171.4153.900111.3
248L80.9Confident80.8Confident24 Ų2468.4 Ų68.413%0.12637%0.365CS..  trans-79.4149.1174.7-75.6161.7000110.9Y185 I188 V222 L238 L244 V246 K250 Y254Y185-L248 HydrophobicContact CD1-CD2 3.78Å; Y185-L248 HydrophobicContact CD2-CD2 4.15Å; Y185-L248 HydrophobicContact CE1-CD2 4.44Å; Y185-L248 HydrophobicContact CG-CD2 3.61Å; I188-L248 HydrophobicContact CD1-CD1 4.16Å; I188-L248 HydrophobicContact CD1-CD2 3.81Å; V222-L248 HydrophobicContact CG2-CD2 4.15Å; L238-L248 HydrophobicContact CD1-CD1 4.11Å; L244-L248 HydrophobicContact CD1-CD1 4.12Å; L244-L248 HydrophobicContact CD2-CD1 3.64Å; V246-L248 PolarHBondContact O-N 2.79Å; L248-K250 PolarHBondContact O-N 2.71Å; L248-Y254 HydrophobicContact CB-CE1 3.95Å; L248-Y254 HydrophobicContact CD1-CE1 4.29Å; L248-Y254 HydrophobicContact CD2-CE1 4.22Å; L248-Y254 HydrophobicContact CG-CE1 4.39Å
249P81.3Confident81.1Confident34 Ų3466.9 Ų66.922%0.22136%0.357CS..  trans-54.3133.8167.8-22.833.7000110.2Y185 A251 Y254Y185-P249 HydrophobicContact CE2-CG 3.96Å; Y185-P249 WeakPolarHBondContact OH-CG 2.98Å; P249-A251 PolarHBondContact O-N 2.97Å; P249-Y254 PolarHBondContact O-OH 2.98Å; P249-Y254 VanDerWaalsContact O-OH 3.05Å
250K75.9Confident81.5Confident219 Ų21964.7 Ų64.795%0.95235%0.347SS*.SBendtrans-62.1102.3179.3-72-175.5179.3-179.70110.2L248L248-K250 PolarHBondContact O-N 2.71Å
251A79Confident82.6Confident48 Ų4859.6 Ų59.640%0.39732%0.315SS..  trans-138.8146.3173.800000109.3P249 Y254P249-A251 PolarHBondContact O-N 2.97Å; A251-Y254 HydrophobicContact CB-CE1 4.12Å; A251-Y254 PolarHBondContact O-OH 2.97Å
252E81.4Confident84.1Confident124 Ų12455.5 Ų55.558%0.57929%0.288SS*.SBendtrans-71-36.3173.7-67.717816600111.3
253L91.6Very high85.6Confident17 Ų1752.6 Ų52.69%0.08928%0.281CS..SBendtrans-132.4142.4-178.4-64.3174000111L58 F194 L235 T236 E237L58-L253 HydrophobicContact CD2-CD1 3.81Å; F194-L253 HydrophobicContact CD2-CD2 3.84Å; F194-L253 HydrophobicContact CE2-CD2 3.73Å; L235-L253 HydrophobicContact CB-CB 4.19Å; L235-L253 HydrophobicContact CB-CD1 4.29Å; L235-L253 HydrophobicContact CD1-CD1 4.32Å; L235-L253 HydrophobicContact CD2-CB 4.22Å; T236-L253 WeakPolarHBondContact O-CA 3.25Å; E237-L253 HydrophobicContact CG-CD2 3.69Å
254Y94.1Very high87Confident31 Ų3150.8 Ų50.812%0.12226%0.262CS..EExtended strand (participates in β ladder)trans-114.5137.1-179.8-62.3-87.5000110.8V222 L235 T236 L238 L248 P249 A251V222-Y254 HydrophobicContact CG2-CD1 4.1Å; V222-Y254 HydrophobicContact CG2-CG 4.48Å; L235-Y254 CarbonylContact C-O 3.48Å; L235-Y254 WeakPolarHBondContact CA-O 3.3Å; T236-Y254 PolarHBondContact N-O 2.84Å; T236-Y254 PolarHBondContact O-N 3.4Å; T236-Y254 PolarHBondContact OG1-O 3.27Å; L238-Y254 HydrophobicContact CB-CE2 4.3Å; L248-Y254 HydrophobicContact CB-CE1 3.95Å; L248-Y254 HydrophobicContact CD1-CE1 4.29Å; L248-Y254 HydrophobicContact CD2-CE1 4.22Å; L248-Y254 HydrophobicContact CG-CE1 4.39Å; P249-Y254 PolarHBondContact O-OH 2.98Å; P249-Y254 VanDerWaalsContact O-OH 3.05Å; A251-Y254 HydrophobicContact CB-CE1 4.12Å; A251-Y254 PolarHBondContact O-OH 2.97Å
255A96.3Very high88Confident2 Ų249.5 Ų49.52%0.01726%0.255CS..EExtended strand (participates in β ladder)trans-84124.4-177.800000111.6V222 F223 F225 P232 L234 L235 I258V222-A255 CarbonylContact C-O 3.58Å; V222-A255 WeakPolarHBondContact CA-O 3.49Å; F223-A255 PolarHBondContact N-O 3.32Å; F225-A255 HydrophobicContact CE1-CB 4.16Å; P232-A255 HydrophobicContact CB-CB 4.06Å; L234-A255 WeakPolarHBondContact O-CA 3.36Å; L235-A255 HydrophobicContact CD2-CB 4.08Å; A255-I258 HydrophobicContact CB-CG2 3.67Å
256T96.6Very high89.3Confident0 Ų048.4 Ų48.40%026%0.257CS..EExtended strand (participates in β ladder)trans-101.9-19174.253.10000112.7L190 W220 V222 F223 L234 T236 G273L190-T256 HydrophobicContact CD1-CG2 3.4Å; W220-T256 HydrophobicContact CE3-CG2 3.91Å; W220-T256 HydrophobicContact CZ3-CG2 4.24Å; V222-T256 HydrophobicContact CG1-CG2 4.29Å; F223-T256 WeakPolarHBondContact CE2-O 3.44Å; L234-T256 WeakPolarHBondContact CB-OG1 3.39Å; L234-T256 PolarHBondContact O-N 2.83Å; T236-T256 HydrophobicContact CG2-CG2 3.73Å; T256-G273 PolarHBondContact O-N 2.92Å
257V98.2Very high90.3Very high0 Ų045.9 Ų45.90%024%0.242CC..EExtended strand (participates in β ladder)trans-133.8133.2169.3-175.70000108.9V233 L234 V270 L271 F272 I284V233-V257 HydrophobicContact CB-CB 4.14Å; V233-V257 HydrophobicContact CB-CG1 3.94Å; V233-V257 HydrophobicContact CG1-CG1 4.37Å; V233-V257 HydrophobicContact CG2-CG1 4.33Å; V233-V257 PolarHBondContact N-O 3.32Å; L234-V257 HydrophobicContact CB-CB 4.01Å; L234-V257 HydrophobicContact CB-CG2 4.08Å; L234-V257 HydrophobicContact CD1-CB 4.4Å; L234-V257 HydrophobicContact CD1-CG2 3.73Å; L234-V257 HydrophobicContact CG-CB 4.09Å; L234-V257 HydrophobicContact CG-CG2 3.98Å; L234-V257 PolarHBondContact N-O 3.44Å; V257-V270 HydrophobicContact CG1-CG1 3.94Å; V257-L271 VanDerWaalsContact CA-O 3.31Å; V257-L271 WeakPolarHBondContact CA-O 3.5Å; V257-L271 WeakPolarHBondContact CG1-O 3.3Å; V257-F272 HydrophobicContact CG1-CD1 4.2Å; V257-F272 HydrophobicContact CG1-CE1 4.08Å; V257-F272 HydrophobicContact CG1-CG 4.49Å; V257-F272 HydrophobicContact CG1-CZ 4.26Å; V257-F272 HydrophobicContact CG2-CD1 3.58Å; V257-F272 HydrophobicContact CG2-CE1 3.92Å; V257-F272 HydrophobicContact CG2-CG 4.29Å; V257-I284 HydrophobicContact CG1-CG2 3.89Å
258I97.9Very high91.2Very high0 Ų038.1 Ų38.10%021%0.205CC..EExtended strand (participates in β ladder)trans-130.5148.1179.260.6171.3000111.1L182 F223 F225 Y230 Q231 A255 V270 L271L182-I258 HydrophobicContact CD1-CD1 3.67Å; L182-I258 HydrophobicContact CD2-CD1 3.9Å; L182-I258 HydrophobicContact CG-CD1 4.47Å; F223-I258 HydrophobicContact CB-CD1 3.9Å; F223-I258 HydrophobicContact CB-CG1 4.41Å; F223-I258 HydrophobicContact CB-CG2 3.91Å; F223-I258 HydrophobicContact CD1-CD1 4.21Å; F223-I258 HydrophobicContact CD2-CD1 4.18Å; F223-I258 HydrophobicContact CD2-CG1 3.91Å; F223-I258 HydrophobicContact CD2-CG2 4.01Å; F223-I258 HydrophobicContact CE2-CG1 4.34Å; F223-I258 HydrophobicContact CG-CD1 3.84Å; F223-I258 HydrophobicContact CG-CG1 4.1Å; F223-I258 HydrophobicContact CG-CG2 4.28Å; F225-I258 HydrophobicContact CD1-CD1 4.5Å; F225-I258 HydrophobicContact CD1-CG2 4.26Å; F225-I258 HydrophobicContact CE1-CG2 3.57Å; F225-I258 HydrophobicContact CZ-CG2 4.31Å; Y230-I258 HydrophobicContact CD1-CD1 3.73Å; Y230-I258 HydrophobicContact CE1-CD1 4.11Å; Y230-I258 HydrophobicContact CG-CD1 4.3Å; Q231-I258 CarbonylContact O-C 3.56Å; Q231-I258 WeakPolarHBondContact O-CA 3.41Å; A255-I258 HydrophobicContact CB-CG2 3.67Å; I258-V270 WeakPolarHBondContact O-CA 3.21Å; I258-L271 HydrophobicContact CD1-CB 4.43Å; I258-L271 HydrophobicContact CD1-CD1 4.17Å; I258-L271 HydrophobicContact CG1-CB 3.87Å; I258-L271 HydrophobicContact CG1-CD1 4.45Å; I258-L271 HydrophobicContact CG1-CG 4.48Å; I258-L271 PolarHBondContact N-O 3.5Å; I258-L271 VanDerWaalsContact N-O 3.07Å; I258-L271 PolarHBondContact O-N 3.38Å
259Q97.1Very high92Very high1 Ų137.1 Ų37.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-99128.9166.7-176.7176.81.100109L201 Y230 Q231 V233 L261 R269L201-Q259 HydrophobicContact CD1-CB 4.21Å; L201-Q259 HydrophobicContact CD1-CG 4.5Å; L201-Q259 HydrophobicContact CD2-CG 4.32Å; Y230-Q259 CarbonylContact C-O 3.55Å; Y230-Q259 VanDerWaalsContact CA-O 3.28Å; Y230-Q259 WeakPolarHBondContact CA-O 3.14Å; Q231-Q259 PolarHBondContact N-O 2.85Å; Q231-Q259 PolarHBondContact O-N 3.39Å; V233-Q259 HydrophobicContact CG2-CB 4.05Å; Q259-L261 HydrophobicContact CG-CD2 4.21Å; Q259-R269 CarbonylContact C-O 3.59Å; Q259-R269 WeakPolarHBondContact CA-O 3.48Å
260D96.3Very high92.8Very high1 Ų135.5 Ų35.51%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-96.3116.7165.6-1751.2000108.8T229 Y230 G262 Q268 R269T229-D260 WeakPolarHBondContact CB-OD1 3.42Å; T229-D260 VanDerWaalsContact CG2-OD1 3.29Å; T229-D260 WeakPolarHBondContact CG2-OD1 3.45Å; T229-D260 PolarHBondContact OG1-OD1 3.41Å; Y230-D260 HydrophobicContact CD1-CB 3.87Å; Y230-D260 HydrophobicContact CE1-CB 3.67Å; D260-G262 PolarHBondContact O-N 3.38Å; D260-G262 PolarHBondContact OD1-N 2.9Å; D260-Q268 WeakPolarHBondContact O-CA 3.44Å; D260-R269 HydrophobicContact CB-CB 3.81Å; D260-R269 HydrophobicContact CB-CG 4.18Å; D260-R269 PolarHBondContact N-O 3.34Å; D260-R269 PolarHBondContact O-N 3.41Å; D260-R269 IonicContact OD2-CZ 3.65Å; D260-R269 IonicContact OD2-NH1 3.23Å; D260-R269 PolarHBondContact OD2-NH1 3.45Å
261L94.7Very high93.9Very high13 Ų1325.4 Ų25.47%0.06815%0.146CC..  trans-73.3-5.2179.2-62.3179.4000113.1A68 T229 Q231 Q259 L263 Q268A68-L261 HydrophobicContact CB-CB 4.18Å; A68-L261 HydrophobicContact CB-CD2 4.28Å; T229-L261 WeakPolarHBondContact O-CB 3.18Å; T229-L261 WeakPolarHBondContact O-CG 3.23Å; T229-L261 PolarHBondContact O-N 2.91Å; Q231-L261 HydrophobicContact CG-CD1 4.2Å; Q259-L261 HydrophobicContact CG-CD2 4.21Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 HydrophobicContact CB-CD1 4.42Å; L261-L263 HydrophobicContact CB-CG 3.96Å; L261-L263 HydrophobicContact CD1-CD1 4.36Å; L261-L263 PolarHBondContact O-N 2.97Å; L261-Q268 WeakPolarHBondContact O-CG 3.31Å
262G93.8Very high94.8Very high8 Ų823.1 Ų23.18%0.08213%0.127CC..SBendtrans72.222.1-178.700000113.6T229 D260 H264 G266 I267T229-G262 PolarHBondContact OG1-N 3.17Å; D260-G262 PolarHBondContact O-N 3.38Å; D260-G262 PolarHBondContact OD1-N 2.9Å; G262-H264 PolarHBondContact O-N 3.19Å; G262-G266 WeakPolarHBondContact O-CA 3.48Å; G262-G266 PolarHBondContact O-N 3.25Å; G262-I267 WeakPolarHBondContact CA-O 3.21Å
263L93.7Very high95.6Very high66 Ų6617.2 Ų17.235%0.34610%0.099SC..THydrogen-bonded Turntrans-72.1-16.6178.8-57.4-179.2000112.6K66 T229 L261K66-L263 HydrophobicContact CB-CD1 3.89Å; K66-L263 HydrophobicContact CD-CD1 4.26Å; T229-L263 PolarHBondContact OG1-N 3.15Å; L261-L263 VanDerWaalsContact C-N 3.31Å; L261-L263 HydrophobicContact CB-CD1 4.42Å; L261-L263 HydrophobicContact CB-CG 3.96Å; L261-L263 HydrophobicContact CD1-CD1 4.36Å; L261-L263 PolarHBondContact O-N 2.97Å
264H90.8Very high95.8Very high92 Ų9216.4 Ų16.443%0.42610%0.095SC..THydrogen-bonded Turntrans-85.5-42179-179.8-97000112.7G179 G262G179-H264 PolarHBondContact O-CE1 3.36Å; G262-H264 PolarHBondContact O-N 3.19Å
265D92.3Very high95.9Very high48 Ų4815.7 Ų15.726%0.2579%0.093SC..THydrogen-bonded Turntrans-138.65.6-170.960.610000114.8I267 R269D265-I267 PolarHBondContact OD1-N 2.56Å; D265-I267 VanDerWaalsContact OD1-N 3.11Å; D265-R269 VanDerWaalsContact CG-NH1 3.33Å; D265-R269 IonicContact OD1-CZ 3.44Å; D265-R269 IonicContact OD1-NH1 3.28Å; D265-R269 PolarHBondContact OD1-NH1 3Å; D265-R269 IonicContact OD1-NH2 2.72Å; D265-R269 IonicContact OD2-CZ 3.56Å; D265-R269 VanDerWaalsContact OD2-CZ 3.23Å; D265-R269 IonicContact OD2-NH1 3.57Å; D265-R269 PolarHBondContact OD2-NH1 3.08Å; D265-R269 IonicContact OD2-NH2 3.75Å; D265-R269 PolarHBondContact OD2-NH2 2.85Å
266G92.4Very high95.9Very high50 Ų5015.6 Ų15.652%0.5159%0.092SC..SBendtrans83.42.4178.900000115.3G262G262-G266 WeakPolarHBondContact O-CA 3.48Å; G262-G266 PolarHBondContact O-N 3.25Å
267I95.4Very high95.6Very high3 Ų319 Ų192%0.01511%0.114CC..  trans-112.2121.6-176.2-57.5171.2000110E151 C154 V155 I161 G262 D265 R269E151-I267 HydrophobicContact CB-CD1 4.01Å; E151-I267 HydrophobicContact CG-CD1 3.85Å; C154-I267 HydrophobicContact CB-CD1 3.78Å; C154-I267 HydrophobicContact CB-CG1 3.86Å; C154-I267 HydrophobicContact CB-CG2 4.18Å; V155-I267 HydrophobicContact CG2-CD1 4.4Å; V155-I267 HydrophobicContact CG2-CG1 3.9Å; I161-I267 HydrophobicContact CD1-CG2 4Å; I161-I267 HydrophobicContact CG1-CG2 4.05Å; G262-I267 WeakPolarHBondContact CA-O 3.21Å; D265-I267 PolarHBondContact OD1-N 2.56Å; D265-I267 VanDerWaalsContact OD1-N 3.11Å; I267-R269 HydrophobicContact CG2-CG 4.26Å; I267-R269 PolarHBondContact O-NH1 2.86Å
268Q96.5Very high95.5Very high20 Ų2019.7 Ų19.79%0.09312%0.117CC..  trans-78.7138.9175.5-75-178.476.300111.4K69 S160 I161 D260 L261 L292K69-Q268 PolarHBondContact O-NE2 2.85Å; S160-Q268 WeakPolarHBondContact CA-O 3.43Å; S160-Q268 WeakPolarHBondContact CB-O 3.24Å; I161-Q268 PolarHBondContact N-O 2.79Å; D260-Q268 WeakPolarHBondContact O-CA 3.44Å; L261-Q268 WeakPolarHBondContact O-CG 3.31Å; Q268-L292 HydrophobicContact CB-CD2 4.13Å
269R96.9Very high95.2Very high3 Ų320.6 Ų20.61%0.01112%0.12CC..EExtended strand (participates in β ladder)trans-139.5156.8-178.8-39.3-178.5169.675.3-1.6113.7Y139 I161 Q259 D260 D265 I267Y139-R269 PolarHBondContact OH-NH2 3.48Å; Y139-R269 VanDerWaalsContact OH-NH2 3.16Å; I161-R269 HydrophobicContact CB-CB 4.49Å; I161-R269 HydrophobicContact CB-CG 4.1Å; I161-R269 CarbonylContact O-C 3.59Å; I161-R269 WeakPolarHBondContact O-CA 3.4Å; I161-R269 WeakPolarHBondContact O-CB 3.34Å; Q259-R269 CarbonylContact C-O 3.59Å; Q259-R269 WeakPolarHBondContact CA-O 3.48Å; D260-R269 HydrophobicContact CB-CB 3.81Å; D260-R269 HydrophobicContact CB-CG 4.18Å; D260-R269 PolarHBondContact N-O 3.34Å; D260-R269 PolarHBondContact O-N 3.41Å; D260-R269 IonicContact OD2-CZ 3.65Å; D260-R269 IonicContact OD2-NH1 3.23Å; D260-R269 PolarHBondContact OD2-NH1 3.45Å; D265-R269 VanDerWaalsContact CG-NH1 3.33Å; D265-R269 IonicContact OD1-CZ 3.44Å; D265-R269 IonicContact OD1-NH1 3.28Å; D265-R269 PolarHBondContact OD1-NH1 3Å; D265-R269 IonicContact OD1-NH2 2.72Å; D265-R269 IonicContact OD2-CZ 3.56Å; D265-R269 VanDerWaalsContact OD2-CZ 3.23Å; D265-R269 IonicContact OD2-NH1 3.57Å; D265-R269 PolarHBondContact OD2-NH1 3.08Å; D265-R269 IonicContact OD2-NH2 3.75Å; D265-R269 PolarHBondContact OD2-NH2 2.85Å; I267-R269 HydrophobicContact CG2-CG 4.26Å; I267-R269 PolarHBondContact O-NH1 2.86Å
270V98.4Very high95.1Very high0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-127.2126.4162.7178.20000108.5I161 I162 G163 L201 V257 I258 F272 A288 L292I161-V270 PolarHBondContact O-N 2.95Å; I162-V270 WeakPolarHBondContact CA-O 3.48Å; G163-V270 PolarHBondContact N-O 3.31Å; L201-V270 HydrophobicContact CD1-CG1 4.24Å; L201-V270 HydrophobicContact CD1-CG2 3.66Å; L201-V270 HydrophobicContact CD2-CG2 4.08Å; V257-V270 HydrophobicContact CG1-CG1 3.94Å; I258-V270 WeakPolarHBondContact O-CA 3.21Å; V270-F272 HydrophobicContact CG1-CD2 4.29Å; V270-F272 HydrophobicContact CG1-CE2 3.62Å; V270-F272 HydrophobicContact CG1-CZ 4.1Å; V270-A288 HydrophobicContact CB-CB 4.09Å; V270-A288 HydrophobicContact CG1-CB 4.03Å; V270-A288 HydrophobicContact CG2-CB 4.01Å; V270-L292 HydrophobicContact CB-CD1 4.37Å; V270-L292 HydrophobicContact CG2-CD1 3.93Å; V270-L292 HydrophobicContact CG2-CG 4.4Å
271L98.5Very high95.1Very high7 Ų720.5 Ų20.54%0.03712%0.12CC..EExtended strand (participates in β ladder)trans-116.6131.8-175.2-57.2179.4000111.1I136 G163 L182 F223 V257 I258I136-L271 HydrophobicContact CD1-CD2 4.14Å; I136-L271 HydrophobicContact CG1-CD2 4.05Å; G163-L271 CarbonylContact O-C 3.59Å; G163-L271 VanDerWaalsContact O-CA 3.27Å; G163-L271 WeakPolarHBondContact O-CA 3.31Å; L182-L271 HydrophobicContact CD2-CD1 3.73Å; F223-L271 HydrophobicContact CE1-CB 4.46Å; F223-L271 HydrophobicContact CE2-CB 4.27Å; F223-L271 WeakPolarHBondContact CE2-O 3.41Å; F223-L271 HydrophobicContact CZ-CB 3.97Å; V257-L271 VanDerWaalsContact CA-O 3.31Å; V257-L271 WeakPolarHBondContact CA-O 3.5Å; V257-L271 WeakPolarHBondContact CG1-O 3.3Å; I258-L271 HydrophobicContact CD1-CB 4.43Å; I258-L271 HydrophobicContact CD1-CD1 4.17Å; I258-L271 HydrophobicContact CG1-CB 3.87Å; I258-L271 HydrophobicContact CG1-CD1 4.45Å; I258-L271 HydrophobicContact CG1-CG 4.48Å; I258-L271 PolarHBondContact N-O 3.5Å; I258-L271 VanDerWaalsContact N-O 3.07Å; I258-L271 PolarHBondContact O-N 3.38Å
272F98.6Very high95.2Very high0 Ų021.6 Ų21.60%012%0.124CC..EExtended strand (participates in β ladder)trans-111129.5-179.9-69-99.7000110.9I162 G163 F164 H165 V257 V270 N274 H281 I284 F285I162-F272 HydrophobicContact CG2-CD2 4.1Å; I162-F272 HydrophobicContact CG2-CE2 3.84Å; G163-F272 PolarHBondContact O-N 2.8Å; F164-F272 HydrophobicContact CD1-CB 3.45Å; F164-F272 VanDerWaalsContact CD1-CB 3.45Å; F164-F272 HydrophobicContact CD1-CD2 4.22Å; F164-F272 AromaticContact CD1-CG 3.89Å; F164-F272 HydrophobicContact CD1-CG 3.89Å; F164-F272 HydrophobicContact CE1-CB 3.72Å; F164-F272 HydrophobicContact CE1-CD1 4.08Å; F164-F272 AromaticContact CE1-CD2 3.84Å; F164-F272 HydrophobicContact CE1-CD2 3.84Å; F164-F272 HydrophobicContact CE1-CE2 4.5Å; F164-F272 AromaticContact CE1-CG 3.61Å; F164-F272 HydrophobicContact CE1-CG 3.61Å; F164-F272 HydrophobicContact CE2-CD2 4.49Å; F164-F272 HydrophobicContact CG-CB 4.19Å; F164-F272 AromaticContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CD2 3.99Å; F164-F272 HydrophobicContact CZ-CE2 4.34Å; F164-F272 HydrophobicContact CZ-CG 4.23Å; H165-F272 PolarHBondContact N-O 3.39Å; V257-F272 HydrophobicContact CG1-CD1 4.2Å; V257-F272 HydrophobicContact CG1-CE1 4.08Å; V257-F272 HydrophobicContact CG1-CG 4.49Å; V257-F272 HydrophobicContact CG1-CZ 4.26Å; V257-F272 HydrophobicContact CG2-CD1 3.58Å; V257-F272 HydrophobicContact CG2-CE1 3.92Å; V257-F272 HydrophobicContact CG2-CG 4.29Å; V270-F272 HydrophobicContact CG1-CD2 4.29Å; V270-F272 HydrophobicContact CG1-CE2 3.62Å; V270-F272 HydrophobicContact CG1-CZ 4.1Å; F272-N274 VanDerWaalsContact C-N 3.31Å; F272-N274 PolarHBondContact O-N 3.15Å; F272-H281 HydrophobicContact CD1-CB 4.29Å; F272-H281 HydrophobicContact CE1-CB 4.4Å; F272-I284 HydrophobicContact CE1-CB 4.1Å; F272-I284 HydrophobicContact CE1-CG2 3.95Å; F272-I284 HydrophobicContact CZ-CB 4.33Å; F272-I284 HydrophobicContact CZ-CG2 3.87Å; F272-F285 HydrophobicContact CE1-CB 4.36Å; F272-F285 HydrophobicContact CE2-CD2 4.37Å; F272-F285 HydrophobicContact CZ-CB 3.96Å; F272-F285 HydrophobicContact CZ-CD2 4.47Å
273G97.2Very high95.3Very high0 Ų021.2 Ų21.20%012%0.12CC..SBendtrans-89.114.6-179.200000114.7H165 T221 T256H165-G273 CarbonylContact O-C 3.57Å; H165-G273 WeakPolarHBondContact O-CA 3.13Å; T221-G273 WeakPolarHBondContact CA-O 3.34Å; T221-G273 WeakPolarHBondContact CB-O 3.27Å; T221-G273 PolarHBondContact N-O 3.3Å; T221-G273 WeakPolarHBondContact O-CA 3.33Å; T256-G273 PolarHBondContact O-N 2.92Å
274N96.7Very high95.5Very high0 Ų018 Ų180%010%0.103CC..SBendtrans-163.2-179.4167.3-152.9-26.7000108.4F164 H165 K166 D219 W220 F272F164-N274 WeakPolarHBondContact CD1-O 3.22Å; H165-N274 PolarHBondContact O-N 3.38Å; K166-N274 WeakPolarHBondContact CD-OD1 3.42Å; K166-N274 WeakPolarHBondContact CG-OD1 3.35Å; D219-N274 PolarHBondContact OD1-ND2 2.93Å; W220-N274 HydrophobicContact CD2-CB 3.93Å; W220-N274 VanDerWaalsContact CE2-ND2 3.27Å; W220-N274 HydrophobicContact CE3-CB 3.67Å; W220-N274 HydrophobicContact CH2-CB 4.04Å; W220-N274 HydrophobicContact CZ2-CB 4.28Å; W220-N274 HydrophobicContact CZ3-CB 3.76Å; W220-N274 PolarHBondContact NE1-ND2 2.99Å; F272-N274 VanDerWaalsContact C-N 3.31Å; F272-N274 PolarHBondContact O-N 3.15Å
275N95.6Very high95.8Very high15 Ų1513.7 Ų13.78%0.088%0.083CC..  trans-73.2-167.9175.867.419.6000113.2L91 K166 T277 H281L91-N275 HydrophobicContact CD1-CB 4.03Å; L91-N275 HydrophobicContact CD2-CB 4.26Å; K166-N275 HydrophobicContact CD-CB 4.13Å; K166-N275 PolarHBondContact NZ-ND2 2.8Å; N275-T277 WeakPolarHBondContact ND2-CG2 2.95Å; N275-T277 VanDerWaalsContact OD1-CB 3.3Å; N275-T277 WeakPolarHBondContact OD1-CB 3.42Å; N275-T277 VanDerWaalsContact OD1-CG2 3.24Å; N275-T277 WeakPolarHBondContact OD1-CG2 3.29Å; N275-T277 PolarHBondContact OD1-N 3.38Å; N275-T277 PolarHBondContact OD1-OG1 3.46Å; N275-H281 PolarHBondContact O-ND1 3.17Å
276L95.7Very high96.1Very high0 Ų011.9 Ų11.90%07%0.073CC..SBendtrans-91.212.3-178.9-67.6175.8000114.2L91 D94 I95 I98 F164 F278 H281 K282 F285L91-L276 HydrophobicContact CD1-CB 4.23Å; L91-L276 HydrophobicContact CD1-CD1 4.01Å; L91-L276 HydrophobicContact CD1-CG 3.78Å; D94-L276 HydrophobicContact CB-CB 4.44Å; D94-L276 HydrophobicContact CB-CD1 4.27Å; I95-L276 HydrophobicContact CG1-CD1 3.73Å; I98-L276 HydrophobicContact CD1-CD1 3.86Å; F164-L276 HydrophobicContact CE1-CD2 3.72Å; F164-L276 HydrophobicContact CE1-CG 3.91Å; F164-L276 HydrophobicContact CZ-CD1 4.35Å; F164-L276 HydrophobicContact CZ-CD2 3.87Å; F164-L276 HydrophobicContact CZ-CG 4.07Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-F278 PolarHBondContact O-N 2.94Å; L276-H281 HydrophobicContact CD2-CB 4.19Å; L276-K282 HydrophobicContact CB-CG 4.19Å; L276-K282 HydrophobicContact CD2-CG 4.49Å; L276-K282 WeakPolarHBondContact O-CE 3.3Å; L276-K282 VanDerWaalsContact O-CG 3.23Å; L276-K282 WeakPolarHBondContact O-CG 3.47Å; L276-K282 PolarHBondContact O-NZ 2.92Å; L276-F285 HydrophobicContact CD1-CD1 4.23Å; L276-F285 HydrophobicContact CD1-CE1 4.4Å; L276-F285 HydrophobicContact CD2-CB 3.86Å; L276-F285 HydrophobicContact CD2-CD1 4.36Å; L276-F285 HydrophobicContact CD2-CG 4.08Å
277T91.9Very high96.3Very high73 Ų739.5 Ų9.545%0.4485%0.049SC..  trans-63.2-41.3179.456.20000111.6N275 K282N275-T277 WeakPolarHBondContact ND2-CG2 2.95Å; N275-T277 VanDerWaalsContact OD1-CB 3.3Å; N275-T277 WeakPolarHBondContact OD1-CB 3.42Å; N275-T277 VanDerWaalsContact OD1-CG2 3.24Å; N275-T277 WeakPolarHBondContact OD1-CG2 3.29Å; N275-T277 PolarHBondContact OD1-N 3.38Å; N275-T277 PolarHBondContact OD1-OG1 3.46Å; T277-K282 PolarHBondContact O-NZ 3.42Å
278F94.3Very high96.4Very high14 Ų149.4 Ų9.46%0.0615%0.048CC..SBendtrans-70.8130.8175.2-174.1-137.1000111.8C193 E211 L215 P216 W220 L276 L280 H281 K282C193-F278 HydrophobicContact CB-CE1 4.18Å; C193-F278 HydrophobicContact CB-CZ 4.09Å; E211-F278 HydrophobicContact CG-CE2 4.4Å; E211-F278 HydrophobicContact CG-CZ 4.29Å; L215-F278 HydrophobicContact CD2-CE1 4.44Å; L215-F278 HydrophobicContact CG-CE1 4.5Å; L215-F278 HydrophobicContact CG-CZ 4.43Å; P216-F278 HydrophobicContact CG-CB 4.03Å; P216-F278 HydrophobicContact CG-CD2 4.24Å; P216-F278 HydrophobicContact CG-CG 4.46Å; W220-F278 HydrophobicContact CH2-CB 3.83Å; W220-F278 AromaticContact CH2-CD1 3.76Å; W220-F278 HydrophobicContact CH2-CD1 3.76Å; W220-F278 HydrophobicContact CH2-CG 4.05Å; W220-F278 HydrophobicContact CZ2-CB 4.06Å; W220-F278 HydrophobicContact CZ2-CD1 4.47Å; W220-F278 HydrophobicContact CZ2-CG 4.39Å; L276-F278 VanDerWaalsContact C-N 3.33Å; L276-F278 PolarHBondContact O-N 2.94Å; F278-L280 HydrophobicContact CD1-CB 3.95Å; F278-L280 HydrophobicContact CE1-CB 3.58Å; F278-L280 HydrophobicContact CE1-CD1 3.89Å; F278-L280 HydrophobicContact CE1-CG 4.19Å; F278-L280 HydrophobicContact CZ-CB 4.02Å; F278-L280 HydrophobicContact CZ-CD1 3.79Å; F278-L280 HydrophobicContact CZ-CG 4.18Å; F278-L280 PolarHBondContact O-N 2.93Å; F278-H281 AromaticContact CD1-CD2 3.93Å; F278-H281 WeakPolarHBondContact O-CB 3.49Å; F278-H281 PolarHBondContact O-N 3.05Å; F278-H281 VanDerWaalsContact O-N 3.12Å; F278-K282 PolarHBondContact O-N 3.27Å
279W93.1Very high96.5Very high19 Ų198.5 Ų8.57%0.0724%0.044CC..Hα-helixtrans-67.5-33-170.371.8-94.3000113.3R209 E211 H281 K282 L283 G502 F506 F540R209-W279 VanDerWaalsContact NH2-CH2 3.31Å; E211-W279 HydrophobicContact CG-CZ2 4.31Å; E211-W279 PolarHBondContact OE1-NE1 3.25Å; E211-W279 WeakPolarHBondContact OE2-CZ2 3.45Å; W279-H281 VanDerWaalsContact C-N 3.32Å; W279-H281 PolarHBondContact O-N 3.24Å; W279-K282 WeakPolarHBondContact O-CB 3.28Å; W279-K282 PolarHBondContact O-N 3.17Å; W279-L283 HydrophobicContact CE3-CD1 3.89Å; W279-L283 HydrophobicContact CH2-CD1 4.43Å; W279-L283 HydrophobicContact CZ3-CD1 3.38Å; W279-L283 HydrophobicContact CZ3-CG 4.45Å; W279-L283 PolarHBondContact O-N 3.42Å; W279-G502 VanDerWaalsContact CB-O 3.25Å; W279-G502 WeakPolarHBondContact CB-O 3.48Å; W279-F506 HydrophobicContact CE3-CE1 4.31Å; W279-F540 HydrophobicContact CD2-CZ 4.37Å; W279-F540 HydrophobicContact CE3-CZ 4.18Å; W279-F540 HydrophobicContact CH2-CZ 4.29Å; W279-F540 HydrophobicContact CZ2-CZ 4.36Å; W279-F540 HydrophobicContact CZ3-CZ 4.09Å
280L94.8Very high96.5Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-64.9-34.9173.2-83.4173.4000112.1C193 V195 T205 E211 L234 F278 K282 L283 I284C193-L280 HydrophobicContact CB-CD1 4.25Å; V195-L280 HydrophobicContact CG2-CD1 4.38Å; V195-L280 HydrophobicContact CG2-CD2 4.11Å; T205-L280 HydrophobicContact CG2-CD2 4.4Å; E211-L280 HydrophobicContact CB-CD1 4.1Å; L234-L280 HydrophobicContact CD1-CB 4.21Å; F278-L280 HydrophobicContact CD1-CB 3.95Å; F278-L280 HydrophobicContact CE1-CB 3.58Å; F278-L280 HydrophobicContact CE1-CD1 3.89Å; F278-L280 HydrophobicContact CE1-CG 4.19Å; F278-L280 HydrophobicContact CZ-CB 4.02Å; F278-L280 HydrophobicContact CZ-CD1 3.79Å; F278-L280 HydrophobicContact CZ-CG 4.18Å; F278-L280 PolarHBondContact O-N 2.93Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 3.26Å; L280-L283 HydrophobicContact CD2-CD1 4.4Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-I284 WeakPolarHBondContact O-CG1 3.15Å; L280-I284 PolarHBondContact O-N 3.44Å
281H96.3Very high96.4Very high0 Ų011 Ų110%06%0.055CC..Hα-helixtrans-60.4-40.2173.6-80.5-161.8000111.3W220 F272 N275 L276 F278 W279 L283 I284 F285W220-H281 AromaticContact CH2-CE1 3.58Å; W220-H281 AromaticContact CH2-NE2 3.73Å; W220-H281 AromaticContact CZ3-CE1 3.23Å; W220-H281 WeakPolarHBondContact CZ3-CE1 3.47Å; W220-H281 AromaticContact CZ3-NE2 3.33Å; W220-H281 VanDerWaalsContact CZ3-NE2 3.33Å; W220-H281 WeakPolarHBondContact CZ3-NE2 3.48Å; F272-H281 HydrophobicContact CD1-CB 4.29Å; F272-H281 HydrophobicContact CE1-CB 4.4Å; N275-H281 PolarHBondContact O-ND1 3.17Å; L276-H281 HydrophobicContact CD2-CB 4.19Å; F278-H281 AromaticContact CD1-CD2 3.93Å; F278-H281 WeakPolarHBondContact O-CB 3.49Å; F278-H281 PolarHBondContact O-N 3.05Å; F278-H281 VanDerWaalsContact O-N 3.12Å; W279-H281 VanDerWaalsContact C-N 3.32Å; W279-H281 PolarHBondContact O-N 3.24Å; H281-L283 PolarHBondContact O-N 2.94Å; H281-I284 PolarHBondContact O-N 3.44Å; H281-F285 WeakPolarHBondContact O-CB 3.3Å; H281-F285 PolarHBondContact O-N 3.04Å
282K96Very high96.3Very high35 Ų3510.7 Ų10.715%0.1525%0.054CC..Hα-helixtrans-61.4-42.9175.8-57.4-173.717981.60112I98 L276 T277 F278 W279 L280 F285 I286 L507I98-K282 HydrophobicContact CD1-CB 4.45Å; I98-K282 HydrophobicContact CD1-CG 4.49Å; L276-K282 HydrophobicContact CB-CG 4.19Å; L276-K282 HydrophobicContact CD2-CG 4.49Å; L276-K282 WeakPolarHBondContact O-CE 3.3Å; L276-K282 VanDerWaalsContact O-CG 3.23Å; L276-K282 WeakPolarHBondContact O-CG 3.47Å; L276-K282 PolarHBondContact O-NZ 2.92Å; T277-K282 PolarHBondContact O-NZ 3.42Å; F278-K282 PolarHBondContact O-N 3.27Å; W279-K282 WeakPolarHBondContact O-CB 3.28Å; W279-K282 PolarHBondContact O-N 3.17Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 3.26Å; K282-F285 PolarHBondContact O-N 3Å; K282-I286 WeakPolarHBondContact O-CD1 3.32Å; K282-I286 WeakPolarHBondContact O-CG1 3.36Å; K282-I286 PolarHBondContact O-N 2.86Å; K282-L507 HydrophobicContact CB-CD2 4.27Å; K282-L507 HydrophobicContact CD-CD1 3.55Å; K282-L507 HydrophobicContact CD-CD2 3.62Å; K282-L507 HydrophobicContact CD-CG 4.16Å
283L95.5Very high96.2Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-65.1-50.7176.7-85.3178.9000112.7I204 W279 L280 H281 F285 I286 D287 F506 L510 T545I204-L283 HydrophobicContact CG2-CD2 3.83Å; W279-L283 HydrophobicContact CE3-CD1 3.89Å; W279-L283 HydrophobicContact CH2-CD1 4.43Å; W279-L283 HydrophobicContact CZ3-CD1 3.38Å; W279-L283 HydrophobicContact CZ3-CG 4.45Å; W279-L283 PolarHBondContact O-N 3.42Å; L280-L283 HydrophobicContact CD2-CD1 4.4Å; L280-L283 PolarHBondContact O-N 3.44Å; H281-L283 PolarHBondContact O-N 2.94Å; L283-F285 PolarHBondContact O-N 3.46Å; L283-I286 PolarHBondContact O-N 3.26Å; L283-I286 VanDerWaalsContact O-N 3.13Å; L283-D287 PolarHBondContact O-N 3.02Å; L283-F506 HydrophobicContact CD1-CE1 4.37Å; L283-F506 HydrophobicContact CD1-CZ 4.09Å; L283-F506 HydrophobicContact CD2-CE1 4.34Å; L283-F506 HydrophobicContact CD2-CZ 4.03Å; L283-F506 HydrophobicContact CG-CE1 4.22Å; L283-F506 HydrophobicContact CG-CZ 4.21Å; L283-L510 HydrophobicContact CD2-CD1 3.53Å; L283-L510 HydrophobicContact CD2-CD2 3.64Å; L283-L510 HydrophobicContact CD2-CG 4.24Å; L283-L510 HydrophobicContact CG-CD2 4.29Å; L283-T545 HydrophobicContact CD1-CG2 4.29Å; L283-T545 HydrophobicContact CD2-CG2 4.27Å
284I97.6Very high96Very high0 Ų012.4 Ų12.40%07%0.071CC..Hα-helixtrans-63.4-31.8179.5-62.6-60.7000110.8L202 T205 V233 L234 V257 F272 L280 H281 D287 A288L202-I284 HydrophobicContact CD2-CD1 3.54Å; T205-I284 HydrophobicContact CG2-CD1 4.05Å; V233-I284 HydrophobicContact CG1-CD1 3.98Å; V233-I284 HydrophobicContact CG1-CG1 4.47Å; V233-I284 HydrophobicContact CG1-CG2 3.8Å; L234-I284 HydrophobicContact CD1-CG1 4.01Å; L234-I284 HydrophobicContact CD2-CD1 4.26Å; L234-I284 HydrophobicContact CD2-CG1 3.99Å; L234-I284 HydrophobicContact CG-CG1 4.04Å; V257-I284 HydrophobicContact CG1-CG2 3.89Å; F272-I284 HydrophobicContact CE1-CB 4.1Å; F272-I284 HydrophobicContact CE1-CG2 3.95Å; F272-I284 HydrophobicContact CZ-CB 4.33Å; F272-I284 HydrophobicContact CZ-CG2 3.87Å; L280-I284 WeakPolarHBondContact O-CG1 3.15Å; L280-I284 PolarHBondContact O-N 3.44Å; H281-I284 PolarHBondContact O-N 3.44Å; I284-D287 PolarHBondContact O-N 3.17Å; I284-A288 VanDerWaalsContact O-CB 3.23Å; I284-A288 WeakPolarHBondContact O-CB 3.42Å; I284-A288 PolarHBondContact O-N 2.65Å
285F98.3Very high95.8Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-63.2-44173.8177.6-115.6000112.5I95 I98 I132 I162 F164 F272 L276 H281 K282 L283 A288 I289I95-F285 HydrophobicContact CB-CZ 4.5Å; I95-F285 HydrophobicContact CG1-CZ 4.2Å; I95-F285 HydrophobicContact CG2-CE1 4.36Å; I95-F285 HydrophobicContact CG2-CZ 3.82Å; I98-F285 HydrophobicContact CB-CE1 4.28Å; I98-F285 HydrophobicContact CD1-CD1 3.88Å; I98-F285 HydrophobicContact CD1-CE1 4.21Å; I98-F285 HydrophobicContact CG2-CD1 4.11Å; I98-F285 HydrophobicContact CG2-CE1 3.95Å; I132-F285 HydrophobicContact CD1-CE2 3.97Å; I132-F285 HydrophobicContact CD1-CZ 3.86Å; I162-F285 HydrophobicContact CD1-CD2 4.41Å; I162-F285 HydrophobicContact CD1-CE2 4.14Å; I162-F285 HydrophobicContact CG2-CD2 4.16Å; I162-F285 HydrophobicContact CG2-CE2 4.06Å; F164-F285 HydrophobicContact CE2-CD2 4.11Å; F164-F285 AromaticContact CE2-CE2 3.91Å; F164-F285 HydrophobicContact CE2-CE2 3.91Å; F164-F285 AromaticContact CZ-CD2 3.64Å; F164-F285 HydrophobicContact CZ-CD2 3.64Å; F164-F285 AromaticContact CZ-CE2 3.88Å; F164-F285 HydrophobicContact CZ-CE2 3.88Å; F164-F285 HydrophobicContact CZ-CG 4.31Å; F272-F285 HydrophobicContact CE1-CB 4.36Å; F272-F285 HydrophobicContact CE2-CD2 4.37Å; F272-F285 HydrophobicContact CZ-CB 3.96Å; F272-F285 HydrophobicContact CZ-CD2 4.47Å; L276-F285 HydrophobicContact CD1-CD1 4.23Å; L276-F285 HydrophobicContact CD1-CE1 4.4Å; L276-F285 HydrophobicContact CD2-CB 3.86Å; L276-F285 HydrophobicContact CD2-CD1 4.36Å; L276-F285 HydrophobicContact CD2-CG 4.08Å; H281-F285 WeakPolarHBondContact O-CB 3.3Å; H281-F285 PolarHBondContact O-N 3.04Å; K282-F285 PolarHBondContact O-N 3Å; L283-F285 PolarHBondContact O-N 3.46Å; F285-A288 PolarHBondContact O-N 2.8Å; F285-I289 HydrophobicContact CD1-CD1 4.15Å; F285-I289 HydrophobicContact CE1-CD1 3.61Å; F285-I289 HydrophobicContact CE2-CD1 4.04Å; F285-I289 HydrophobicContact CE2-CG1 4.33Å; F285-I289 HydrophobicContact CZ-CD1 3.55Å; F285-I289 HydrophobicContact CZ-CG1 4.31Å; F285-I289 WeakPolarHBondContact O-CG1 3.38Å; F285-I289 PolarHBondContact O-N 3.25Å
286I97.4Very high95.7Very high11 Ų1125.6 Ų25.66%0.05613%0.128CC..Hα-helixtrans-68.4-40176.9-61.2160000110.7I98 I204 K282 L283 A288 I289 S290 L510 L511I98-I286 HydrophobicContact CG2-CG1 4.07Å; I204-I286 HydrophobicContact CD1-CB 4.44Å; I204-I286 HydrophobicContact CD1-CG2 3.56Å; K282-I286 WeakPolarHBondContact O-CD1 3.32Å; K282-I286 WeakPolarHBondContact O-CG1 3.36Å; K282-I286 PolarHBondContact O-N 2.86Å; L283-I286 PolarHBondContact O-N 3.26Å; L283-I286 VanDerWaalsContact O-N 3.13Å; I286-A288 VanDerWaalsContact C-N 3.33Å; I286-I289 PolarHBondContact O-N 2.78Å; I286-S290 WeakPolarHBondContact O-CB 3.4Å; I286-S290 PolarHBondContact O-N 3.47Å; I286-L510 HydrophobicContact CD1-CD1 4.21Å; I286-L510 HydrophobicContact CD1-CD2 3.44Å; I286-L510 VanDerWaalsContact CD1-CD2 3.44Å; I286-L510 HydrophobicContact CD1-CG 3.71Å; I286-L511 HydrophobicContact CD1-CD2 3.58Å; I286-L511 HydrophobicContact CG1-CD2 4.35Å
287D97.8Very high95.7Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-61.5-41.8173.4-86.3-15.9000111.5L201 R203 I204 T205 L283 I284 S290 F291L201-D287 WeakPolarHBondContact O-CB 3.24Å; R203-D287 WeakPolarHBondContact CB-OD1 3.43Å; R203-D287 PolarHBondContact N-OD1 2.92Å; R203-D287 PolarHBondContact N-OD2 3.43Å; I204-D287 WeakPolarHBondContact CB-OD1 3.5Å; I204-D287 WeakPolarHBondContact CG1-OD1 3.41Å; I204-D287 PolarHBondContact N-OD1 3.3Å; I204-D287 PolarHBondContact N-OD2 2.92Å; T205-D287 WeakPolarHBondContact CB-OD2 3.43Å; T205-D287 PolarHBondContact N-OD2 3.26Å; T205-D287 PolarHBondContact OG1-OD2 2.97Å; L283-D287 PolarHBondContact O-N 3.02Å; I284-D287 PolarHBondContact O-N 3.17Å; D287-S290 PolarHBondContact O-N 2.81Å; D287-F291 VanDerWaalsContact O-CB 3.31Å; D287-F291 WeakPolarHBondContact O-CB 3.3Å; D287-F291 PolarHBondContact O-N 3.39Å
288A98.2Very high95.9Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-62.6-45.4175.600000112I162 V270 I284 F285 I286 S290 F291 L292I162-A288 HydrophobicContact CD1-CB 4.06Å; V270-A288 HydrophobicContact CB-CB 4.09Å; V270-A288 HydrophobicContact CG1-CB 4.03Å; V270-A288 HydrophobicContact CG2-CB 4.01Å; I284-A288 VanDerWaalsContact O-CB 3.23Å; I284-A288 WeakPolarHBondContact O-CB 3.42Å; I284-A288 PolarHBondContact O-N 2.65Å; F285-A288 PolarHBondContact O-N 2.8Å; I286-A288 VanDerWaalsContact C-N 3.33Å; A288-S290 VanDerWaalsContact C-N 3.35Å; A288-S290 PolarHBondContact O-N 2.66Å; A288-F291 PolarHBondContact O-N 2.96Å; A288-L292 VanDerWaalsContact O-CB 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.45Å; A288-L292 VanDerWaalsContact O-CG 3.29Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.47Å
289I98Very high95.9Very high1 Ų124.6 Ų24.61%0.00513%0.125CC..Hα-helixtrans-59.7-47.1174.2-69169.1000110.4L99 F104 I130 I162 F285 I286 F291 S293 L297L99-I289 HydrophobicContact CD2-CD1 3.85Å; F104-I289 HydrophobicContact CD2-CG2 3.98Å; F104-I289 HydrophobicContact CE2-CG2 3.82Å; I130-I289 HydrophobicContact CD1-CG2 4.2Å; I162-I289 HydrophobicContact CD1-CG1 3.75Å; F285-I289 HydrophobicContact CD1-CD1 4.15Å; F285-I289 HydrophobicContact CE1-CD1 3.61Å; F285-I289 HydrophobicContact CE2-CD1 4.04Å; F285-I289 HydrophobicContact CE2-CG1 4.33Å; F285-I289 HydrophobicContact CZ-CD1 3.55Å; F285-I289 HydrophobicContact CZ-CG1 4.31Å; F285-I289 WeakPolarHBondContact O-CG1 3.38Å; F285-I289 PolarHBondContact O-N 3.25Å; I286-I289 PolarHBondContact O-N 2.78Å; I289-F291 VanDerWaalsContact C-N 3.33Å; I289-F291 PolarHBondContact O-N 3.38Å; I289-S293 WeakPolarHBondContact O-CB 3.23Å; I289-S293 PolarHBondContact O-N 3.02Å; I289-S293 PolarHBondContact O-OG 2.96Å; I289-L297 HydrophobicContact CG2-CB 3.7Å; I289-L297 HydrophobicContact CG2-CD1 4.28Å
290S96.8Very high96Very high1 Ų126.6 Ų26.61%0.00714%0.142CC..Hα-helixtrans-62.6-39.9-179.8-177.40000112.1R203 I286 D287 A288 S293 K295 L297 A298R203-S290 VanDerWaalsContact CD-OG 3.31Å; R203-S290 WeakPolarHBondContact CD-OG 3.37Å; R203-S290 PolarHBondContact NH1-OG 2.86Å; I286-S290 WeakPolarHBondContact O-CB 3.4Å; I286-S290 PolarHBondContact O-N 3.47Å; D287-S290 PolarHBondContact O-N 2.81Å; A288-S290 VanDerWaalsContact C-N 3.35Å; A288-S290 PolarHBondContact O-N 2.66Å; S290-S293 PolarHBondContact O-OG 2.89Å; S290-K295 WeakPolarHBondContact O-CA 3.42Å; S290-K295 PolarHBondContact O-N 3.44Å; S290-L297 WeakPolarHBondContact CA-O 3.34Å; S290-A298 WeakPolarHBondContact OG-CB 3.26Å
291F96.3Very high96.1Very high55 Ų5528.5 Ų28.524%0.24115%0.152CC..Hα-helixtrans-72.4-53.2179.9-179.3-89.6000111.2I71 P200 L201 D287 A288 I289 S293 G294I71-F291 HydrophobicContact CD1-CD1 4.37Å; I71-F291 HydrophobicContact CD1-CE1 4.26Å; I71-F291 WeakPolarHBondContact CD1-O 3.25Å; P200-F291 HydrophobicContact CB-CE2 3.93Å; P200-F291 HydrophobicContact CB-CZ 4.42Å; P200-F291 HydrophobicContact CG-CE2 4.25Å; P200-F291 HydrophobicContact CG-CZ 4.29Å; P200-F291 VanDerWaalsContact O-CD2 3.26Å; P200-F291 WeakPolarHBondContact O-CD2 3.42Å; P200-F291 WeakPolarHBondContact O-CE2 3.5Å; L201-F291 HydrophobicContact CD2-CB 3.78Å; L201-F291 HydrophobicContact CD2-CD1 3.23Å; L201-F291 HydrophobicContact CD2-CD2 4.02Å; L201-F291 HydrophobicContact CD2-CE1 3.75Å; L201-F291 HydrophobicContact CD2-CE2 4.45Å; L201-F291 HydrophobicContact CD2-CG 3.39Å; L201-F291 HydrophobicContact CD2-CZ 4.33Å; D287-F291 VanDerWaalsContact O-CB 3.31Å; D287-F291 WeakPolarHBondContact O-CB 3.3Å; D287-F291 PolarHBondContact O-N 3.39Å; A288-F291 PolarHBondContact O-N 2.96Å; I289-F291 VanDerWaalsContact C-N 3.33Å; I289-F291 PolarHBondContact O-N 3.38Å; F291-S293 PolarHBondContact O-N 2.76Å; F291-G294 PolarHBondContact O-N 3.36Å
292L96.5Very high96.2Very high1 Ų129.5 Ų29.51%0.00516%0.157CC..Hα-helixtrans-69.9-17.4-174.7-66.4178.7000113.7I71 I130 I162 Q268 V270 A288 G294I71-L292 HydrophobicContact CD1-CD2 4.36Å; I130-L292 HydrophobicContact CD1-CB 4.09Å; I130-L292 HydrophobicContact CG1-CB 4.38Å; I162-L292 HydrophobicContact CD1-CD1 4.17Å; I162-L292 HydrophobicContact CG1-CD1 3.59Å; Q268-L292 HydrophobicContact CB-CD2 4.13Å; V270-L292 HydrophobicContact CB-CD1 4.37Å; V270-L292 HydrophobicContact CG2-CD1 3.93Å; V270-L292 HydrophobicContact CG2-CG 4.4Å; A288-L292 VanDerWaalsContact O-CB 3.22Å; A288-L292 WeakPolarHBondContact O-CB 3.45Å; A288-L292 VanDerWaalsContact O-CG 3.29Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.47Å; L292-G294 VanDerWaalsContact C-N 3.35Å
293S95.3Very high96.3Very high0 Ų027.9 Ų27.90%015%0.15CC..THydrogen-bonded Turntrans-89.44.1172.263.10000113.7M129 I289 S290 F291 K295 K296 L297M129-S293 WeakPolarHBondContact CE-O 3.21Å; I289-S293 WeakPolarHBondContact O-CB 3.23Å; I289-S293 PolarHBondContact O-N 3.02Å; I289-S293 PolarHBondContact O-OG 2.96Å; S290-S293 PolarHBondContact O-OG 2.89Å; F291-S293 PolarHBondContact O-N 2.76Å; S293-K295 PolarHBondContact O-N 3.25Å; S293-K296 WeakPolarHBondContact O-CB 3.34Å; S293-K296 WeakPolarHBondContact O-CG 3.27Å; S293-K296 PolarHBondContact O-N 2.82Å; S293-L297 PolarHBondContact OG-N 3.42Å
294G93Very high96.4Very high36 Ų3629.5 Ų29.537%0.37116%0.156SC..THydrogen-bonded Turntrans60.333.8-171.600000112.4F291 L292 K296F291-G294 PolarHBondContact O-N 3.36Å; L292-G294 VanDerWaalsContact C-N 3.35Å; G294-K296 PolarHBondContact O-N 2.91Å
295K92.9Very high96.5Very high150 Ų15030 Ų3065%0.65216%0.159SC*.THydrogen-bonded Turntrans64.217.1-176-53.8175.4-179.2173.30115.3S290 S293 A298S290-K295 WeakPolarHBondContact O-CA 3.42Å; S290-K295 PolarHBondContact O-N 3.44Å; S293-K295 PolarHBondContact O-N 3.25Å; K295-A298 HydrophobicContact CB-CB 4.42Å; K295-A298 WeakPolarHBondContact O-CB 3.35Å
296K94.4Very high96.5Very high141 Ų14130 Ų3061%0.61316%0.159SC*.SBendtrans-75-35.4171.8-69.9-70.3-172.5175.20112.5P73 M129 S293 G294P73-K296 HydrophobicContact CB-CG 3.86Å; P73-K296 HydrophobicContact CG-CG 3.95Å; M129-K296 HydrophobicContact CE-CB 3.75Å; M129-K296 HydrophobicContact CE-CG 4.09Å; M129-K296 HydrophobicContact SD-CB 4.18Å; S293-K296 WeakPolarHBondContact O-CB 3.34Å; S293-K296 WeakPolarHBondContact O-CG 3.27Å; S293-K296 PolarHBondContact O-N 2.82Å; G294-K296 PolarHBondContact O-N 2.91Å
297L95.6Very high96.5Very high7 Ų729.6 Ų29.64%0.03716%0.157CC..SBendtrans-101.879.7172.3-63.9176.4000108.6P78 V80 F104 M129 I130 I289 S290 S293P78-L297 HydrophobicContact CB-CD2 4.22Å; V80-L297 HydrophobicContact CG2-CD1 3.66Å; F104-L297 HydrophobicContact CB-CD2 4.23Å; F104-L297 HydrophobicContact CD1-CB 4.31Å; F104-L297 HydrophobicContact CD1-CD2 4Å; F104-L297 HydrophobicContact CD2-CB 4.21Å; F104-L297 HydrophobicContact CE1-CB 4.31Å; F104-L297 HydrophobicContact CE2-CB 4.19Å; F104-L297 HydrophobicContact CG-CB 4.28Å; F104-L297 HydrophobicContact CG-CD2 4.11Å; F104-L297 VanDerWaalsContact CZ-C 3.46Å; F104-L297 HydrophobicContact CZ-CB 4.24Å; M129-L297 HydrophobicContact CG-CD1 4.01Å; M129-L297 HydrophobicContact SD-CD1 3.61Å; M129-L297 HydrophobicContact SD-CD2 4.43Å; M129-L297 HydrophobicContact SD-CG 3.6Å; M129-L297 VanDerWaalsContact SD-CG 3.6Å; I130-L297 HydrophobicContact CD1-CD1 4.48Å; I289-L297 HydrophobicContact CG2-CB 3.7Å; I289-L297 HydrophobicContact CG2-CD1 4.28Å; S290-L297 WeakPolarHBondContact CA-O 3.34Å; S293-L297 PolarHBondContact OG-N 3.42Å
298A95.6Very high96.5Very high32 Ų3229.6 Ų29.626%0.26416%0.157SC..  trans-149.6129.8-174.100000111.1S290 K295S290-A298 WeakPolarHBondContact OG-CB 3.26Å; K295-A298 HydrophobicContact CB-CB 4.42Å; K295-A298 WeakPolarHBondContact O-CB 3.35Å
299L95Very high96.5Very high28 Ų2829.6 Ų29.615%0.14716%0.157CC..  trans-79.8157167.2-58.2178.4000110.1F104 R203 L511 P513F104-L299 HydrophobicContact CE1-CD2 4.32Å; F104-L299 HydrophobicContact CZ-CG 4.34Å; R203-L299 VanDerWaalsContact CZ-O 3.32Å; R203-L299 PolarHBondContact NH1-O 3.3Å; R203-L299 PolarHBondContact NH2-O 3.47Å; L299-L511 VanDerWaalsContact CD1-O 3.26Å; L299-L511 WeakPolarHBondContact CD1-O 3.36Å; L299-P513 HydrophobicContact CD2-CG 4.24Å
300S95.1Very high96.5Very high61 Ų6129.7 Ų29.743%0.42716%0.157SC..  trans-54.5165170.2-176.80000111.3D302 R303S300-D302 PolarHBondContact OG-N 3.49Å; S300-D302 VanDerWaalsContact OG-N 3.17Å; S300-R303 PolarHBondContact O-NH1 2.72Å; S300-R303 PolarHBondContact O-NH2 3.31Å
301L97.1Very high96.6Very high40 Ų4030.6 Ų30.621%0.20916%0.162CC..SBendtrans-86.1-16167.4-67.8179.7000112.4R203 I204 L547 R548R203-L301 HydrophobicContact CG-CD2 4.42Å; I204-L301 HydrophobicContact CG1-CD2 3.97Å; L301-L547 HydrophobicContact CD2-CD2 4.13Å; L301-L547 WeakPolarHBondContact O-CA 3.3Å; L301-R548 PolarHBondContact O-N 3.28Å
302D97.6Very high96.7Very high20 Ų2028 Ų2811%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-76.3138.1175.1-63.2-61.4000110.5S300 Y304 R548 R550S300-D302 PolarHBondContact OG-N 3.49Å; S300-D302 VanDerWaalsContact OG-N 3.17Å; D302-Y304 HydrophobicContact CB-CE2 4.4Å; D302-R548 WeakPolarHBondContact CA-O 3.4Å; D302-R548 WeakPolarHBondContact OD1-CB 2.99Å; D302-R548 IonicContact OD1-CZ 2.99Å; D302-R548 IonicContact OD1-NE 3.49Å; D302-R548 PolarHBondContact OD1-NE 3.27Å; D302-R548 IonicContact OD1-NH2 2.7Å; D302-R548 PolarHBondContact OD1-NH2 3.22Å; D302-R548 IonicContact OD2-CZ 3.37Å; D302-R548 IonicContact OD2-NE 3.96Å; D302-R548 IonicContact OD2-NH2 3.99Å; D302-R548 PolarHBondContact OD2-NH2 3.45Å; D302-R550 IonicContact OD1-CZ 2.59Å; D302-R550 VanDerWaalsContact OD1-CZ 3.23Å; D302-R550 IonicContact OD1-NE 3.71Å; D302-R550 PolarHBondContact OD1-NE 3.45Å; D302-R550 IonicContact OD1-NH2 2.76Å; D302-R550 PolarHBondContact OD1-NH2 2.92Å; D302-R550 IonicContact OD2-NH2 3.8Å
303R97.9Very high96.7Very high2 Ų227.9 Ų27.91%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-127.4123.9174.1-66.6-63.8179.2-78.9-2.1109S300 V509 L510 N512 L547 R548 L549 R550S300-R303 PolarHBondContact O-NH1 2.72Å; S300-R303 PolarHBondContact O-NH2 3.31Å; R303-V509 HydrophobicContact CB-CG1 4.28Å; R303-V509 WeakPolarHBondContact CD-O 3.41Å; R303-V509 HydrophobicContact CG-CG1 4.12Å; R303-V509 PolarHBondContact NE-O 3.3Å; R303-L510 PolarHBondContact NE-O 3.27Å; R303-L510 PolarHBondContact NH2-O 2.75Å; R303-N512 WeakPolarHBondContact CD-O 3.43Å; R303-L547 HydrophobicContact CG-CB 4.42Å; R303-L547 HydrophobicContact CG-CD1 4.19Å; R303-L547 HydrophobicContact CG-CD2 4.38Å; R303-R548 PolarHBondContact N-O 2.76Å; R303-L549 HydrophobicContact CB-CD2 3.69Å; R303-L549 HydrophobicContact CG-CD2 4.34Å; R303-L549 CarbonylContact O-C 3.09Å; R303-L549 WeakPolarHBondContact O-CA 3.49Å; R303-R550 PolarHBondContact O-N 2.83Å
304Y98.5Very high96.7Very high33 Ų3329 Ų2913%0.12916%0.157CC..EExtended strand (participates in β ladder)trans-97.3123.5178.1-59.9-87000109.7D302 P513 I514 S515 R550 L552 L557 K560D302-Y304 HydrophobicContact CB-CE2 4.4Å; Y304-P513 PolarHBondContact N-O 3.02Å; Y304-I514 HydrophobicContact CD2-CG1 3.99Å; Y304-I514 HydrophobicContact CG-CG1 4.33Å; Y304-I514 CarbonylContact O-C 3.57Å; Y304-I514 WeakPolarHBondContact O-CA 3.37Å; Y304-S515 PolarHBondContact O-N 2.79Å; Y304-R550 CarbonylContact C-O 3.45Å; Y304-R550 WeakPolarHBondContact CA-O 3.48Å; Y304-R550 HydrophobicContact CD1-CB 3.98Å; Y304-R550 HydrophobicContact CE1-CB 4.17Å; Y304-L552 HydrophobicContact CD1-CD1 3.58Å; Y304-L552 HydrophobicContact CD1-CG 3.71Å; Y304-L552 HydrophobicContact CE1-CD1 3.47Å; Y304-L552 VanDerWaalsContact CE1-CD1 3.47Å; Y304-L552 HydrophobicContact CE1-CD2 4.47Å; Y304-L552 HydrophobicContact CE1-CG 3.81Å; Y304-L552 HydrophobicContact CG-CD1 4.49Å; Y304-L557 HydrophobicContact CD1-CD1 4.48Å; Y304-L557 HydrophobicContact CG-CD1 4.15Å; Y304-K560 HydrophobicContact CE2-CG 4.08Å
305I98.1Very high96.4Very high11 Ų1128.8 Ų28.86%0.05615%0.154CC..EExtended strand (participates in β ladder)trans-123129-178.7-58.1179.6000108.6V307 V509 S515 F517 L549 R550 T551I305-V307 HydrophobicContact CG2-CG2 4.14Å; I305-V509 HydrophobicContact CD1-CG1 4.07Å; I305-V509 HydrophobicContact CD1-CG2 3.95Å; I305-S515 WeakPolarHBondContact CA-O 3.28Å; I305-F517 HydrophobicContact CG2-CD2 3.72Å; I305-F517 HydrophobicContact CG2-CE2 3.79Å; I305-L549 HydrophobicContact CD1-CD1 4.11Å; I305-L549 HydrophobicContact CD1-CD2 3.67Å; I305-L549 HydrophobicContact CD1-CG 4.34Å; I305-L549 HydrophobicContact CG1-CD2 4.49Å; I305-R550 PolarHBondContact N-O 2.75Å; I305-T551 WeakPolarHBondContact O-CB 3.38Å; I305-T551 WeakPolarHBondContact O-CG2 3.42Å; I305-T551 PolarHBondContact O-OG1 3.38Å
306L98.3Very high96.3Very high1 Ų129.8 Ų29.81%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-120.4131.8167.7-179.966.2000107.7N346 W376 S515 V516 F517 T551 P554 L557L306-N346 HydrophobicContact CD1-CB 4.02Å; L306-W376 HydrophobicContact CD1-CE3 4.12Å; L306-W376 HydrophobicContact CD1-CZ3 3.98Å; L306-S515 PolarHBondContact N-O 2.83Å; L306-V516 HydrophobicContact CB-CG1 4.4Å; L306-V516 HydrophobicContact CB-CG2 4.35Å; L306-V516 HydrophobicContact CD2-CG1 4.07Å; L306-V516 HydrophobicContact CD2-CG2 4.36Å; L306-V516 HydrophobicContact CG-CG1 4.4Å; L306-V516 CarbonylContact O-C 3.38Å; L306-V516 WeakPolarHBondContact O-CA 3.32Å; L306-F517 PolarHBondContact O-N 3.08Å; L306-T551 HydrophobicContact CD1-CG2 4.38Å; L306-P554 HydrophobicContact CD2-CB 4.36Å; L306-P554 HydrophobicContact CD2-CG 3.99Å; L306-L557 HydrophobicContact CB-CD2 3.86Å; L306-L557 HydrophobicContact CD2-CD2 4.09Å
307V98.6Very high96.2Very high1 Ų129.8 Ų29.81%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-113107.6176.3-1770000107.9I305 F343 F345 N346 Y524 F534I305-V307 HydrophobicContact CG2-CG2 4.14Å; V307-F343 HydrophobicContact CB-CZ 4.44Å; V307-F343 HydrophobicContact CG2-CE2 4.08Å; V307-F343 HydrophobicContact CG2-CZ 4.2Å; V307-F345 HydrophobicContact CB-CD1 3.98Å; V307-F345 HydrophobicContact CB-CE1 4.13Å; V307-F345 HydrophobicContact CG1-CD1 3.91Å; V307-F345 HydrophobicContact CG1-CE1 3.87Å; V307-N346 PolarHBondContact O-N 2.85Å; V307-N346 VanDerWaalsContact O-N 3.13Å; V307-Y524 WeakPolarHBondContact CG1-OH 3.26Å; V307-F534 HydrophobicContact CB-CE2 4.43Å; V307-F534 HydrophobicContact CG1-CD2 3.96Å; V307-F534 HydrophobicContact CG1-CE2 3.48Å; V307-F534 VanDerWaalsContact CG1-CE2 3.48Å; V307-F534 HydrophobicContact CG1-CZ 3.88Å; V307-F534 HydrophobicContact CG2-CD1 3.92Å; V307-F534 HydrophobicContact CG2-CD2 4.15Å; V307-F534 HydrophobicContact CG2-CE1 3.79Å; V307-F534 HydrophobicContact CG2-CE2 4.01Å; V307-F534 HydrophobicContact CG2-CG 4.12Å; V307-F534 HydrophobicContact CG2-CZ 3.84Å
308D98.4Very high96Very high0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-91.2128.1175.7-74.3-8.9000108.8N346 F378 Y418 R474 F517 T519D308-N346 CarbonylContact C-O 3.18Å; D308-N346 WeakPolarHBondContact CA-O 3.37Å; D308-N346 WeakPolarHBondContact OD1-CB 3.3Å; D308-N346 PolarHBondContact OD1-ND2 2.97Å; D308-F378 HydrophobicContact CB-CE1 4.12Å; D308-F378 HydrophobicContact CB-CZ 4.13Å; D308-Y418 WeakPolarHBondContact OD2-CE1 3.37Å; D308-Y418 PolarHBondContact OD2-OH 3.23Å; D308-R474 IonicContact OD2-CZ 2.99Å; D308-R474 IonicContact OD2-NE 3.48Å; D308-R474 IonicContact OD2-NH1 3.7Å; D308-R474 IonicContact OD2-NH2 3.45Å; D308-F517 PolarHBondContact N-O 2.84Å; D308-T519 PolarHBondContact O-N 2.79Å; D308-T519 PolarHBondContact O-OG1 3.11Å
309I98.4Very high95.8Very high0 Ų031.5 Ų31.50%018%0.177CC..EExtended strand (participates in β ladder)trans-104.193.9171.8-49-178000106.8I312 L329 F345 N346 L347 G348 Y524I309-I312 HydrophobicContact CB-CD1 4.32Å; I309-I312 HydrophobicContact CG2-CD1 3.71Å; I309-L329 HydrophobicContact CD1-CD1 3.98Å; I309-L329 HydrophobicContact CD1-CD2 4.49Å; I309-F345 HydrophobicContact CD1-CB 4.12Å; I309-F345 HydrophobicContact CD1-CD1 3.84Å; I309-F345 HydrophobicContact CD1-CE1 4.46Å; I309-F345 HydrophobicContact CD1-CG 4.07Å; I309-F345 HydrophobicContact CG1-CD1 4.23Å; I309-N346 PolarHBondContact N-O 2.83Å; I309-L347 HydrophobicContact CD1-CD1 4.07Å; I309-L347 HydrophobicContact CG1-CD1 4.48Å; I309-G348 PolarHBondContact O-N 3.06Å; I309-Y524 HydrophobicContact CB-CE2 4.13Å; I309-Y524 HydrophobicContact CD1-CD1 4.13Å; I309-Y524 HydrophobicContact CD1-CD2 3.94Å; I309-Y524 HydrophobicContact CD1-CE1 3.75Å; I309-Y524 HydrophobicContact CD1-CE2 3.57Å; I309-Y524 HydrophobicContact CD1-CG 4.22Å; I309-Y524 VanDerWaalsContact CD1-CZ 3.45Å; I309-Y524 HydrophobicContact CG1-CD2 4.25Å; I309-Y524 HydrophobicContact CG1-CE1 4.4Å; I309-Y524 HydrophobicContact CG1-CE2 3.53Å; I309-Y524 HydrophobicContact CG2-CD2 3.72Å; I309-Y524 HydrophobicContact CG2-CE2 3.65Å
310D98Very high95.9Very high4 Ų430.3 Ų30.32%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-70.2170.9174.3-65.65.3000109.3I312 F378 H380 R474 T519 H520 L521D310-I312 VanDerWaalsContact C-N 3.32Å; D310-I312 PolarHBondContact O-N 2.89Å; D310-F378 VanDerWaalsContact OD1-CZ 3.23Å; D310-F378 WeakPolarHBondContact OD1-CZ 3.31Å; D310-H380 IonicContact OD2-CE1 3.15Å; D310-R474 IonicContact OD1-CZ 3.74Å; D310-R474 IonicContact OD1-NH1 2.7Å; D310-R474 PolarHBondContact OD1-NH1 3.39Å; D310-R474 IonicContact OD1-NH2 3.78Å; D310-R474 PolarHBondContact OD1-NH2 3.31Å; D310-R474 IonicContact OD2-CZ 2.75Å; D310-R474 IonicContact OD2-NH1 3.23Å; D310-R474 PolarHBondContact OD2-NH1 3.39Å; D310-R474 IonicContact OD2-NH2 2.83Å; D310-R474 PolarHBondContact OD2-NH2 3.27Å; D310-R474 VanDerWaalsContact OD2-NH2 3.11Å; D310-T519 PolarHBondContact N-O 3.49Å; D310-H520 CarbonylContact O-C 3.58Å; D310-H520 WeakPolarHBondContact O-CA 3.35Å; D310-L521 PolarHBondContact O-N 3.07Å
311D97.4Very high96Very high19 Ų1927.4 Ų27.410%0.10215%0.15CC..EExtended strand (participates in β ladder)trans64.627.5171.3-63.4-2.9000115.1F313 V314 G348 H380 H384 H520 L521D311-F313 PolarHBondContact O-N 3.26Å; D311-V314 HydrophobicContact CB-CB 3.84Å; D311-V314 HydrophobicContact CB-CG1 4.47Å; D311-V314 WeakPolarHBondContact O-CA 3.2Å; D311-V314 PolarHBondContact O-N 3.35Å; D311-V314 VanDerWaalsContact O-O 3.06Å; D311-G348 PolarHBondContact N-O 3.14Å; D311-H380 IonicContact OD1-CD2 3.72Å; D311-H380 PolarHBondContact OD1-CD2 3.34Å; D311-H380 IonicContact OD1-NE2 3.92Å; D311-H380 PolarHBondContact OD1-NE2 3.41Å; D311-H384 IonicContact OD1-CD2 3Å; D311-H384 PolarHBondContact OD1-CD2 2.87Å; D311-H384 IonicContact OD1-CE1 2.68Å; D311-H384 IonicContact OD1-NE2 2.73Å; D311-H384 PolarHBondContact OD1-NE2 3.31Å; D311-H520 HydrophobicContact CB-CB 4.42Å; D311-H520 IonicContact OD2-CD2 3.95Å; D311-H520 PolarHBondContact OD2-CD2 2.9Å; D311-L521 VanDerWaalsContact O-CB 3.23Å; D311-L521 WeakPolarHBondContact O-CB 3.27Å
312I98.3Very high96Very high0 Ų027.9 Ų27.90%015%0.153CC..EExtended strand (participates in β ladder)trans-60.8127.1169.9-58-63.7000109.4I309 D310 V314 M321 L347 G348 F349 S350 L368 W377 L521I309-I312 HydrophobicContact CB-CD1 4.32Å; I309-I312 HydrophobicContact CG2-CD1 3.71Å; D310-I312 VanDerWaalsContact C-N 3.32Å; D310-I312 PolarHBondContact O-N 2.89Å; I312-V314 PolarHBondContact O-N 3.49Å; I312-M321 HydrophobicContact CD1-CE 4Å; I312-L347 HydrophobicContact CD1-CB 4.44Å; I312-L347 HydrophobicContact CD1-CD2 4.15Å; I312-L347 HydrophobicContact CD1-CG 3.89Å; I312-L347 HydrophobicContact CG1-CB 3.85Å; I312-L347 HydrophobicContact CG1-CD2 4.3Å; I312-L347 HydrophobicContact CG1-CG 3.87Å; I312-G348 WeakPolarHBondContact CB-O 3.33Å; I312-G348 PolarHBondContact N-O 3.03Å; I312-F349 HydrophobicContact CB-CB 4.04Å; I312-F349 HydrophobicContact CG2-CB 4.26Å; I312-S350 PolarHBondContact O-N 3.41Å; I312-S350 VanDerWaalsContact O-N 3.16Å; I312-L368 HydrophobicContact CG2-CD1 4.39Å; I312-W377 HydrophobicContact CG2-CZ3 4.12Å; I312-L521 HydrophobicContact CD1-CB 4.28Å; I312-L521 HydrophobicContact CD1-CD1 4.14Å
313F97.4Very high96Very high0 Ų028.8 Ų28.80%016%0.159CC..THydrogen-bonded Turntrans69.3-5.8-166.1-45.4-52000116.2D311 R320 F349 F353 Y354 D365 L368 L369 F406D311-F313 PolarHBondContact O-N 3.26Å; F313-R320 VanDerWaalsContact O-CZ 3.24Å; F313-R320 PolarHBondContact O-NH1 3.03Å; F313-R320 PolarHBondContact O-NH2 2.92Å; F313-F349 HydrophobicContact CD2-CB 4.25Å; F313-F349 HydrophobicContact CE2-CB 4.24Å; F313-F353 HydrophobicContact CB-CB 4.29Å; F313-F353 WeakPolarHBondContact O-CB 3.46Å; F313-Y354 AromaticContact CD1-CD2 3.91Å; F313-Y354 HydrophobicContact CD1-CD2 3.91Å; F313-Y354 HydrophobicContact CD2-CD2 4.49Å; F313-Y354 AromaticContact CE1-CD2 3.71Å; F313-Y354 HydrophobicContact CE1-CD2 3.71Å; F313-Y354 HydrophobicContact CE1-CE2 4.11Å; F313-Y354 HydrophobicContact CE2-CD2 4.31Å; F313-Y354 HydrophobicContact CG-CD2 4.31Å; F313-Y354 AromaticContact CZ-CD2 3.93Å; F313-Y354 HydrophobicContact CZ-CD2 3.93Å; F313-Y354 HydrophobicContact CZ-CE2 4.31Å; F313-D365 HydrophobicContact CD1-CB 3.98Å; F313-D365 VanDerWaalsContact CD1-CG 3.46Å; F313-D365 WeakPolarHBondContact CD1-OD1 3.43Å; F313-D365 HydrophobicContact CE1-CB 3.76Å; F313-L368 HydrophobicContact CE1-CD1 4.49Å; F313-L369 HydrophobicContact CE2-CD2 4.36Å; F313-L369 HydrophobicContact CZ-CD1 4.26Å; F313-L369 HydrophobicContact CZ-CD2 3.77Å; F313-L369 HydrophobicContact CZ-CG 3.93Å; F313-F406 HydrophobicContact CD2-CE1 4.39Å; F313-F406 HydrophobicContact CD2-CZ 4.43Å; F313-F406 AromaticContact CE2-CE1 3.86Å; F313-F406 HydrophobicContact CE2-CE1 3.86Å; F313-F406 HydrophobicContact CE2-CZ 4.03Å
314V93.9Very high96Very high24 Ų2433.4 Ų33.415%0.14518%0.184CC..  trans-96.9120.9178.8-174.10000109.5D311 I312 F353 H384D311-V314 HydrophobicContact CB-CB 3.84Å; D311-V314 HydrophobicContact CB-CG1 4.47Å; D311-V314 WeakPolarHBondContact O-CA 3.2Å; D311-V314 PolarHBondContact O-N 3.35Å; D311-V314 VanDerWaalsContact O-O 3.06Å; I312-V314 PolarHBondContact O-N 3.49Å; V314-F353 HydrophobicContact CG2-CD2 3.73Å; V314-F353 HydrophobicContact CG2-CE2 4.19Å; V314-F353 HydrophobicContact CG2-CG 4.38Å; V314-H384 HydrophobicContact CG1-CB 4.41Å; V314-H384 HydrophobicContact CG2-CB 4.09Å
315G87.6Confident96Very high30 Ų3032 Ų3231%0.30918%0.179SC..  trans168.4157.1179.600000112.1R320G315-R320 PolarHBondContact O-NH1 3.49Å
316K90.9Very high96.1Very high171 Ų17131.5 Ų31.574%0.74318%0.176SC*.  trans-79.2150.9172.9-65.9-177.6-179.8179.70109.6G318 T319K316-G318 PolarHBondContact O-N 3.16Å; K316-T319 PolarHBondContact N-OG1 3.21Å; K316-T319 PolarHBondContact O-N 3.27Å; K316-T319 PolarHBondContact O-OG1 2.86Å
317E92.3Very high96.1Very high141 Ų14136.3 Ų36.366%0.65920%0.197SC*.THydrogen-bonded Turntrans-48.3135.6169.6-166-174.6152.500111.2T319 T358E317-T319 VanDerWaalsContact C-N 3.3Å; E317-T358 HydrophobicContact CG-CG2 3.34Å; E317-T358 WeakPolarHBondContact OE1-CG2 3.39Å
318G91.4Very high96.1Very high43 Ų4336.7 Ų36.744%0.44320%0.2SC..THydrogen-bonded Turntrans84.7-4.3-176.800000114.7K316 E361 N526K316-G318 PolarHBondContact O-N 3.16Å; G318-E361 VanDerWaalsContact CA-OE1 3.27Å; G318-E361 WeakPolarHBondContact CA-OE1 3.36Å; G318-E361 PolarHBondContact N-OE1 2.72Å; G318-E361 PolarHBondContact N-OE2 3.15Å; G318-N526 PolarHBondContact O-ND2 3.28Å; G318-N526 VanDerWaalsContact O-ND2 3.09Å
319T92.3Very high96.1Very high33 Ų3336.7 Ų36.720%0.20220%0.2CC..SBendtrans-114.2-3.6177.368.10000113.3K316 E317 E361 I484K316-T319 PolarHBondContact N-OG1 3.21Å; K316-T319 PolarHBondContact O-N 3.27Å; K316-T319 PolarHBondContact O-OG1 2.86Å; E317-T319 VanDerWaalsContact C-N 3.3Å; T319-E361 PolarHBondContact N-OE1 3.29Å; T319-I484 HydrophobicContact CG2-CD1 3.52Å
320R95.2Very high96.1Very high3 Ų338.3 Ų38.31%0.01121%0.209CC..SBendtrans-87.7167.5-176-48.1167.568.593.5-7.3110.9F313 G315 F353 T356 E361 D365 L521F313-R320 VanDerWaalsContact O-CZ 3.24Å; F313-R320 PolarHBondContact O-NH1 3.03Å; F313-R320 PolarHBondContact O-NH2 2.92Å; G315-R320 PolarHBondContact O-NH1 3.49Å; R320-F353 PolarHBondContact NH2-O 2.78Å; R320-T356 PolarHBondContact NH1-OG1 3.3Å; R320-E361 HydrophobicContact CB-CB 4.02Å; R320-E361 HydrophobicContact CB-CG 3.85Å; R320-E361 WeakPolarHBondContact CB-OE1 3.34Å; R320-E361 WeakPolarHBondContact CD-OE2 3.38Å; R320-E361 PolarHBondContact N-OE1 3.03Å; R320-D365 IonicContact CZ-OD2 3.82Å; R320-D365 IonicContact NE-OD2 3.22Å; R320-D365 IonicContact NH2-OD1 2.64Å; R320-D365 IonicContact NH2-OD2 2.65Å; R320-D365 PolarHBondContact NH2-OD2 2.92Å; R320-L521 HydrophobicContact CB-CD2 4.03Å; R320-L521 HydrophobicContact CG-CD2 4.31Å
321M97.3Very high96.1Very high0 Ų044.5 Ų44.50%024%0.237CC..  trans-76.9130.9174.4-71.1-174.1-77.800110.1I312 D325 V326 L329 L368 L521 Y524I312-M321 HydrophobicContact CD1-CE 4Å; M321-D325 HydrophobicContact CB-CB 3.87Å; M321-D325 HydrophobicContact CG-CB 3.99Å; M321-V326 HydrophobicContact CB-CG2 4.1Å; M321-L329 HydrophobicContact SD-CD2 4.29Å; M321-L368 HydrophobicContact CE-CD1 3.8Å; M321-L368 HydrophobicContact CE-CD2 4.38Å; M321-L521 HydrophobicContact CE-CD1 3.88Å; M321-L521 HydrophobicContact CE-CG 3.87Å; M321-Y524 VanDerWaalsContact SD-CB 3.55Å
322N97.8Very high96.1Very high49 Ų4944.6 Ų44.626%0.26224%0.239SC..  trans-93.4-179.5164.964.755.1000111N324 D325 V326N322-N324 PolarHBondContact O-N 2.78Å; N322-N324 WeakPolarHBondContact OD1-CA 3.42Å; N322-N324 VanDerWaalsContact OD1-CB 3.32Å; N322-N324 WeakPolarHBondContact OD1-CB 3.48Å; N322-N324 PolarHBondContact OD1-N 3.1Å; N322-D325 VanDerWaalsContact CG-OD2 3.25Å; N322-D325 PolarHBondContact N-OD2 3.11Å; N322-D325 PolarHBondContact ND2-OD2 3.28Å; N322-D325 VanDerWaalsContact ND2-OD2 3.11Å; N322-D325 WeakPolarHBondContact O-CB 3.45Å; N322-D325 PolarHBondContact O-N 3.04Å; N322-D325 PolarHBondContact OD1-N 2.79Å; N322-D325 PolarHBondContact OD1-OD2 3.36Å; N322-V326 PolarHBondContact O-N 3.34Å; N322-V326 VanDerWaalsContact O-N 3.09Å
323V98.3Very high96.1Very high40 Ų4044.6 Ų44.624%0.24224%0.239CC..Hα-helixtrans-50.9-40178.3171.50000113.7D325 K327 K363 L367V323-D325 VanDerWaalsContact C-N 3.33Å; V323-K327 HydrophobicContact CG1-CD 4.31Å; V323-K327 WeakPolarHBondContact O-CG 3.33Å; V323-K327 PolarHBondContact O-N 3.41Å; V323-K327 VanDerWaalsContact O-N 3.11Å; V323-K363 HydrophobicContact CG2-CB 3.67Å; V323-L367 HydrophobicContact CG1-CD2 3.93Å
324N98.4Very high96.2Very high98 Ų9848.5 Ų48.552%0.52426%0.26SS..Hα-helixtrans-71.4-33.1-178.8-62.5-37.3000111.6N322 A328 R528N322-N324 PolarHBondContact O-N 2.78Å; N322-N324 WeakPolarHBondContact OD1-CA 3.42Å; N322-N324 VanDerWaalsContact OD1-CB 3.32Å; N322-N324 WeakPolarHBondContact OD1-CB 3.48Å; N322-N324 PolarHBondContact OD1-N 3.1Å; N324-A328 WeakPolarHBondContact O-CB 3.35Å; N324-A328 PolarHBondContact O-N 2.99Å; N324-R528 VanDerWaalsContact C-NH2 3.28Å; N324-R528 PolarHBondContact O-NH2 3.11Å
325D98.4Very high96.3Very high4 Ų451 Ų512%0.02127%0.272CS..Hα-helixtrans-69.9-43178-58.4-34.4000111M321 N322 V323 K327 A328 L329 R528M321-D325 HydrophobicContact CB-CB 3.87Å; M321-D325 HydrophobicContact CG-CB 3.99Å; N322-D325 VanDerWaalsContact CG-OD2 3.25Å; N322-D325 PolarHBondContact N-OD2 3.11Å; N322-D325 PolarHBondContact ND2-OD2 3.28Å; N322-D325 VanDerWaalsContact ND2-OD2 3.11Å; N322-D325 WeakPolarHBondContact O-CB 3.45Å; N322-D325 PolarHBondContact O-N 3.04Å; N322-D325 PolarHBondContact OD1-N 2.79Å; N322-D325 PolarHBondContact OD1-OD2 3.36Å; V323-D325 VanDerWaalsContact C-N 3.33Å; D325-K327 PolarHBondContact O-N 3.48Å; D325-A328 WeakPolarHBondContact O-CB 3.25Å; D325-A328 PolarHBondContact O-N 3.44Å; D325-L329 PolarHBondContact O-N 3.35Å; D325-R528 IonicContact OD1-CZ 3.25Å; D325-R528 VanDerWaalsContact OD1-CZ 3.22Å; D325-R528 IonicContact OD1-NE 3.85Å; D325-R528 PolarHBondContact OD1-NE 3.1Å; D325-R528 IonicContact OD1-NH2 2.78Å; D325-R528 PolarHBondContact OD1-NH2 3.47Å
326V98.4Very high96.8Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-64.4-39.4176.1179.60000111.6M321 N322 L329 L330 L367 L368M321-V326 HydrophobicContact CB-CG2 4.1Å; N322-V326 PolarHBondContact O-N 3.34Å; N322-V326 VanDerWaalsContact O-N 3.09Å; V326-L329 WeakPolarHBondContact O-CB 3.33Å; V326-L329 PolarHBondContact O-N 3.39Å; V326-L330 PolarHBondContact O-N 3.34Å; V326-L330 VanDerWaalsContact O-N 3.1Å; V326-L367 HydrophobicContact CB-CD2 4.01Å; V326-L367 HydrophobicContact CB-CG 4.31Å; V326-L367 HydrophobicContact CG1-CB 4.25Å; V326-L367 HydrophobicContact CG1-CD2 3.94Å; V326-L367 HydrophobicContact CG1-CG 3.78Å; V326-L368 HydrophobicContact CB-CD2 4.49Å; V326-L368 HydrophobicContact CG1-CD2 3.76Å; V326-L368 HydrophobicContact CG1-CG 4Å; V326-L368 HydrophobicContact CG2-CD1 4.27Å; V326-L368 HydrophobicContact CG2-CD2 4Å; V326-L368 HydrophobicContact CG2-CG 3.72Å
327K98.6Very high97.2Very high103 Ų10345.5 Ų45.545%0.44824%0.237SC..Hα-helixtrans-61-45.7172.2-74.1175.2-179177.80111.6V323 D325 L329 L330 E331 L367V323-K327 HydrophobicContact CG1-CD 4.31Å; V323-K327 WeakPolarHBondContact O-CG 3.33Å; V323-K327 PolarHBondContact O-N 3.41Å; V323-K327 VanDerWaalsContact O-N 3.11Å; D325-K327 PolarHBondContact O-N 3.48Å; K327-L329 VanDerWaalsContact C-N 3.28Å; K327-L329 PolarHBondContact O-N 3.04Å; K327-L330 PolarHBondContact O-N 2.95Å; K327-E331 WeakPolarHBondContact O-CG 3.43Å; K327-E331 PolarHBondContact O-N 3Å; K327-L367 HydrophobicContact CG-CD2 4.11Å
328A98.6Very high97.4Very high9 Ų943.2 Ų43.27%0.07423%0.233CC..Hα-helixtrans-63.6-34.8177.400000112.5N324 D325 T332 R528 L531N324-A328 WeakPolarHBondContact O-CB 3.35Å; N324-A328 PolarHBondContact O-N 2.99Å; D325-A328 WeakPolarHBondContact O-CB 3.25Å; D325-A328 PolarHBondContact O-N 3.44Å; A328-T332 VanDerWaalsContact O-CB 3.24Å; A328-T332 WeakPolarHBondContact O-CB 3.35Å; A328-T332 PolarHBondContact O-N 2.97Å; A328-T332 PolarHBondContact O-OG1 3.41Å; A328-R528 VanDerWaalsContact CB-NH1 3.34Å; A328-L531 HydrophobicContact CB-CD1 3.83Å
329L98.6Very high97.6Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-60.9-47.8173.6178.865.5000111.2I309 M321 D325 V326 K327 T332 Q333 F345 L368 F375 Y524 L531I309-L329 HydrophobicContact CD1-CD1 3.98Å; I309-L329 HydrophobicContact CD1-CD2 4.49Å; M321-L329 HydrophobicContact SD-CD2 4.29Å; D325-L329 PolarHBondContact O-N 3.35Å; V326-L329 WeakPolarHBondContact O-CB 3.33Å; V326-L329 PolarHBondContact O-N 3.39Å; K327-L329 VanDerWaalsContact C-N 3.28Å; K327-L329 PolarHBondContact O-N 3.04Å; L329-T332 PolarHBondContact O-N 3.5Å; L329-Q333 WeakPolarHBondContact O-CB 3.34Å; L329-Q333 PolarHBondContact O-N 3.02Å; L329-F345 HydrophobicContact CD1-CD2 3.56Å; L329-F345 HydrophobicContact CD1-CE2 3.53Å; L329-F345 HydrophobicContact CD1-CG 4.12Å; L329-F345 HydrophobicContact CD1-CZ 4.06Å; L329-F345 HydrophobicContact CG-CD2 4.36Å; L329-L368 HydrophobicContact CD2-CD2 4.28Å; L329-F375 HydrophobicContact CD2-CE1 3.94Å; L329-F375 HydrophobicContact CD2-CZ 3.78Å; L329-F375 HydrophobicContact CG-CE1 3.99Å; L329-F375 HydrophobicContact CG-CZ 4Å; L329-Y524 HydrophobicContact CD1-CD1 3.76Å; L329-Y524 HydrophobicContact CD1-CE1 4.02Å; L329-L531 HydrophobicContact CD1-CD2 3.68Å
330L98.5Very high97.8Very high33 Ų3341.1 Ų41.117%0.17321%0.21CC..Hα-helixtrans-63.7-45.6176.5-71.5167.3000112.4V326 K327 T332 Q333 N334 E374 F375V326-L330 PolarHBondContact O-N 3.34Å; V326-L330 VanDerWaalsContact O-N 3.1Å; K327-L330 PolarHBondContact O-N 2.95Å; L330-T332 PolarHBondContact O-N 2.94Å; L330-Q333 WeakPolarHBondContact O-CB 3.3Å; L330-Q333 PolarHBondContact O-N 3.46Å; L330-N334 PolarHBondContact O-N 3.09Å; L330-N334 VanDerWaalsContact O-N 3.08Å; L330-N334 PolarHBondContact O-ND2 2.98Å; L330-E374 HydrophobicContact CD2-CB 3.69Å; L330-E374 HydrophobicContact CD2-CG 3.92Å; L330-F375 HydrophobicContact CD2-CE1 4.27Å; L330-F375 HydrophobicContact CD2-CE2 3.77Å; L330-F375 HydrophobicContact CD2-CZ 3.45Å; L330-F375 VanDerWaalsContact CD2-CZ 3.45Å; L330-F375 HydrophobicContact CG-CE2 4.45Å; L330-F375 HydrophobicContact CG-CZ 3.99Å
331E98.4Very high98Very high134 Ų13443 Ų4363%0.62623%0.226SC*.Hα-helixtrans-60.7-45.7177.1-73.1171.1-171.200111.5K327 N334 L335K327-E331 WeakPolarHBondContact O-CG 3.43Å; K327-E331 PolarHBondContact O-N 3Å; E331-N334 PolarHBondContact O-N 3.34Å; E331-L335 PolarHBondContact O-N 3.02Å
332T98.5Very high97.9Very high22 Ų2248.9 Ų48.914%0.13526%0.258CS..Hα-helixtrans-68.4-36.2178.9-56.80000111.6A328 L329 L330 N334 L335 L336 L531 A535A328-T332 VanDerWaalsContact O-CB 3.24Å; A328-T332 WeakPolarHBondContact O-CB 3.35Å; A328-T332 PolarHBondContact O-N 2.97Å; A328-T332 PolarHBondContact O-OG1 3.41Å; L329-T332 PolarHBondContact O-N 3.5Å; L330-T332 PolarHBondContact O-N 2.94Å; T332-N334 VanDerWaalsContact C-N 3.3Å; T332-N334 PolarHBondContact O-N 3.48Å; T332-L335 WeakPolarHBondContact O-CB 3.36Å; T332-L335 PolarHBondContact O-N 3.46Å; T332-L336 HydrophobicContact CG2-CD1 4.06Å; T332-L336 HydrophobicContact CG2-CG 4.31Å; T332-L336 WeakPolarHBondContact O-CB 3.41Å; T332-L336 WeakPolarHBondContact O-CG 3.39Å; T332-L336 PolarHBondContact O-N 3.1Å; T332-L531 HydrophobicContact CG2-CB 4.11Å; T332-L531 HydrophobicContact CG2-CD2 3.97Å; T332-A535 HydrophobicContact CG2-CB 4.39Å
333Q98.1Very high97.9Very high0 Ų046.8 Ų46.80%025%0.246CC..Hα-helixtrans-57.6-45.4172.2176.7164.8-99.200110.9L329 L330 L336 R337 F343 F345 E374L329-Q333 WeakPolarHBondContact O-CB 3.34Å; L329-Q333 PolarHBondContact O-N 3.02Å; L330-Q333 WeakPolarHBondContact O-CB 3.3Å; L330-Q333 PolarHBondContact O-N 3.46Å; Q333-L336 PolarHBondContact O-N 2.97Å; Q333-R337 WeakPolarHBondContact O-CG 3.38Å; Q333-R337 PolarHBondContact O-N 2.94Å; Q333-F343 HydrophobicContact CG-CD1 4.22Å; Q333-F345 HydrophobicContact CB-CD2 3.91Å; Q333-F345 HydrophobicContact CB-CE2 3.98Å; Q333-F345 HydrophobicContact CG-CD2 4.3Å; Q333-E374 PolarHBondContact NE2-O 3.16Å
334N97.9Very high97.9Very high81 Ų8145.6 Ų45.643%0.43324%0.239SC..Hα-helixtrans-65.6-39.5177-71.6-33000112.4L330 E331 T332 R337L330-N334 PolarHBondContact O-N 3.09Å; L330-N334 VanDerWaalsContact O-N 3.08Å; L330-N334 PolarHBondContact O-ND2 2.98Å; E331-N334 PolarHBondContact O-N 3.34Å; T332-N334 VanDerWaalsContact C-N 3.3Å; T332-N334 PolarHBondContact O-N 3.48Å; N334-R337 PolarHBondContact O-N 2.95Å; N334-R337 PolarHBondContact OD1-NH1 3.45Å
335L97.8Very high97.9Very high77 Ų7740.9 Ų40.940%0.40321%0.214SC..Hα-helixtrans-59-48.3171.117663.1000111.3E331 T332 R337 T338 A535E331-L335 PolarHBondContact O-N 3.02Å; T332-L335 WeakPolarHBondContact O-CB 3.36Å; T332-L335 PolarHBondContact O-N 3.46Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.08Å; L335-T338 WeakPolarHBondContact O-CB 3.43Å; L335-T338 PolarHBondContact O-N 2.7Å; L335-T338 PolarHBondContact O-OG1 2.83Å; L335-A535 HydrophobicContact CD2-CB 4.49Å
336L98.3Very high97.9Very high1 Ų140.8 Ų40.81%0.00521%0.213CC..Hα-helixtrans-63.3-34.5-180-75.5171.1000112T332 Q333 T338 Q339 V340 F343 F345 F534 A538T332-L336 HydrophobicContact CG2-CD1 4.06Å; T332-L336 HydrophobicContact CG2-CG 4.31Å; T332-L336 WeakPolarHBondContact O-CB 3.41Å; T332-L336 WeakPolarHBondContact O-CG 3.39Å; T332-L336 PolarHBondContact O-N 3.1Å; Q333-L336 PolarHBondContact O-N 2.97Å; L336-T338 PolarHBondContact O-N 3.17Å; L336-T338 VanDerWaalsContact O-N 3.13Å; L336-Q339 CarbonylContact O-C 3.53Å; L336-Q339 PolarHBondContact O-N 2.86Å; L336-V340 PolarHBondContact O-N 3.17Å; L336-F343 HydrophobicContact CB-CB 4.34Å; L336-F343 HydrophobicContact CB-CD1 3.49Å; L336-F343 VanDerWaalsContact CB-CD1 3.49Å; L336-F343 HydrophobicContact CB-CD2 4.39Å; L336-F343 HydrophobicContact CB-CE1 3.85Å; L336-F343 HydrophobicContact CB-CG 3.8Å; L336-F343 HydrophobicContact CB-CZ 4.43Å; L336-F343 HydrophobicContact CD1-CD1 3.98Å; L336-F343 HydrophobicContact CD1-CE1 3.39Å; L336-F343 HydrophobicContact CD1-CE2 4.19Å; L336-F343 HydrophobicContact CD1-CZ 3.51Å; L336-F343 HydrophobicContact CG-CD1 4.38Å; L336-F343 HydrophobicContact CG-CE1 4.26Å; L336-F345 HydrophobicContact CD1-CE2 4.32Å; L336-F345 HydrophobicContact CD1-CZ 3.87Å; L336-F534 HydrophobicContact CD1-CB 4.33Å; L336-A538 HydrophobicContact CD2-CB 3.8Å
337R97.5Very high98Very high84 Ų8440.8 Ų40.832%0.31721%0.213SC..Hα-helixtrans-58-24.5172.7-74168.9178.4165.7-5.9113.2Q333 N334 L335 Q339 F343 E374Q333-R337 WeakPolarHBondContact O-CG 3.38Å; Q333-R337 PolarHBondContact O-N 2.94Å; N334-R337 PolarHBondContact O-N 2.95Å; N334-R337 PolarHBondContact OD1-NH1 3.45Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.08Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; R337-F343 HydrophobicContact CG-CB 4.08Å; R337-F343 WeakPolarHBondContact CG-O 3.28Å; R337-F343 PolarHBondContact NE-O 3.32Å; R337-E374 IonicContact NH1-OE2 3.49Å; R337-E374 PolarHBondContact NH1-OE2 3.12Å; R337-E374 PolarHBondContact NH2-O 3.33Å
338T96.4Very high97.9Very high93 Ų9335.9 Ų35.957%0.57119%0.192SC*.THydrogen-bonded Turntrans-78.6-11.5174.776.80000114.1L335 L336L335-T338 WeakPolarHBondContact O-CB 3.43Å; L335-T338 PolarHBondContact O-N 2.7Å; L335-T338 PolarHBondContact O-OG1 2.83Å; L336-T338 PolarHBondContact O-N 3.17Å; L336-T338 VanDerWaalsContact O-N 3.13Å
339Q95.8Very high97.9Very high29 Ų2935.5 Ų35.514%0.13619%0.188CC..THydrogen-bonded Turntrans-123.2-29.2-172.8-48.6-171.6-0.400112.8L336 R337 A538 N539 K542L336-Q339 CarbonylContact O-C 3.53Å; L336-Q339 PolarHBondContact O-N 2.86Å; R337-Q339 VanDerWaalsContact C-N 3.3Å; Q339-A538 HydrophobicContact CB-CB 4.21Å; Q339-A538 VanDerWaalsContact OE1-CB 3.25Å; Q339-N539 VanDerWaalsContact CD-OD1 3.29Å; Q339-N539 PolarHBondContact NE2-OD1 2.85Å; Q339-N539 PolarHBondContact OE1-OD1 3.4Å; Q339-K542 HydrophobicContact CB-CD 4.5Å
340V98.1Very high97.9Very high4 Ų435.5 Ų35.52%0.02419%0.188CC..SBendtrans-124.8113.7-178.9-175.20000107.1L336 N342 F343 A538 L549L336-V340 PolarHBondContact O-N 3.17Å; V340-N342 PolarHBondContact O-N 2.94Å; V340-F343 HydrophobicContact CB-CB 3.98Å; V340-F343 HydrophobicContact CB-CD2 4.06Å; V340-F343 HydrophobicContact CB-CG 4.35Å; V340-F343 HydrophobicContact CG1-CB 4.14Å; V340-F343 HydrophobicContact CG1-CD2 3.84Å; V340-F343 HydrophobicContact CG1-CG 4.45Å; V340-F343 WeakPolarHBondContact O-CB 3.39Å; V340-F343 PolarHBondContact O-N 3.04Å; V340-A538 HydrophobicContact CG2-CB 4.05Å; V340-L549 HydrophobicContact CB-CB 4.15Å; V340-L549 HydrophobicContact CG1-CB 3.93Å; V340-L549 HydrophobicContact CG2-CB 3.76Å; V340-L549 HydrophobicContact CG2-CD1 3.88Å; V340-L549 HydrophobicContact CG2-CG 4.48Å
341A97.7Very high97.9Very high43 Ų4334 Ų3436%0.35518%0.182SC..BIsolated β-bridgetrans-63.3132.1-175.200000111.1F343 L549 R550 T551A341-F343 VanDerWaalsContact C-N 3.26Å; A341-F343 PolarHBondContact O-N 3.46Å; A341-L549 PolarHBondContact N-O 2.82Å; A341-R550 HydrophobicContact CB-CG 4.26Å; A341-T551 PolarHBondContact O-N 3.49Å
342N96.1Very high97.9Very high123 Ų12332.6 Ų32.666%0.65817%0.173SC*.THydrogen-bonded Turntrans59.330.3179.9-52.4-27.1000114.4V340 T344 T551V340-N342 PolarHBondContact O-N 2.94Å; N342-T344 PolarHBondContact O-N 3.45Å; N342-T551 WeakPolarHBondContact O-CB 3.43Å
343F98.5Very high97.9Very high4 Ų434.3 Ų34.32%0.01818%0.179CC..  trans-63.6130.1-179.3-172.1-92.1000112.3V307 Q333 L336 R337 V340 A341 F345 T551V307-F343 HydrophobicContact CB-CZ 4.44Å; V307-F343 HydrophobicContact CG2-CE2 4.08Å; V307-F343 HydrophobicContact CG2-CZ 4.2Å; Q333-F343 HydrophobicContact CG-CD1 4.22Å; L336-F343 HydrophobicContact CB-CB 4.34Å; L336-F343 HydrophobicContact CB-CD1 3.49Å; L336-F343 VanDerWaalsContact CB-CD1 3.49Å; L336-F343 HydrophobicContact CB-CD2 4.39Å; L336-F343 HydrophobicContact CB-CE1 3.85Å; L336-F343 HydrophobicContact CB-CG 3.8Å; L336-F343 HydrophobicContact CB-CZ 4.43Å; L336-F343 HydrophobicContact CD1-CD1 3.98Å; L336-F343 HydrophobicContact CD1-CE1 3.39Å; L336-F343 HydrophobicContact CD1-CE2 4.19Å; L336-F343 HydrophobicContact CD1-CZ 3.51Å; L336-F343 HydrophobicContact CG-CD1 4.38Å; L336-F343 HydrophobicContact CG-CE1 4.26Å; R337-F343 HydrophobicContact CG-CB 4.08Å; R337-F343 WeakPolarHBondContact CG-O 3.28Å; R337-F343 PolarHBondContact NE-O 3.32Å; V340-F343 HydrophobicContact CB-CB 3.98Å; V340-F343 HydrophobicContact CB-CD2 4.06Å; V340-F343 HydrophobicContact CB-CG 4.35Å; V340-F343 HydrophobicContact CG1-CB 4.14Å; V340-F343 HydrophobicContact CG1-CD2 3.84Å; V340-F343 HydrophobicContact CG1-CG 4.45Å; V340-F343 WeakPolarHBondContact O-CB 3.39Å; V340-F343 PolarHBondContact O-N 3.04Å; A341-F343 VanDerWaalsContact C-N 3.26Å; A341-F343 PolarHBondContact O-N 3.46Å; F343-F345 HydrophobicContact CE1-CD1 4.1Å; F343-F345 AromaticContact CE1-CD2 3.77Å; F343-F345 HydrophobicContact CE1-CD2 3.77Å; F343-F345 AromaticContact CE1-CE1 3.98Å; F343-F345 HydrophobicContact CE1-CE1 3.98Å; F343-F345 AromaticContact CE1-CE2 3.64Å; F343-F345 HydrophobicContact CE1-CE2 3.64Å; F343-F345 AromaticContact CE1-CG 4Å; F343-F345 HydrophobicContact CE1-CG 4Å; F343-F345 AromaticContact CE1-CZ 3.75Å; F343-F345 HydrophobicContact CE1-CZ 3.75Å; F343-F345 AromaticContact CZ-CD1 3.89Å; F343-F345 HydrophobicContact CZ-CD1 3.89Å; F343-F345 HydrophobicContact CZ-CD2 4.4Å; F343-F345 AromaticContact CZ-CE1 3.68Å; F343-F345 HydrophobicContact CZ-CE1 3.68Å; F343-F345 HydrophobicContact CZ-CE2 4.21Å; F343-F345 HydrophobicContact CZ-CG 4.25Å; F343-F345 AromaticContact CZ-CZ 3.84Å; F343-F345 HydrophobicContact CZ-CZ 3.84Å; F343-T551 WeakPolarHBondContact CD2-OG1 3.29Å
344T98.3Very high97.8Very high15 Ų1536.5 Ų36.59%0.09219%0.188CC..  trans-147.1130.8173.5-630000108N342 W376N342-T344 PolarHBondContact O-N 3.45Å; T344-W376 HydrophobicContact CG2-CB 4.35Å; T344-W376 HydrophobicContact CG2-CD2 3.84Å; T344-W376 HydrophobicContact CG2-CE3 4.38Å; T344-W376 HydrophobicContact CG2-CG 3.81Å
345F98.6Very high97.8Very high0 Ų036.5 Ų36.50%019%0.185CC..  trans-69.8143.9170.6-73.5-72.2000110.2V307 I309 L329 Q333 L336 F343 L347 F375 W376 Y524 L531V307-F345 HydrophobicContact CB-CD1 3.98Å; V307-F345 HydrophobicContact CB-CE1 4.13Å; V307-F345 HydrophobicContact CG1-CD1 3.91Å; V307-F345 HydrophobicContact CG1-CE1 3.87Å; I309-F345 HydrophobicContact CD1-CB 4.12Å; I309-F345 HydrophobicContact CD1-CD1 3.84Å; I309-F345 HydrophobicContact CD1-CE1 4.46Å; I309-F345 HydrophobicContact CD1-CG 4.07Å; I309-F345 HydrophobicContact CG1-CD1 4.23Å; L329-F345 HydrophobicContact CD1-CD2 3.56Å; L329-F345 HydrophobicContact CD1-CE2 3.53Å; L329-F345 HydrophobicContact CD1-CG 4.12Å; L329-F345 HydrophobicContact CD1-CZ 4.06Å; L329-F345 HydrophobicContact CG-CD2 4.36Å; Q333-F345 HydrophobicContact CB-CD2 3.91Å; Q333-F345 HydrophobicContact CB-CE2 3.98Å; Q333-F345 HydrophobicContact CG-CD2 4.3Å; L336-F345 HydrophobicContact CD1-CE2 4.32Å; L336-F345 HydrophobicContact CD1-CZ 3.87Å; F343-F345 HydrophobicContact CE1-CD1 4.1Å; F343-F345 AromaticContact CE1-CD2 3.77Å; F343-F345 HydrophobicContact CE1-CD2 3.77Å; F343-F345 AromaticContact CE1-CE1 3.98Å; F343-F345 HydrophobicContact CE1-CE1 3.98Å; F343-F345 AromaticContact CE1-CE2 3.64Å; F343-F345 HydrophobicContact CE1-CE2 3.64Å; F343-F345 AromaticContact CE1-CG 4Å; F343-F345 HydrophobicContact CE1-CG 4Å; F343-F345 AromaticContact CE1-CZ 3.75Å; F343-F345 HydrophobicContact CE1-CZ 3.75Å; F343-F345 AromaticContact CZ-CD1 3.89Å; F343-F345 HydrophobicContact CZ-CD1 3.89Å; F343-F345 HydrophobicContact CZ-CD2 4.4Å; F343-F345 AromaticContact CZ-CE1 3.68Å; F343-F345 HydrophobicContact CZ-CE1 3.68Å; F343-F345 HydrophobicContact CZ-CE2 4.21Å; F343-F345 HydrophobicContact CZ-CG 4.25Å; F343-F345 AromaticContact CZ-CZ 3.84Å; F343-F345 HydrophobicContact CZ-CZ 3.84Å; F345-L347 HydrophobicContact CB-CD1 3.8Å; F345-F375 HydrophobicContact CB-CD1 4.04Å; F345-F375 HydrophobicContact CB-CE1 4.32Å; F345-F375 HydrophobicContact CD2-CE1 4.5Å; F345-W376 PolarHBondContact O-N 2.84Å; F345-W376 VanDerWaalsContact O-N 3.08Å; F345-Y524 AromaticContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CZ-CE1 4.22Å; F345-L531 HydrophobicContact CE2-CD2 4.35Å; F345-L531 HydrophobicContact CZ-CD2 4.1Å
346N98.4Very high97.7Very high1 Ų136.2 Ų36.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-113.8117.5-178.4-168.129.6000109.2L306 V307 D308 I309 W376 F378 Y418L306-N346 HydrophobicContact CD1-CB 4.02Å; V307-N346 PolarHBondContact O-N 2.85Å; V307-N346 VanDerWaalsContact O-N 3.13Å; D308-N346 CarbonylContact C-O 3.18Å; D308-N346 WeakPolarHBondContact CA-O 3.37Å; D308-N346 WeakPolarHBondContact OD1-CB 3.3Å; D308-N346 PolarHBondContact OD1-ND2 2.97Å; I309-N346 PolarHBondContact N-O 2.83Å; N346-W376 CarbonylContact C-O 3.58Å; N346-W376 WeakPolarHBondContact CA-O 3.14Å; N346-W376 HydrophobicContact CB-CB 4.26Å; N346-W376 VanDerWaalsContact OD1-CB 3.22Å; N346-W376 WeakPolarHBondContact OD1-CB 3.23Å; N346-F378 HydrophobicContact CB-CD1 4.45Å; N346-F378 HydrophobicContact CB-CE1 4.28Å; N346-F378 VanDerWaalsContact CG-CD1 3.48Å; N346-F378 WeakPolarHBondContact ND2-CD1 3.41Å; N346-F378 WeakPolarHBondContact O-CE1 3.46Å; N346-F378 WeakPolarHBondContact OD1-CD1 3.26Å; N346-Y418 WeakPolarHBondContact ND2-CD1 3.24Å; N346-Y418 VanDerWaalsContact ND2-CE1 3.26Å; N346-Y418 WeakPolarHBondContact ND2-CE1 3.22Å
347L98.6Very high97.5Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-105.3118.3-165.5-88.862.7000111.1I309 I312 F345 L368 F375 W376 W377 F378I309-L347 HydrophobicContact CD1-CD1 4.07Å; I309-L347 HydrophobicContact CG1-CD1 4.48Å; I312-L347 HydrophobicContact CD1-CB 4.44Å; I312-L347 HydrophobicContact CD1-CD2 4.15Å; I312-L347 HydrophobicContact CD1-CG 3.89Å; I312-L347 HydrophobicContact CG1-CB 3.85Å; I312-L347 HydrophobicContact CG1-CD2 4.3Å; I312-L347 HydrophobicContact CG1-CG 3.87Å; F345-L347 HydrophobicContact CB-CD1 3.8Å; L347-L368 HydrophobicContact CD2-CD2 4.13Å; L347-F375 HydrophobicContact CD1-CB 4.11Å; L347-F375 HydrophobicContact CD1-CD1 3.78Å; L347-F375 HydrophobicContact CD1-CE1 4.43Å; L347-F375 HydrophobicContact CD1-CG 4.01Å; L347-F375 HydrophobicContact CD2-CB 4.25Å; L347-F375 HydrophobicContact CD2-CD1 4.38Å; L347-F375 HydrophobicContact CD2-CD2 4.07Å; L347-F375 HydrophobicContact CD2-CG 3.98Å; L347-W376 PolarHBondContact N-O 3.44Å; L347-W377 HydrophobicContact CB-CD2 4.09Å; L347-W377 HydrophobicContact CB-CE3 3.82Å; L347-W377 HydrophobicContact CB-CH2 4.47Å; L347-W377 HydrophobicContact CB-CZ3 4.03Å; L347-W377 HydrophobicContact CD2-CH2 3.82Å; L347-W377 HydrophobicContact CD2-CZ2 3.97Å; L347-W377 HydrophobicContact CD2-CZ3 4.17Å; L347-W377 CarbonylContact O-C 3.43Å; L347-W377 WeakPolarHBondContact O-CA 3.49Å; L347-F378 PolarHBondContact O-N 3.5Å
348G98.4Very high97.5Very high0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-95.6111.1-18000000112I309 D311 I312 F378I309-G348 PolarHBondContact O-N 3.06Å; D311-G348 PolarHBondContact N-O 3.14Å; I312-G348 WeakPolarHBondContact CB-O 3.33Å; I312-G348 PolarHBondContact N-O 3.03Å; G348-F378 WeakPolarHBondContact CA-O 3.27Å
349F98.6Very high97.5Very high1 Ų136.9 Ų36.90%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-113.2147.5-169.373.3-81.3000114.8I312 F313 W377 F378 H380 N403 F406 A407 I412 W442I312-F349 HydrophobicContact CB-CB 4.04Å; I312-F349 HydrophobicContact CG2-CB 4.26Å; F313-F349 HydrophobicContact CD2-CB 4.25Å; F313-F349 HydrophobicContact CE2-CB 4.24Å; F349-W377 HydrophobicContact CB-CE3 4.37Å; F349-W377 HydrophobicContact CB-CZ3 4.27Å; F349-W377 AromaticContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CG-CE3 4.38Å; F349-F378 WeakPolarHBondContact CD1-O 3.35Å; F349-F378 WeakPolarHBondContact CE1-O 3.32Å; F349-F378 PolarHBondContact N-O 3.02Å; F349-F378 VanDerWaalsContact N-O 3.1Å; F349-H380 WeakPolarHBondContact O-CA 3.4Å; F349-H380 WeakPolarHBondContact O-CB 3.49Å; F349-H380 PolarHBondContact O-N 3.16Å; F349-N403 VanDerWaalsContact CE2-ND2 3.3Å; F349-N403 WeakPolarHBondContact CE2-ND2 3.49Å; F349-N403 PolarHBondContact O-ND2 3.38Å; F349-N403 VanDerWaalsContact O-ND2 3.16Å; F349-F406 HydrophobicContact CD2-CD1 4.17Å; F349-F406 HydrophobicContact CD2-CE1 4.36Å; F349-F406 HydrophobicContact CE2-CD1 4.09Å; F349-A407 HydrophobicContact CE2-CB 4.11Å; F349-A407 HydrophobicContact CZ-CB 3.73Å; F349-I412 HydrophobicContact CD1-CG2 4.43Å; F349-I412 HydrophobicContact CD2-CD1 4.3Å; F349-I412 HydrophobicContact CE1-CG2 3.88Å; F349-I412 HydrophobicContact CE2-CD1 4.34Å; F349-I412 HydrophobicContact CG-CD1 4.42Å; F349-I412 HydrophobicContact CZ-CD1 4.49Å; F349-I412 HydrophobicContact CZ-CG2 4.23Å; F349-W442 AromaticContact CZ-CH2 3.96Å; F349-W442 HydrophobicContact CZ-CH2 3.96Å
350S98.5Very high97.6Very high0 Ų042 Ų420%022%0.217CC..  trans-125.796.4169.2-63.60000109.7I312 K352 F353 H380 M381 W382I312-S350 PolarHBondContact O-N 3.41Å; I312-S350 VanDerWaalsContact O-N 3.16Å; S350-K352 PolarHBondContact O-N 2.97Å; S350-F353 PolarHBondContact O-N 3.49Å; S350-H380 PolarHBondContact OG-O 3.31Å; S350-M381 WeakPolarHBondContact CA-O 3.43Å; S350-M381 WeakPolarHBondContact CB-O 3.44Å; S350-M381 PolarHBondContact OG-O 2.95Å; S350-W382 WeakPolarHBondContact CB-O 3.37Å
351G98Very high97.6Very high3 Ų342.2 Ų42.23%0.03122%0.218CC..G310 helixtrans-61.8-18.9-168.700000115.5F353 Y354 N403G351-F353 PolarHBondContact O-N 3.14Å; G351-F353 VanDerWaalsContact O-N 3.11Å; G351-Y354 WeakPolarHBondContact O-CB 3.4Å; G351-Y354 PolarHBondContact O-N 3.31Å; G351-N403 PolarHBondContact N-OD1 3.41Å
352K97.9Very high97.6Very high104 Ų10441.7 Ų41.745%0.45221%0.21SC..G310 helixtrans-57.8-29.1178.6-174.8177.9-177.4178.60113.3S350 W382 S383S350-K352 PolarHBondContact O-N 2.97Å; K352-W382 HydrophobicContact CB-CD2 3.74Å; K352-W382 HydrophobicContact CB-CE3 4.18Å; K352-W382 HydrophobicContact CB-CG 4.18Å; K352-W382 HydrophobicContact CB-CH2 4.27Å; K352-W382 HydrophobicContact CB-CZ2 3.83Å; K352-W382 HydrophobicContact CB-CZ3 4.44Å; K352-W382 WeakPolarHBondContact CB-O 3.36Å; K352-W382 HydrophobicContact CG-CZ2 4.16Å; K352-W382 VanDerWaalsContact N-CE3 3.29Å; K352-S383 VanDerWaalsContact CD-OG 3.24Å; K352-S383 WeakPolarHBondContact CD-OG 3.43Å; K352-S383 PolarHBondContact NZ-OG 3.4Å; K352-S383 VanDerWaalsContact NZ-OG 3.09Å
353F97.7Very high97.7Very high58 Ų5840.2 Ų40.225%0.25420%0.197SC..G310 helixtrans-102.614.7-172.9-56.3-84.8000112.7F313 V314 R320 S350 G351 T356 H384F313-F353 HydrophobicContact CB-CB 4.29Å; F313-F353 WeakPolarHBondContact O-CB 3.46Å; V314-F353 HydrophobicContact CG2-CD2 3.73Å; V314-F353 HydrophobicContact CG2-CE2 4.19Å; V314-F353 HydrophobicContact CG2-CG 4.38Å; R320-F353 PolarHBondContact NH2-O 2.78Å; S350-F353 PolarHBondContact O-N 3.49Å; G351-F353 PolarHBondContact O-N 3.14Å; G351-F353 VanDerWaalsContact O-N 3.11Å; F353-T356 HydrophobicContact CB-CG2 4.46Å; F353-T356 PolarHBondContact O-OG1 2.77Å; F353-T356 VanDerWaalsContact O-OG1 3.08Å; F353-H384 HydrophobicContact CE2-CB 3.79Å; F353-H384 HydrophobicContact CZ-CB 4.46Å
354Y97.8Very high97.7Very high46 Ų4640 Ų4018%0.1820%0.196CC..THydrogen-bonded Turntrans-62.3133.7169-175.9-109.7000110F313 G351 T356 D365 D366 L369 F406F313-Y354 AromaticContact CD1-CD2 3.91Å; F313-Y354 HydrophobicContact CD1-CD2 3.91Å; F313-Y354 HydrophobicContact CD2-CD2 4.49Å; F313-Y354 AromaticContact CE1-CD2 3.71Å; F313-Y354 HydrophobicContact CE1-CD2 3.71Å; F313-Y354 HydrophobicContact CE1-CE2 4.11Å; F313-Y354 HydrophobicContact CE2-CD2 4.31Å; F313-Y354 HydrophobicContact CG-CD2 4.31Å; F313-Y354 AromaticContact CZ-CD2 3.93Å; F313-Y354 HydrophobicContact CZ-CD2 3.93Å; F313-Y354 HydrophobicContact CZ-CE2 4.31Å; G351-Y354 WeakPolarHBondContact O-CB 3.4Å; G351-Y354 PolarHBondContact O-N 3.31Å; Y354-T356 PolarHBondContact O-N 2.77Å; Y354-D365 HydrophobicContact CD2-CB 4.03Å; Y354-D365 HydrophobicContact CE2-CB 3.74Å; Y354-D366 PolarHBondContact OH-OD1 2.95Å; Y354-L369 HydrophobicContact CD2-CD1 4Å; Y354-L369 HydrophobicContact CE2-CD1 3.27Å; Y354-L369 HydrophobicContact CE2-CG 4.14Å; Y354-F406 HydrophobicContact CD1-CE2 4.16Å; Y354-F406 HydrophobicContact CD1-CZ 4.45Å; Y354-F406 HydrophobicContact CD2-CE2 4.5Å; Y354-F406 AromaticContact CD2-CZ 4Å; Y354-F406 HydrophobicContact CD2-CZ 4Å; Y354-F406 AromaticContact CG-CE2 3.89Å; Y354-F406 HydrophobicContact CG-CE2 3.89Å; Y354-F406 AromaticContact CG-CZ 3.83Å; Y354-F406 HydrophobicContact CG-CZ 3.83Å
355H97.3Very high97.7Very high81 Ų8139.3 Ų39.338%0.37519%0.192SC..THydrogen-bonded Turntrans56.447.1-178.5-67.6-177.2000114.2D362 D365 D366H355-D362 VanDerWaalsContact CA-OD1 3.26Å; H355-D362 WeakPolarHBondContact CA-OD1 3.44Å; H355-D362 PolarHBondContact NE2-O 2.92Å; H355-D365 PolarHBondContact N-OD2 2.82Å; H355-D366 IonicContact CE1-OD1 2.79Å; H355-D366 PolarHBondContact CE1-OD1 3.13Å; H355-D366 IonicContact NE2-OD1 3.59Å; H355-D366 PolarHBondContact NE2-OD1 3.2Å
356T95.8Very high97.7Very high70 Ų7041.3 Ų41.343%0.42920%0.202SC..  trans-115.817.3173.471.70000113R320 F353 Y354 D362R320-T356 PolarHBondContact NH1-OG1 3.3Å; F353-T356 HydrophobicContact CB-CG2 4.46Å; F353-T356 PolarHBondContact O-OG1 2.77Å; F353-T356 VanDerWaalsContact O-OG1 3.08Å; Y354-T356 PolarHBondContact O-N 2.77Å; T356-D362 PolarHBondContact N-OD1 3.07Å
357G94.4Very high97.7Very high18 Ų1842.9 Ų42.919%0.18621%0.211CC..SBendtrans-102.7-159.1178.500000113.2E361 D362G357-E361 VanDerWaalsContact CA-OE2 3.27Å; G357-E361 WeakPolarHBondContact CA-OE2 3.38Å; G357-D362 WeakPolarHBondContact CA-OD1 3.39Å; G357-D362 PolarHBondContact N-OD1 3.38Å
358T96.8Very high97.7Very high33 Ų3342.9 Ų42.920%0.20221%0.211CC..  trans-73.1167.116472.60000111.3E317 E360 E361 D362E317-T358 HydrophobicContact CG-CG2 3.34Å; E317-T358 WeakPolarHBondContact OE1-CG2 3.39Å; T358-E360 PolarHBondContact O-N 2.87Å; T358-E360 VanDerWaalsContact O-N 3.09Å; T358-E360 PolarHBondContact OG1-N 3.29Å; T358-E361 PolarHBondContact N-OE2 3.13Å; T358-E361 PolarHBondContact O-N 3.32Å; T358-E361 VanDerWaalsContact O-N 3.08Å; T358-E361 WeakPolarHBondContact OG1-CG 3.47Å; T358-E361 PolarHBondContact OG1-N 2.74Å; T358-D362 WeakPolarHBondContact O-CB 3.42Å; T358-D362 VanDerWaalsContact O-CG 3.29Å; T358-D362 PolarHBondContact O-N 3.04Å
359E97.4Very high97.7Very high141 Ų14143.9 Ų43.966%0.65922%0.216SC*.Hα-helixtrans-55.1-30.7173.4-163.9-166.3147.400112.9K363E359-K363 WeakPolarHBondContact O-CD 3.41Å; E359-K363 WeakPolarHBondContact O-CG 3.3Å; E359-K363 PolarHBondContact O-N 3.36Å; E359-K363 WeakPolarHBondContact OE1-CE 3.49Å; E359-K363 IonicContact OE1-NZ 3.38Å; E359-K363 PolarHBondContact OE1-NZ 3.06Å
360E97.3Very high97.7Very high136 Ų13653.2 Ų53.264%0.63625%0.251SS*.Hα-helixtrans-79.5-35.8179.5-65.6149.7167.800112.3T358 G364T358-E360 PolarHBondContact O-N 2.87Å; T358-E360 VanDerWaalsContact O-N 3.09Å; T358-E360 PolarHBondContact OG1-N 3.29Å; E360-G364 PolarHBondContact O-N 3.34Å
361E97.8Very high97.6Very high10 Ų1054 Ų545%0.04726%0.257CS..Hα-helixtrans-71.1-42174.3-67.9176.7143.100111G318 T319 R320 G357 T358 K363 G364 D365G318-E361 VanDerWaalsContact CA-OE1 3.27Å; G318-E361 WeakPolarHBondContact CA-OE1 3.36Å; G318-E361 PolarHBondContact N-OE1 2.72Å; G318-E361 PolarHBondContact N-OE2 3.15Å; T319-E361 PolarHBondContact N-OE1 3.29Å; R320-E361 HydrophobicContact CB-CB 4.02Å; R320-E361 HydrophobicContact CB-CG 3.85Å; R320-E361 WeakPolarHBondContact CB-OE1 3.34Å; R320-E361 WeakPolarHBondContact CD-OE2 3.38Å; R320-E361 PolarHBondContact N-OE1 3.03Å; G357-E361 VanDerWaalsContact CA-OE2 3.27Å; G357-E361 WeakPolarHBondContact CA-OE2 3.38Å; T358-E361 PolarHBondContact N-OE2 3.13Å; T358-E361 PolarHBondContact O-N 3.32Å; T358-E361 VanDerWaalsContact O-N 3.08Å; T358-E361 WeakPolarHBondContact OG1-CG 3.47Å; T358-E361 PolarHBondContact OG1-N 2.74Å; E361-K363 VanDerWaalsContact C-N 3.3Å; E361-K363 PolarHBondContact O-N 2.91Å; E361-G364 CarbonylContact O-C 3.6Å; E361-G364 WeakPolarHBondContact O-CA 3.26Å; E361-G364 PolarHBondContact O-N 3.1Å; E361-D365 PolarHBondContact O-N 3.13Å
362D98.3Very high97.6Very high32 Ų3254.3 Ų54.317%0.17126%0.258CS..Hα-helixtrans-64.8-35177.6-69.5-7.5000111.6H355 T356 G357 T358 G364 D365 D366H355-D362 VanDerWaalsContact CA-OD1 3.26Å; H355-D362 WeakPolarHBondContact CA-OD1 3.44Å; H355-D362 PolarHBondContact NE2-O 2.92Å; T356-D362 PolarHBondContact N-OD1 3.07Å; G357-D362 WeakPolarHBondContact CA-OD1 3.39Å; G357-D362 PolarHBondContact N-OD1 3.38Å; T358-D362 WeakPolarHBondContact O-CB 3.42Å; T358-D362 VanDerWaalsContact O-CG 3.29Å; T358-D362 PolarHBondContact O-N 3.04Å; D362-G364 PolarHBondContact O-N 3.23Å; D362-D365 WeakPolarHBondContact O-CB 3.17Å; D362-D365 PolarHBondContact O-N 2.86Å; D362-D366 PolarHBondContact O-N 3.26Å
363K98.4Very high97.6Very high92 Ų9256.8 Ų56.840%0.428%0.276SS..Hα-helixtrans-65-28.3168.1-74.5168.8-171.6162.50112.6V323 E359 E361 L367V323-K363 HydrophobicContact CG2-CB 3.67Å; E359-K363 WeakPolarHBondContact O-CD 3.41Å; E359-K363 WeakPolarHBondContact O-CG 3.3Å; E359-K363 PolarHBondContact O-N 3.36Å; E359-K363 WeakPolarHBondContact OE1-CE 3.49Å; E359-K363 IonicContact OE1-NZ 3.38Å; E359-K363 PolarHBondContact OE1-NZ 3.06Å; E361-K363 VanDerWaalsContact C-N 3.3Å; E361-K363 PolarHBondContact O-N 2.91Å; K363-L367 PolarHBondContact O-N 2.65Å; K363-L367 VanDerWaalsContact O-N 3.17Å
364G98.2Very high97.5Very high0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-67.6-46.9170.300000111.5E360 E361 D362 D366 L367 L368E360-G364 PolarHBondContact O-N 3.34Å; E361-G364 CarbonylContact O-C 3.6Å; E361-G364 WeakPolarHBondContact O-CA 3.26Å; E361-G364 PolarHBondContact O-N 3.1Å; D362-G364 PolarHBondContact O-N 3.23Å; G364-D366 VanDerWaalsContact C-N 3.33Å; G364-D366 PolarHBondContact O-N 2.92Å; G364-L367 PolarHBondContact O-N 3.14Å; G364-L367 VanDerWaalsContact O-N 3.08Å; G364-L368 PolarHBondContact O-N 3.38Å
365D98.2Very high97.6Very high0 Ų056.2 Ų56.20%028%0.276CS..Hα-helixtrans-56.5-46.2174-70.6-10.5000111.3F313 R320 Y354 H355 E361 D362 L367 L368 L369F313-D365 HydrophobicContact CD1-CB 3.98Å; F313-D365 VanDerWaalsContact CD1-CG 3.46Å; F313-D365 WeakPolarHBondContact CD1-OD1 3.43Å; F313-D365 HydrophobicContact CE1-CB 3.76Å; R320-D365 IonicContact CZ-OD2 3.82Å; R320-D365 IonicContact NE-OD2 3.22Å; R320-D365 IonicContact NH2-OD1 2.64Å; R320-D365 IonicContact NH2-OD2 2.65Å; R320-D365 PolarHBondContact NH2-OD2 2.92Å; Y354-D365 HydrophobicContact CD2-CB 4.03Å; Y354-D365 HydrophobicContact CE2-CB 3.74Å; H355-D365 PolarHBondContact N-OD2 2.82Å; E361-D365 PolarHBondContact O-N 3.13Å; D362-D365 WeakPolarHBondContact O-CB 3.17Å; D362-D365 PolarHBondContact O-N 2.86Å; D365-L367 VanDerWaalsContact C-N 3.29Å; D365-L367 PolarHBondContact O-N 3.45Å; D365-L368 WeakPolarHBondContact O-CB 3.39Å; D365-L368 PolarHBondContact O-N 3.12Å; D365-L369 PolarHBondContact O-N 2.77Å; D365-L369 VanDerWaalsContact O-N 3.14Å
366D98.5Very high97.6Very high41 Ų4154.6 Ų54.622%0.21927%0.266CS..Hα-helixtrans-56.9-42.3174.3-77.1-16.6000112Y354 H355 D362 G364 L369 R370Y354-D366 PolarHBondContact OH-OD1 2.95Å; H355-D366 IonicContact CE1-OD1 2.79Å; H355-D366 PolarHBondContact CE1-OD1 3.13Å; H355-D366 IonicContact NE2-OD1 3.59Å; H355-D366 PolarHBondContact NE2-OD1 3.2Å; D362-D366 PolarHBondContact O-N 3.26Å; G364-D366 VanDerWaalsContact C-N 3.33Å; G364-D366 PolarHBondContact O-N 2.92Å; D366-L369 PolarHBondContact O-N 3.37Å; D366-R370 VanDerWaalsContact O-CG 3.3Å; D366-R370 WeakPolarHBondContact O-CG 3.36Å; D366-R370 PolarHBondContact O-N 2.67Å
367L98.5Very high97.7Very high35 Ų3551.3 Ų51.318%0.18325%0.246CC..Hα-helixtrans-70.7-35.3-178.4-177.758.8000112.1V323 V326 K327 K363 G364 D365 L369 R370 S371V323-L367 HydrophobicContact CG1-CD2 3.93Å; V326-L367 HydrophobicContact CB-CD2 4.01Å; V326-L367 HydrophobicContact CB-CG 4.31Å; V326-L367 HydrophobicContact CG1-CB 4.25Å; V326-L367 HydrophobicContact CG1-CD2 3.94Å; V326-L367 HydrophobicContact CG1-CG 3.78Å; K327-L367 HydrophobicContact CG-CD2 4.11Å; K363-L367 PolarHBondContact O-N 2.65Å; K363-L367 VanDerWaalsContact O-N 3.17Å; G364-L367 PolarHBondContact O-N 3.14Å; G364-L367 VanDerWaalsContact O-N 3.08Å; D365-L367 VanDerWaalsContact C-N 3.29Å; D365-L367 PolarHBondContact O-N 3.45Å; L367-L369 VanDerWaalsContact C-N 3.33Å; L367-R370 PolarHBondContact O-N 3.36Å; L367-S371 WeakPolarHBondContact O-CB 3.46Å; L367-S371 PolarHBondContact O-N 3.04Å; L367-S371 PolarHBondContact O-OG 2.9Å
368L98.2Very high97.9Very high0 Ų050.5 Ų50.50%024%0.238CC..Hα-helixtrans-59.1-47171.6-75.5167.8000110.6I312 F313 M321 V326 L329 L347 G364 D365 R370 S371 V372 F375I312-L368 HydrophobicContact CG2-CD1 4.39Å; F313-L368 HydrophobicContact CE1-CD1 4.49Å; M321-L368 HydrophobicContact CE-CD1 3.8Å; M321-L368 HydrophobicContact CE-CD2 4.38Å; V326-L368 HydrophobicContact CB-CD2 4.49Å; V326-L368 HydrophobicContact CG1-CD2 3.76Å; V326-L368 HydrophobicContact CG1-CG 4Å; V326-L368 HydrophobicContact CG2-CD1 4.27Å; V326-L368 HydrophobicContact CG2-CD2 4Å; V326-L368 HydrophobicContact CG2-CG 3.72Å; L329-L368 HydrophobicContact CD2-CD2 4.28Å; L347-L368 HydrophobicContact CD2-CD2 4.13Å; G364-L368 PolarHBondContact O-N 3.38Å; D365-L368 WeakPolarHBondContact O-CB 3.39Å; D365-L368 PolarHBondContact O-N 3.12Å; L368-R370 PolarHBondContact O-N 3.08Å; L368-S371 CarbonylContact O-C 3.51Å; L368-S371 WeakPolarHBondContact O-CA 3.41Å; L368-S371 PolarHBondContact O-N 3.3Å; L368-V372 PolarHBondContact O-N 3.38Å; L368-F375 HydrophobicContact CD2-CE2 4.34Å
369L98.1Very high98Very high21 Ų2149.4 Ų49.411%0.1123%0.231CC..Hα-helixtrans-69.9-30.8179.8-66.9-174.1000113.4F313 Y354 D365 D366 L367 S371 V372 W377 F406 H410 I412F313-L369 HydrophobicContact CE2-CD2 4.36Å; F313-L369 HydrophobicContact CZ-CD1 4.26Å; F313-L369 HydrophobicContact CZ-CD2 3.77Å; F313-L369 HydrophobicContact CZ-CG 3.93Å; Y354-L369 HydrophobicContact CD2-CD1 4Å; Y354-L369 HydrophobicContact CE2-CD1 3.27Å; Y354-L369 HydrophobicContact CE2-CG 4.14Å; D365-L369 PolarHBondContact O-N 2.77Å; D365-L369 VanDerWaalsContact O-N 3.14Å; D366-L369 PolarHBondContact O-N 3.37Å; L367-L369 VanDerWaalsContact C-N 3.33Å; L369-S371 PolarHBondContact O-N 3Å; L369-V372 HydrophobicContact CD2-CG2 4.24Å; L369-V372 WeakPolarHBondContact O-CG2 3.29Å; L369-W377 HydrophobicContact CD2-CH2 4.3Å; L369-F406 HydrophobicContact CD1-CZ 4.36Å; L369-H410 HydrophobicContact CD1-CB 3.99Å; L369-H410 VanDerWaalsContact CD1-CD2 3.4Å; L369-H410 WeakPolarHBondContact CD1-CD2 3.38Å; L369-H410 HydrophobicContact CD2-CB 4.24Å; L369-I412 HydrophobicContact CD2-CD1 3.8Å; L369-I412 HydrophobicContact CD2-CG1 4.11Å
370R97.9Very high98Very high196 Ų19642.8 Ų42.874%0.7420%0.2SC*.Hα-helixtrans-68.8-15.7169.5-71.5174.8-165.3170.39.8113.4D366 L367 L368D366-R370 VanDerWaalsContact O-CG 3.3Å; D366-R370 WeakPolarHBondContact O-CG 3.36Å; D366-R370 PolarHBondContact O-N 2.67Å; L367-R370 PolarHBondContact O-N 3.36Å; L368-R370 PolarHBondContact O-N 3.08Å
371S97.9Very high98Very high17 Ų1736.7 Ų36.712%0.11917%0.172CC..THydrogen-bonded Turntrans-11323.9-176.9-46.70000112.3L367 L368 L369 D373 E374 F375L367-S371 WeakPolarHBondContact O-CB 3.46Å; L367-S371 PolarHBondContact O-N 3.04Å; L367-S371 PolarHBondContact O-OG 2.9Å; L368-S371 CarbonylContact O-C 3.51Å; L368-S371 WeakPolarHBondContact O-CA 3.41Å; L368-S371 PolarHBondContact O-N 3.3Å; L369-S371 PolarHBondContact O-N 3Å; S371-D373 VanDerWaalsContact C-N 3.27Å; S371-D373 PolarHBondContact O-N 3.15Å; S371-E374 WeakPolarHBondContact O-CB 3.27Å; S371-E374 PolarHBondContact O-N 3.02Å; S371-F375 WeakPolarHBondContact O-CD2 3.44Å
372V97.4Very high98Very high10 Ų1038.8 Ų38.86%0.06118%0.179CC..G310 helixtrans-53.1-42.2-174.7160.80000113.1L368 L369 E374 F375 W377 G411 I412L368-V372 PolarHBondContact O-N 3.38Å; L369-V372 HydrophobicContact CD2-CG2 4.24Å; L369-V372 WeakPolarHBondContact O-CG2 3.29Å; V372-E374 PolarHBondContact O-N 2.78Å; V372-F375 PolarHBondContact O-N 3.19Å; V372-W377 HydrophobicContact CG2-CZ2 3.92Å; V372-W377 PolarHBondContact O-NE1 3Å; V372-G411 WeakPolarHBondContact CG1-O 3.29Å; V372-I412 HydrophobicContact CG2-CG1 4.07Å
373D96.9Very high97.9Very high156 Ų15638 Ų3883%0.83418%0.176SC*.G310 helixtrans-68.6-12.6-177-63.4-39000113.9S371S371-D373 VanDerWaalsContact C-N 3.27Å; S371-D373 PolarHBondContact O-N 3.15Å
374E97.4Very high97.8Very high83 Ų8335.2 Ų35.239%0.38817%0.165SC..G310 helixtrans-84.1-13.3178.3-68.1-64.8155.500113.3L330 Q333 R337 S371 V372L330-E374 HydrophobicContact CD2-CB 3.69Å; L330-E374 HydrophobicContact CD2-CG 3.92Å; Q333-E374 PolarHBondContact NE2-O 3.16Å; R337-E374 IonicContact NH1-OE2 3.49Å; R337-E374 PolarHBondContact NH1-OE2 3.12Å; R337-E374 PolarHBondContact NH2-O 3.33Å; S371-E374 WeakPolarHBondContact O-CB 3.27Å; S371-E374 PolarHBondContact O-N 3.02Å; V372-E374 PolarHBondContact O-N 2.78Å
375F98.1Very high97.7Very high8 Ų839 Ų394%0.03518%0.183CC..SBendtrans-124.8161-172.4-60.2-69000112.5L329 L330 F345 L347 L368 S371 V372L329-F375 HydrophobicContact CD2-CE1 3.94Å; L329-F375 HydrophobicContact CD2-CZ 3.78Å; L329-F375 HydrophobicContact CG-CE1 3.99Å; L329-F375 HydrophobicContact CG-CZ 4Å; L330-F375 HydrophobicContact CD2-CE1 4.27Å; L330-F375 HydrophobicContact CD2-CE2 3.77Å; L330-F375 HydrophobicContact CD2-CZ 3.45Å; L330-F375 VanDerWaalsContact CD2-CZ 3.45Å; L330-F375 HydrophobicContact CG-CE2 4.45Å; L330-F375 HydrophobicContact CG-CZ 3.99Å; F345-F375 HydrophobicContact CB-CD1 4.04Å; F345-F375 HydrophobicContact CB-CE1 4.32Å; F345-F375 HydrophobicContact CD2-CE1 4.5Å; L347-F375 HydrophobicContact CD1-CB 4.11Å; L347-F375 HydrophobicContact CD1-CD1 3.78Å; L347-F375 HydrophobicContact CD1-CE1 4.43Å; L347-F375 HydrophobicContact CD1-CG 4.01Å; L347-F375 HydrophobicContact CD2-CB 4.25Å; L347-F375 HydrophobicContact CD2-CD1 4.38Å; L347-F375 HydrophobicContact CD2-CD2 4.07Å; L347-F375 HydrophobicContact CD2-CG 3.98Å; L368-F375 HydrophobicContact CD2-CE2 4.34Å; S371-F375 WeakPolarHBondContact O-CD2 3.44Å; V372-F375 PolarHBondContact O-N 3.19Å
376W98.4Very high97.6Very high47 Ų4741.2 Ų41.218%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-90.9154.2159.6-65.8-21.6000109.8L306 T344 F345 N346 L347 M416 T551 L552 P553L306-W376 HydrophobicContact CD1-CE3 4.12Å; L306-W376 HydrophobicContact CD1-CZ3 3.98Å; T344-W376 HydrophobicContact CG2-CB 4.35Å; T344-W376 HydrophobicContact CG2-CD2 3.84Å; T344-W376 HydrophobicContact CG2-CE3 4.38Å; T344-W376 HydrophobicContact CG2-CG 3.81Å; F345-W376 PolarHBondContact O-N 2.84Å; F345-W376 VanDerWaalsContact O-N 3.08Å; N346-W376 CarbonylContact C-O 3.58Å; N346-W376 WeakPolarHBondContact CA-O 3.14Å; N346-W376 HydrophobicContact CB-CB 4.26Å; N346-W376 VanDerWaalsContact OD1-CB 3.22Å; N346-W376 WeakPolarHBondContact OD1-CB 3.23Å; L347-W376 PolarHBondContact N-O 3.44Å; W376-M416 HydrophobicContact CB-CE 3.8Å; W376-M416 HydrophobicContact CD2-CE 4.34Å; W376-M416 HydrophobicContact CG-CE 3.61Å; W376-T551 HydrophobicContact CH2-CG2 3.87Å; W376-T551 HydrophobicContact CZ3-CG2 3.69Å; W376-L552 WeakPolarHBondContact CZ3-O 3.44Å; W376-P553 VanDerWaalsContact CH2-CA 3.49Å; W376-P553 HydrophobicContact CH2-CB 4.17Å; W376-P553 HydrophobicContact CH2-CG 3.84Å; W376-P553 VanDerWaalsContact CH2-N 3.29Å; W376-P553 HydrophobicContact CZ2-CB 4.21Å; W376-P553 HydrophobicContact CZ2-CG 3.72Å
377W98.6Very high97.5Very high2 Ų239.2 Ų39.21%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-133.3145.5-174.9-64.984.9000110.9I312 L347 F349 L369 V372 I412I312-W377 HydrophobicContact CG2-CZ3 4.12Å; L347-W377 HydrophobicContact CB-CD2 4.09Å; L347-W377 HydrophobicContact CB-CE3 3.82Å; L347-W377 HydrophobicContact CB-CH2 4.47Å; L347-W377 HydrophobicContact CB-CZ3 4.03Å; L347-W377 HydrophobicContact CD2-CH2 3.82Å; L347-W377 HydrophobicContact CD2-CZ2 3.97Å; L347-W377 HydrophobicContact CD2-CZ3 4.17Å; L347-W377 CarbonylContact O-C 3.43Å; L347-W377 WeakPolarHBondContact O-CA 3.49Å; F349-W377 HydrophobicContact CB-CE3 4.37Å; F349-W377 HydrophobicContact CB-CZ3 4.27Å; F349-W377 AromaticContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CD1-CE3 3.92Å; F349-W377 HydrophobicContact CG-CE3 4.38Å; L369-W377 HydrophobicContact CD2-CH2 4.3Å; V372-W377 HydrophobicContact CG2-CZ2 3.92Å; V372-W377 PolarHBondContact O-NE1 3Å; W377-I412 HydrophobicContact CB-CG2 3.58Å; W377-I412 HydrophobicContact CD2-CG1 4.46Å; W377-I412 HydrophobicContact CD2-CG2 3.87Å; W377-I412 HydrophobicContact CE3-CD1 4.13Å; W377-I412 HydrophobicContact CE3-CG1 4.44Å; W377-I412 HydrophobicContact CE3-CG2 4.09Å; W377-I412 HydrophobicContact CG-CG2 3.66Å; W377-I412 HydrophobicContact CZ3-CD1 4.12Å
378F98.6Very high97.3Very high1 Ų138.1 Ų38.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-141.7148.5170.262.3-89.8000111.7D308 D310 N346 L347 G348 F349 Y418 V420D308-F378 HydrophobicContact CB-CE1 4.12Å; D308-F378 HydrophobicContact CB-CZ 4.13Å; D310-F378 VanDerWaalsContact OD1-CZ 3.23Å; D310-F378 WeakPolarHBondContact OD1-CZ 3.31Å; N346-F378 HydrophobicContact CB-CD1 4.45Å; N346-F378 HydrophobicContact CB-CE1 4.28Å; N346-F378 VanDerWaalsContact CG-CD1 3.48Å; N346-F378 WeakPolarHBondContact ND2-CD1 3.41Å; N346-F378 WeakPolarHBondContact O-CE1 3.46Å; N346-F378 WeakPolarHBondContact OD1-CD1 3.26Å; L347-F378 PolarHBondContact O-N 3.5Å; G348-F378 WeakPolarHBondContact CA-O 3.27Å; F349-F378 WeakPolarHBondContact CD1-O 3.35Å; F349-F378 WeakPolarHBondContact CE1-O 3.32Å; F349-F378 PolarHBondContact N-O 3.02Å; F349-F378 VanDerWaalsContact N-O 3.1Å; F378-Y418 HydrophobicContact CB-CD1 3.78Å; F378-Y418 HydrophobicContact CB-CE1 4.46Å; F378-Y418 VanDerWaalsContact CB-O 3.27Å; F378-Y418 WeakPolarHBondContact CB-O 3.39Å; F378-Y418 AromaticContact CD1-CD1 3.92Å; F378-Y418 HydrophobicContact CD1-CD1 3.92Å; F378-Y418 AromaticContact CD1-CE1 3.92Å; F378-Y418 HydrophobicContact CD1-CE1 3.92Å; F378-Y418 HydrophobicContact CE1-CE1 4.22Å; F378-Y418 AromaticContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CE1 4.06Å; F378-V420 HydrophobicContact CD2-CB 4.08Å; F378-V420 HydrophobicContact CD2-CG2 3.96Å; F378-V420 HydrophobicContact CE2-CB 3.69Å; F378-V420 HydrophobicContact CE2-CG2 3.63Å; F378-V420 HydrophobicContact CZ-CG2 4.14Å
379P98.3Very high97.1Very high10 Ų1041.4 Ų41.47%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-72.1137.8177.230.8-35.6000111.1Y418 A419 W442 I444P379-Y418 WeakPolarHBondContact CD-O 3.11Å; P379-A419 HydrophobicContact CG-CB 3.83Å; P379-W442 HydrophobicContact CB-CD2 3.98Å; P379-W442 HydrophobicContact CB-CE3 4.25Å; P379-W442 HydrophobicContact CB-CH2 3.86Å; P379-W442 HydrophobicContact CB-CZ2 3.57Å; P379-W442 HydrophobicContact CB-CZ3 4.19Å; P379-W442 HydrophobicContact CG-CD2 3.7Å; P379-W442 HydrophobicContact CG-CE3 3.93Å; P379-W442 HydrophobicContact CG-CG 4.06Å; P379-W442 HydrophobicContact CG-CH2 4.43Å; P379-W442 HydrophobicContact CG-CZ2 4.24Å; P379-W442 HydrophobicContact CG-CZ3 4.28Å; P379-I444 HydrophobicContact CG-CD1 4.47Å
380H97.8Very high96.8Very high2 Ų241.4 Ų41.41%0.00919%0.193CC..  trans-122.434.9176.2-154.349.9000112.7D310 D311 F349 S350 H384 V420 P422D310-H380 IonicContact OD2-CE1 3.15Å; D311-H380 IonicContact OD1-CD2 3.72Å; D311-H380 PolarHBondContact OD1-CD2 3.34Å; D311-H380 IonicContact OD1-NE2 3.92Å; D311-H380 PolarHBondContact OD1-NE2 3.41Å; F349-H380 WeakPolarHBondContact O-CA 3.4Å; F349-H380 WeakPolarHBondContact O-CB 3.49Å; F349-H380 PolarHBondContact O-N 3.16Å; S350-H380 PolarHBondContact OG-O 3.31Å; H380-H384 AromaticContact CD2-CD2 3.42Å; H380-H384 PolarHBondContact CD2-CD2 3.02Å; H380-H384 VanDerWaalsContact CD2-CD2 3.42Å; H380-H384 AromaticContact CD2-NE2 3.63Å; H380-H384 AromaticContact NE2-CD2 3.73Å; H380-H384 AromaticContact NE2-NE2 3.44Å; H380-H384 PolarHBondContact NE2-NE2 3.01Å; H380-V420 PolarHBondContact ND1-O 3.18Å; H380-P422 VanDerWaalsContact O-CG 3.31Å; H380-P422 WeakPolarHBondContact O-CG 3.36Å
381M97.1Very high96.1Very high7 Ų737.1 Ų37.13%0.03418%0.181CC..  trans65148.1-172.8-56.9-69.2-70.700114S350 F390 L396 Q399 M400 P422S350-M381 WeakPolarHBondContact CA-O 3.43Å; S350-M381 WeakPolarHBondContact CB-O 3.44Å; S350-M381 PolarHBondContact OG-O 2.95Å; M381-F390 HydrophobicContact CE-CE2 4.43Å; M381-L396 HydrophobicContact CE-CD2 3.67Å; M381-Q399 HydrophobicContact CE-CB 4.1Å; M381-M400 HydrophobicContact CE-CE 4.31Å; M381-M400 HydrophobicContact CE-CG 4.4Å; M381-M400 HydrophobicContact SD-CE 3.67Å; M381-M400 HydrophobicContact SD-CG 3.92Å; M381-P422 HydrophobicContact CB-CG 4.02Å; M381-P422 VanDerWaalsContact CG-CD 3.48Å; M381-P422 HydrophobicContact CG-CG 3.9Å
382W97.6Very high95.4Very high55 Ų5540 Ų4021%0.20820%0.195CC..THydrogen-bonded Turntrans-59.3-58.2-179.1172.9-117.4000113.6S350 K352 Q399 L402 N403 F406S350-W382 WeakPolarHBondContact CB-O 3.37Å; K352-W382 HydrophobicContact CB-CD2 3.74Å; K352-W382 HydrophobicContact CB-CE3 4.18Å; K352-W382 HydrophobicContact CB-CG 4.18Å; K352-W382 HydrophobicContact CB-CH2 4.27Å; K352-W382 HydrophobicContact CB-CZ2 3.83Å; K352-W382 HydrophobicContact CB-CZ3 4.44Å; K352-W382 WeakPolarHBondContact CB-O 3.36Å; K352-W382 HydrophobicContact CG-CZ2 4.16Å; K352-W382 VanDerWaalsContact N-CE3 3.29Å; W382-Q399 HydrophobicContact CB-CB 4.47Å; W382-Q399 WeakPolarHBondContact CB-O 3.37Å; W382-L402 HydrophobicContact CB-CB 4.17Å; W382-L402 HydrophobicContact CD2-CB 3.8Å; W382-L402 HydrophobicContact CE3-CB 4.22Å; W382-L402 HydrophobicContact CG-CB 3.78Å; W382-L402 HydrophobicContact CG-CD1 4.22Å; W382-N403 HydrophobicContact CB-CB 3.98Å; W382-N403 HydrophobicContact CE3-CB 4.31Å; W382-F406 HydrophobicContact CZ3-CB 3.81Å; W382-F406 HydrophobicContact CZ3-CD2 4.2Å; W382-F406 HydrophobicContact CZ3-CG 4.13Å
383S95.9Very high95.2Very high15 Ų1542.6 Ų42.611%0.10521%0.207CC..THydrogen-bonded Turntrans-92.715-176.3-58.50000114.1K352 M385 Q399K352-S383 VanDerWaalsContact CD-OG 3.24Å; K352-S383 WeakPolarHBondContact CD-OG 3.43Å; K352-S383 PolarHBondContact NZ-OG 3.4Å; K352-S383 VanDerWaalsContact NZ-OG 3.09Å; S383-M385 PolarHBondContact O-N 3.28Å; S383-Q399 PolarHBondContact OG-OE1 3.17Å
384H96.6Very high95.1Very high34 Ų3438.8 Ų38.816%0.15719%0.192CC..  trans51.929.4-172.5-168.2-106.1000113.3D311 V314 F353 H380D311-H384 IonicContact OD1-CD2 3Å; D311-H384 PolarHBondContact OD1-CD2 2.87Å; D311-H384 IonicContact OD1-CE1 2.68Å; D311-H384 IonicContact OD1-NE2 2.73Å; D311-H384 PolarHBondContact OD1-NE2 3.31Å; V314-H384 HydrophobicContact CG1-CB 4.41Å; V314-H384 HydrophobicContact CG2-CB 4.09Å; F353-H384 HydrophobicContact CE2-CB 3.79Å; F353-H384 HydrophobicContact CZ-CB 4.46Å; H380-H384 AromaticContact CD2-CD2 3.42Å; H380-H384 PolarHBondContact CD2-CD2 3.02Å; H380-H384 VanDerWaalsContact CD2-CD2 3.42Å; H380-H384 AromaticContact CD2-NE2 3.63Å; H380-H384 AromaticContact NE2-CD2 3.73Å; H380-H384 AromaticContact NE2-NE2 3.44Å; H380-H384 PolarHBondContact NE2-NE2 3.01Å
385M95.9Very high94.9Very high78 Ų7836.5 Ų36.538%0.38419%0.186SC..  trans-86.3139.1-178.4-75.1-174.768.500111.3S383 F390S383-M385 PolarHBondContact O-N 3.28Å; M385-F390 HydrophobicContact CB-CE2 3.68Å; M385-F390 HydrophobicContact CB-CZ 3.7Å; M385-F390 HydrophobicContact CE-CE2 4.4Å; M385-F390 HydrophobicContact CE-CZ 3.99Å; M385-F390 HydrophobicContact CG-CZ 4.46Å; M385-F390 HydrophobicContact SD-CZ 4Å
386Q96.5Very high94.8Very high47 Ų4736.1 Ų36.122%0.2218%0.184CC..  trans-68.2127-179.7-65.9174.546.300110.7H388 L389 P422 H423Q386-H388 VanDerWaalsContact C-N 3.28Å; Q386-H388 PolarHBondContact O-N 3.19Å; Q386-H388 VanDerWaalsContact O-N 3.16Å; Q386-H388 PolarHBondContact OE1-CE1 3.33Å; Q386-L389 HydrophobicContact CB-CD1 4.12Å; Q386-L389 HydrophobicContact CB-CG 4.25Å; Q386-L389 WeakPolarHBondContact O-CB 3.49Å; Q386-L389 PolarHBondContact O-N 3.29Å; Q386-L389 VanDerWaalsContact O-N 3.13Å; Q386-P422 HydrophobicContact CG-CB 4.49Å; Q386-H423 VanDerWaalsContact CD-CD2 3.43Å; Q386-H423 HydrophobicContact CG-CB 4.14Å; Q386-H423 VanDerWaalsContact CG-CD2 3.43Å; Q386-H423 WeakPolarHBondContact CG-CD2 3.48Å; Q386-H423 PolarHBondContact NE2-CD2 2.7Å; Q386-H423 PolarHBondContact NE2-NE2 3.3Å
387P95.8Very high94.8Very high0 Ų034.5 Ų34.50%018%0.179CC..G310 helixtrans-56.9-32.3-174.7-33.638.2000116.2L389 F390 L396 A421 S425 L434P387-L389 PolarHBondContact O-N 3.43Å; P387-L389 VanDerWaalsContact O-N 3.14Å; P387-F390 PolarHBondContact O-N 3.38Å; P387-F390 VanDerWaalsContact O-N 3.1Å; P387-L396 HydrophobicContact CB-CD2 4.18Å; P387-A421 HydrophobicContact CG-CB 3.72Å; P387-S425 WeakPolarHBondContact CD-O 3.24Å; P387-S425 WeakPolarHBondContact CD-OG 3.36Å; P387-S425 WeakPolarHBondContact CG-O 3.38Å; P387-L434 HydrophobicContact CB-CB 4.3Å; P387-L434 HydrophobicContact CB-CD1 3.9Å; P387-L434 HydrophobicContact CB-CD2 3.98Å; P387-L434 HydrophobicContact CB-CG 4.28Å; P387-L434 HydrophobicContact CG-CD1 3.72Å; P387-L434 HydrophobicContact CG-CD2 3.94Å; P387-L434 HydrophobicContact CG-CG 4.38Å
388H94.3Very high94.7Very high12 Ų1239.9 Ų39.96%0.05620%0.204CC..G310 helixtrans-68-12.7-178.276.1-88.5000113.9Q386 F390 S425 I585 W586Q386-H388 VanDerWaalsContact C-N 3.28Å; Q386-H388 PolarHBondContact O-N 3.19Å; Q386-H388 VanDerWaalsContact O-N 3.16Å; Q386-H388 PolarHBondContact OE1-CE1 3.33Å; H388-F390 VanDerWaalsContact C-N 3.29Å; H388-S425 PolarHBondContact N-OG 2.91Å; H388-S425 WeakPolarHBondContact ND1-CB 3.48Å; H388-S425 PolarHBondContact ND1-OG 3.26Å; H388-I585 WeakPolarHBondContact CB-O 3.47Å; H388-W586 PolarHBondContact CD2-O 2.87Å; H388-W586 VanDerWaalsContact CD2-O 3.3Å
389L94.2Very high94.6Very high69 Ų6941.5 Ų41.536%0.36121%0.212SC..G310 helixtrans-80.4-10.5175.5-60.9177.3000112.8Q386 P387Q386-L389 HydrophobicContact CB-CD1 4.12Å; Q386-L389 HydrophobicContact CB-CG 4.25Å; Q386-L389 WeakPolarHBondContact O-CB 3.49Å; Q386-L389 PolarHBondContact O-N 3.29Å; Q386-L389 VanDerWaalsContact O-N 3.13Å; P387-L389 PolarHBondContact O-N 3.43Å; P387-L389 VanDerWaalsContact O-N 3.14Å
390F91.6Very high94.5Very high21 Ų2141.1 Ų41.19%0.09221%0.209CC..  trans-94.4130.6176.6-61.8-93.2000109.6M381 M385 P387 H388 L396 Q399 H431M381-F390 HydrophobicContact CE-CE2 4.43Å; M385-F390 HydrophobicContact CB-CE2 3.68Å; M385-F390 HydrophobicContact CB-CZ 3.7Å; M385-F390 HydrophobicContact CE-CE2 4.4Å; M385-F390 HydrophobicContact CE-CZ 3.99Å; M385-F390 HydrophobicContact CG-CZ 4.46Å; M385-F390 HydrophobicContact SD-CZ 4Å; P387-F390 PolarHBondContact O-N 3.38Å; P387-F390 VanDerWaalsContact O-N 3.1Å; H388-F390 VanDerWaalsContact C-N 3.29Å; F390-L396 HydrophobicContact CB-CD1 4.18Å; F390-L396 HydrophobicContact CB-CD2 3.84Å; F390-L396 HydrophobicContact CB-CG 3.63Å; F390-L396 HydrophobicContact CD1-CD2 4.32Å; F390-L396 HydrophobicContact CD1-CG 4.44Å; F390-L396 HydrophobicContact CD2-CD2 3.38Å; F390-L396 HydrophobicContact CD2-CG 4.16Å; F390-L396 HydrophobicContact CE2-CD2 3.95Å; F390-L396 HydrophobicContact CG-CD2 3.59Å; F390-L396 HydrophobicContact CG-CG 3.83Å; F390-Q399 HydrophobicContact CE1-CG 3.88Å; F390-Q399 HydrophobicContact CZ-CG 3.95Å; F390-H431 PolarHBondContact O-NE2 3.07Å
391H82.4Confident94.6Very high106 Ų10644.2 Ų44.249%0.49123%0.226SC..  trans-93.5-18.4-177.3-62-79.5000113D589H391-D589 IonicContact CE1-OD1 3.72Å; H391-D589 IonicContact CE1-OD2 2.74Å; H391-D589 PolarHBondContact CE1-OD2 3.24Å; H391-D589 IonicContact CG-OD2 3.73Å; H391-D589 IonicContact ND1-OD1 3.46Å; H391-D589 IonicContact ND1-OD2 3.83Å; H391-D589 PolarHBondContact ND1-OD2 2.78Å
392N84.9Confident94.6Very high76 Ų7647 Ų4741%0.40624%0.24SC..SBendtrans-126.6151.4-178.766.337.5000110.8S394 S395N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S395 PolarHBondContact ND2-OG 3.14Å; N392-S395 WeakPolarHBondContact OD1-CA 3.45Å; N392-S395 WeakPolarHBondContact OD1-CB 3.4Å; N392-S395 PolarHBondContact OD1-N 3.43Å; N392-S395 PolarHBondContact OD1-OG 3.39Å
393E92.3Very high94.7Very high65 Ų6544.4 Ų44.430%0.30423%0.23SC..Hα-helixtrans-65.6-37.1176.2-174.6-163.913300111.2S395 L396 V397 Q433 A437 K440E393-S395 PolarHBondContact O-N 3.49Å; E393-L396 WeakPolarHBondContact O-CB 3.34Å; E393-L396 PolarHBondContact O-N 3.2Å; E393-L396 VanDerWaalsContact O-N 3.15Å; E393-V397 HydrophobicContact CG-CG2 4.13Å; E393-V397 WeakPolarHBondContact O-CG2 3.22Å; E393-V397 PolarHBondContact O-N 3.22Å; E393-Q433 HydrophobicContact CB-CB 4.3Å; E393-Q433 HydrophobicContact CB-CG 4.33Å; E393-A437 HydrophobicContact CG-CB 4.46Å; E393-K440 IonicContact OE1-NZ 3.62Å; E393-K440 PolarHBondContact OE1-NZ 3.25Å
394S94.9Very high94.8Very high76 Ų7646.6 Ų46.653%0.53124%0.238SC..Hα-helixtrans-57.8-44.6-175.6-54.20000113.2N392 V397 E398N392-S394 VanDerWaalsContact C-N 3.32Å; S394-V397 WeakPolarHBondContact O-CB 3.24Å; S394-V397 PolarHBondContact O-N 3.29Å; S394-E398 WeakPolarHBondContact O-CG 3.39Å; S394-E398 PolarHBondContact O-N 3.2Å
395S93.9Very high94.9Very high36 Ų3650.2 Ų50.225%0.25226%0.255SS..Hα-helixtrans-69.7-32.9178.7-630000112.5N392 E393 Q399N392-S395 PolarHBondContact ND2-OG 3.14Å; N392-S395 WeakPolarHBondContact OD1-CA 3.45Å; N392-S395 WeakPolarHBondContact OD1-CB 3.4Å; N392-S395 PolarHBondContact OD1-N 3.43Å; N392-S395 PolarHBondContact OD1-OG 3.39Å; E393-S395 PolarHBondContact O-N 3.49Å; S395-Q399 WeakPolarHBondContact O-CG 3.31Å; S395-Q399 PolarHBondContact O-N 2.93Å; S395-Q399 VanDerWaalsContact O-N 3.12Å
396L95.1Very high95Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-63.5-45.8170.4-77.1169.2000110.6M381 P387 F390 E393 E398 Q399 M400 Q433 A437M381-L396 HydrophobicContact CE-CD2 3.67Å; P387-L396 HydrophobicContact CB-CD2 4.18Å; F390-L396 HydrophobicContact CB-CD1 4.18Å; F390-L396 HydrophobicContact CB-CD2 3.84Å; F390-L396 HydrophobicContact CB-CG 3.63Å; F390-L396 HydrophobicContact CD1-CD2 4.32Å; F390-L396 HydrophobicContact CD1-CG 4.44Å; F390-L396 HydrophobicContact CD2-CD2 3.38Å; F390-L396 HydrophobicContact CD2-CG 4.16Å; F390-L396 HydrophobicContact CE2-CD2 3.95Å; F390-L396 HydrophobicContact CG-CD2 3.59Å; F390-L396 HydrophobicContact CG-CG 3.83Å; E393-L396 WeakPolarHBondContact O-CB 3.34Å; E393-L396 PolarHBondContact O-N 3.2Å; E393-L396 VanDerWaalsContact O-N 3.15Å; L396-E398 PolarHBondContact O-N 3.27Å; L396-Q399 PolarHBondContact O-N 3.36Å; L396-M400 WeakPolarHBondContact O-CB 3.49Å; L396-M400 VanDerWaalsContact O-CG 3.3Å; L396-M400 WeakPolarHBondContact O-CG 3.3Å; L396-M400 PolarHBondContact O-N 3.06Å; L396-Q433 HydrophobicContact CD1-CB 3.85Å; L396-A437 HydrophobicContact CB-CB 4.06Å
397V97.8Very high95.1Very high13 Ų1344.9 Ų44.98%0.07923%0.229CC..Hα-helixtrans-59.9-45.7177.8167.40000111E393 S394 Q399 M400 I401 A437 K440 V441E393-V397 HydrophobicContact CG-CG2 4.13Å; E393-V397 WeakPolarHBondContact O-CG2 3.22Å; E393-V397 PolarHBondContact O-N 3.22Å; S394-V397 WeakPolarHBondContact O-CB 3.24Å; S394-V397 PolarHBondContact O-N 3.29Å; V397-Q399 PolarHBondContact O-N 2.81Å; V397-M400 PolarHBondContact O-N 3.37Å; V397-M400 VanDerWaalsContact O-N 3.15Å; V397-I401 HydrophobicContact CG1-CD1 3.65Å; V397-I401 HydrophobicContact CG1-CG1 4.27Å; V397-I401 VanDerWaalsContact O-CG1 3.29Å; V397-I401 WeakPolarHBondContact O-CG1 3.41Å; V397-I401 PolarHBondContact O-N 3.36Å; V397-A437 HydrophobicContact CG2-CB 3.78Å; V397-K440 HydrophobicContact CG2-CD 4.13Å; V397-V441 HydrophobicContact CB-CG2 4.29Å; V397-V441 HydrophobicContact CG1-CG2 3.84Å; V397-V441 HydrophobicContact CG2-CG2 4.18Å
398E96.7Very high95.3Very high114 Ų11450.1 Ų50.153%0.53326%0.256SS..Hα-helixtrans-58.1-48176.1-74.3166.8-16900112S394 L396 M400 I401 L402S394-E398 WeakPolarHBondContact O-CG 3.39Å; S394-E398 PolarHBondContact O-N 3.2Å; L396-E398 PolarHBondContact O-N 3.27Å; E398-M400 VanDerWaalsContact C-N 3.28Å; E398-M400 PolarHBondContact O-N 3.05Å; E398-I401 PolarHBondContact O-N 3.2Å; E398-L402 WeakPolarHBondContact O-CG 3.39Å; E398-L402 PolarHBondContact O-N 2.95Å; E398-L402 VanDerWaalsContact O-N 3.12Å
399Q96.6Very high95.4Very high35 Ų3556.8 Ų56.816%0.16429%0.288CS..Hα-helixtrans-62.2-36.5175.9-69.1-60.9-69.100112.2M381 W382 S383 F390 S395 L396 V397 N403M381-Q399 HydrophobicContact CE-CB 4.1Å; W382-Q399 HydrophobicContact CB-CB 4.47Å; W382-Q399 WeakPolarHBondContact CB-O 3.37Å; S383-Q399 PolarHBondContact OG-OE1 3.17Å; F390-Q399 HydrophobicContact CE1-CG 3.88Å; F390-Q399 HydrophobicContact CZ-CG 3.95Å; S395-Q399 WeakPolarHBondContact O-CG 3.31Å; S395-Q399 PolarHBondContact O-N 2.93Å; S395-Q399 VanDerWaalsContact O-N 3.12Å; L396-Q399 PolarHBondContact O-N 3.36Å; V397-Q399 PolarHBondContact O-N 2.81Å; Q399-N403 PolarHBondContact O-N 3.34Å
400M97.8Very high95.6Very high2 Ų256 Ų561%0.0128%0.282CS..Hα-helixtrans-71.7-36.7178-73.9-177.5-167.400112.4M381 L396 V397 E398 N403 K404 L434 A437 W438 V441 W442M381-M400 HydrophobicContact CE-CE 4.31Å; M381-M400 HydrophobicContact CE-CG 4.4Å; M381-M400 HydrophobicContact SD-CE 3.67Å; M381-M400 HydrophobicContact SD-CG 3.92Å; L396-M400 WeakPolarHBondContact O-CB 3.49Å; L396-M400 VanDerWaalsContact O-CG 3.3Å; L396-M400 WeakPolarHBondContact O-CG 3.3Å; L396-M400 PolarHBondContact O-N 3.06Å; V397-M400 PolarHBondContact O-N 3.37Å; V397-M400 VanDerWaalsContact O-N 3.15Å; E398-M400 VanDerWaalsContact C-N 3.28Å; E398-M400 PolarHBondContact O-N 3.05Å; M400-N403 PolarHBondContact O-N 2.9Å; M400-K404 WeakPolarHBondContact O-CB 3.38Å; M400-K404 PolarHBondContact O-N 2.79Å; M400-L434 HydrophobicContact CE-CD1 3.66Å; M400-A437 HydrophobicContact CE-CB 3.77Å; M400-A437 HydrophobicContact SD-CB 3.72Å; M400-W438 HydrophobicContact CE-CG 4.16Å; M400-V441 HydrophobicContact CB-CB 4.01Å; M400-V441 HydrophobicContact CB-CG1 3.78Å; M400-V441 HydrophobicContact CB-CG2 4.04Å; M400-V441 HydrophobicContact SD-CB 4.45Å; M400-W442 PolarHBondContact O-NE1 2.88Å
401I98.4Very high95.9Very high68 Ų6857.5 Ų57.535%0.34930%0.303SS..Hα-helixtrans-62.9-47.6176.6-72.6167.7000110.1V397 E398 N403 K404 E405 V441V397-I401 HydrophobicContact CG1-CD1 3.65Å; V397-I401 HydrophobicContact CG1-CG1 4.27Å; V397-I401 VanDerWaalsContact O-CG1 3.29Å; V397-I401 WeakPolarHBondContact O-CG1 3.41Å; V397-I401 PolarHBondContact O-N 3.36Å; E398-I401 PolarHBondContact O-N 3.2Å; I401-N403 VanDerWaalsContact C-N 3.28Å; I401-N403 PolarHBondContact O-N 3.39Å; I401-K404 CarbonylContact O-C 3.56Å; I401-K404 WeakPolarHBondContact O-CA 3.41Å; I401-K404 WeakPolarHBondContact O-CB 3.4Å; I401-K404 PolarHBondContact O-N 2.92Å; I401-E405 HydrophobicContact CG2-CG 4.23Å; I401-E405 WeakPolarHBondContact O-CG 3.41Å; I401-E405 PolarHBondContact O-N 3.38Å; I401-V441 HydrophobicContact CG1-CG1 4.12Å; I401-V441 HydrophobicContact CG1-CG2 4.32Å
402L98.4Very high96.7Very high65 Ų6552.7 Ų52.734%0.3428%0.281SS..Hα-helixtrans-56-43.9177.3-68.3171.9000112W382 E398 K404 E405 F406W382-L402 HydrophobicContact CB-CB 4.17Å; W382-L402 HydrophobicContact CD2-CB 3.8Å; W382-L402 HydrophobicContact CE3-CB 4.22Å; W382-L402 HydrophobicContact CG-CB 3.78Å; W382-L402 HydrophobicContact CG-CD1 4.22Å; E398-L402 WeakPolarHBondContact O-CG 3.39Å; E398-L402 PolarHBondContact O-N 2.95Å; E398-L402 VanDerWaalsContact O-N 3.12Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.41Å; L402-E405 PolarHBondContact O-N 2.92Å; L402-F406 PolarHBondContact O-N 3.28Å; L402-F406 VanDerWaalsContact O-N 3.1Å
403N98.5Very high97.3Very high0 Ų051.1 Ų51.10%028%0.275CS..Hα-helixtrans-68.2-30177.4-151.354.2000112.5F349 G351 W382 Q399 M400 I401 A407 W442F349-N403 VanDerWaalsContact CE2-ND2 3.3Å; F349-N403 WeakPolarHBondContact CE2-ND2 3.49Å; F349-N403 PolarHBondContact O-ND2 3.38Å; F349-N403 VanDerWaalsContact O-ND2 3.16Å; G351-N403 PolarHBondContact N-OD1 3.41Å; W382-N403 HydrophobicContact CB-CB 3.98Å; W382-N403 HydrophobicContact CE3-CB 4.31Å; Q399-N403 PolarHBondContact O-N 3.34Å; M400-N403 PolarHBondContact O-N 2.9Å; I401-N403 VanDerWaalsContact C-N 3.28Å; I401-N403 PolarHBondContact O-N 3.39Å; N403-A407 PolarHBondContact O-N 2.91Å; N403-A407 VanDerWaalsContact O-N 3.17Å; N403-W442 HydrophobicContact CB-CZ2 4.11Å
404K98.6Very high97.4Very high61 Ų6149.6 Ų49.627%0.26527%0.27SS..Hα-helixtrans-74.8-39.4176.9-167.2173.4-176.71790112M400 I401 L402 A407 L408 T414 V441 W442M400-K404 WeakPolarHBondContact O-CB 3.38Å; M400-K404 PolarHBondContact O-N 2.79Å; I401-K404 CarbonylContact O-C 3.56Å; I401-K404 WeakPolarHBondContact O-CA 3.41Å; I401-K404 WeakPolarHBondContact O-CB 3.4Å; I401-K404 PolarHBondContact O-N 2.92Å; L402-K404 VanDerWaalsContact C-N 3.28Å; L402-K404 PolarHBondContact O-N 3.41Å; K404-A407 WeakPolarHBondContact O-CB 3.22Å; K404-A407 PolarHBondContact O-N 3.22Å; K404-L408 WeakPolarHBondContact O-CG 3.45Å; K404-L408 PolarHBondContact O-N 3.41Å; K404-T414 HydrophobicContact CG-CG2 4.21Å; K404-V441 HydrophobicContact CB-CG1 4.48Å; K404-V441 HydrophobicContact CD-CG1 4.04Å; K404-V441 WeakPolarHBondContact CD-O 3.48Å; K404-V441 PolarHBondContact NZ-O 3.06Å; K404-W442 VanDerWaalsContact CA-CZ2 3.46Å; K404-W442 HydrophobicContact CB-CH2 3.64Å; K404-W442 HydrophobicContact CB-CZ2 3.48Å; K404-W442 VanDerWaalsContact CB-CZ2 3.48Å; K404-W442 HydrophobicContact CB-CZ3 4.26Å; K404-W442 HydrophobicContact CD-CD2 4.45Å; K404-W442 HydrophobicContact CD-CE3 4.4Å; K404-W442 HydrophobicContact CG-CE3 4.33Å; K404-W442 HydrophobicContact CG-CH2 3.86Å; K404-W442 HydrophobicContact CG-CZ2 4.1Å; K404-W442 HydrophobicContact CG-CZ3 3.98Å
405E98.6Very high97.4Very high110 Ų11052 Ų5251%0.51428%0.277SS..Hα-helixtrans-60.9-46.5173.8-72.8174168.500110.8I401 L402 A407 L408 E409I401-E405 HydrophobicContact CG2-CG 4.23Å; I401-E405 WeakPolarHBondContact O-CG 3.41Å; I401-E405 PolarHBondContact O-N 3.38Å; L402-E405 PolarHBondContact O-N 2.92Å; E405-A407 VanDerWaalsContact C-N 3.29Å; E405-A407 PolarHBondContact O-N 3.15Å; E405-L408 PolarHBondContact O-N 3.37Å; E405-E409 WeakPolarHBondContact O-CB 3.39Å; E405-E409 PolarHBondContact O-N 2.9Å
406F98.6Very high97.5Very high14 Ų1452.6 Ų52.66%0.06128%0.276CS..Hα-helixtrans-55.8-44172.8177.8-89.1000112.3F313 F349 Y354 L369 W382 L402 E409 H410 I412F313-F406 HydrophobicContact CD2-CE1 4.39Å; F313-F406 HydrophobicContact CD2-CZ 4.43Å; F313-F406 AromaticContact CE2-CE1 3.86Å; F313-F406 HydrophobicContact CE2-CE1 3.86Å; F313-F406 HydrophobicContact CE2-CZ 4.03Å; F349-F406 HydrophobicContact CD2-CD1 4.17Å; F349-F406 HydrophobicContact CD2-CE1 4.36Å; F349-F406 HydrophobicContact CE2-CD1 4.09Å; Y354-F406 HydrophobicContact CD1-CE2 4.16Å; Y354-F406 HydrophobicContact CD1-CZ 4.45Å; Y354-F406 HydrophobicContact CD2-CE2 4.5Å; Y354-F406 AromaticContact CD2-CZ 4Å; Y354-F406 HydrophobicContact CD2-CZ 4Å; Y354-F406 AromaticContact CG-CE2 3.89Å; Y354-F406 HydrophobicContact CG-CE2 3.89Å; Y354-F406 AromaticContact CG-CZ 3.83Å; Y354-F406 HydrophobicContact CG-CZ 3.83Å; L369-F406 HydrophobicContact CD1-CZ 4.36Å; W382-F406 HydrophobicContact CZ3-CB 3.81Å; W382-F406 HydrophobicContact CZ3-CD2 4.2Å; W382-F406 HydrophobicContact CZ3-CG 4.13Å; L402-F406 PolarHBondContact O-N 3.28Å; L402-F406 VanDerWaalsContact O-N 3.1Å; F406-E409 PolarHBondContact O-N 2.87Å; F406-H410 AromaticContact CD2-CE1 3.63Å; F406-H410 AromaticContact CD2-ND1 3.66Å; F406-H410 AromaticContact CE2-CE1 3.38Å; F406-H410 WeakPolarHBondContact CE2-CE1 3.49Å; F406-H410 AromaticContact CE2-ND1 3.57Å; F406-H410 AromaticContact CG-ND1 3.98Å; F406-H410 AromaticContact CZ-CE1 3.96Å; F406-H410 AromaticContact CZ-ND1 3.8Å; F406-H410 PolarHBondContact O-N 3.23Å; F406-H410 VanDerWaalsContact O-N 3.14Å; F406-H410 PolarHBondContact O-ND1 3.38Å; F406-I412 HydrophobicContact CD1-CD1 4.46Å; F406-I412 HydrophobicContact CE1-CD1 4.12Å
407A98.6Very high97.6Very high0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-61.2-45.117800000112.1F349 N403 K404 E405 H410 G411 I412 T414 W442F349-A407 HydrophobicContact CE2-CB 4.11Å; F349-A407 HydrophobicContact CZ-CB 3.73Å; N403-A407 PolarHBondContact O-N 2.91Å; N403-A407 VanDerWaalsContact O-N 3.17Å; K404-A407 WeakPolarHBondContact O-CB 3.22Å; K404-A407 PolarHBondContact O-N 3.22Å; E405-A407 VanDerWaalsContact C-N 3.29Å; E405-A407 PolarHBondContact O-N 3.15Å; A407-H410 CarbonylContact O-C 3.56Å; A407-H410 PolarHBondContact O-N 2.89Å; A407-G411 PolarHBondContact O-N 2.86Å; A407-I412 HydrophobicContact CB-CB 3.91Å; A407-I412 HydrophobicContact CB-CG2 4.27Å; A407-I412 PolarHBondContact O-N 3.25Å; A407-T414 HydrophobicContact CB-CG2 3.79Å; A407-W442 HydrophobicContact CB-CH2 4.19Å
408L98.4Very high97.6Very high110 Ų11052.1 Ų52.158%0.57627%0.274SS*.Hα-helixtrans-64.4-41.2178.2-69.1169.4000112.2K404 E405 H410 G411 T414K404-L408 WeakPolarHBondContact O-CG 3.45Å; K404-L408 PolarHBondContact O-N 3.41Å; E405-L408 PolarHBondContact O-N 3.37Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 3.36Å; L408-G411 PolarHBondContact O-N 3.04Å; L408-T414 HydrophobicContact CD2-CG2 4.08Å; L408-T414 HydrophobicContact CG-CG2 4.28Å
409E98.2Very high97.7Very high152 Ų15246.7 Ų46.771%0.7125%0.249SC*.Hα-helixtrans-61.7-36.9177.9-177.4177.3-166.900112.2E405 F406E405-E409 WeakPolarHBondContact O-CB 3.39Å; E405-E409 PolarHBondContact O-N 2.9Å; F406-E409 PolarHBondContact O-N 2.87Å
410H98.1Very high97.8Very high52 Ų5245.1 Ų45.124%0.24124%0.242CC..THydrogen-bonded Turntrans-102.110.8-175.9-61.384.6000113.8L369 F406 A407 L408 I412L369-H410 HydrophobicContact CD1-CB 3.99Å; L369-H410 VanDerWaalsContact CD1-CD2 3.4Å; L369-H410 WeakPolarHBondContact CD1-CD2 3.38Å; L369-H410 HydrophobicContact CD2-CB 4.24Å; F406-H410 AromaticContact CD2-CE1 3.63Å; F406-H410 AromaticContact CD2-ND1 3.66Å; F406-H410 AromaticContact CE2-CE1 3.38Å; F406-H410 WeakPolarHBondContact CE2-CE1 3.49Å; F406-H410 AromaticContact CE2-ND1 3.57Å; F406-H410 AromaticContact CG-ND1 3.98Å; F406-H410 AromaticContact CZ-CE1 3.96Å; F406-H410 AromaticContact CZ-ND1 3.8Å; F406-H410 PolarHBondContact O-N 3.23Å; F406-H410 VanDerWaalsContact O-N 3.14Å; F406-H410 PolarHBondContact O-ND1 3.38Å; A407-H410 CarbonylContact O-C 3.56Å; A407-H410 PolarHBondContact O-N 2.89Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 3.36Å; H410-I412 VanDerWaalsContact C-N 3.26Å; H410-I412 PolarHBondContact O-N 3.29Å
411G97.8Very high97.7Very high53 Ų5345 Ų4555%0.54624%0.241SC..THydrogen-bonded Turntrans70.813.1176.600000115.6V372 A407 L408V372-G411 WeakPolarHBondContact CG1-O 3.29Å; A407-G411 PolarHBondContact O-N 2.86Å; L408-G411 PolarHBondContact O-N 3.04Å
412I98.4Very high97.7Very high4 Ų441.8 Ų41.82%0.02122%0.224CC..  trans-68.3129.9176.8-62.2172.5000109.6F349 L369 V372 W377 F406 A407 H410 T414F349-I412 HydrophobicContact CD1-CG2 4.43Å; F349-I412 HydrophobicContact CD2-CD1 4.3Å; F349-I412 HydrophobicContact CE1-CG2 3.88Å; F349-I412 HydrophobicContact CE2-CD1 4.34Å; F349-I412 HydrophobicContact CG-CD1 4.42Å; F349-I412 HydrophobicContact CZ-CD1 4.49Å; F349-I412 HydrophobicContact CZ-CG2 4.23Å; L369-I412 HydrophobicContact CD2-CD1 3.8Å; L369-I412 HydrophobicContact CD2-CG1 4.11Å; V372-I412 HydrophobicContact CG2-CG1 4.07Å; W377-I412 HydrophobicContact CB-CG2 3.58Å; W377-I412 HydrophobicContact CD2-CG1 4.46Å; W377-I412 HydrophobicContact CD2-CG2 3.87Å; W377-I412 HydrophobicContact CE3-CD1 4.13Å; W377-I412 HydrophobicContact CE3-CG1 4.44Å; W377-I412 HydrophobicContact CE3-CG2 4.09Å; W377-I412 HydrophobicContact CG-CG2 3.66Å; W377-I412 HydrophobicContact CZ3-CD1 4.12Å; F406-I412 HydrophobicContact CD1-CD1 4.46Å; F406-I412 HydrophobicContact CE1-CD1 4.12Å; A407-I412 HydrophobicContact CB-CB 3.91Å; A407-I412 HydrophobicContact CB-CG2 4.27Å; A407-I412 PolarHBondContact O-N 3.25Å; H410-I412 VanDerWaalsContact C-N 3.26Å; H410-I412 PolarHBondContact O-N 3.29Å; I412-T414 WeakPolarHBondContact O-CG2 3.16Å; I412-T414 PolarHBondContact O-N 3.25Å
413P96.9Very high97.4Very high43 Ų4342.7 Ų42.728%0.27923%0.227SC..  trans-57134.1177.4-26.334.3000113M416P413-M416 HydrophobicContact CB-CG 4.06Å; P413-M416 HydrophobicContact CB-SD 4.34Å
414T96.1Very high97.3Very high34 Ų3442.9 Ų42.921%0.20923%0.228CC..SBendtrans-112.91.3-175.962.10000114.4K404 A407 L408 I412 W442K404-T414 HydrophobicContact CG-CG2 4.21Å; A407-T414 HydrophobicContact CB-CG2 3.79Å; L408-T414 HydrophobicContact CD2-CG2 4.08Å; L408-T414 HydrophobicContact CG-CG2 4.28Å; I412-T414 WeakPolarHBondContact O-CG2 3.16Å; I412-T414 PolarHBondContact O-N 3.25Å; T414-W442 HydrophobicContact CG2-CZ3 3.95Å
415D94.7Very high97.2Very high126 Ų12640 Ų4067%0.67422%0.215SC*.  trans-114.413.7-17364.2-25000113.6G417D415-G417 PolarHBondContact O-N 2.99Å
416M95.3Very high97Very high48 Ų4834.8 Ų34.824%0.23619%0.191CC..SBendtrans-64.3-21.1-179.9-64.5-61.7-74.400113.5W376 P413 Y418 V555W376-M416 HydrophobicContact CB-CE 3.8Å; W376-M416 HydrophobicContact CD2-CE 4.34Å; W376-M416 HydrophobicContact CG-CE 3.61Å; P413-M416 HydrophobicContact CB-CG 4.06Å; P413-M416 HydrophobicContact CB-SD 4.34Å; M416-Y418 PolarHBondContact O-N 3.11Å; M416-V555 WeakPolarHBondContact O-CG2 3.38Å
417G97.2Very high96.9Very high3 Ų334.1 Ų34.13%0.03119%0.188CC..  trans67.916.8175.900000115D415 R445 V446D415-G417 PolarHBondContact O-N 2.99Å; G417-R445 PolarHBondContact O-N 3.2Å; G417-V446 PolarHBondContact O-N 2.77Å
418Y98.6Very high96.7Very high1 Ų134.1 Ų34.10%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-124.5138.6177.8-179.2-116.2000110.7D308 N346 F378 P379 M416 V420 V446 S448 P554D308-Y418 WeakPolarHBondContact OD2-CE1 3.37Å; D308-Y418 PolarHBondContact OD2-OH 3.23Å; N346-Y418 WeakPolarHBondContact ND2-CD1 3.24Å; N346-Y418 VanDerWaalsContact ND2-CE1 3.26Å; N346-Y418 WeakPolarHBondContact ND2-CE1 3.22Å; F378-Y418 HydrophobicContact CB-CD1 3.78Å; F378-Y418 HydrophobicContact CB-CE1 4.46Å; F378-Y418 VanDerWaalsContact CB-O 3.27Å; F378-Y418 WeakPolarHBondContact CB-O 3.39Å; F378-Y418 AromaticContact CD1-CD1 3.92Å; F378-Y418 HydrophobicContact CD1-CD1 3.92Å; F378-Y418 AromaticContact CD1-CE1 3.92Å; F378-Y418 HydrophobicContact CD1-CE1 3.92Å; F378-Y418 HydrophobicContact CE1-CE1 4.22Å; F378-Y418 AromaticContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CD1 3.88Å; F378-Y418 HydrophobicContact CG-CE1 4.06Å; P379-Y418 WeakPolarHBondContact CD-O 3.11Å; M416-Y418 PolarHBondContact O-N 3.11Å; Y418-V420 HydrophobicContact CE1-CG2 3.78Å; Y418-V420 HydrophobicContact CE2-CG2 4.43Å; Y418-V420 WeakPolarHBondContact OH-CG2 3.49Å; Y418-V446 WeakPolarHBondContact CA-O 3.34Å; Y418-V446 HydrophobicContact CD2-CB 3.87Å; Y418-V446 HydrophobicContact CD2-CG1 3.69Å; Y418-V446 WeakPolarHBondContact CD2-O 3.32Å; Y418-V446 HydrophobicContact CE2-CG1 4.01Å; Y418-S448 WeakPolarHBondContact OH-CB 3.48Å; Y418-S448 PolarHBondContact OH-OG 2.98Å; Y418-P554 HydrophobicContact CD1-CB 3.98Å; Y418-P554 HydrophobicContact CD1-CG 3.87Å; Y418-P554 HydrophobicContact CD2-CB 3.72Å; Y418-P554 HydrophobicContact CD2-CG 4.5Å; Y418-P554 HydrophobicContact CE1-CG 4.44Å; Y418-P554 HydrophobicContact CE2-CB 4.32Å; Y418-P554 HydrophobicContact CG-CB 3.51Å; Y418-P554 HydrophobicContact CG-CG 3.89Å
419A98.2Very high96.5Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-145.9155.6173.500000110.9P379 W438 I444 V446 T447P379-A419 HydrophobicContact CG-CB 3.83Å; A419-W438 HydrophobicContact CB-CD2 4.47Å; A419-W438 HydrophobicContact CB-CZ2 4.04Å; A419-I444 HydrophobicContact CB-CD1 3.59Å; A419-I444 HydrophobicContact CB-CG1 3.78Å; A419-I444 HydrophobicContact CB-CG2 4.14Å; A419-V446 PolarHBondContact N-O 2.87Å; A419-V446 VanDerWaalsContact N-O 3.14Å; A419-T447 VanDerWaalsContact O-CA 3.26Å; A419-T447 WeakPolarHBondContact O-CA 3.5Å; A419-T447 WeakPolarHBondContact O-CB 3.47Å; A419-T447 PolarHBondContact O-OG1 3.44Å
420V97.9Very high96.4Very high1 Ų122.2 Ų22.21%0.00613%0.131CC..  trans-129.3132.2170.8-178.10000106.9F378 H380 Y418F378-V420 HydrophobicContact CD2-CB 4.08Å; F378-V420 HydrophobicContact CD2-CG2 3.96Å; F378-V420 HydrophobicContact CE2-CB 3.69Å; F378-V420 HydrophobicContact CE2-CG2 3.63Å; F378-V420 HydrophobicContact CZ-CG2 4.14Å; H380-V420 PolarHBondContact ND1-O 3.18Å; Y418-V420 HydrophobicContact CE1-CG2 3.78Å; Y418-V420 HydrophobicContact CE2-CG2 4.43Å; Y418-V420 WeakPolarHBondContact OH-CG2 3.49Å
421A97.4Very high96.2Very high0 Ų020 Ų200%012%0.12CC..  trans-81.4143.1173.700000111.2P387 H423 H424 S425 V427 L434 W438P387-A421 HydrophobicContact CG-CB 3.72Å; A421-H423 PolarHBondContact O-N 2.92Å; A421-H424 WeakPolarHBondContact O-CA 3.42Å; A421-H424 PolarHBondContact O-N 2.88Å; A421-S425 WeakPolarHBondContact CB-O 3.45Å; A421-V427 HydrophobicContact CB-CG2 3.95Å; A421-L434 HydrophobicContact CB-CD2 4Å; A421-W438 HydrophobicContact CB-CH2 4.17Å; A421-W438 HydrophobicContact CB-CZ2 3.86Å
422P96.6Very high95.9Very high0 Ų019.5 Ų19.50%011%0.107CC..G310 helixtrans-48.1130.3171.3-32.637.9000112.4H380 M381 Q386 H424 S425H380-P422 VanDerWaalsContact O-CG 3.31Å; H380-P422 WeakPolarHBondContact O-CG 3.36Å; M381-P422 HydrophobicContact CB-CG 4.02Å; M381-P422 VanDerWaalsContact CG-CD 3.48Å; M381-P422 HydrophobicContact CG-CG 3.9Å; Q386-P422 HydrophobicContact CG-CB 4.49Å; P422-H424 PolarHBondContact O-N 2.85Å; P422-H424 VanDerWaalsContact O-N 3.09Å; P422-S425 PolarHBondContact O-N 3Å
423H93.9Very high95.7Very high85 Ų8522 Ų2239%0.39412%0.118SC..G310 helixtrans55.419.6-176.2-57.9-91.1000115.1Q386 A421 S425Q386-H423 VanDerWaalsContact CD-CD2 3.43Å; Q386-H423 HydrophobicContact CG-CB 4.14Å; Q386-H423 VanDerWaalsContact CG-CD2 3.43Å; Q386-H423 WeakPolarHBondContact CG-CD2 3.48Å; Q386-H423 PolarHBondContact NE2-CD2 2.7Å; Q386-H423 PolarHBondContact NE2-NE2 3.3Å; A421-H423 PolarHBondContact O-N 2.92Å; H423-S425 PolarHBondContact O-N 2.74Å
424H95.2Very high95.7Very high3 Ų320 Ų201%0.01411%0.105CC..G310 helixtrans57.112.9-172.9-52.7-72.3000115.1A421 P422 G426 V427 S448 T449 E450 E451 M518A421-H424 WeakPolarHBondContact O-CA 3.42Å; A421-H424 PolarHBondContact O-N 2.88Å; P422-H424 PolarHBondContact O-N 2.85Å; P422-H424 VanDerWaalsContact O-N 3.09Å; H424-G426 PolarHBondContact O-N 2.8Å; H424-V427 WeakPolarHBondContact O-CB 3.2Å; H424-V427 PolarHBondContact O-N 2.99Å; H424-S448 PolarHBondContact ND1-O 2.97Å; H424-T449 WeakPolarHBondContact CB-OG1 3.43Å; H424-E450 IonicContact CD2-OE1 3.59Å; H424-E451 HydrophobicContact CB-CG 4.02Å; H424-M518 PolarHBondContact NE2-SD 2.73Å
425S95.8Very high95.8Very high0 Ų018.3 Ų18.30%010%0.095CC..THydrogen-bonded Turntrans-61.9131.9-177.6142.90000110.4P387 H388 A421 P422 H423 V427P387-S425 WeakPolarHBondContact CD-O 3.24Å; P387-S425 WeakPolarHBondContact CD-OG 3.36Å; P387-S425 WeakPolarHBondContact CG-O 3.38Å; H388-S425 PolarHBondContact N-OG 2.91Å; H388-S425 WeakPolarHBondContact ND1-CB 3.48Å; H388-S425 PolarHBondContact ND1-OG 3.26Å; A421-S425 WeakPolarHBondContact CB-O 3.45Å; P422-S425 PolarHBondContact O-N 3Å; H423-S425 PolarHBondContact O-N 2.74Å; S425-V427 PolarHBondContact O-N 2.89Å
426G94.4Very high95.8Very high1 Ų115.4 Ų15.41%0.018%0.077CC..THydrogen-bonded Turntrans79.6-11.217800000114.5H424 P429 V430 H431 Y435H424-G426 PolarHBondContact O-N 2.8Å; G426-P429 CarbonylContact C-O 3.26Å; G426-P429 WeakPolarHBondContact CA-O 3.33Å; G426-V430 WeakPolarHBondContact O-CA 3.39Å; G426-H431 PolarHBondContact O-N 3.35Å; G426-Y435 WeakPolarHBondContact O-CE2 3.32Å
427V96.6Very high95.9Very high0 Ų013.1 Ų13.10%07%0.066CC..THydrogen-bonded Turntrans-72.4-52.1166.7-173.50000109.1A421 H424 S425 V430 L434 Y435 W438 T447 T449 V471A421-V427 HydrophobicContact CB-CG2 3.95Å; H424-V427 WeakPolarHBondContact O-CB 3.2Å; H424-V427 PolarHBondContact O-N 2.99Å; S425-V427 PolarHBondContact O-N 2.89Å; V427-V430 WeakPolarHBondContact O-CG2 3.5Å; V427-L434 HydrophobicContact CG2-CD2 4.32Å; V427-Y435 PolarHBondContact O-OH 3.24Å; V427-W438 HydrophobicContact CG2-CH2 3.68Å; V427-W438 HydrophobicContact CG2-CZ3 4.29Å; V427-T447 HydrophobicContact CG1-CG2 3.7Å; V427-T449 HydrophobicContact CG1-CG2 3.88Å; V427-V471 HydrophobicContact CG1-CG1 3.81Å
428Y95.6Very high96Very high0 Ų013.2 Ų13.20%07%0.065CC..THydrogen-bonded Turntrans-149.4128168.1-167.5-98.6000110.9E451 Y452 P453 F464 W573 Q574 H582 I585Y428-E451 HydrophobicContact CD1-CB 4.41Å; Y428-E451 WeakPolarHBondContact CD1-O 3.47Å; Y428-Y452 AromaticContact CD1-CD2 3.87Å; Y428-Y452 HydrophobicContact CD1-CD2 3.87Å; Y428-Y452 HydrophobicContact CD1-CG 4.5Å; Y428-Y452 AromaticContact CD2-CD2 3.44Å; Y428-Y452 HydrophobicContact CD2-CD2 3.44Å; Y428-Y452 VanDerWaalsContact CD2-CD2 3.44Å; Y428-Y452 HydrophobicContact CD2-CE2 4.14Å; Y428-Y452 HydrophobicContact CD2-CG 4.26Å; Y428-Y452 AromaticContact CE1-CD2 3.75Å; Y428-Y452 HydrophobicContact CE1-CD2 3.75Å; Y428-Y452 HydrophobicContact CE1-CE2 4.47Å; Y428-Y452 AromaticContact CE2-CD2 3.32Å; Y428-Y452 HydrophobicContact CE2-CD2 3.32Å; Y428-Y452 AromaticContact CE2-CE2 3.63Å; Y428-Y452 HydrophobicContact CE2-CE2 3.63Å; Y428-Y452 HydrophobicContact CE2-CG 4.5Å; Y428-Y452 AromaticContact CG-CD2 3.7Å; Y428-Y452 HydrophobicContact CG-CD2 3.7Å; Y428-Y452 HydrophobicContact CG-CG 4.26Å; Y428-Y452 AromaticContact CZ-CD2 3.47Å; Y428-Y452 VanDerWaalsContact CZ-CD2 3.47Å; Y428-Y452 AromaticContact CZ-CE2 3.81Å; Y428-P453 WeakPolarHBondContact CE1-O 3.38Å; Y428-F464 HydrophobicContact CD2-CE1 4.47Å; Y428-F464 HydrophobicContact CD2-CZ 4.28Å; Y428-W573 HydrophobicContact CE2-CE3 4.02Å; Y428-W573 HydrophobicContact CE2-CZ3 4.27Å; Y428-Q574 WeakPolarHBondContact OH-CA 3.18Å; Y428-Q574 WeakPolarHBondContact OH-CB 3.5Å; Y428-Q574 PolarHBondContact OH-N 3.32Å; Y428-H582 AromaticContact CD1-CE1 3.95Å; Y428-H582 AromaticContact CD1-NE2 3.87Å; Y428-H582 AromaticContact CE1-CE1 3.52Å; Y428-H582 AromaticContact CE1-ND1 3.91Å; Y428-H582 AromaticContact CE1-NE2 3.93Å; Y428-I585 WeakPolarHBondContact O-CD1 3.4Å
429P94.6Very high95.9Very high2 Ų216.2 Ų16.21%0.0138%0.078CC..THydrogen-bonded Turncis-56.9143.9-7.3-21.733.2000112G426 H431 P576 H582G426-P429 CarbonylContact C-O 3.26Å; G426-P429 WeakPolarHBondContact CA-O 3.33Å; P429-H431 PolarHBondContact O-N 3.31Å; P429-P576 HydrophobicContact CB-CB 4.32Å; P429-P576 HydrophobicContact CB-CG 4.25Å; P429-P576 HydrophobicContact CG-CB 3.85Å; P429-P576 HydrophobicContact CG-CG 4.27Å; P429-H582 HydrophobicContact CG-CB 3.64Å
430V94.8Very high95.8Very high11 Ų1122.8 Ų22.87%0.06711%0.107CC..THydrogen-bonded Turntrans-61.8131.9-174.2171.10000110.5G426 V427 V432 Y435 F464 W573 K590G426-V430 WeakPolarHBondContact O-CA 3.39Å; V427-V430 WeakPolarHBondContact O-CG2 3.5Å; V430-V432 HydrophobicContact CG1-CG2 4.31Å; V430-Y435 HydrophobicContact CB-CE2 4.48Å; V430-Y435 HydrophobicContact CG1-CD2 4.09Å; V430-Y435 HydrophobicContact CG1-CE2 3.85Å; V430-Y435 HydrophobicContact CG2-CE2 4.31Å; V430-F464 HydrophobicContact CG2-CE2 4.22Å; V430-F464 HydrophobicContact CG2-CZ 4.35Å; V430-W573 HydrophobicContact CG2-CH2 4.11Å; V430-W573 HydrophobicContact CG2-CZ3 3.94Å; V430-K590 PolarHBondContact O-NZ 3.38Å
431H93.9Very high95.8Very high4 Ų423.4 Ų23.42%0.01911%0.111CC..  trans-110.9104.1165.9-174.961.1000108.1F390 G426 P429 Q433 L434F390-H431 PolarHBondContact O-NE2 3.07Å; G426-H431 PolarHBondContact O-N 3.35Å; P429-H431 PolarHBondContact O-N 3.31Å; H431-Q433 VanDerWaalsContact CE1-CD 3.45Å; H431-Q433 PolarHBondContact CE1-OE1 3.44Å; H431-Q433 PolarHBondContact ND1-OE1 2.82Å; H431-Q433 PolarHBondContact O-N 2.73Å; H431-L434 HydrophobicContact CB-CB 4.41Å; H431-L434 VanDerWaalsContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CB 3.45Å; H431-L434 PolarHBondContact O-N 2.88Å
432V92.8Very high95.8Very high44 Ų4423.9 Ų23.927%0.26711%0.113SC..Hα-helixtrans-56.5-39-168.9175.40000112.3V430 L434 Y435 E436 D647V430-V432 HydrophobicContact CG1-CG2 4.31Å; V432-L434 PolarHBondContact O-N 3.46Å; V432-Y435 PolarHBondContact O-N 3.48Å; V432-Y435 VanDerWaalsContact O-N 3.1Å; V432-E436 HydrophobicContact CG1-CG 4.42Å; V432-E436 PolarHBondContact O-N 2.98Å; V432-E436 VanDerWaalsContact O-N 3.12Å; V432-D647 HydrophobicContact CG2-CB 4.11Å
433Q94.1Very high95.8Very high56 Ų5628.8 Ų28.826%0.26214%0.139SC..Hα-helixtrans-60-31.8179.1-60.888.9-3400112.6E393 L396 H431 A437E393-Q433 HydrophobicContact CB-CB 4.3Å; E393-Q433 HydrophobicContact CB-CG 4.33Å; L396-Q433 HydrophobicContact CD1-CB 3.85Å; H431-Q433 VanDerWaalsContact CE1-CD 3.45Å; H431-Q433 PolarHBondContact CE1-OE1 3.44Å; H431-Q433 PolarHBondContact ND1-OE1 2.82Å; H431-Q433 PolarHBondContact O-N 2.73Å; Q433-A437 VanDerWaalsContact O-CB 3.25Å; Q433-A437 WeakPolarHBondContact O-CB 3.44Å; Q433-A437 PolarHBondContact O-N 2.89Å
434L96.5Very high96Very high0 Ų025 Ų250%012%0.122CC..Hα-helixtrans-63.9-47.2175.2176.662.5000111P387 M400 A421 V427 H431 V432 E436 A437 W438P387-L434 HydrophobicContact CB-CB 4.3Å; P387-L434 HydrophobicContact CB-CD1 3.9Å; P387-L434 HydrophobicContact CB-CD2 3.98Å; P387-L434 HydrophobicContact CB-CG 4.28Å; P387-L434 HydrophobicContact CG-CD1 3.72Å; P387-L434 HydrophobicContact CG-CD2 3.94Å; P387-L434 HydrophobicContact CG-CG 4.38Å; M400-L434 HydrophobicContact CE-CD1 3.66Å; A421-L434 HydrophobicContact CB-CD2 4Å; V427-L434 HydrophobicContact CG2-CD2 4.32Å; H431-L434 HydrophobicContact CB-CB 4.41Å; H431-L434 VanDerWaalsContact O-CB 3.28Å; H431-L434 WeakPolarHBondContact O-CB 3.45Å; H431-L434 PolarHBondContact O-N 2.88Å; V432-L434 PolarHBondContact O-N 3.46Å; L434-E436 PolarHBondContact O-N 3.08Å; L434-A437 PolarHBondContact O-N 3.49Å; L434-W438 HydrophobicContact CD1-CD2 3.85Å; L434-W438 HydrophobicContact CD1-CE3 4.4Å; L434-W438 HydrophobicContact CD1-CG 4.26Å; L434-W438 HydrophobicContact CD1-CH2 4.43Å; L434-W438 HydrophobicContact CD1-CZ2 3.85Å; L434-W438 HydrophobicContact CD2-CE3 4.39Å; L434-W438 HydrophobicContact CD2-CH2 3.78Å; L434-W438 HydrophobicContact CD2-CZ2 3.97Å; L434-W438 HydrophobicContact CD2-CZ3 3.97Å; L434-W438 HydrophobicContact CG-CD2 3.89Å; L434-W438 HydrophobicContact CG-CE3 3.93Å; L434-W438 HydrophobicContact CG-CH2 4.12Å; L434-W438 HydrophobicContact CG-CZ2 4.04Å; L434-W438 HydrophobicContact CG-CZ3 4.03Å; L434-W438 VanDerWaalsContact O-CB 3.27Å; L434-W438 WeakPolarHBondContact O-CB 3.47Å; L434-W438 PolarHBondContact O-N 3.48Å
435Y96.9Very high96.2Very high0 Ų030.2 Ų30.20%014%0.141CC..Hα-helixtrans-65.9-38.3-178.8-75.9-110000111.5G426 V427 V430 V432 K439 H466 N467 I469 V471G426-Y435 WeakPolarHBondContact O-CE2 3.32Å; V427-Y435 PolarHBondContact O-OH 3.24Å; V430-Y435 HydrophobicContact CB-CE2 4.48Å; V430-Y435 HydrophobicContact CG1-CD2 4.09Å; V430-Y435 HydrophobicContact CG1-CE2 3.85Å; V430-Y435 HydrophobicContact CG2-CE2 4.31Å; V432-Y435 PolarHBondContact O-N 3.48Å; V432-Y435 VanDerWaalsContact O-N 3.1Å; Y435-K439 WeakPolarHBondContact O-CE 3.39Å; Y435-K439 WeakPolarHBondContact O-CG 3.48Å; Y435-K439 PolarHBondContact O-N 3.28Å; Y435-H466 AromaticContact CD1-CD2 3.85Å; Y435-H466 HydrophobicContact CE1-CB 4.06Å; Y435-H466 AromaticContact CE1-CD2 3.88Å; Y435-N467 HydrophobicContact CD1-CB 4.35Å; Y435-I469 HydrophobicContact CD1-CB 3.92Å; Y435-I469 HydrophobicContact CD1-CD1 3.73Å; Y435-I469 HydrophobicContact CD1-CG1 4.08Å; Y435-I469 HydrophobicContact CE1-CB 3.98Å; Y435-I469 HydrophobicContact CE1-CD1 4.45Å; Y435-I469 HydrophobicContact CE1-CG2 4.28Å; Y435-I469 HydrophobicContact CG-CD1 4.35Å; Y435-V471 HydrophobicContact CE1-CG2 4.35Å; Y435-V471 WeakPolarHBondContact OH-CG2 3.38Å
436E96.2Very high96.3Very high65 Ų6530.2 Ų30.230%0.30414%0.141SC..Hα-helixtrans-67.5-47.5174.9-64.5-56154.800112.1V432 L434 W438 K439 K440 N467V432-E436 HydrophobicContact CG1-CG 4.42Å; V432-E436 PolarHBondContact O-N 2.98Å; V432-E436 VanDerWaalsContact O-N 3.12Å; L434-E436 PolarHBondContact O-N 3.08Å; E436-W438 VanDerWaalsContact C-N 3.32Å; E436-W438 PolarHBondContact O-N 2.87Å; E436-K439 VanDerWaalsContact CD-NZ 3.29Å; E436-K439 PolarHBondContact O-N 2.89Å; E436-K439 IonicContact OE1-NZ 3.44Å; E436-K439 PolarHBondContact OE1-NZ 3.08Å; E436-K439 VanDerWaalsContact OE1-NZ 3.1Å; E436-K439 WeakPolarHBondContact OE2-CE 3.36Å; E436-K439 IonicContact OE2-NZ 3.68Å; E436-K439 PolarHBondContact OE2-NZ 3.1Å; E436-K440 VanDerWaalsContact O-CB 3.29Å; E436-K440 WeakPolarHBondContact O-CB 3.43Å; E436-K440 PolarHBondContact O-N 3.34Å; E436-N467 PolarHBondContact OE1-ND2 2.98Å
437A97.4Very high96.5Very high0 Ų030.2 Ų30.20%014%0.141CC..Hα-helixtrans-61.1-40.8177.900000112E393 L396 V397 M400 Q433 L434 K440 V441E393-A437 HydrophobicContact CG-CB 4.46Å; L396-A437 HydrophobicContact CB-CB 4.06Å; V397-A437 HydrophobicContact CG2-CB 3.78Å; M400-A437 HydrophobicContact CE-CB 3.77Å; M400-A437 HydrophobicContact SD-CB 3.72Å; Q433-A437 VanDerWaalsContact O-CB 3.25Å; Q433-A437 WeakPolarHBondContact O-CB 3.44Å; Q433-A437 PolarHBondContact O-N 2.89Å; L434-A437 PolarHBondContact O-N 3.49Å; A437-K440 PolarHBondContact O-N 2.77Å; A437-V441 WeakPolarHBondContact O-CB 3.28Å; A437-V441 WeakPolarHBondContact O-CG2 3.33Å; A437-V441 PolarHBondContact O-N 3.17Å
438W97.7Very high96.6Very high4 Ų430.2 Ų30.22%0.01514%0.141CC..Hα-helixtrans-60.5-48175.6-88.3-15.6000113.5M400 A419 A421 V427 L434 E436 K440 W442 D443 I444 T447 I469M400-W438 HydrophobicContact CE-CG 4.16Å; A419-W438 HydrophobicContact CB-CD2 4.47Å; A419-W438 HydrophobicContact CB-CZ2 4.04Å; A421-W438 HydrophobicContact CB-CH2 4.17Å; A421-W438 HydrophobicContact CB-CZ2 3.86Å; V427-W438 HydrophobicContact CG2-CH2 3.68Å; V427-W438 HydrophobicContact CG2-CZ3 4.29Å; L434-W438 HydrophobicContact CD1-CD2 3.85Å; L434-W438 HydrophobicContact CD1-CE3 4.4Å; L434-W438 HydrophobicContact CD1-CG 4.26Å; L434-W438 HydrophobicContact CD1-CH2 4.43Å; L434-W438 HydrophobicContact CD1-CZ2 3.85Å; L434-W438 HydrophobicContact CD2-CE3 4.39Å; L434-W438 HydrophobicContact CD2-CH2 3.78Å; L434-W438 HydrophobicContact CD2-CZ2 3.97Å; L434-W438 HydrophobicContact CD2-CZ3 3.97Å; L434-W438 HydrophobicContact CG-CD2 3.89Å; L434-W438 HydrophobicContact CG-CE3 3.93Å; L434-W438 HydrophobicContact CG-CH2 4.12Å; L434-W438 HydrophobicContact CG-CZ2 4.04Å; L434-W438 HydrophobicContact CG-CZ3 4.03Å; L434-W438 VanDerWaalsContact O-CB 3.27Å; L434-W438 WeakPolarHBondContact O-CB 3.47Å; L434-W438 PolarHBondContact O-N 3.48Å; E436-W438 VanDerWaalsContact C-N 3.32Å; E436-W438 PolarHBondContact O-N 2.87Å; W438-K440 VanDerWaalsContact C-N 3.32Å; W438-K440 PolarHBondContact O-N 2.93Å; W438-W442 CarbonylContact O-C 3.47Å; W438-W442 PolarHBondContact O-N 3.31Å; W438-D443 PolarHBondContact O-N 3.3Å; W438-I444 HydrophobicContact CB-CB 3.91Å; W438-I444 HydrophobicContact CB-CG1 3.77Å; W438-I444 HydrophobicContact CD2-CG1 4.5Å; W438-I444 HydrophobicContact CG-CB 4.32Å; W438-I444 HydrophobicContact CG-CG1 3.89Å; W438-I444 PolarHBondContact O-N 3.39Å; W438-T447 HydrophobicContact CH2-CG2 4.24Å; W438-T447 VanDerWaalsContact CH2-OG1 3.31Å; W438-T447 WeakPolarHBondContact CH2-OG1 3.26Å; W438-T447 HydrophobicContact CZ3-CG2 3.87Å; W438-I469 HydrophobicContact CB-CD1 4.36Å; W438-I469 HydrophobicContact CE3-CD1 4.13Å
439K96.9Very high96.7Very high64 Ų6430.2 Ų30.228%0.27814%0.141SC..Hα-helixtrans-60.9-44.6174.9-72.1180-65.7168.40111.1Y435 E436 D443 N467 I469Y435-K439 WeakPolarHBondContact O-CE 3.39Å; Y435-K439 WeakPolarHBondContact O-CG 3.48Å; Y435-K439 PolarHBondContact O-N 3.28Å; E436-K439 VanDerWaalsContact CD-NZ 3.29Å; E436-K439 PolarHBondContact O-N 2.89Å; E436-K439 IonicContact OE1-NZ 3.44Å; E436-K439 PolarHBondContact OE1-NZ 3.08Å; E436-K439 VanDerWaalsContact OE1-NZ 3.1Å; E436-K439 WeakPolarHBondContact OE2-CE 3.36Å; E436-K439 IonicContact OE2-NZ 3.68Å; E436-K439 PolarHBondContact OE2-NZ 3.1Å; K439-D443 WeakPolarHBondContact O-CA 3.31Å; K439-D443 PolarHBondContact O-N 2.86Å; K439-N467 WeakPolarHBondContact CE-ND2 3.33Å; K439-N467 PolarHBondContact NZ-ND2 3.4Å; K439-N467 PolarHBondContact NZ-OD1 3.2Å; K439-I469 HydrophobicContact CG-CD1 4.18Å; K439-I469 HydrophobicContact CG-CG1 4.45Å
440K96.8Very high96.7Very high139 Ų13931.2 Ų31.260%0.60415%0.146SC*.Hα-helixtrans-67.4-42.5-174.5-174.6178.8-177.8179.80113.5E393 V397 E436 A437 W438E393-K440 IonicContact OE1-NZ 3.62Å; E393-K440 PolarHBondContact OE1-NZ 3.25Å; V397-K440 HydrophobicContact CG2-CD 4.13Å; E436-K440 VanDerWaalsContact O-CB 3.29Å; E436-K440 WeakPolarHBondContact O-CB 3.43Å; E436-K440 PolarHBondContact O-N 3.34Å; A437-K440 PolarHBondContact O-N 2.77Å; W438-K440 VanDerWaalsContact C-N 3.32Å; W438-K440 PolarHBondContact O-N 2.93Å
441V97.8Very high96.7Very high14 Ų1430.7 Ų30.79%0.08514%0.142CC..Hα-helixtrans-94.3-40.1-173.1-176.80000112V397 M400 I401 K404 A437V397-V441 HydrophobicContact CB-CG2 4.29Å; V397-V441 HydrophobicContact CG1-CG2 3.84Å; V397-V441 HydrophobicContact CG2-CG2 4.18Å; M400-V441 HydrophobicContact CB-CB 4.01Å; M400-V441 HydrophobicContact CB-CG1 3.78Å; M400-V441 HydrophobicContact CB-CG2 4.04Å; M400-V441 HydrophobicContact SD-CB 4.45Å; I401-V441 HydrophobicContact CG1-CG1 4.12Å; I401-V441 HydrophobicContact CG1-CG2 4.32Å; K404-V441 HydrophobicContact CB-CG1 4.48Å; K404-V441 HydrophobicContact CD-CG1 4.04Å; K404-V441 WeakPolarHBondContact CD-O 3.48Å; K404-V441 PolarHBondContact NZ-O 3.06Å; A437-V441 WeakPolarHBondContact O-CB 3.28Å; A437-V441 WeakPolarHBondContact O-CG2 3.33Å; A437-V441 PolarHBondContact O-N 3.17Å
442W97.1Very high96.8Very high9 Ų930.5 Ų30.53%0.03414%0.141CC..Hα-helixtrans-119.4-3.4-167.2-69.799.8000114.6F349 P379 M400 N403 K404 A407 T414 W438 I444F349-W442 AromaticContact CZ-CH2 3.96Å; F349-W442 HydrophobicContact CZ-CH2 3.96Å; P379-W442 HydrophobicContact CB-CD2 3.98Å; P379-W442 HydrophobicContact CB-CE3 4.25Å; P379-W442 HydrophobicContact CB-CH2 3.86Å; P379-W442 HydrophobicContact CB-CZ2 3.57Å; P379-W442 HydrophobicContact CB-CZ3 4.19Å; P379-W442 HydrophobicContact CG-CD2 3.7Å; P379-W442 HydrophobicContact CG-CE3 3.93Å; P379-W442 HydrophobicContact CG-CG 4.06Å; P379-W442 HydrophobicContact CG-CH2 4.43Å; P379-W442 HydrophobicContact CG-CZ2 4.24Å; P379-W442 HydrophobicContact CG-CZ3 4.28Å; M400-W442 PolarHBondContact O-NE1 2.88Å; N403-W442 HydrophobicContact CB-CZ2 4.11Å; K404-W442 VanDerWaalsContact CA-CZ2 3.46Å; K404-W442 HydrophobicContact CB-CH2 3.64Å; K404-W442 HydrophobicContact CB-CZ2 3.48Å; K404-W442 VanDerWaalsContact CB-CZ2 3.48Å; K404-W442 HydrophobicContact CB-CZ3 4.26Å; K404-W442 HydrophobicContact CD-CD2 4.45Å; K404-W442 HydrophobicContact CD-CE3 4.4Å; K404-W442 HydrophobicContact CG-CE3 4.33Å; K404-W442 HydrophobicContact CG-CH2 3.86Å; K404-W442 HydrophobicContact CG-CZ2 4.1Å; K404-W442 HydrophobicContact CG-CZ3 3.98Å; A407-W442 HydrophobicContact CB-CH2 4.19Å; T414-W442 HydrophobicContact CG2-CZ3 3.95Å; W438-W442 CarbonylContact O-C 3.47Å; W438-W442 PolarHBondContact O-N 3.31Å; W442-I444 HydrophobicContact CB-CD1 3.49Å; W442-I444 VanDerWaalsContact CB-CD1 3.49Å; W442-I444 HydrophobicContact CB-CG1 3.66Å; W442-I444 HydrophobicContact CG-CD1 4.41Å; W442-I444 PolarHBondContact O-N 3.04Å
443D97.1Very high96.8Very high104 Ų10428.9 Ų28.956%0.55613%0.132SC*.  trans51.343.1-172.5-167.539.6000112.7W438 K439 R445W438-D443 PolarHBondContact O-N 3.3Å; K439-D443 WeakPolarHBondContact O-CA 3.31Å; K439-D443 PolarHBondContact O-N 2.86Å; D443-R445 PolarHBondContact O-N 3.23Å
444I98.3Very high96.6Very high5 Ų528.8 Ų28.83%0.02613%0.131CC..  trans-67.8131.1-179.3-56.6-52.7000110.4P379 A419 W438 W442 V446 I469P379-I444 HydrophobicContact CG-CD1 4.47Å; A419-I444 HydrophobicContact CB-CD1 3.59Å; A419-I444 HydrophobicContact CB-CG1 3.78Å; A419-I444 HydrophobicContact CB-CG2 4.14Å; W438-I444 HydrophobicContact CB-CB 3.91Å; W438-I444 HydrophobicContact CB-CG1 3.77Å; W438-I444 HydrophobicContact CD2-CG1 4.5Å; W438-I444 HydrophobicContact CG-CB 4.32Å; W438-I444 HydrophobicContact CG-CG1 3.89Å; W438-I444 PolarHBondContact O-N 3.39Å; W442-I444 HydrophobicContact CB-CD1 3.49Å; W442-I444 VanDerWaalsContact CB-CD1 3.49Å; W442-I444 HydrophobicContact CB-CG1 3.66Å; W442-I444 HydrophobicContact CG-CD1 4.41Å; W442-I444 PolarHBondContact O-N 3.04Å; I444-V446 WeakPolarHBondContact CG2-O 3.38Å; I444-I469 HydrophobicContact CB-CD1 4.38Å; I444-I469 HydrophobicContact CG2-CD1 4.28Å; I444-I469 HydrophobicContact CG2-CG2 4.42Å
445R98.4Very high96.3Very high113 Ų11331 Ų3143%0.42614%0.143SC..  trans-115-20.7175.1-65.1176.4-69.6-172.5-3.7112.1G417 D443 I469 M470G417-R445 PolarHBondContact O-N 3.2Å; D443-R445 PolarHBondContact O-N 3.23Å; R445-I469 WeakPolarHBondContact O-CA 3.3Å; R445-M470 PolarHBondContact O-N 2.88Å
446V98.7Very high95.9Very high0 Ų039.2 Ų39.20%018%0.178CC..EExtended strand (participates in β ladder)trans-134.6142.8-177.8-174.30000111.5G417 Y418 A419 I444 M470 L472 V555 A558G417-V446 PolarHBondContact O-N 2.77Å; Y418-V446 WeakPolarHBondContact CA-O 3.34Å; Y418-V446 HydrophobicContact CD2-CB 3.87Å; Y418-V446 HydrophobicContact CD2-CG1 3.69Å; Y418-V446 WeakPolarHBondContact CD2-O 3.32Å; Y418-V446 HydrophobicContact CE2-CG1 4.01Å; A419-V446 PolarHBondContact N-O 2.87Å; A419-V446 VanDerWaalsContact N-O 3.14Å; I444-V446 WeakPolarHBondContact CG2-O 3.38Å; V446-M470 CarbonylContact C-O 3.46Å; V446-M470 VanDerWaalsContact CA-O 3.26Å; V446-M470 WeakPolarHBondContact CA-O 3.34Å; V446-M470 HydrophobicContact CG2-CB 4.21Å; V446-M470 HydrophobicContact CG2-CE 3.89Å; V446-L472 HydrophobicContact CG1-CD1 3.99Å; V446-L472 HydrophobicContact CG1-CG 4.14Å; V446-V555 HydrophobicContact CG2-CB 4.37Å; V446-V555 HydrophobicContact CG2-CG2 4.12Å; V446-A558 HydrophobicContact CB-CB 4.33Å; V446-A558 HydrophobicContact CG1-CB 3.74Å; V446-A558 HydrophobicContact CG2-CB 3.53Å
447T98.6Very high95.7Very high0 Ų038.1 Ų38.10%018%0.177CC..EExtended strand (participates in β ladder)trans-141176.3165-170.50000110A419 V427 W438 I469 M470 V471 L472A419-T447 VanDerWaalsContact O-CA 3.26Å; A419-T447 WeakPolarHBondContact O-CA 3.5Å; A419-T447 WeakPolarHBondContact O-CB 3.47Å; A419-T447 PolarHBondContact O-OG1 3.44Å; V427-T447 HydrophobicContact CG1-CG2 3.7Å; W438-T447 HydrophobicContact CH2-CG2 4.24Å; W438-T447 VanDerWaalsContact CH2-OG1 3.31Å; W438-T447 WeakPolarHBondContact CH2-OG1 3.26Å; W438-T447 HydrophobicContact CZ3-CG2 3.87Å; T447-I469 HydrophobicContact CG2-CG2 4.01Å; T447-M470 PolarHBondContact N-O 2.94Å; T447-V471 HydrophobicContact CG2-CB 4.26Å; T447-V471 HydrophobicContact CG2-CG1 4.12Å; T447-V471 HydrophobicContact CG2-CG2 3.76Å; T447-V471 WeakPolarHBondContact O-CA 3.39Å; T447-L472 PolarHBondContact O-N 2.98Å
448S98.1Very high95.3Very high0 Ų039.7 Ų39.70%019%0.19CC..EExtended strand (participates in β ladder)trans-137.9152.417568.10000111.9Y418 H424 L472 R474Y418-S448 WeakPolarHBondContact OH-CB 3.48Å; Y418-S448 PolarHBondContact OH-OG 2.98Å; H424-S448 PolarHBondContact ND1-O 2.97Å; S448-L472 VanDerWaalsContact CA-O 3.22Å; S448-L472 WeakPolarHBondContact CA-O 3.41Å; S448-R474 WeakPolarHBondContact OG-CD 3.25Å
449T97.3Very high95Very high1 Ų143.7 Ų43.71%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-150.2146176.6-175.40000111.7H424 V427 E451 V471 L472 R474H424-T449 WeakPolarHBondContact CB-OG1 3.43Å; V427-T449 HydrophobicContact CG1-CG2 3.88Å; T449-E451 WeakPolarHBondContact OG1-CB 3.38Å; T449-E451 PolarHBondContact OG1-N 3.37Å; T449-V471 HydrophobicContact CG2-CG1 3.68Å; T449-L472 PolarHBondContact N-O 3.1Å; T449-R474 PolarHBondContact O-N 2.93Å
450E95.3Very high94.8Very high23 Ų2346 Ų4611%0.10721%0.213CC..SBendtrans-90.3-5.1167.961.1173.5177.900113.3H424 L455 R461 R474 T476H424-E450 IonicContact CD2-OE1 3.59Å; E450-L455 HydrophobicContact CB-CD1 4.07Å; E450-L455 VanDerWaalsContact CD-CD1 3.41Å; E450-L455 HydrophobicContact CG-CD1 3.62Å; E450-L455 WeakPolarHBondContact O-CA 3.33Å; E450-R461 PolarHBondContact O-NE 3.49Å; E450-R461 IonicContact OE2-NH2 2.8Å; E450-R474 HydrophobicContact CB-CB 4.38Å; E450-T476 WeakPolarHBondContact OE2-CG2 3.28Å
451E95.3Very high94.6Very high0 Ų040.1 Ų40.10%019%0.187CC..  trans-87.8-12.6-169.4-60.9-72.2-174.200113.5H424 Y428 T449 P453 H454 R581 H582 I585H424-E451 HydrophobicContact CB-CG 4.02Å; Y428-E451 HydrophobicContact CD1-CB 4.41Å; Y428-E451 WeakPolarHBondContact CD1-O 3.47Å; T449-E451 WeakPolarHBondContact OG1-CB 3.38Å; T449-E451 PolarHBondContact OG1-N 3.37Å; E451-P453 CarbonylContact O-C 3.45Å; E451-P453 VanDerWaalsContact O-C 3.22Å; E451-H454 CarbonylContact O-C 3.44Å; E451-H454 VanDerWaalsContact O-CA 3.23Å; E451-H454 WeakPolarHBondContact O-CA 3.45Å; E451-H454 PolarHBondContact O-N 3.07Å; E451-H454 VanDerWaalsContact O-N 3.16Å; E451-R581 WeakPolarHBondContact OE1-CG 3.49Å; E451-R581 IonicContact OE1-CZ 3.01Å; E451-R581 IonicContact OE1-NE 3.93Å; E451-R581 PolarHBondContact OE1-NE 2.79Å; E451-R581 IonicContact OE1-NH2 3.06Å; E451-R581 WeakPolarHBondContact OE2-CG 3.48Å; E451-H582 PolarHBondContact O-CE1 2.79Å; E451-H582 PolarHBondContact O-NE2 3.26Å; E451-H582 IonicContact OE2-CD2 2.77Å; E451-H582 IonicContact OE2-NE2 3.82Å; E451-I585 HydrophobicContact CG-CD1 3.91Å
452Y96Very high94.5Very high0 Ų041.8 Ų41.80%019%0.192CC..SBendtrans-105.1131.3-172.9-175-107.4000114.2Y428 H454 R461 R462 F464 L572Y428-Y452 AromaticContact CD1-CD2 3.87Å; Y428-Y452 HydrophobicContact CD1-CD2 3.87Å; Y428-Y452 HydrophobicContact CD1-CG 4.5Å; Y428-Y452 AromaticContact CD2-CD2 3.44Å; Y428-Y452 HydrophobicContact CD2-CD2 3.44Å; Y428-Y452 VanDerWaalsContact CD2-CD2 3.44Å; Y428-Y452 HydrophobicContact CD2-CE2 4.14Å; Y428-Y452 HydrophobicContact CD2-CG 4.26Å; Y428-Y452 AromaticContact CE1-CD2 3.75Å; Y428-Y452 HydrophobicContact CE1-CD2 3.75Å; Y428-Y452 HydrophobicContact CE1-CE2 4.47Å; Y428-Y452 AromaticContact CE2-CD2 3.32Å; Y428-Y452 HydrophobicContact CE2-CD2 3.32Å; Y428-Y452 AromaticContact CE2-CE2 3.63Å; Y428-Y452 HydrophobicContact CE2-CE2 3.63Å; Y428-Y452 HydrophobicContact CE2-CG 4.5Å; Y428-Y452 AromaticContact CG-CD2 3.7Å; Y428-Y452 HydrophobicContact CG-CD2 3.7Å; Y428-Y452 HydrophobicContact CG-CG 4.26Å; Y428-Y452 AromaticContact CZ-CD2 3.47Å; Y428-Y452 VanDerWaalsContact CZ-CD2 3.47Å; Y428-Y452 AromaticContact CZ-CE2 3.81Å; Y452-H454 VanDerWaalsContact C-N 3.29Å; Y452-R461 WeakPolarHBondContact O-CA 3.5Å; Y452-R462 HydrophobicContact CD1-CG 4.01Å; Y452-R462 VanDerWaalsContact CD1-O 3.3Å; Y452-R462 WeakPolarHBondContact CD1-O 3.29Å; Y452-R462 HydrophobicContact CE1-CG 3.65Å; Y452-R462 PolarHBondContact O-N 3.44Å; Y452-R462 PolarHBondContact OH-NE 2.83Å; Y452-R462 PolarHBondContact OH-NH2 3.25Å; Y452-F464 AromaticContact CD1-CD1 3.31Å; Y452-F464 HydrophobicContact CD1-CD1 3.31Å; Y452-F464 AromaticContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CG 4.32Å; Y452-F464 HydrophobicContact CD2-CD1 4.23Å; Y452-F464 HydrophobicContact CD2-CE1 4.07Å; Y452-F464 HydrophobicContact CE1-CB 4.11Å; Y452-F464 AromaticContact CE1-CD1 3.55Å; Y452-F464 HydrophobicContact CE1-CD1 3.55Å; Y452-F464 HydrophobicContact CE1-CE1 4.31Å; Y452-F464 HydrophobicContact CE1-CG 4.14Å; Y452-F464 HydrophobicContact CE2-CD1 4.47Å; Y452-F464 AromaticContact CG-CD1 3.71Å; Y452-F464 HydrophobicContact CG-CD1 3.71Å; Y452-F464 AromaticContact CG-CE1 3.63Å; Y452-F464 HydrophobicContact CG-CE1 3.63Å; Y452-L572 WeakPolarHBondContact CE2-O 3.45Å; Y452-L572 WeakPolarHBondContact OH-CA 3.43Å; Y452-L572 PolarHBondContact OH-N 3.21Å; Y452-L572 PolarHBondContact OH-O 2.93Å
453P92.3Very high94.5Very high9 Ų941.4 Ų41.46%0.05819%0.19CC..SBendcis-73.5-19.2-9.331.7-33.5000112.8Y428 E451 Y460 Q574 H582Y428-P453 WeakPolarHBondContact CE1-O 3.38Å; E451-P453 CarbonylContact O-C 3.45Å; E451-P453 VanDerWaalsContact O-C 3.22Å; P453-Y460 WeakPolarHBondContact CD-O 3.38Å; P453-Q574 HydrophobicContact CB-CG 3.58Å; P453-H582 PolarHBondContact O-CE1 2.9Å
454H90.3Very high94.5Very high54 Ų5436.4 Ų36.425%0.2516%0.164CC..  trans-147.6156.8173.4-66.1-74.9000109.8E451 Y452 K456 D579 H582E451-H454 CarbonylContact O-C 3.44Å; E451-H454 VanDerWaalsContact O-CA 3.23Å; E451-H454 WeakPolarHBondContact O-CA 3.45Å; E451-H454 PolarHBondContact O-N 3.07Å; E451-H454 VanDerWaalsContact O-N 3.16Å; Y452-H454 VanDerWaalsContact C-N 3.29Å; H454-K456 VanDerWaalsContact C-N 3.3Å; H454-K456 PolarHBondContact O-N 2.88Å; H454-D579 IonicContact CG-OD2 3.42Å; H454-D579 IonicContact ND1-OD2 3.99Å; H454-D579 PolarHBondContact ND1-OD2 3.4Å; H454-H582 AromaticContact ND1-CE1 3.68Å
455L89.9Confident94.5Very high47 Ų4738.5 Ų38.525%0.24617%0.174CC..SBendtrans-59.9-40.8174.3-17668000112.1E450 R461E450-L455 HydrophobicContact CB-CD1 4.07Å; E450-L455 VanDerWaalsContact CD-CD1 3.41Å; E450-L455 HydrophobicContact CG-CD1 3.62Å; E450-L455 WeakPolarHBondContact O-CA 3.33Å; L455-R461 PolarHBondContact O-NE 3.08Å; L455-R461 PolarHBondContact O-NH2 3.07Å
456K89.8Confident94.5Very high172 Ų17233.5 Ų33.575%0.74816%0.156SC*.SBendtrans-134.7148179.1-68-170.3178.7-173.60111.3H454H454-K456 VanDerWaalsContact C-N 3.3Å; H454-K456 PolarHBondContact O-N 2.88Å
457P91Very high94.3Very high43 Ų4336.2 Ų36.228%0.27917%0.17SC..SBendcis-75.7145-6.133-35.6000111.9R459 Y460P457-R459 HydrophobicContact CB-CG 4.22Å; P457-R459 HydrophobicContact CG-CG 4.33Å; P457-R459 PolarHBondContact O-N 3.01Å; P457-R459 VanDerWaalsContact O-N 3.13Å; P457-Y460 HydrophobicContact CG-CD2 3.4Å; P457-Y460 HydrophobicContact CG-CE2 3.49Å; P457-Y460 VanDerWaalsContact CG-CE2 3.49Å; P457-Y460 HydrophobicContact CG-CG 4.05Å; P457-Y460 PolarHBondContact O-N 3.28Å; P457-Y460 VanDerWaalsContact O-N 3.13Å
458A89.9Confident94.1Very high33 Ų3339.2 Ų39.227%0.27320%0.201SC..G310 helixtrans-59.9-28.4-17400000113.9Y460 R461A458-Y460 PolarHBondContact O-N 3.15Å; A458-Y460 VanDerWaalsContact O-N 3.14Å; A458-R461 VanDerWaalsContact O-CB 3.24Å; A458-R461 WeakPolarHBondContact O-CB 3.49Å; A458-R461 VanDerWaalsContact O-CG 3.29Å; A458-R461 WeakPolarHBondContact O-CG 3.27Å; A458-R461 PolarHBondContact O-N 3.09Å
459R90.8Very high94.1Very high87 Ų8739.3 Ų39.333%0.32820%0.202SC..G310 helixtrans-62.9-16.317865.7-174.4-179-93-0.6115E100 S101 P457E100-R459 WeakPolarHBondContact OE2-CD 3.43Å; E100-R459 IonicContact OE2-CZ 3.35Å; E100-R459 IonicContact OE2-NE 3.55Å; E100-R459 PolarHBondContact OE2-NE 2.75Å; E100-R459 IonicContact OE2-NH2 2.78Å; S101-R459 WeakPolarHBondContact OG-CB 3.21Å; P457-R459 HydrophobicContact CB-CG 4.22Å; P457-R459 HydrophobicContact CG-CG 4.33Å; P457-R459 PolarHBondContact O-N 3.01Å; P457-R459 VanDerWaalsContact O-N 3.13Å
460Y91.6Very high94.2Very high114 Ų11440 Ų4045%0.44721%0.205SC..G310 helixtrans-92.3-6.2174.2-62.7-24.2000113.5E100 P453 P457 A458 R462E100-Y460 HydrophobicContact CG-CE1 4.45Å; E100-Y460 PolarHBondContact OE1-OH 2.81Å; E100-Y460 WeakPolarHBondContact OE2-CE1 3.21Å; E100-Y460 PolarHBondContact OE2-OH 2.96Å; P453-Y460 WeakPolarHBondContact CD-O 3.38Å; P457-Y460 HydrophobicContact CG-CD2 3.4Å; P457-Y460 HydrophobicContact CG-CE2 3.49Å; P457-Y460 VanDerWaalsContact CG-CE2 3.49Å; P457-Y460 HydrophobicContact CG-CG 4.05Å; P457-Y460 PolarHBondContact O-N 3.28Å; P457-Y460 VanDerWaalsContact O-N 3.13Å; A458-Y460 PolarHBondContact O-N 3.15Å; A458-Y460 VanDerWaalsContact O-N 3.14Å; Y460-R462 PolarHBondContact O-N 3.15Å
461R93.9Very high94.3Very high15 Ų1539 Ų396%0.05720%0.2CC..  trans-61.2137.3177.3-65.9174.7-172.7177.7-0.5109.9E450 Y452 L455 A458 P473 R474E450-R461 PolarHBondContact O-NE 3.49Å; E450-R461 IonicContact OE2-NH2 2.8Å; Y452-R461 WeakPolarHBondContact O-CA 3.5Å; L455-R461 PolarHBondContact O-NE 3.08Å; L455-R461 PolarHBondContact O-NH2 3.07Å; A458-R461 VanDerWaalsContact O-CB 3.24Å; A458-R461 WeakPolarHBondContact O-CB 3.49Å; A458-R461 VanDerWaalsContact O-CG 3.29Å; A458-R461 WeakPolarHBondContact O-CG 3.27Å; A458-R461 PolarHBondContact O-N 3.09Å; R461-P473 HydrophobicContact CB-CB 3.93Å; R461-R474 WeakPolarHBondContact CD-O 3.37Å; R461-R474 PolarHBondContact NH1-O 3.45Å
462R95.3Very high94.5Very high49 Ų4939 Ų3919%0.18520%0.201CC..  trans-147.4167.4-178.952.1164.6-179.7-136.9-17111Y452 Y460 Y561 Q568Y452-R462 HydrophobicContact CD1-CG 4.01Å; Y452-R462 VanDerWaalsContact CD1-O 3.3Å; Y452-R462 WeakPolarHBondContact CD1-O 3.29Å; Y452-R462 HydrophobicContact CE1-CG 3.65Å; Y452-R462 PolarHBondContact O-N 3.44Å; Y452-R462 PolarHBondContact OH-NE 2.83Å; Y452-R462 PolarHBondContact OH-NH2 3.25Å; Y460-R462 PolarHBondContact O-N 3.15Å; R462-Y561 WeakPolarHBondContact CA-OH 3.47Å; R462-Q568 VanDerWaalsContact CB-CD 3.47Å; R462-Q568 HydrophobicContact CB-CG 4.45Å; R462-Q568 VanDerWaalsContact CB-NE2 3.34Å
463G97.1Very high94.5Very high0 Ų039.3 Ų39.30%020%0.202CC..  trans-83.7171.5171.200000112.4V471 Y561 Q568G463-V471 CarbonylContact C-O 3.59Å; G463-V471 WeakPolarHBondContact CA-O 3Å; G463-Y561 PolarHBondContact N-OH 3.28Å; G463-Q568 CarbonylContact C-O 3.52Å; G463-Q568 VanDerWaalsContact O-O 3.12Å
464F98Very high94.7Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-158.9162166.265.6-80.3000110.3Y428 V430 Y452 H466 V471 Q568 P571 W573Y428-F464 HydrophobicContact CD2-CE1 4.47Å; Y428-F464 HydrophobicContact CD2-CZ 4.28Å; V430-F464 HydrophobicContact CG2-CE2 4.22Å; V430-F464 HydrophobicContact CG2-CZ 4.35Å; Y452-F464 AromaticContact CD1-CD1 3.31Å; Y452-F464 HydrophobicContact CD1-CD1 3.31Å; Y452-F464 AromaticContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CE1 3.75Å; Y452-F464 HydrophobicContact CD1-CG 4.32Å; Y452-F464 HydrophobicContact CD2-CD1 4.23Å; Y452-F464 HydrophobicContact CD2-CE1 4.07Å; Y452-F464 HydrophobicContact CE1-CB 4.11Å; Y452-F464 AromaticContact CE1-CD1 3.55Å; Y452-F464 HydrophobicContact CE1-CD1 3.55Å; Y452-F464 HydrophobicContact CE1-CE1 4.31Å; Y452-F464 HydrophobicContact CE1-CG 4.14Å; Y452-F464 HydrophobicContact CE2-CD1 4.47Å; Y452-F464 AromaticContact CG-CD1 3.71Å; Y452-F464 HydrophobicContact CG-CD1 3.71Å; Y452-F464 AromaticContact CG-CE1 3.63Å; Y452-F464 HydrophobicContact CG-CE1 3.63Å; F464-H466 HydrophobicContact CD2-CB 3.95Å; F464-H466 HydrophobicContact CE2-CB 3.72Å; F464-V471 HydrophobicContact CD1-CB 3.83Å; F464-V471 HydrophobicContact CD1-CG1 4.06Å; F464-V471 HydrophobicContact CD1-CG2 4.33Å; F464-V471 HydrophobicContact CD2-CB 4.47Å; F464-V471 HydrophobicContact CD2-CG2 4.18Å; F464-V471 HydrophobicContact CE1-CB 3.65Å; F464-V471 HydrophobicContact CE1-CG1 3.52Å; F464-V471 HydrophobicContact CE1-CG2 3.93Å; F464-V471 HydrophobicContact CE2-CB 4.31Å; F464-V471 HydrophobicContact CE2-CG2 3.75Å; F464-V471 HydrophobicContact CG-CB 4.26Å; F464-V471 HydrophobicContact CG-CG2 4.47Å; F464-V471 HydrophobicContact CZ-CB 3.92Å; F464-V471 HydrophobicContact CZ-CG1 3.96Å; F464-V471 HydrophobicContact CZ-CG2 3.62Å; F464-V471 PolarHBondContact N-O 2.69Å; F464-V471 VanDerWaalsContact N-O 3.12Å; F464-V471 WeakPolarHBondContact O-CB 3.45Å; F464-V471 PolarHBondContact O-N 2.89Å; F464-Q568 VanDerWaalsContact CA-O 3.29Å; F464-Q568 WeakPolarHBondContact CA-O 3.22Å; F464-P571 HydrophobicContact CB-CB 4.01Å; F464-P571 HydrophobicContact CD2-CB 4.02Å; F464-P571 HydrophobicContact CG-CB 4.27Å; F464-W573 HydrophobicContact CD2-CH2 4.1Å; F464-W573 HydrophobicContact CD2-CZ3 4.15Å; F464-W573 AromaticContact CE2-CH2 4Å; F464-W573 HydrophobicContact CE2-CH2 4Å; F464-W573 AromaticContact CE2-CZ3 3.91Å; F464-W573 HydrophobicContact CE2-CZ3 3.91Å; F464-W573 HydrophobicContact CZ-CZ3 4.49Å
465I97.9Very high95Very high49 Ų4936.7 Ų36.725%0.25119%0.189SC..EExtended strand (participates in β ladder)trans-109.7127.8170.7-54.4-167.8000109.2I469 M470 F562 T569I465-I469 WeakPolarHBondContact CA-O 3.5Å; I465-M470 HydrophobicContact CD1-CG 3.72Å; I465-M470 HydrophobicContact CG1-CG 3.99Å; I465-F562 HydrophobicContact CD1-CD1 4.43Å; I465-F562 HydrophobicContact CD1-CD2 4.33Å; I465-F562 HydrophobicContact CD1-CE1 4.44Å; I465-F562 HydrophobicContact CD1-CE2 4.38Å; I465-F562 HydrophobicContact CD1-CG 4.37Å; I465-F562 HydrophobicContact CD1-CZ 4.42Å; I465-F562 HydrophobicContact CG1-CD1 4.34Å; I465-F562 HydrophobicContact CG1-CD2 4.48Å; I465-F562 HydrophobicContact CG1-CE1 3.88Å; I465-F562 HydrophobicContact CG1-CE2 4.07Å; I465-F562 HydrophobicContact CG1-CZ 3.73Å; I465-T569 HydrophobicContact CB-CG2 4.39Å; I465-T569 HydrophobicContact CD1-CG2 3.83Å; I465-T569 HydrophobicContact CG1-CG2 4.09Å; I465-T569 PolarHBondContact N-O 3.14Å
466H96.9Very high95.1Very high8 Ų836.4 Ų36.44%0.03719%0.19CC..EExtended strand (participates in β ladder)trans-134.5130.6173.1-177.565000110.6Y435 F464 G468 I469 W573 H643Y435-H466 AromaticContact CD1-CD2 3.85Å; Y435-H466 HydrophobicContact CE1-CB 4.06Å; Y435-H466 AromaticContact CE1-CD2 3.88Å; F464-H466 HydrophobicContact CD2-CB 3.95Å; F464-H466 HydrophobicContact CE2-CB 3.72Å; H466-G468 PolarHBondContact O-N 3.24Å; H466-G468 VanDerWaalsContact O-N 3.14Å; H466-I469 PolarHBondContact N-O 3.36Å; H466-I469 PolarHBondContact O-N 3.45Å; H466-W573 HydrophobicContact CB-CH2 4.25Å; H466-W573 AromaticContact ND1-CH2 3.89Å; H466-W573 AromaticContact ND1-CZ2 3.94Å; H466-H643 PolarHBondContact CE1-O 3.4Å; H466-H643 PolarHBondContact ND1-O 3.17Å
467N94.4Very high95.2Very high57 Ų5728.4 Ų28.431%0.30516%0.155SC..THydrogen-bonded Turntrans53.236.1176.6-161.413.1000114.1Y435 E436 K439 I469Y435-N467 HydrophobicContact CD1-CB 4.35Å; E436-N467 PolarHBondContact OE1-ND2 2.98Å; K439-N467 WeakPolarHBondContact CE-ND2 3.33Å; K439-N467 PolarHBondContact NZ-ND2 3.4Å; K439-N467 PolarHBondContact NZ-OD1 3.2Å; N467-I469 VanDerWaalsContact C-N 3.26Å; N467-I469 PolarHBondContact O-N 2.65Å
468G95.3Very high95.2Very high63 Ų6327.3 Ų27.365%0.64915%0.152SC*.THydrogen-bonded Turntrans79.3-3.1-177.700000115.4H466H466-G468 PolarHBondContact O-N 3.24Å; H466-G468 VanDerWaalsContact O-N 3.14Å
469I98.4Very high95.3Very high1 Ų126 Ų261%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-97.3126.2176.8-58.3-173.3000109.7Y435 W438 K439 I444 R445 T447 I465 H466 N467Y435-I469 HydrophobicContact CD1-CB 3.92Å; Y435-I469 HydrophobicContact CD1-CD1 3.73Å; Y435-I469 HydrophobicContact CD1-CG1 4.08Å; Y435-I469 HydrophobicContact CE1-CB 3.98Å; Y435-I469 HydrophobicContact CE1-CD1 4.45Å; Y435-I469 HydrophobicContact CE1-CG2 4.28Å; Y435-I469 HydrophobicContact CG-CD1 4.35Å; W438-I469 HydrophobicContact CB-CD1 4.36Å; W438-I469 HydrophobicContact CE3-CD1 4.13Å; K439-I469 HydrophobicContact CG-CD1 4.18Å; K439-I469 HydrophobicContact CG-CG1 4.45Å; I444-I469 HydrophobicContact CB-CD1 4.38Å; I444-I469 HydrophobicContact CG2-CD1 4.28Å; I444-I469 HydrophobicContact CG2-CG2 4.42Å; R445-I469 WeakPolarHBondContact O-CA 3.3Å; T447-I469 HydrophobicContact CG2-CG2 4.01Å; I465-I469 WeakPolarHBondContact CA-O 3.5Å; H466-I469 PolarHBondContact N-O 3.36Å; H466-I469 PolarHBondContact O-N 3.45Å; N467-I469 VanDerWaalsContact C-N 3.26Å; N467-I469 PolarHBondContact O-N 2.65Å
470M98.8Very high95.2Very high17 Ų1726.4 Ų26.48%0.08415%0.145CC..EExtended strand (participates in β ladder)trans-79.1120.7173.2-77.6-177.2-71.400110.2R445 V446 T447 I465 A558 H559 F562R445-M470 PolarHBondContact O-N 2.88Å; V446-M470 CarbonylContact C-O 3.46Å; V446-M470 VanDerWaalsContact CA-O 3.26Å; V446-M470 WeakPolarHBondContact CA-O 3.34Å; V446-M470 HydrophobicContact CG2-CB 4.21Å; V446-M470 HydrophobicContact CG2-CE 3.89Å; T447-M470 PolarHBondContact N-O 2.94Å; I465-M470 HydrophobicContact CD1-CG 3.72Å; I465-M470 HydrophobicContact CG1-CG 3.99Å; M470-A558 HydrophobicContact CB-CB 4.03Å; M470-A558 HydrophobicContact CE-CB 3.82Å; M470-A558 HydrophobicContact SD-CB 3.78Å; M470-H559 VanDerWaalsContact CE-CE1 3.49Å; M470-H559 WeakPolarHBondContact CE-CE1 3.11Å; M470-F562 HydrophobicContact CB-CD2 4.31Å; M470-F562 HydrophobicContact CB-CE2 3.67Å; M470-F562 HydrophobicContact CG-CD2 3.83Å; M470-F562 HydrophobicContact CG-CE2 3.62Å; M470-F562 HydrophobicContact SD-CD2 3.66Å; M470-F562 HydrophobicContact SD-CE2 4.03Å
471V98.6Very high94.9Very high0 Ų024.1 Ų24.10%014%0.143CC..EExtended strand (participates in β ladder)trans-104.2120.6178.5-173.80000109.2V427 Y435 T447 T449 G463 F464V427-V471 HydrophobicContact CG1-CG1 3.81Å; Y435-V471 HydrophobicContact CE1-CG2 4.35Å; Y435-V471 WeakPolarHBondContact OH-CG2 3.38Å; T447-V471 HydrophobicContact CG2-CB 4.26Å; T447-V471 HydrophobicContact CG2-CG1 4.12Å; T447-V471 HydrophobicContact CG2-CG2 3.76Å; T447-V471 WeakPolarHBondContact O-CA 3.39Å; T449-V471 HydrophobicContact CG2-CG1 3.68Å; G463-V471 CarbonylContact C-O 3.59Å; G463-V471 WeakPolarHBondContact CA-O 3Å; F464-V471 HydrophobicContact CD1-CB 3.83Å; F464-V471 HydrophobicContact CD1-CG1 4.06Å; F464-V471 HydrophobicContact CD1-CG2 4.33Å; F464-V471 HydrophobicContact CD2-CB 4.47Å; F464-V471 HydrophobicContact CD2-CG2 4.18Å; F464-V471 HydrophobicContact CE1-CB 3.65Å; F464-V471 HydrophobicContact CE1-CG1 3.52Å; F464-V471 HydrophobicContact CE1-CG2 3.93Å; F464-V471 HydrophobicContact CE2-CB 4.31Å; F464-V471 HydrophobicContact CE2-CG2 3.75Å; F464-V471 HydrophobicContact CG-CB 4.26Å; F464-V471 HydrophobicContact CG-CG2 4.47Å; F464-V471 HydrophobicContact CZ-CB 3.92Å; F464-V471 HydrophobicContact CZ-CG1 3.96Å; F464-V471 HydrophobicContact CZ-CG2 3.62Å; F464-V471 PolarHBondContact N-O 2.69Å; F464-V471 VanDerWaalsContact N-O 3.12Å; F464-V471 WeakPolarHBondContact O-CB 3.45Å; F464-V471 PolarHBondContact O-N 2.89Å
472L98.4Very high94.5Very high2 Ų229.5 Ų29.51%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-96.7144.6178.7-58.8180000112.2V446 T447 S448 T449 R474 V516 L557 A558 Y561 F562V446-L472 HydrophobicContact CG1-CD1 3.99Å; V446-L472 HydrophobicContact CG1-CG 4.14Å; T447-L472 PolarHBondContact O-N 2.98Å; S448-L472 VanDerWaalsContact CA-O 3.22Å; S448-L472 WeakPolarHBondContact CA-O 3.41Å; T449-L472 PolarHBondContact N-O 3.1Å; L472-R474 PolarHBondContact O-N 3.46Å; L472-V516 HydrophobicContact CD1-CG2 4.38Å; L472-L557 HydrophobicContact CD1-CD2 4.45Å; L472-L557 HydrophobicContact CD1-CG 4.43Å; L472-A558 HydrophobicContact CD1-CB 3.96Å; L472-A558 HydrophobicContact CD2-CB 3.91Å; L472-A558 HydrophobicContact CG-CB 4.15Å; L472-Y561 HydrophobicContact CD2-CD1 3.99Å; L472-Y561 HydrophobicContact CD2-CD2 4.24Å; L472-Y561 HydrophobicContact CD2-CG 3.68Å; L472-F562 HydrophobicContact CD2-CE2 4.2Å
473P97Very high94.2Very high6 Ų627.3 Ų27.34%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-71128.4172.531.1-34.4000110.2R461 Y561R461-P473 HydrophobicContact CB-CB 3.93Å; P473-Y561 HydrophobicContact CG-CE2 3.55Å; P473-Y561 WeakPolarHBondContact CG-OH 3.29Å
474R95.9Very high93.9Very high0 Ų028.1 Ų28.10%016%0.164CC..EExtended strand (participates in β ladder)trans-98.6148.2176.9-153.6171.7-173.8174.4-24.7111.1D308 D310 S448 T449 E450 R461 L472 V516 M518D308-R474 IonicContact OD2-CZ 2.99Å; D308-R474 IonicContact OD2-NE 3.48Å; D308-R474 IonicContact OD2-NH1 3.7Å; D308-R474 IonicContact OD2-NH2 3.45Å; D310-R474 IonicContact OD1-CZ 3.74Å; D310-R474 IonicContact OD1-NH1 2.7Å; D310-R474 PolarHBondContact OD1-NH1 3.39Å; D310-R474 IonicContact OD1-NH2 3.78Å; D310-R474 PolarHBondContact OD1-NH2 3.31Å; D310-R474 IonicContact OD2-CZ 2.75Å; D310-R474 IonicContact OD2-NH1 3.23Å; D310-R474 PolarHBondContact OD2-NH1 3.39Å; D310-R474 IonicContact OD2-NH2 2.83Å; D310-R474 PolarHBondContact OD2-NH2 3.27Å; D310-R474 VanDerWaalsContact OD2-NH2 3.11Å; S448-R474 WeakPolarHBondContact OG-CD 3.25Å; T449-R474 PolarHBondContact O-N 2.93Å; E450-R474 HydrophobicContact CB-CB 4.38Å; R461-R474 WeakPolarHBondContact CD-O 3.37Å; R461-R474 PolarHBondContact NH1-O 3.45Å; L472-R474 PolarHBondContact O-N 3.46Å; R474-V516 CarbonylContact C-O 3.52Å; R474-V516 WeakPolarHBondContact CA-O 3.35Å; R474-V516 HydrophobicContact CG-CB 4.19Å; R474-V516 HydrophobicContact CG-CG1 3.99Å; R474-V516 WeakPolarHBondContact CG-O 3.44Å; R474-M518 HydrophobicContact CG-CB 4.28Å
475Q95.4Very high93.7Very high7 Ų731.6 Ų31.63%0.03318%0.18CC..EExtended strand (participates in β ladder)trans-115.6146.8-176.6-50-52.2-1400111.6T508 V516 F517 M518Q475-T508 HydrophobicContact CB-CG2 4.07Å; Q475-T508 HydrophobicContact CG-CG2 3.97Å; Q475-V516 PolarHBondContact N-O 3.13Å; Q475-F517 HydrophobicContact CB-CD1 3.9Å; Q475-F517 HydrophobicContact CB-CE1 3.93Å; Q475-F517 WeakPolarHBondContact O-CA 3.3Å; Q475-M518 PolarHBondContact O-N 3.04Å
476T92.5Very high93.3Very high42 Ų4232.4 Ų32.426%0.25818%0.18SC..EExtended strand (participates in β ladder)trans-88.9141.6172.750.60000109.6E450E450-T476 WeakPolarHBondContact OE2-CG2 3.28Å
477C92.8Very high93Very high3 Ų339.6 Ų39.62%0.0221%0.211CC..  trans-110.411.9175.963.80000113.8L479 L505 F517 F534C477-L479 PolarHBondContact O-N 3.37Å; C477-L505 HydrophobicContact CB-CD1 3.88Å; C477-L505 HydrophobicContact CB-CD2 4.45Å; C477-F517 HydrophobicContact CB-CD1 3.88Å; C477-F517 HydrophobicContact CB-CE1 4.48Å; C477-F534 HydrophobicContact CB-CZ 4.21Å
478G90.3Very high92.8Very high20 Ų2043.1 Ų43.121%0.20623%0.226CC..SBendtrans74.68.4-177.100000114.3Y489G478-Y489 WeakPolarHBondContact O-CE2 3.39Å; G478-Y489 PolarHBondContact O-OH 2.86Å; G478-Y489 VanDerWaalsContact O-OH 3.04Å
479L92.5Very high92.6Very high6 Ų641.2 Ų41.23%0.03120%0.199CC..  trans-102.2122.1169.7-58.7177.5000108.8C477 T483 Y489 L496 T519 N523 L529 T533C477-L479 PolarHBondContact O-N 3.37Å; L479-T483 HydrophobicContact CD2-CG2 4.29Å; L479-Y489 HydrophobicContact CD2-CD2 4.49Å; L479-Y489 HydrophobicContact CD2-CE2 4.07Å; L479-L496 HydrophobicContact CD2-CD1 4.36Å; L479-T519 HydrophobicContact CD1-CG2 4.34Å; L479-N523 HydrophobicContact CD1-CB 4.47Å; L479-L529 HydrophobicContact CD2-CB 3.95Å; L479-L529 HydrophobicContact CD2-CD1 4.46Å; L479-T533 HydrophobicContact CD1-CG2 4.48Å
480F88.6Confident92.2Very high96 Ų9644.1 Ų44.142%0.42122%0.218SC..  trans-105.7166.8175.5-54.7-79.1000110.2H482 T483 P490 N523F480-H482 VanDerWaalsContact CB-CE1 3.44Å; F480-H482 WeakPolarHBondContact CB-CE1 3.22Å; F480-H482 AromaticContact CG-CE1 3.96Å; F480-H482 PolarHBondContact O-N 3.13Å; F480-T483 PolarHBondContact N-OG1 3.3Å; F480-T483 WeakPolarHBondContact O-CB 3.38Å; F480-T483 PolarHBondContact O-N 3.41Å; F480-P490 HydrophobicContact CD2-CG 4.43Å; F480-P490 HydrophobicContact CE2-CG 4.48Å; F480-N523 PolarHBondContact O-ND2 3.08Å
481T85.5Confident91.7Very high66 Ų6646.9 Ų46.941%0.40525%0.251SS..THydrogen-bonded Turntrans-54.6-28.2178.247.40000114.2H520 S522T481-H520 HydrophobicContact CG2-CB 4.06Å; T481-H520 WeakPolarHBondContact CG2-CD2 3.47Å; T481-H520 VanDerWaalsContact CG2-CG 3.42Å; T481-S522 PolarHBondContact O-OG 3.27Å
482H85.8Confident91.3Very high128 Ų12847.9 Ų47.959%0.59326%0.261SS*.THydrogen-bonded Turntrans-97.1-2.6178.661.9-82.7000113.4F480 I484F480-H482 VanDerWaalsContact CB-CE1 3.44Å; F480-H482 WeakPolarHBondContact CB-CE1 3.22Å; F480-H482 AromaticContact CG-CE1 3.96Å; F480-H482 PolarHBondContact O-N 3.13Å; H482-I484 PolarHBondContact O-N 3.28Å; H482-I484 VanDerWaalsContact O-N 3.15Å
483T88.1Confident90.9Very high2 Ų249.6 Ų49.61%0.01227%0.272CS..  trans-86.982.3177.2-48.10000108.8L479 F480 Y489 N523 L529L479-T483 HydrophobicContact CD2-CG2 4.29Å; F480-T483 PolarHBondContact N-OG1 3.3Å; F480-T483 WeakPolarHBondContact O-CB 3.38Å; F480-T483 PolarHBondContact O-N 3.41Å; T483-Y489 HydrophobicContact CG2-CD2 3.51Å; T483-Y489 HydrophobicContact CG2-CE2 4.04Å; T483-Y489 HydrophobicContact CG2-CG 4.43Å; T483-N523 PolarHBondContact O-ND2 3.16Å; T483-L529 HydrophobicContact CG2-CD1 3.94Å
484I90.4Very high90.6Very high17 Ų1756.8 Ų56.89%0.08731%0.305CS..  trans-104.3-44.1-173.3-59.8172.7000111T319 H482 N526 L529T319-I484 HydrophobicContact CG2-CD1 3.52Å; H482-I484 PolarHBondContact O-N 3.28Å; H482-I484 VanDerWaalsContact O-N 3.15Å; I484-N526 HydrophobicContact CG2-CB 3.66Å; I484-L529 WeakPolarHBondContact O-CG 3.45Å
485F93.3Very high90.5Very high74 Ų7460.7 Ų60.733%0.32532%0.324SS..SBendtrans-103.1139.1-176.4-59-72.9000112K487 E488 Y489 N526 D527F485-K487 VanDerWaalsContact C-N 3.27Å; F485-K487 PolarHBondContact O-N 2.99Å; F485-E488 HydrophobicContact CB-CB 4.32Å; F485-E488 HydrophobicContact CB-CG 4.11Å; F485-E488 WeakPolarHBondContact CD2-OE2 3.49Å; F485-E488 PolarHBondContact O-N 2.94Å; F485-Y489 PolarHBondContact O-N 3.38Å; F485-N526 HydrophobicContact CD1-CB 4.32Å; F485-N526 HydrophobicContact CE1-CB 3.73Å; F485-N526 HydrophobicContact CZ-CB 4.29Å; F485-D527 WeakPolarHBondContact CA-OD2 3.47Å
486Y90.2Very high90.5Very high65 Ų6560.3 Ų60.326%0.25532%0.322SS..G310 helixtrans-60.5-38.6-175.5-172.5-131.4000112.1E488 Y489 P493 L496 D497 D527 L529 Y532Y486-E488 PolarHBondContact O-N 2.9Å; Y486-Y489 WeakPolarHBondContact O-CB 3.37Å; Y486-Y489 PolarHBondContact O-N 3.4Å; Y486-P493 HydrophobicContact CD1-CB 3.68Å; Y486-P493 HydrophobicContact CD1-CG 4.24Å; Y486-P493 HydrophobicContact CD2-CB 3.94Å; Y486-P493 HydrophobicContact CE1-CB 3.29Å; Y486-P493 HydrophobicContact CE1-CG 4.2Å; Y486-P493 HydrophobicContact CE2-CB 3.54Å; Y486-P493 HydrophobicContact CG-CB 3.98Å; Y486-P493 WeakPolarHBondContact O-CG 3.37Å; Y486-P493 PolarHBondContact OH-O 3.04Å; Y486-L496 HydrophobicContact CD2-CD2 4.19Å; Y486-L496 HydrophobicContact CE2-CB 4.42Å; Y486-L496 HydrophobicContact CE2-CD2 4.02Å; Y486-D497 PolarHBondContact OH-OD2 2.94Å; Y486-D527 PolarHBondContact N-OD2 3.03Å; Y486-L529 HydrophobicContact CD2-CD2 3.96Å; Y486-L529 HydrophobicContact CG-CD2 4.32Å; Y486-Y532 HydrophobicContact CE2-CE1 4.43Å
487K91.3Very high90.5Very high159 Ų15960.2 Ų60.269%0.69132%0.32SS*.G310 helixtrans-67.9-22178.2-68.4-178179.6175.60113.7F485F485-K487 VanDerWaalsContact C-N 3.27Å; F485-K487 PolarHBondContact O-N 2.99Å
488E89.3Confident90.5Very high132 Ų13265.7 Ų65.762%0.61734%0.343SS*.G310 helixtrans-100.24.3-177-59.8-178.1172.200112.4F485 Y486F485-E488 HydrophobicContact CB-CB 4.32Å; F485-E488 HydrophobicContact CB-CG 4.11Å; F485-E488 WeakPolarHBondContact CD2-OE2 3.49Å; F485-E488 PolarHBondContact O-N 2.94Å; Y486-E488 PolarHBondContact O-N 2.9Å
489Y92.1Very high90.8Very high22 Ų2265.4 Ų65.49%0.08634%0.338CS..SBendtrans-53.7134.7175.4-171.2-93.4000110.6G478 L479 T483 F485 Y486 G491 G492 E495 L496G478-Y489 WeakPolarHBondContact O-CE2 3.39Å; G478-Y489 PolarHBondContact O-OH 2.86Å; G478-Y489 VanDerWaalsContact O-OH 3.04Å; L479-Y489 HydrophobicContact CD2-CD2 4.49Å; L479-Y489 HydrophobicContact CD2-CE2 4.07Å; T483-Y489 HydrophobicContact CG2-CD2 3.51Å; T483-Y489 HydrophobicContact CG2-CE2 4.04Å; T483-Y489 HydrophobicContact CG2-CG 4.43Å; F485-Y489 PolarHBondContact O-N 3.38Å; Y486-Y489 WeakPolarHBondContact O-CB 3.37Å; Y486-Y489 PolarHBondContact O-N 3.4Å; Y489-G491 PolarHBondContact O-N 3.19Å; Y489-G491 VanDerWaalsContact O-N 3.11Å; Y489-G492 WeakPolarHBondContact CD1-O 3.38Å; Y489-G492 WeakPolarHBondContact O-CA 3.32Å; Y489-G492 PolarHBondContact O-N 3.18Å; Y489-E495 HydrophobicContact CD1-CB 4.28Å; Y489-E495 HydrophobicContact CE1-CB 4.05Å; Y489-L496 HydrophobicContact CD1-CB 3.96Å; Y489-L496 HydrophobicContact CD2-CB 3.99Å; Y489-L496 HydrophobicContact CD2-CD1 4.45Å; Y489-L496 HydrophobicContact CD2-CD2 4.19Å; Y489-L496 HydrophobicContact CD2-CG 4.44Å; Y489-L496 HydrophobicContact CE1-CB 3.89Å; Y489-L496 HydrophobicContact CE2-CB 3.93Å; Y489-L496 HydrophobicContact CE2-CD1 3.79Å; Y489-L496 HydrophobicContact CE2-CD2 4.33Å; Y489-L496 HydrophobicContact CE2-CG 4.23Å; Y489-L496 HydrophobicContact CG-CB 4.01Å
490P89.1Confident91Very high63 Ų6365.2 Ų65.241%0.40934%0.337SS..THydrogen-bonded Turntrans-56.4118.2179.3-26.535.1000112.2F480 G492F480-P490 HydrophobicContact CD2-CG 4.43Å; F480-P490 HydrophobicContact CE2-CG 4.48Å; P490-G492 VanDerWaalsContact C-N 3.34Å
491G88.1Confident91.2Very high74 Ų7467.3 Ų67.376%0.76334%0.342SS*.THydrogen-bonded Turntrans87.3-0.6-174.700000114.9Y489Y489-G491 PolarHBondContact O-N 3.19Å; Y489-G491 VanDerWaalsContact O-N 3.11Å
492G90.4Very high91.4Very high21 Ų2164.3 Ų64.322%0.21633%0.325CS..  trans93.4166.4178.200000113.5Y489 P490 Q494 E495Y489-G492 WeakPolarHBondContact CD1-O 3.38Å; Y489-G492 WeakPolarHBondContact O-CA 3.32Å; Y489-G492 PolarHBondContact O-N 3.18Å; P490-G492 VanDerWaalsContact C-N 3.34Å; G492-Q494 VanDerWaalsContact C-N 3.26Å; G492-Q494 PolarHBondContact O-N 2.83Å; G492-E495 PolarHBondContact O-N 3.09Å
493P90.1Very high91.8Very high39 Ų3959 Ų5925%0.25331%0.305SS..Hα-helixtrans-59.1-33.8-172.1-11.514.1000114.7Y486 E495 L496 D497Y486-P493 HydrophobicContact CD1-CB 3.68Å; Y486-P493 HydrophobicContact CD1-CG 4.24Å; Y486-P493 HydrophobicContact CD2-CB 3.94Å; Y486-P493 HydrophobicContact CE1-CB 3.29Å; Y486-P493 HydrophobicContact CE1-CG 4.2Å; Y486-P493 HydrophobicContact CE2-CB 3.54Å; Y486-P493 HydrophobicContact CG-CB 3.98Å; Y486-P493 WeakPolarHBondContact O-CG 3.37Å; Y486-P493 PolarHBondContact OH-O 3.04Å; P493-E495 PolarHBondContact O-N 3.08Å; P493-L496 PolarHBondContact O-N 3.21Å; P493-L496 VanDerWaalsContact O-N 3.17Å; P493-D497 PolarHBondContact O-N 2.89Å
494Q91.8Very high92Very high157 Ų15765.2 Ų65.273%0.73433%0.334SS*.Hα-helixtrans-63.1-26.1178.6-66.9-179.7-5.800113.4G492 D497 K498G492-Q494 VanDerWaalsContact C-N 3.26Å; G492-Q494 PolarHBondContact O-N 2.83Å; Q494-D497 PolarHBondContact O-N 3.38Å; Q494-K498 VanDerWaalsContact O-CB 3.24Å; Q494-K498 WeakPolarHBondContact O-CB 3.25Å; Q494-K498 PolarHBondContact O-N 3.44Å
495E93.8Very high92.3Very high81 Ų8164.5 Ų64.538%0.37933%0.33SS..Hα-helixtrans-73.1-31.2177.8-71-62.1133.100111.9Y489 G492 P493 K498 S499Y489-E495 HydrophobicContact CD1-CB 4.28Å; Y489-E495 HydrophobicContact CE1-CB 4.05Å; G492-E495 PolarHBondContact O-N 3.09Å; P493-E495 PolarHBondContact O-N 3.08Å; E495-K498 IonicContact OE1-NZ 3.54Å; E495-K498 PolarHBondContact OE1-NZ 2.94Å; E495-K498 IonicContact OE2-NZ 3.54Å; E495-K498 PolarHBondContact OE2-NZ 3.4Å; E495-S499 WeakPolarHBondContact O-CB 3.32Å; E495-S499 PolarHBondContact O-N 2.87Å
496L94Very high92.5Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-64.3-48.7170.8179.856.2000110.4L479 Y486 Y489 P493 K498 S499 I500 Y532 T533L479-L496 HydrophobicContact CD2-CD1 4.36Å; Y486-L496 HydrophobicContact CD2-CD2 4.19Å; Y486-L496 HydrophobicContact CE2-CB 4.42Å; Y486-L496 HydrophobicContact CE2-CD2 4.02Å; Y489-L496 HydrophobicContact CD1-CB 3.96Å; Y489-L496 HydrophobicContact CD2-CB 3.99Å; Y489-L496 HydrophobicContact CD2-CD1 4.45Å; Y489-L496 HydrophobicContact CD2-CD2 4.19Å; Y489-L496 HydrophobicContact CD2-CG 4.44Å; Y489-L496 HydrophobicContact CE1-CB 3.89Å; Y489-L496 HydrophobicContact CE2-CB 3.93Å; Y489-L496 HydrophobicContact CE2-CD1 3.79Å; Y489-L496 HydrophobicContact CE2-CD2 4.33Å; Y489-L496 HydrophobicContact CE2-CG 4.23Å; Y489-L496 HydrophobicContact CG-CB 4.01Å; P493-L496 PolarHBondContact O-N 3.21Å; P493-L496 VanDerWaalsContact O-N 3.17Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 3.31Å; L496-S499 WeakPolarHBondContact O-CB 3.36Å; L496-S499 PolarHBondContact O-N 3.37Å; L496-S499 VanDerWaalsContact O-N 3.15Å; L496-I500 HydrophobicContact CD1-CD1 4.02Å; L496-I500 HydrophobicContact CD1-CG1 4.41Å; L496-I500 HydrophobicContact CG-CD1 3.94Å; L496-I500 WeakPolarHBondContact O-CG1 3.21Å; L496-I500 PolarHBondContact O-N 3.39Å; L496-Y532 HydrophobicContact CD2-CD1 4.12Å; L496-Y532 HydrophobicContact CD2-CE1 4.41Å; L496-T533 HydrophobicContact CD1-CG2 4.41Å
497D93.3Very high92.7Very high40 Ų4059.5 Ų59.521%0.21431%0.311CS..Hα-helixtrans-57.6-44.2177.1-80.7-23.4000112.3Y486 P493 Q494 I500 R501 Y532Y486-D497 PolarHBondContact OH-OD2 2.94Å; P493-D497 PolarHBondContact O-N 2.89Å; Q494-D497 PolarHBondContact O-N 3.38Å; D497-I500 PolarHBondContact O-N 3.36Å; D497-R501 VanDerWaalsContact O-CB 3.3Å; D497-R501 WeakPolarHBondContact O-CB 3.36Å; D497-R501 WeakPolarHBondContact O-CG 3.22Å; D497-R501 PolarHBondContact O-N 3.28Å; D497-Y532 PolarHBondContact OD1-OH 3.32Å
498K93.4Very high93Very high118 Ų11852.9 Ų52.951%0.51328%0.284SS..Hα-helixtrans-65.4-38.6177.2-179.6-179166.1-156.60112.1Q494 E495 L496 I500 R501 G503Q494-K498 VanDerWaalsContact O-CB 3.24Å; Q494-K498 WeakPolarHBondContact O-CB 3.25Å; Q494-K498 PolarHBondContact O-N 3.44Å; E495-K498 IonicContact OE1-NZ 3.54Å; E495-K498 PolarHBondContact OE1-NZ 2.94Å; E495-K498 IonicContact OE2-NZ 3.54Å; E495-K498 PolarHBondContact OE2-NZ 3.4Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 3.31Å; K498-I500 VanDerWaalsContact C-N 3.32Å; K498-I500 PolarHBondContact O-N 2.92Å; K498-R501 PolarHBondContact O-N 3.3Å; K498-G503 WeakPolarHBondContact O-CA 3.49Å; K498-G503 PolarHBondContact O-N 3.03Å
499S95.4Very high93.3Very high14 Ų1446.6 Ų46.610%0.09825%0.254CS..Hα-helixtrans-61.1-42174.3-172.30000111.6E495 L496 G503 L505 F506E495-S499 WeakPolarHBondContact O-CB 3.32Å; E495-S499 PolarHBondContact O-N 2.87Å; L496-S499 WeakPolarHBondContact O-CB 3.36Å; L496-S499 PolarHBondContact O-N 3.37Å; L496-S499 VanDerWaalsContact O-N 3.15Å; S499-G503 CarbonylContact O-C 3.57Å; S499-G503 VanDerWaalsContact O-C 3.26Å; S499-G503 WeakPolarHBondContact O-CA 3.23Å; S499-G503 PolarHBondContact O-N 3.12Å; S499-L505 PolarHBondContact O-N 2.93Å; S499-L505 WeakPolarHBondContact OG-CB 3.47Å; S499-L505 PolarHBondContact OG-N 3.47Å; S499-F506 PolarHBondContact O-N 2.92Å
500I96.3Very high93.5Very high1 Ų145.6 Ų45.61%0.00525%0.251CS..Hα-helixtrans-71-44.9178-64.9162000111.6L496 D497 K498 G502 L505 F506 Y532 T533 N536 L537L496-I500 HydrophobicContact CD1-CD1 4.02Å; L496-I500 HydrophobicContact CD1-CG1 4.41Å; L496-I500 HydrophobicContact CG-CD1 3.94Å; L496-I500 WeakPolarHBondContact O-CG1 3.21Å; L496-I500 PolarHBondContact O-N 3.39Å; D497-I500 PolarHBondContact O-N 3.36Å; K498-I500 VanDerWaalsContact C-N 3.32Å; K498-I500 PolarHBondContact O-N 2.92Å; I500-G502 PolarHBondContact O-N 3.47Å; I500-L505 HydrophobicContact CG1-CD2 4.1Å; I500-F506 WeakPolarHBondContact O-CB 3.43Å; I500-Y532 HydrophobicContact CD1-CD1 4.34Å; I500-Y532 HydrophobicContact CD1-CE1 4.11Å; I500-T533 HydrophobicContact CD1-CG2 4.2Å; I500-T533 HydrophobicContact CG1-CG2 4.2Å; I500-N536 HydrophobicContact CD1-CB 4.4Å; I500-N536 HydrophobicContact CG2-CB 3.95Å; I500-L537 HydrophobicContact CG2-CB 4.17Å
501R93Very high93.8Very high140 Ų14043.1 Ų43.153%0.52823%0.234SC..THydrogen-bonded Turntrans-96.375.8-172.7-61.7-178.3-177.9-156.60.8111.1D497 K498 G503 F540D497-R501 VanDerWaalsContact O-CB 3.3Å; D497-R501 WeakPolarHBondContact O-CB 3.36Å; D497-R501 WeakPolarHBondContact O-CG 3.22Å; D497-R501 PolarHBondContact O-N 3.28Å; K498-R501 PolarHBondContact O-N 3.3Å; R501-G503 VanDerWaalsContact C-N 3.35Å; R501-F540 HydrophobicContact CB-CD2 4.19Å; R501-F540 HydrophobicContact CB-CE2 3.94Å; R501-F540 HydrophobicContact CB-CZ 4.31Å; R501-F540 HydrophobicContact CG-CD2 4.01Å; R501-F540 HydrophobicContact CG-CE2 4.23Å
502G90.6Very high94.2Very high4 Ų441.2 Ų41.24%0.04121%0.206CC..THydrogen-bonded Turntrans88.2-2.9174.900000115.4W279 I500W279-G502 VanDerWaalsContact CB-O 3.25Å; W279-G502 WeakPolarHBondContact CB-O 3.48Å; I500-G502 PolarHBondContact O-N 3.47Å
503G93.9Very high94.4Very high17 Ų1741 Ų4118%0.17520%0.201CC..SBendtrans-88-153.7176.200000114.4K498 S499 R501 L505 F506 L507K498-G503 WeakPolarHBondContact O-CA 3.49Å; K498-G503 PolarHBondContact O-N 3.03Å; S499-G503 CarbonylContact O-C 3.57Å; S499-G503 VanDerWaalsContact O-C 3.26Å; S499-G503 WeakPolarHBondContact O-CA 3.23Å; S499-G503 PolarHBondContact O-N 3.12Å; R501-G503 VanDerWaalsContact C-N 3.35Å; G503-L505 PolarHBondContact O-N 3.49Å; G503-F506 PolarHBondContact O-N 2.84Å; G503-L507 WeakPolarHBondContact O-CB 3.37Å; G503-L507 VanDerWaalsContact O-CG 3.32Å; G503-L507 WeakPolarHBondContact O-CG 3.34Å; G503-L507 PolarHBondContact O-N 3.09Å
504E93.3Very high94.8Very high132 Ų13239.4 Ų39.462%0.61719%0.19SC*.Hα-helixtrans-61.4-43.7-168.4-172.6179.8-177.600113.6L507 T508E504-L507 PolarHBondContact O-N 3.26Å; E504-T508 PolarHBondContact O-N 3.26Å; E504-T508 PolarHBondContact O-OG1 3.45Å
505L96.1Very high95Very high2 Ų232 Ų321%0.0116%0.156CC..Hα-helixtrans-65.8-43179.518057.3000111.4C477 S499 I500 G503 T508 V509 F517 T533 L537C477-L505 HydrophobicContact CB-CD1 3.88Å; C477-L505 HydrophobicContact CB-CD2 4.45Å; S499-L505 PolarHBondContact O-N 2.93Å; S499-L505 WeakPolarHBondContact OG-CB 3.47Å; S499-L505 PolarHBondContact OG-N 3.47Å; I500-L505 HydrophobicContact CG1-CD2 4.1Å; G503-L505 PolarHBondContact O-N 3.49Å; L505-T508 WeakPolarHBondContact O-CB 3.42Å; L505-T508 PolarHBondContact O-N 3.39Å; L505-V509 PolarHBondContact O-N 3.39Å; L505-F517 HydrophobicContact CD1-CD1 4.08Å; L505-F517 HydrophobicContact CD1-CE1 3.36Å; L505-F517 HydrophobicContact CD1-CZ 3.67Å; L505-T533 HydrophobicContact CD2-CG2 3.37Å; L505-L537 HydrophobicContact CD1-CD2 4.05Å; L505-L537 HydrophobicContact CD2-CD1 4.49Å; L505-L537 HydrophobicContact CD2-CD2 3.94Å; L505-L537 HydrophobicContact CG-CD1 4.09Å; L505-L537 HydrophobicContact CG-CD2 3.73Å; L505-L537 HydrophobicContact CG-CG 4.47Å
506F97Very high95.2Very high1 Ų128.1 Ų28.10%0.00414%0.138CC..Hα-helixtrans-60.8-46.5172.5171.9-107000112.1W279 L283 S499 I500 G503 T508 V509 L510 L537 F540 V541 T545W279-F506 HydrophobicContact CE3-CE1 4.31Å; L283-F506 HydrophobicContact CD1-CE1 4.37Å; L283-F506 HydrophobicContact CD1-CZ 4.09Å; L283-F506 HydrophobicContact CD2-CE1 4.34Å; L283-F506 HydrophobicContact CD2-CZ 4.03Å; L283-F506 HydrophobicContact CG-CE1 4.22Å; L283-F506 HydrophobicContact CG-CZ 4.21Å; S499-F506 PolarHBondContact O-N 2.92Å; I500-F506 WeakPolarHBondContact O-CB 3.43Å; G503-F506 PolarHBondContact O-N 2.84Å; F506-T508 VanDerWaalsContact C-N 3.26Å; F506-T508 PolarHBondContact O-N 2.68Å; F506-V509 PolarHBondContact O-N 2.77Å; F506-V509 VanDerWaalsContact O-N 3.14Å; F506-L510 HydrophobicContact CE1-CD2 3.95Å; F506-L510 HydrophobicContact CZ-CD2 4.35Å; F506-L510 WeakPolarHBondContact O-CB 3.34Å; F506-L510 PolarHBondContact O-N 2.77Å; F506-L537 HydrophobicContact CB-CD1 4.42Å; F506-F540 HydrophobicContact CD1-CE1 4.29Å; F506-F540 AromaticContact CD2-CD1 3.68Å; F506-F540 HydrophobicContact CD2-CD1 3.68Å; F506-F540 AromaticContact CD2-CE1 3.7Å; F506-F540 HydrophobicContact CD2-CE1 3.7Å; F506-F540 HydrophobicContact CE1-CE1 4.42Å; F506-F540 HydrophobicContact CE2-CD1 4.03Å; F506-F540 AromaticContact CE2-CE1 3.87Å; F506-F540 HydrophobicContact CE2-CE1 3.87Å; F506-F540 HydrophobicContact CG-CD1 4.21Å; F506-F540 AromaticContact CG-CE1 3.91Å; F506-F540 HydrophobicContact CG-CE1 3.91Å; F506-F540 HydrophobicContact CZ-CE1 4.22Å; F506-V541 HydrophobicContact CD2-CG2 3.95Å; F506-V541 HydrophobicContact CE2-CG2 4.1Å; F506-T545 HydrophobicContact CE2-CG2 4.04Å; F506-T545 HydrophobicContact CZ-CG2 3.95Å
507L95.7Very high95.4Very high32 Ų3228.1 Ų28.117%0.16814%0.138CC..Hα-helixtrans-61.8-35.2178.5-73.2177.2000112.4K282 G503 E504 V509 L510 L511K282-L507 HydrophobicContact CB-CD2 4.27Å; K282-L507 HydrophobicContact CD-CD1 3.55Å; K282-L507 HydrophobicContact CD-CD2 3.62Å; K282-L507 HydrophobicContact CD-CG 4.16Å; G503-L507 WeakPolarHBondContact O-CB 3.37Å; G503-L507 VanDerWaalsContact O-CG 3.32Å; G503-L507 WeakPolarHBondContact O-CG 3.34Å; G503-L507 PolarHBondContact O-N 3.09Å; E504-L507 PolarHBondContact O-N 3.26Å; L507-V509 VanDerWaalsContact C-N 3.35Å; L507-V509 PolarHBondContact O-N 3.32Å; L507-L510 HydrophobicContact CD2-CD2 3.79Å; L507-L510 PolarHBondContact O-N 3.43Å; L507-L511 WeakPolarHBondContact O-CB 3.27Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 2.82Å
508T95.6Very high95.5Very high20 Ų2027.3 Ų27.312%0.12313%0.133CC..Hα-helixtrans-59.5-46.9174.4-60.40000110.6Q475 E504 L505 F506 N512 F517Q475-T508 HydrophobicContact CB-CG2 4.07Å; Q475-T508 HydrophobicContact CG-CG2 3.97Å; E504-T508 PolarHBondContact O-N 3.26Å; E504-T508 PolarHBondContact O-OG1 3.45Å; L505-T508 WeakPolarHBondContact O-CB 3.42Å; L505-T508 PolarHBondContact O-N 3.39Å; F506-T508 VanDerWaalsContact C-N 3.26Å; F506-T508 PolarHBondContact O-N 2.68Å; T508-N512 VanDerWaalsContact O-CB 3.26Å; T508-N512 WeakPolarHBondContact O-CB 3.42Å; T508-N512 PolarHBondContact O-N 3.44Å; T508-N512 VanDerWaalsContact O-N 3.07Å; T508-N512 PolarHBondContact O-ND2 2.86Å; T508-F517 HydrophobicContact CG2-CE1 3.93Å; T508-F517 HydrophobicContact CG2-CZ 4.06Å
509V96.8Very high95.7Very high0 Ų021.7 Ų21.70%011%0.108CC..Hα-helixtrans-68.5-37175.1176.30000111.8R303 I305 L505 F506 L507 F517 L537 V541 L549R303-V509 HydrophobicContact CB-CG1 4.28Å; R303-V509 WeakPolarHBondContact CD-O 3.41Å; R303-V509 HydrophobicContact CG-CG1 4.12Å; R303-V509 PolarHBondContact NE-O 3.3Å; I305-V509 HydrophobicContact CD1-CG1 4.07Å; I305-V509 HydrophobicContact CD1-CG2 3.95Å; L505-V509 PolarHBondContact O-N 3.39Å; F506-V509 PolarHBondContact O-N 2.77Å; F506-V509 VanDerWaalsContact O-N 3.14Å; L507-V509 VanDerWaalsContact C-N 3.35Å; L507-V509 PolarHBondContact O-N 3.32Å; V509-F517 HydrophobicContact CG2-CE2 4.13Å; V509-F517 HydrophobicContact CG2-CZ 3.86Å; V509-L537 HydrophobicContact CG2-CD2 3.97Å; V509-V541 HydrophobicContact CG1-CG2 4.3Å; V509-L549 HydrophobicContact CG1-CD2 3.86Å
510L96.2Very high95.8Very high2 Ų222 Ų221%0.0111%0.108CC..Hα-helixtrans-63.7-44.9-179.3178.458.9000112I204 L283 I286 R303 F506 L507 L547I204-L510 HydrophobicContact CD1-CD1 4.36Å; I204-L510 HydrophobicContact CG2-CD1 3.82Å; L283-L510 HydrophobicContact CD2-CD1 3.53Å; L283-L510 HydrophobicContact CD2-CD2 3.64Å; L283-L510 HydrophobicContact CD2-CG 4.24Å; L283-L510 HydrophobicContact CG-CD2 4.29Å; I286-L510 HydrophobicContact CD1-CD1 4.21Å; I286-L510 HydrophobicContact CD1-CD2 3.44Å; I286-L510 VanDerWaalsContact CD1-CD2 3.44Å; I286-L510 HydrophobicContact CD1-CG 3.71Å; R303-L510 PolarHBondContact NE-O 3.27Å; R303-L510 PolarHBondContact NH2-O 2.75Å; F506-L510 HydrophobicContact CE1-CD2 3.95Å; F506-L510 HydrophobicContact CZ-CD2 4.35Å; F506-L510 WeakPolarHBondContact O-CB 3.34Å; F506-L510 PolarHBondContact O-N 2.77Å; L507-L510 HydrophobicContact CD2-CD2 3.79Å; L507-L510 PolarHBondContact O-N 3.43Å; L510-L547 HydrophobicContact CD1-CD1 4.08Å
511L95.8Very high95.8Very high10 Ų1021.9 Ų21.95%0.05211%0.108CC..Hα-helixtrans-95-20-169.4-59.4172.8000113.7I98 I286 L299 L507I98-L511 HydrophobicContact CG1-CD1 4.4Å; I98-L511 HydrophobicContact CG2-CD2 4.04Å; I286-L511 HydrophobicContact CD1-CD2 3.58Å; I286-L511 HydrophobicContact CG1-CD2 4.35Å; L299-L511 VanDerWaalsContact CD1-O 3.26Å; L299-L511 WeakPolarHBondContact CD1-O 3.36Å; L507-L511 WeakPolarHBondContact O-CB 3.27Å; L507-L511 WeakPolarHBondContact O-CG 3.31Å; L507-L511 PolarHBondContact O-N 2.82Å
512N94.9Very high96Very high34 Ų3415.8 Ų15.818%0.1829%0.086CC..  trans-105.5120.6179-62.7-81.9000111.1R303 T508 I514R303-N512 WeakPolarHBondContact CD-O 3.43Å; T508-N512 VanDerWaalsContact O-CB 3.26Å; T508-N512 WeakPolarHBondContact O-CB 3.42Å; T508-N512 PolarHBondContact O-N 3.44Å; T508-N512 VanDerWaalsContact O-N 3.07Å; T508-N512 PolarHBondContact O-ND2 2.86Å; N512-I514 PolarHBondContact O-N 2.56Å
513P96.2Very high96.2Very high17 Ų1715.6 Ų15.611%0.119%0.085CC..SBendtrans-60.7-29.4173.5-27.136.9000114.1L299 Y304 L564 F565L299-P513 HydrophobicContact CD2-CG 4.24Å; Y304-P513 PolarHBondContact N-O 3.02Å; P513-L564 HydrophobicContact CB-CD1 4.08Å; P513-F565 HydrophobicContact CG-CZ 4.11Å
514I97.1Very high96.4Very high6 Ų614.8 Ų14.83%0.0318%0.076CC..EExtended strand (participates in β ladder)trans-132127.8179.2-66.9167.2000108.6Y304 N512 L557 K560 Y561 L564Y304-I514 HydrophobicContact CD2-CG1 3.99Å; Y304-I514 HydrophobicContact CG-CG1 4.33Å; Y304-I514 CarbonylContact O-C 3.57Å; Y304-I514 WeakPolarHBondContact O-CA 3.37Å; N512-I514 PolarHBondContact O-N 2.56Å; I514-L557 HydrophobicContact CD1-CD1 4.35Å; I514-L557 HydrophobicContact CG1-CD1 4.16Å; I514-L557 HydrophobicContact CG2-CD1 3.8Å; I514-L557 HydrophobicContact CG2-CD2 4.17Å; I514-L557 HydrophobicContact CG2-CG 3.99Å; I514-K560 HydrophobicContact CD1-CB 4.39Å; I514-K560 HydrophobicContact CD1-CG 4.32Å; I514-Y561 HydrophobicContact CB-CD2 4.24Å; I514-Y561 VanDerWaalsContact CD1-CA 3.41Å; I514-Y561 HydrophobicContact CD1-CD2 3.87Å; I514-Y561 HydrophobicContact CD1-CG 4.27Å; I514-Y561 HydrophobicContact CG2-CD2 4.28Å; I514-L564 HydrophobicContact CD1-CD1 3.9Å; I514-L564 HydrophobicContact CG1-CD1 4.36Å
515S97.2Very high96.4Very high1 Ų18.5 Ų8.51%0.0075%0.047CC..EExtended strand (participates in β ladder)trans-132.5117.1177.8-62.90000110.3Y304 I305 L306Y304-S515 PolarHBondContact O-N 2.79Å; I305-S515 WeakPolarHBondContact CA-O 3.28Å; L306-S515 PolarHBondContact N-O 2.83Å
516V98.2Very high96.3Very high0 Ų011.2 Ų11.20%06%0.061CC..EExtended strand (participates in β ladder)trans-98.8111.1167.7-1760000107.3L306 L472 R474 Q475 L557L306-V516 HydrophobicContact CB-CG1 4.4Å; L306-V516 HydrophobicContact CB-CG2 4.35Å; L306-V516 HydrophobicContact CD2-CG1 4.07Å; L306-V516 HydrophobicContact CD2-CG2 4.36Å; L306-V516 HydrophobicContact CG-CG1 4.4Å; L306-V516 CarbonylContact O-C 3.38Å; L306-V516 WeakPolarHBondContact O-CA 3.32Å; L472-V516 HydrophobicContact CD1-CG2 4.38Å; R474-V516 CarbonylContact C-O 3.52Å; R474-V516 WeakPolarHBondContact CA-O 3.35Å; R474-V516 HydrophobicContact CG-CB 4.19Å; R474-V516 HydrophobicContact CG-CG1 3.99Å; R474-V516 WeakPolarHBondContact CG-O 3.44Å; Q475-V516 PolarHBondContact N-O 3.13Å; V516-L557 HydrophobicContact CG2-CD2 3.96Å
517F98Very high96.3Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-91.5134.6-179.4-68.9-74.1000111.4I305 L306 D308 Q475 C477 L505 T508 V509 F534I305-F517 HydrophobicContact CG2-CD2 3.72Å; I305-F517 HydrophobicContact CG2-CE2 3.79Å; L306-F517 PolarHBondContact O-N 3.08Å; D308-F517 PolarHBondContact N-O 2.84Å; Q475-F517 HydrophobicContact CB-CD1 3.9Å; Q475-F517 HydrophobicContact CB-CE1 3.93Å; Q475-F517 WeakPolarHBondContact O-CA 3.3Å; C477-F517 HydrophobicContact CB-CD1 3.88Å; C477-F517 HydrophobicContact CB-CE1 4.48Å; L505-F517 HydrophobicContact CD1-CD1 4.08Å; L505-F517 HydrophobicContact CD1-CE1 3.36Å; L505-F517 HydrophobicContact CD1-CZ 3.67Å; T508-F517 HydrophobicContact CG2-CE1 3.93Å; T508-F517 HydrophobicContact CG2-CZ 4.06Å; V509-F517 HydrophobicContact CG2-CE2 4.13Å; V509-F517 HydrophobicContact CG2-CZ 3.86Å; F517-F534 HydrophobicContact CB-CE1 4.07Å; F517-F534 HydrophobicContact CB-CZ 3.71Å; F517-F534 AromaticContact CD2-CE1 3.7Å; F517-F534 HydrophobicContact CD2-CE1 3.7Å; F517-F534 HydrophobicContact CD2-CZ 4.24Å; F517-F534 HydrophobicContact CE2-CE1 4.26Å; F517-F534 AromaticContact CG-CE1 3.86Å; F517-F534 HydrophobicContact CG-CE1 3.86Å; F517-F534 AromaticContact CG-CZ 3.97Å; F517-F534 HydrophobicContact CG-CZ 3.97Å
518M95.1Very high96.3Very high22 Ų2217.1 Ų17.111%0.1089%0.087CC..EExtended strand (participates in β ladder)trans-89.3123171.5-175.9176.663.200111.2H424 R474 Q475H424-M518 PolarHBondContact NE2-SD 2.73Å; R474-M518 HydrophobicContact CG-CB 4.28Å; Q475-M518 PolarHBondContact O-N 3.04Å
519T97.3Very high96.4Very high0 Ų016.3 Ų16.30%08%0.082CC..EExtended strand (participates in β ladder)trans-134.1172.1165.954.90000109.9D308 D310 L479 Y524 F534D308-T519 PolarHBondContact O-N 2.79Å; D308-T519 PolarHBondContact O-OG1 3.11Å; D310-T519 PolarHBondContact N-O 3.49Å; L479-T519 HydrophobicContact CD1-CG2 4.34Å; T519-Y524 WeakPolarHBondContact OG1-CE2 3.45Å; T519-Y524 PolarHBondContact OG1-OH 3.44Å; T519-F534 HydrophobicContact CG2-CE2 3.76Å; T519-F534 HydrophobicContact CG2-CZ 4.23Å
520H97.5Very high96.4Very high20 Ų2016.3 Ų16.39%0.0938%0.082CC..EExtended strand (participates in β ladder)trans-131.9157.8-178.2-51.678.4000110.1D310 D311 T481 S522 N523 Y524D310-H520 CarbonylContact O-C 3.58Å; D310-H520 WeakPolarHBondContact O-CA 3.35Å; D311-H520 HydrophobicContact CB-CB 4.42Å; D311-H520 IonicContact OD2-CD2 3.95Å; D311-H520 PolarHBondContact OD2-CD2 2.9Å; T481-H520 HydrophobicContact CG2-CB 4.06Å; T481-H520 WeakPolarHBondContact CG2-CD2 3.47Å; T481-H520 VanDerWaalsContact CG2-CG 3.42Å; H520-S522 PolarHBondContact O-N 2.86Å; H520-S522 VanDerWaalsContact O-N 3.09Å; H520-N523 PolarHBondContact N-OD1 3.19Å; H520-N523 WeakPolarHBondContact O-CB 3.23Å; H520-N523 PolarHBondContact O-N 3.28Å; H520-N523 PolarHBondContact O-OD1 2.92Å; H520-Y524 VanDerWaalsContact O-CD2 3.32Å; H520-Y524 WeakPolarHBondContact O-CD2 3.44Å
521L97.2Very high96.5Very high0 Ų016.6 Ų16.60%08%0.084CC..G310 helixtrans-45.4-42.7178.3173143.7000113.4D310 D311 I312 R320 M321 N523 Y524 G525D310-L521 PolarHBondContact O-N 3.07Å; D311-L521 VanDerWaalsContact O-CB 3.23Å; D311-L521 WeakPolarHBondContact O-CB 3.27Å; I312-L521 HydrophobicContact CD1-CB 4.28Å; I312-L521 HydrophobicContact CD1-CD1 4.14Å; R320-L521 HydrophobicContact CB-CD2 4.03Å; R320-L521 HydrophobicContact CG-CD2 4.31Å; M321-L521 HydrophobicContact CE-CD1 3.88Å; M321-L521 HydrophobicContact CE-CG 3.87Å; L521-N523 PolarHBondContact O-N 3.15Å; L521-N523 VanDerWaalsContact O-N 3.15Å; L521-Y524 PolarHBondContact O-N 3.48Å; L521-G525 PolarHBondContact O-N 3.18Å
522S95.4Very high96.6Very high12 Ų1219.7 Ų19.78%0.08410%0.095CC..G310 helixtrans-62.8-21.8-179.362.40000114.2T481 H520 Y524T481-S522 PolarHBondContact O-OG 3.27Å; H520-S522 PolarHBondContact O-N 2.86Å; H520-S522 VanDerWaalsContact O-N 3.09Å; S522-Y524 PolarHBondContact O-N 3.03Å
523N96.7Very high96.7Very high0 Ų018.1 Ų18.10%09%0.087CC..G310 helixtrans-74.4-11.7175.5-56138.1000112.9L479 F480 T483 H520 L521 R528 L529 G530L479-N523 HydrophobicContact CD1-CB 4.47Å; F480-N523 PolarHBondContact O-ND2 3.08Å; T483-N523 PolarHBondContact O-ND2 3.16Å; H520-N523 PolarHBondContact N-OD1 3.19Å; H520-N523 WeakPolarHBondContact O-CB 3.23Å; H520-N523 PolarHBondContact O-N 3.28Å; H520-N523 PolarHBondContact O-OD1 2.92Å; L521-N523 PolarHBondContact O-N 3.15Å; L521-N523 VanDerWaalsContact O-N 3.15Å; N523-R528 CarbonylContact O-C 3.56Å; N523-L529 PolarHBondContact O-N 2.65Å; N523-G530 PolarHBondContact O-N 3.01Å
524Y97.6Very high96.8Very high0 Ų017.7 Ų17.70%08%0.083CC..THydrogen-bonded Turntrans-111-9.3-177.9-61.9-92.9000112.8V307 I309 M321 L329 F345 T519 H520 L521 S522 R528 L531V307-Y524 WeakPolarHBondContact CG1-OH 3.26Å; I309-Y524 HydrophobicContact CB-CE2 4.13Å; I309-Y524 HydrophobicContact CD1-CD1 4.13Å; I309-Y524 HydrophobicContact CD1-CD2 3.94Å; I309-Y524 HydrophobicContact CD1-CE1 3.75Å; I309-Y524 HydrophobicContact CD1-CE2 3.57Å; I309-Y524 HydrophobicContact CD1-CG 4.22Å; I309-Y524 VanDerWaalsContact CD1-CZ 3.45Å; I309-Y524 HydrophobicContact CG1-CD2 4.25Å; I309-Y524 HydrophobicContact CG1-CE1 4.4Å; I309-Y524 HydrophobicContact CG1-CE2 3.53Å; I309-Y524 HydrophobicContact CG2-CD2 3.72Å; I309-Y524 HydrophobicContact CG2-CE2 3.65Å; M321-Y524 VanDerWaalsContact SD-CB 3.55Å; L329-Y524 HydrophobicContact CD1-CD1 3.76Å; L329-Y524 HydrophobicContact CD1-CE1 4.02Å; F345-Y524 AromaticContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CE1-CE1 3.99Å; F345-Y524 HydrophobicContact CZ-CE1 4.22Å; T519-Y524 WeakPolarHBondContact OG1-CE2 3.45Å; T519-Y524 PolarHBondContact OG1-OH 3.44Å; H520-Y524 VanDerWaalsContact O-CD2 3.32Å; H520-Y524 WeakPolarHBondContact O-CD2 3.44Å; L521-Y524 PolarHBondContact O-N 3.48Å; S522-Y524 PolarHBondContact O-N 3.03Å; Y524-R528 WeakPolarHBondContact O-CG 3.48Å; Y524-L531 HydrophobicContact CD1-CD2 3.49Å; Y524-L531 VanDerWaalsContact CD1-CD2 3.49Å; Y524-L531 HydrophobicContact CD1-CG 3.84Å; Y524-L531 HydrophobicContact CE1-CD2 3.69Å; Y524-L531 HydrophobicContact CE1-CG 4.34Å
525G93.8Very high96.8Very high0 Ų017.9 Ų17.90%09%0.086CC..SBendtrans-82.8172.8164.800000112.2L521 D527 R528L521-G525 PolarHBondContact O-N 3.18Å; G525-D527 PolarHBondContact O-N 2.92Å; G525-D527 VanDerWaalsContact O-N 3.15Å; G525-R528 PolarHBondContact O-N 2.72Å
526N94Very high96.9Very high59 Ų5919.7 Ų19.732%0.31610%0.095SC..THydrogen-bonded Turntrans54.2-113173.7-64.6-77.7000113.5G318 I484 F485 R528G318-N526 PolarHBondContact O-ND2 3.28Å; G318-N526 VanDerWaalsContact O-ND2 3.09Å; I484-N526 HydrophobicContact CG2-CB 3.66Å; F485-N526 HydrophobicContact CD1-CB 4.32Å; F485-N526 HydrophobicContact CE1-CB 3.73Å; F485-N526 HydrophobicContact CZ-CB 4.29Å; N526-R528 PolarHBondContact O-N 3.11Å
527D95.6Very high96.9Very high79 Ų7919.9 Ų19.942%0.42210%0.096SC..THydrogen-bonded Turntrans-75.4-4.3-178.7-74.30.6000113.2F485 Y486 G525 L529F485-D527 WeakPolarHBondContact CA-OD2 3.47Å; Y486-D527 PolarHBondContact N-OD2 3.03Å; G525-D527 PolarHBondContact O-N 2.92Å; G525-D527 VanDerWaalsContact O-N 3.15Å; D527-L529 VanDerWaalsContact C-N 3.33Å; D527-L529 HydrophobicContact CB-CD2 3.96Å; D527-L529 HydrophobicContact CB-CG 4.35Å; D527-L529 PolarHBondContact O-N 2.81Å
528R96.8Very high96.9Very high77 Ų7720 Ų2029%0.29110%0.097SC..  trans55.543.4173.7-58.4161-172.6177.61.8113.4N324 D325 A328 N523 Y524 G525 N526 G530 L531 Y532N324-R528 VanDerWaalsContact C-NH2 3.28Å; N324-R528 PolarHBondContact O-NH2 3.11Å; D325-R528 IonicContact OD1-CZ 3.25Å; D325-R528 VanDerWaalsContact OD1-CZ 3.22Å; D325-R528 IonicContact OD1-NE 3.85Å; D325-R528 PolarHBondContact OD1-NE 3.1Å; D325-R528 IonicContact OD1-NH2 2.78Å; D325-R528 PolarHBondContact OD1-NH2 3.47Å; A328-R528 VanDerWaalsContact CB-NH1 3.34Å; N523-R528 CarbonylContact O-C 3.56Å; Y524-R528 WeakPolarHBondContact O-CG 3.48Å; G525-R528 PolarHBondContact O-N 2.72Å; N526-R528 PolarHBondContact O-N 3.11Å; R528-G530 PolarHBondContact O-N 2.77Å; R528-G530 VanDerWaalsContact O-N 3.15Å; R528-L531 HydrophobicContact CB-CB 4.24Å; R528-L531 HydrophobicContact CB-CD1 3.95Å; R528-L531 HydrophobicContact CB-CG 4.14Å; R528-L531 HydrophobicContact CG-CD1 4.2Å; R528-L531 WeakPolarHBondContact O-CB 3.45Å; R528-L531 PolarHBondContact O-N 2.81Å; R528-Y532 PolarHBondContact O-N 2.97Å; R528-Y532 VanDerWaalsContact O-N 3.08Å
529L96.7Very high96.9Very high3 Ų322.3 Ų22.32%0.01611%0.11CC..Hα-helixtrans-57.9-31.6-175.5-59.3-174000113.5L479 T483 I484 Y486 N523 D527 T533L479-L529 HydrophobicContact CD2-CB 3.95Å; L479-L529 HydrophobicContact CD2-CD1 4.46Å; T483-L529 HydrophobicContact CG2-CD1 3.94Å; I484-L529 WeakPolarHBondContact O-CG 3.45Å; Y486-L529 HydrophobicContact CD2-CD2 3.96Å; Y486-L529 HydrophobicContact CG-CD2 4.32Å; N523-L529 PolarHBondContact O-N 2.65Å; D527-L529 VanDerWaalsContact C-N 3.33Å; D527-L529 HydrophobicContact CB-CD2 3.96Å; D527-L529 HydrophobicContact CB-CG 4.35Å; D527-L529 PolarHBondContact O-N 2.81Å; L529-T533 VanDerWaalsContact O-CB 3.23Å; L529-T533 WeakPolarHBondContact O-CB 3.4Å; L529-T533 PolarHBondContact O-N 3.21Å; L529-T533 PolarHBondContact O-OG1 2.88Å
530G97.4Very high96.9Very high0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-59.5-48.3173.200000112.2N523 R528 T533 F534N523-G530 PolarHBondContact O-N 3.01Å; R528-G530 PolarHBondContact O-N 2.77Å; R528-G530 VanDerWaalsContact O-N 3.15Å; G530-T533 PolarHBondContact O-N 3.35Å; G530-F534 VanDerWaalsContact O-CD2 3.29Å; G530-F534 WeakPolarHBondContact O-CD2 3.41Å; G530-F534 PolarHBondContact O-N 3.09Å
531L98.1Very high96.8Very high9 Ų922.3 Ų22.35%0.04711%0.11CC..Hα-helixtrans-62.7-48.3177.9-57-173.9000111.2A328 L329 T332 F345 Y524 R528 T533 A535A328-L531 HydrophobicContact CB-CD1 3.83Å; L329-L531 HydrophobicContact CD1-CD2 3.68Å; T332-L531 HydrophobicContact CG2-CB 4.11Å; T332-L531 HydrophobicContact CG2-CD2 3.97Å; F345-L531 HydrophobicContact CE2-CD2 4.35Å; F345-L531 HydrophobicContact CZ-CD2 4.1Å; Y524-L531 HydrophobicContact CD1-CD2 3.49Å; Y524-L531 VanDerWaalsContact CD1-CD2 3.49Å; Y524-L531 HydrophobicContact CD1-CG 3.84Å; Y524-L531 HydrophobicContact CE1-CD2 3.69Å; Y524-L531 HydrophobicContact CE1-CG 4.34Å; R528-L531 HydrophobicContact CB-CB 4.24Å; R528-L531 HydrophobicContact CB-CD1 3.95Å; R528-L531 HydrophobicContact CB-CG 4.14Å; R528-L531 HydrophobicContact CG-CD1 4.2Å; R528-L531 WeakPolarHBondContact O-CB 3.45Å; R528-L531 PolarHBondContact O-N 2.81Å; L531-T533 VanDerWaalsContact C-N 3.31Å; L531-T533 PolarHBondContact O-N 2.93Å; L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.49Å; L531-A535 PolarHBondContact O-N 3.15Å; L531-A535 VanDerWaalsContact O-N 3.12Å
532Y97.2Very high96.7Very high75 Ų7527.3 Ų27.329%0.29413%0.132SC..Hα-helixtrans-54.9-48.4176.5-179.9-94.9000111.5Y486 L496 D497 I500 R528 N536Y486-Y532 HydrophobicContact CE2-CE1 4.43Å; L496-Y532 HydrophobicContact CD2-CD1 4.12Å; L496-Y532 HydrophobicContact CD2-CE1 4.41Å; D497-Y532 PolarHBondContact OD1-OH 3.32Å; I500-Y532 HydrophobicContact CD1-CD1 4.34Å; I500-Y532 HydrophobicContact CD1-CE1 4.11Å; R528-Y532 PolarHBondContact O-N 2.97Å; R528-Y532 VanDerWaalsContact O-N 3.08Å; Y532-N536 WeakPolarHBondContact CD2-ND2 3.49Å; Y532-N536 VanDerWaalsContact CE2-ND2 3.3Å; Y532-N536 WeakPolarHBondContact CE2-ND2 3.48Å; Y532-N536 WeakPolarHBondContact O-CB 3.32Å; Y532-N536 PolarHBondContact O-N 3.09Å; Y532-N536 VanDerWaalsContact O-N 3.1Å; Y532-N536 PolarHBondContact O-ND2 3.01Å
533T97.5Very high96.6Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-62.6-52.9-173.8-62.60000111.9L479 L496 I500 L505 L529 G530 L531 L537L479-T533 HydrophobicContact CD1-CG2 4.48Å; L496-T533 HydrophobicContact CD1-CG2 4.41Å; I500-T533 HydrophobicContact CD1-CG2 4.2Å; I500-T533 HydrophobicContact CG1-CG2 4.2Å; L505-T533 HydrophobicContact CD2-CG2 3.37Å; L529-T533 VanDerWaalsContact O-CB 3.23Å; L529-T533 WeakPolarHBondContact O-CB 3.4Å; L529-T533 PolarHBondContact O-N 3.21Å; L529-T533 PolarHBondContact O-OG1 2.88Å; G530-T533 PolarHBondContact O-N 3.35Å; L531-T533 VanDerWaalsContact C-N 3.31Å; L531-T533 PolarHBondContact O-N 2.93Å; T533-L537 VanDerWaalsContact O-CB 3.25Å; T533-L537 WeakPolarHBondContact O-CB 3.41Å; T533-L537 PolarHBondContact O-N 3.28Å
534F98.3Very high96.4Very high8 Ų830.2 Ų30.24%0.03515%0.152CC..Hα-helixtrans-76-33.5-174.4-69.7-68.1000113.2V307 L336 C477 F517 T519 G530 L537 A538V307-F534 HydrophobicContact CB-CE2 4.43Å; V307-F534 HydrophobicContact CG1-CD2 3.96Å; V307-F534 HydrophobicContact CG1-CE2 3.48Å; V307-F534 VanDerWaalsContact CG1-CE2 3.48Å; V307-F534 HydrophobicContact CG1-CZ 3.88Å; V307-F534 HydrophobicContact CG2-CD1 3.92Å; V307-F534 HydrophobicContact CG2-CD2 4.15Å; V307-F534 HydrophobicContact CG2-CE1 3.79Å; V307-F534 HydrophobicContact CG2-CE2 4.01Å; V307-F534 HydrophobicContact CG2-CG 4.12Å; V307-F534 HydrophobicContact CG2-CZ 3.84Å; L336-F534 HydrophobicContact CD1-CB 4.33Å; C477-F534 HydrophobicContact CB-CZ 4.21Å; F517-F534 HydrophobicContact CB-CE1 4.07Å; F517-F534 HydrophobicContact CB-CZ 3.71Å; F517-F534 AromaticContact CD2-CE1 3.7Å; F517-F534 HydrophobicContact CD2-CE1 3.7Å; F517-F534 HydrophobicContact CD2-CZ 4.24Å; F517-F534 HydrophobicContact CE2-CE1 4.26Å; F517-F534 AromaticContact CG-CE1 3.86Å; F517-F534 HydrophobicContact CG-CE1 3.86Å; F517-F534 AromaticContact CG-CZ 3.97Å; F517-F534 HydrophobicContact CG-CZ 3.97Å; T519-F534 HydrophobicContact CG2-CE2 3.76Å; T519-F534 HydrophobicContact CG2-CZ 4.23Å; G530-F534 VanDerWaalsContact O-CD2 3.29Å; G530-F534 WeakPolarHBondContact O-CD2 3.41Å; G530-F534 PolarHBondContact O-N 3.09Å; F534-L537 HydrophobicContact CD1-CD2 4.22Å; F534-L537 PolarHBondContact O-N 3.44Å; F534-A538 WeakPolarHBondContact O-CB 3.19Å; F534-A538 PolarHBondContact O-N 3.17Å
535A98.1Very high96.4Very high11 Ų1130.4 Ų30.49%0.09115%0.153CC..Hα-helixtrans-63.1-46.2173.500000111.2T332 L335 L531 N539T332-A535 HydrophobicContact CG2-CB 4.39Å; L335-A535 HydrophobicContact CD2-CB 4.49Å; L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.49Å; L531-A535 PolarHBondContact O-N 3.15Å; L531-A535 VanDerWaalsContact O-N 3.12Å; A535-N539 WeakPolarHBondContact O-CB 3.42Å; A535-N539 VanDerWaalsContact O-CG 3.31Å; A535-N539 PolarHBondContact O-N 2.83Å; A535-N539 PolarHBondContact O-ND2 3.5Å; A535-N539 VanDerWaalsContact O-ND2 3.15Å
536N97.8Very high96.5Very high39 Ų3933.6 Ų33.621%0.20917%0.17CC..Hα-helixtrans-69.2-35.9177.7-76.5-76.4000112.5I500 Y532 F540I500-N536 HydrophobicContact CD1-CB 4.4Å; I500-N536 HydrophobicContact CG2-CB 3.95Å; Y532-N536 WeakPolarHBondContact CD2-ND2 3.49Å; Y532-N536 VanDerWaalsContact CE2-ND2 3.3Å; Y532-N536 WeakPolarHBondContact CE2-ND2 3.48Å; Y532-N536 WeakPolarHBondContact O-CB 3.32Å; Y532-N536 PolarHBondContact O-N 3.09Å; Y532-N536 VanDerWaalsContact O-N 3.1Å; Y532-N536 PolarHBondContact O-ND2 3.01Å; N536-F540 VanDerWaalsContact O-CB 3.28Å; N536-F540 WeakPolarHBondContact O-CB 3.46Å; N536-F540 PolarHBondContact O-N 3.43Å
537L98.1Very high96.7Very high3 Ų331.4 Ų31.42%0.01616%0.158CC..Hα-helixtrans-63.3-48.8174.5-179.966.2000111.9I500 L505 F506 V509 T533 F534 N539 F540 V541I500-L537 HydrophobicContact CG2-CB 4.17Å; L505-L537 HydrophobicContact CD1-CD2 4.05Å; L505-L537 HydrophobicContact CD2-CD1 4.49Å; L505-L537 HydrophobicContact CD2-CD2 3.94Å; L505-L537 HydrophobicContact CG-CD1 4.09Å; L505-L537 HydrophobicContact CG-CD2 3.73Å; L505-L537 HydrophobicContact CG-CG 4.47Å; F506-L537 HydrophobicContact CB-CD1 4.42Å; V509-L537 HydrophobicContact CG2-CD2 3.97Å; T533-L537 VanDerWaalsContact O-CB 3.25Å; T533-L537 WeakPolarHBondContact O-CB 3.41Å; T533-L537 PolarHBondContact O-N 3.28Å; F534-L537 HydrophobicContact CD1-CD2 4.22Å; F534-L537 PolarHBondContact O-N 3.44Å; L537-N539 VanDerWaalsContact C-N 3.35Å; L537-N539 PolarHBondContact O-N 2.78Å; L537-F540 PolarHBondContact O-N 3.12Å; L537-V541 HydrophobicContact CD1-CG2 4.23Å; L537-V541 HydrophobicContact CG-CG2 4.48Å; L537-V541 WeakPolarHBondContact O-CG2 3.34Å; L537-V541 PolarHBondContact O-N 3.4Å
538A98.1Very high96.8Very high3 Ų333.7 Ų33.73%0.02516%0.161CC..Hα-helixtrans-61.9-4417900000111.3L336 Q339 V340 F534 F540 V541 K542 L549L336-A538 HydrophobicContact CD2-CB 3.8Å; Q339-A538 HydrophobicContact CB-CB 4.21Å; Q339-A538 VanDerWaalsContact OE1-CB 3.25Å; V340-A538 HydrophobicContact CG2-CB 4.05Å; F534-A538 WeakPolarHBondContact O-CB 3.19Å; F534-A538 PolarHBondContact O-N 3.17Å; A538-F540 PolarHBondContact O-N 2.84Å; A538-V541 PolarHBondContact O-N 3.19Å; A538-K542 VanDerWaalsContact O-CB 3.29Å; A538-K542 WeakPolarHBondContact O-CB 3.46Å; A538-K542 PolarHBondContact O-N 2.73Å; A538-L549 HydrophobicContact CB-CD1 4.13Å
539N97.1Very high96.9Very high70 Ų7030.7 Ų30.737%0.37415%0.151SC..Hα-helixtrans-57.1-49.2173-83-34.8000111.8Q339 A535 L537 K542 S543Q339-N539 VanDerWaalsContact CD-OD1 3.29Å; Q339-N539 PolarHBondContact NE2-OD1 2.85Å; Q339-N539 PolarHBondContact OE1-OD1 3.4Å; A535-N539 WeakPolarHBondContact O-CB 3.42Å; A535-N539 VanDerWaalsContact O-CG 3.31Å; A535-N539 PolarHBondContact O-N 2.83Å; A535-N539 PolarHBondContact O-ND2 3.5Å; A535-N539 VanDerWaalsContact O-ND2 3.15Å; L537-N539 VanDerWaalsContact C-N 3.35Å; L537-N539 PolarHBondContact O-N 2.78Å; N539-K542 PolarHBondContact O-N 2.98Å; N539-S543 WeakPolarHBondContact O-CB 3.44Å; N539-S543 PolarHBondContact O-N 3.01Å; N539-S543 PolarHBondContact O-OG 3.3Å; N539-S543 VanDerWaalsContact O-OG 3.08Å
540F95.9Very high97Very high20 Ų2035 Ų359%0.08817%0.167CC..Hα-helixtrans-62.4-50.3179.5-174-101.3000110.6R209 W279 R501 F506 N536 L537 A538 K542 S543 S544R209-F540 VanDerWaalsContact NH2-CE2 3.29Å; W279-F540 HydrophobicContact CD2-CZ 4.37Å; W279-F540 HydrophobicContact CE3-CZ 4.18Å; W279-F540 HydrophobicContact CH2-CZ 4.29Å; W279-F540 HydrophobicContact CZ2-CZ 4.36Å; W279-F540 HydrophobicContact CZ3-CZ 4.09Å; R501-F540 HydrophobicContact CB-CD2 4.19Å; R501-F540 HydrophobicContact CB-CE2 3.94Å; R501-F540 HydrophobicContact CB-CZ 4.31Å; R501-F540 HydrophobicContact CG-CD2 4.01Å; R501-F540 HydrophobicContact CG-CE2 4.23Å; F506-F540 HydrophobicContact CD1-CE1 4.29Å; F506-F540 AromaticContact CD2-CD1 3.68Å; F506-F540 HydrophobicContact CD2-CD1 3.68Å; F506-F540 AromaticContact CD2-CE1 3.7Å; F506-F540 HydrophobicContact CD2-CE1 3.7Å; F506-F540 HydrophobicContact CE1-CE1 4.42Å; F506-F540 HydrophobicContact CE2-CD1 4.03Å; F506-F540 AromaticContact CE2-CE1 3.87Å; F506-F540 HydrophobicContact CE2-CE1 3.87Å; F506-F540 HydrophobicContact CG-CD1 4.21Å; F506-F540 AromaticContact CG-CE1 3.91Å; F506-F540 HydrophobicContact CG-CE1 3.91Å; F506-F540 HydrophobicContact CZ-CE1 4.22Å; N536-F540 VanDerWaalsContact O-CB 3.28Å; N536-F540 WeakPolarHBondContact O-CB 3.46Å; N536-F540 PolarHBondContact O-N 3.43Å; L537-F540 PolarHBondContact O-N 3.12Å; A538-F540 PolarHBondContact O-N 2.84Å; F540-K542 VanDerWaalsContact C-N 3.32Å; F540-K542 PolarHBondContact O-N 3.11Å; F540-S543 PolarHBondContact O-N 3.42Å; F540-S543 PolarHBondContact O-OG 2.64Å; F540-S544 WeakPolarHBondContact CD2-OG 3.3Å; F540-S544 WeakPolarHBondContact CE2-OG 3.31Å; F540-S544 WeakPolarHBondContact CZ-OG 3.26Å; F540-S544 WeakPolarHBondContact O-CB 3.04Å; F540-S544 PolarHBondContact O-N 3.06Å; F540-S544 PolarHBondContact O-OG 3.42Å
541V96.6Very high97Very high0 Ų035.1 Ų35.10%017%0.167CC..Hα-helixtrans-57.4-44.9179.3172.50000111.5F506 V509 L537 A538 S544 T545 L547 L549F506-V541 HydrophobicContact CD2-CG2 3.95Å; F506-V541 HydrophobicContact CE2-CG2 4.1Å; V509-V541 HydrophobicContact CG1-CG2 4.3Å; L537-V541 HydrophobicContact CD1-CG2 4.23Å; L537-V541 HydrophobicContact CG-CG2 4.48Å; L537-V541 WeakPolarHBondContact O-CG2 3.34Å; L537-V541 PolarHBondContact O-N 3.4Å; A538-V541 PolarHBondContact O-N 3.19Å; V541-S544 PolarHBondContact O-N 3.32Å; V541-T545 PolarHBondContact O-N 3.04Å; V541-T545 PolarHBondContact O-OG1 3.19Å; V541-L547 HydrophobicContact CG1-CB 3.92Å; V541-L547 HydrophobicContact CG1-CD1 4.31Å; V541-L549 HydrophobicContact CB-CD1 4.11Å; V541-L549 HydrophobicContact CG1-CD1 4.09Å; V541-L549 HydrophobicContact CG1-CD2 3.88Å; V541-L549 HydrophobicContact CG1-CG 3.99Å
542K94.9Very high97Very high106 Ų10636.2 Ų36.246%0.46117%0.173SC..Hα-helixtrans-65.4-38.6-179.9-177.4177.6179.2178.40113.3Q339 A538 N539 F540Q339-K542 HydrophobicContact CB-CD 4.5Å; A538-K542 VanDerWaalsContact O-CB 3.29Å; A538-K542 WeakPolarHBondContact O-CB 3.46Å; A538-K542 PolarHBondContact O-N 2.73Å; N539-K542 PolarHBondContact O-N 2.98Å; F540-K542 VanDerWaalsContact C-N 3.32Å; F540-K542 PolarHBondContact O-N 3.11Å
543S92.4Very high97Very high73 Ų7334.5 Ų34.551%0.5117%0.171SC..Hα-helixtrans-77.6-32.117865.70000112.1N539 F540N539-S543 WeakPolarHBondContact O-CB 3.44Å; N539-S543 PolarHBondContact O-N 3.01Å; N539-S543 PolarHBondContact O-OG 3.3Å; N539-S543 VanDerWaalsContact O-OG 3.08Å; F540-S543 PolarHBondContact O-N 3.42Å; F540-S543 PolarHBondContact O-OG 2.64Å
544S92.9Very high97Very high0 Ų034.6 Ų34.60%017%0.172CC..Hα-helixtrans-90.4-27.7-169-58.90000114.8K206 R209 F540 V541K206-S544 PolarHBondContact N-O 3.47Å; R209-S544 PolarHBondContact NH1-OG 3.08Å; F540-S544 WeakPolarHBondContact CD2-OG 3.3Å; F540-S544 WeakPolarHBondContact CE2-OG 3.31Å; F540-S544 WeakPolarHBondContact CZ-OG 3.26Å; F540-S544 WeakPolarHBondContact O-CB 3.04Å; F540-S544 PolarHBondContact O-N 3.06Å; F540-S544 PolarHBondContact O-OG 3.42Å; V541-S544 PolarHBondContact O-N 3.32Å
545T96.6Very high97Very high4 Ų435.1 Ų35.13%0.02518%0.176CC..BIsolated β-bridgetrans-140.9168-165.674.10000112.1I204 L283 F506 V541 L547I204-T545 HydrophobicContact CG2-CG2 4.25Å; I204-T545 CarbonylContact O-C 3.28Å; I204-T545 WeakPolarHBondContact O-CA 3.43Å; I204-T545 VanDerWaalsContact O-CB 3.3Å; I204-T545 WeakPolarHBondContact O-CB 3.45Å; L283-T545 HydrophobicContact CD1-CG2 4.29Å; L283-T545 HydrophobicContact CD2-CG2 4.27Å; F506-T545 HydrophobicContact CE2-CG2 4.04Å; F506-T545 HydrophobicContact CZ-CG2 3.95Å; V541-T545 PolarHBondContact O-N 3.04Å; V541-T545 PolarHBondContact O-OG1 3.19Å; T545-L547 VanDerWaalsContact C-N 3.29Å; T545-L547 HydrophobicContact CG2-CD1 4.47Å; T545-L547 WeakPolarHBondContact OG1-CB 3.35Å; T545-L547 WeakPolarHBondContact OG1-CG 3.43Å; T545-L547 PolarHBondContact OG1-N 2.86Å
546N96.8Very high97Very high67 Ų6740 Ų4036%0.35820%0.196SC..SBendtrans-91.113.3168.5-59.9-41.6000112.3R203 I204 T205R203-N546 WeakPolarHBondContact O-CB 3.35Å; R203-N546 PolarHBondContact O-ND2 3.25Å; I204-N546 PolarHBondContact O-N 2.71Å; T205-N546 PolarHBondContact O-ND2 3.38Å
547L97.7Very high97Very high12 Ų1238.1 Ų38.16%0.06319%0.186CC..  trans-68.8144.1176.9-61.7178000110.5I204 L301 R303 L510 V541 T545I204-L547 HydrophobicContact CG2-CD1 4.34Å; I204-L547 HydrophobicContact CG2-CD2 3.98Å; I204-L547 HydrophobicContact CG2-CG 3.97Å; L301-L547 HydrophobicContact CD2-CD2 4.13Å; L301-L547 WeakPolarHBondContact O-CA 3.3Å; R303-L547 HydrophobicContact CG-CB 4.42Å; R303-L547 HydrophobicContact CG-CD1 4.19Å; R303-L547 HydrophobicContact CG-CD2 4.38Å; L510-L547 HydrophobicContact CD1-CD1 4.08Å; V541-L547 HydrophobicContact CG1-CB 3.92Å; V541-L547 HydrophobicContact CG1-CD1 4.31Å; T545-L547 VanDerWaalsContact C-N 3.29Å; T545-L547 HydrophobicContact CG2-CD1 4.47Å; T545-L547 WeakPolarHBondContact OG1-CB 3.35Å; T545-L547 WeakPolarHBondContact OG1-CG 3.43Å; T545-L547 PolarHBondContact OG1-N 2.86Å
548R97.9Very high97.1Very high127 Ų12738 Ų3848%0.47919%0.186SC..EExtended strand (participates in β ladder)trans-111.7109.5178.3-62.5-177.2-61.2-137.41.7109.1L301 D302 R303L301-R548 PolarHBondContact O-N 3.28Å; D302-R548 WeakPolarHBondContact CA-O 3.4Å; D302-R548 WeakPolarHBondContact OD1-CB 2.99Å; D302-R548 IonicContact OD1-CZ 2.99Å; D302-R548 IonicContact OD1-NE 3.49Å; D302-R548 PolarHBondContact OD1-NE 3.27Å; D302-R548 IonicContact OD1-NH2 2.7Å; D302-R548 PolarHBondContact OD1-NH2 3.22Å; D302-R548 IonicContact OD2-CZ 3.37Å; D302-R548 IonicContact OD2-NE 3.96Å; D302-R548 IonicContact OD2-NH2 3.99Å; D302-R548 PolarHBondContact OD2-NH2 3.45Å; R303-R548 PolarHBondContact N-O 2.76Å
549L98.5Very high97.1Very high14 Ų1443.1 Ų43.17%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-80.2135.3177.9-58.2-173.4000110.5R303 I305 V340 A341 V509 A538 V541R303-L549 HydrophobicContact CB-CD2 3.69Å; R303-L549 HydrophobicContact CG-CD2 4.34Å; R303-L549 CarbonylContact O-C 3.09Å; R303-L549 WeakPolarHBondContact O-CA 3.49Å; I305-L549 HydrophobicContact CD1-CD1 4.11Å; I305-L549 HydrophobicContact CD1-CD2 3.67Å; I305-L549 HydrophobicContact CD1-CG 4.34Å; I305-L549 HydrophobicContact CG1-CD2 4.49Å; V340-L549 HydrophobicContact CB-CB 4.15Å; V340-L549 HydrophobicContact CG1-CB 3.93Å; V340-L549 HydrophobicContact CG2-CB 3.76Å; V340-L549 HydrophobicContact CG2-CD1 3.88Å; V340-L549 HydrophobicContact CG2-CG 4.48Å; A341-L549 PolarHBondContact N-O 2.82Å; V509-L549 HydrophobicContact CG1-CD2 3.86Å; A538-L549 HydrophobicContact CB-CD1 4.13Å; V541-L549 HydrophobicContact CB-CD1 4.11Å; V541-L549 HydrophobicContact CG1-CD1 4.09Å; V541-L549 HydrophobicContact CG1-CD2 3.88Å; V541-L549 HydrophobicContact CG1-CG 3.99Å
550R98.3Very high97.1Very high95 Ų9542 Ų4236%0.35820%0.201SC..EExtended strand (participates in β ladder)trans-142.1154.4179.8-54.6-174.6-173.9-139.65.2110.5D302 R303 Y304 I305 A341D302-R550 IonicContact OD1-CZ 2.59Å; D302-R550 VanDerWaalsContact OD1-CZ 3.23Å; D302-R550 IonicContact OD1-NE 3.71Å; D302-R550 PolarHBondContact OD1-NE 3.45Å; D302-R550 IonicContact OD1-NH2 2.76Å; D302-R550 PolarHBondContact OD1-NH2 2.92Å; D302-R550 IonicContact OD2-NH2 3.8Å; R303-R550 PolarHBondContact O-N 2.83Å; Y304-R550 CarbonylContact C-O 3.45Å; Y304-R550 WeakPolarHBondContact CA-O 3.48Å; Y304-R550 HydrophobicContact CD1-CB 3.98Å; Y304-R550 HydrophobicContact CE1-CB 4.17Å; I305-R550 PolarHBondContact N-O 2.75Å; A341-R550 HydrophobicContact CB-CG 4.26Å
551T98.3Very high97.2Very high1 Ų141.2 Ų41.21%0.00620%0.197CC..  trans-119.6142.4169.2-61.90000108.9I305 L306 A341 N342 F343 W376I305-T551 WeakPolarHBondContact O-CB 3.38Å; I305-T551 WeakPolarHBondContact O-CG2 3.42Å; I305-T551 PolarHBondContact O-OG1 3.38Å; L306-T551 HydrophobicContact CD1-CG2 4.38Å; A341-T551 PolarHBondContact O-N 3.49Å; N342-T551 WeakPolarHBondContact O-CB 3.43Å; F343-T551 WeakPolarHBondContact CD2-OG1 3.29Å; W376-T551 HydrophobicContact CH2-CG2 3.87Å; W376-T551 HydrophobicContact CZ3-CG2 3.69Å
552L98.1Very high97.3Very high32 Ų3242.2 Ų42.217%0.16820%0.202CC..  trans-125.3148.4172.8-70.3176.6000108.7Y304 W376 Q556 L557 K560Y304-L552 HydrophobicContact CD1-CD1 3.58Å; Y304-L552 HydrophobicContact CD1-CG 3.71Å; Y304-L552 HydrophobicContact CE1-CD1 3.47Å; Y304-L552 VanDerWaalsContact CE1-CD1 3.47Å; Y304-L552 HydrophobicContact CE1-CD2 4.47Å; Y304-L552 HydrophobicContact CE1-CG 3.81Å; Y304-L552 HydrophobicContact CG-CD1 4.49Å; W376-L552 WeakPolarHBondContact CZ3-O 3.44Å; L552-Q556 HydrophobicContact CB-CB 4.36Å; L552-L557 HydrophobicContact CB-CB 4.08Å; L552-L557 HydrophobicContact CB-CD1 4.27Å; L552-L557 HydrophobicContact CD1-CD1 4.38Å; L552-K560 HydrophobicContact CD1-CB 4.21Å; L552-K560 HydrophobicContact CD1-CG 4.41Å
553P97.7Very high97.4Very high39 Ų3943.3 Ų43.325%0.25321%0.208SC..  trans-52.7143168.8-25.333.8000110.9W376 V555 Q556 L557W376-P553 VanDerWaalsContact CH2-CA 3.49Å; W376-P553 HydrophobicContact CH2-CB 4.17Å; W376-P553 HydrophobicContact CH2-CG 3.84Å; W376-P553 VanDerWaalsContact CH2-N 3.29Å; W376-P553 HydrophobicContact CZ2-CB 4.21Å; W376-P553 HydrophobicContact CZ2-CG 3.72Å; P553-V555 VanDerWaalsContact C-N 3.27Å; P553-V555 PolarHBondContact O-N 3.25Å; P553-V555 VanDerWaalsContact O-N 3.08Å; P553-Q556 HydrophobicContact CB-CG 4.4Å; P553-Q556 HydrophobicContact CG-CG 4.5Å; P553-Q556 PolarHBondContact O-N 2.95Å; P553-L557 PolarHBondContact O-N 3.38Å
554P96.8Very high97.6Very high2 Ų243 Ų431%0.01320%0.201CC..Hα-helixtrans-52.2-39.3-170.7-29.934.4000115L306 Y418 L557 A558L306-P554 HydrophobicContact CD2-CB 4.36Å; L306-P554 HydrophobicContact CD2-CG 3.99Å; Y418-P554 HydrophobicContact CD1-CB 3.98Å; Y418-P554 HydrophobicContact CD1-CG 3.87Å; Y418-P554 HydrophobicContact CD2-CB 3.72Å; Y418-P554 HydrophobicContact CD2-CG 4.5Å; Y418-P554 HydrophobicContact CE1-CG 4.44Å; Y418-P554 HydrophobicContact CE2-CB 4.32Å; Y418-P554 HydrophobicContact CG-CB 3.51Å; Y418-P554 HydrophobicContact CG-CG 3.89Å; P554-L557 PolarHBondContact O-N 3.23Å; P554-A558 PolarHBondContact O-N 3.41Å
555V98.2Very high97.6Very high20 Ų2044.1 Ų44.112%0.12121%0.206CC..Hα-helixtrans-64.9-44.8177-178.90000112.1M416 V446 P553 L557 A558 H559M416-V555 WeakPolarHBondContact O-CG2 3.38Å; V446-V555 HydrophobicContact CG2-CB 4.37Å; V446-V555 HydrophobicContact CG2-CG2 4.12Å; P553-V555 VanDerWaalsContact C-N 3.27Å; P553-V555 PolarHBondContact O-N 3.25Å; P553-V555 VanDerWaalsContact O-N 3.08Å; V555-L557 VanDerWaalsContact C-N 3.35Å; V555-A558 PolarHBondContact O-N 3.44Å; V555-H559 PolarHBondContact O-CD2 3.43Å; V555-H559 PolarHBondContact O-N 2.9Å; V555-H559 VanDerWaalsContact O-N 3.14Å
556Q98.4Very high97.6Very high112 Ų11247.8 Ų47.852%0.52323%0.23SC..Hα-helixtrans-68-38.1177.1-61.7-179.819.700111.3L552 P553 A558 H559 K560L552-Q556 HydrophobicContact CB-CB 4.36Å; P553-Q556 HydrophobicContact CB-CG 4.4Å; P553-Q556 HydrophobicContact CG-CG 4.5Å; P553-Q556 PolarHBondContact O-N 2.95Å; Q556-A558 VanDerWaalsContact C-N 3.28Å; Q556-A558 PolarHBondContact O-N 2.99Å; Q556-H559 PolarHBondContact O-N 2.8Å; Q556-K560 WeakPolarHBondContact O-CB 3.34Å; Q556-K560 PolarHBondContact O-N 2.81Å
557L98.4Very high97.4Very high0 Ų050.3 Ų50.30%024%0.239CC..Hα-helixtrans-60.7-40.2174.9-171.864.4000111.1Y304 L306 L472 I514 V516 L552 P553 P554 V555 K560 Y561Y304-L557 HydrophobicContact CD1-CD1 4.48Å; Y304-L557 HydrophobicContact CG-CD1 4.15Å; L306-L557 HydrophobicContact CB-CD2 3.86Å; L306-L557 HydrophobicContact CD2-CD2 4.09Å; L472-L557 HydrophobicContact CD1-CD2 4.45Å; L472-L557 HydrophobicContact CD1-CG 4.43Å; I514-L557 HydrophobicContact CD1-CD1 4.35Å; I514-L557 HydrophobicContact CG1-CD1 4.16Å; I514-L557 HydrophobicContact CG2-CD1 3.8Å; I514-L557 HydrophobicContact CG2-CD2 4.17Å; I514-L557 HydrophobicContact CG2-CG 3.99Å; V516-L557 HydrophobicContact CG2-CD2 3.96Å; L552-L557 HydrophobicContact CB-CB 4.08Å; L552-L557 HydrophobicContact CB-CD1 4.27Å; L552-L557 HydrophobicContact CD1-CD1 4.38Å; P553-L557 PolarHBondContact O-N 3.38Å; P554-L557 PolarHBondContact O-N 3.23Å; V555-L557 VanDerWaalsContact C-N 3.35Å; L557-K560 WeakPolarHBondContact O-CB 3.47Å; L557-K560 PolarHBondContact O-N 2.91Å; L557-Y561 PolarHBondContact O-N 3.46Å
558A98.5Very high97.3Very high0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-66.3-44.9177.300000112.7V446 M470 L472 P554 V555 Q556 K560 Y561 F562V446-A558 HydrophobicContact CB-CB 4.33Å; V446-A558 HydrophobicContact CG1-CB 3.74Å; V446-A558 HydrophobicContact CG2-CB 3.53Å; M470-A558 HydrophobicContact CB-CB 4.03Å; M470-A558 HydrophobicContact CE-CB 3.82Å; M470-A558 HydrophobicContact SD-CB 3.78Å; L472-A558 HydrophobicContact CD1-CB 3.96Å; L472-A558 HydrophobicContact CD2-CB 3.91Å; L472-A558 HydrophobicContact CG-CB 4.15Å; P554-A558 PolarHBondContact O-N 3.41Å; V555-A558 PolarHBondContact O-N 3.44Å; Q556-A558 VanDerWaalsContact C-N 3.28Å; Q556-A558 PolarHBondContact O-N 2.99Å; A558-K560 VanDerWaalsContact C-N 3.28Å; A558-K560 PolarHBondContact O-N 3.48Å; A558-Y561 WeakPolarHBondContact O-CB 3.25Å; A558-Y561 PolarHBondContact O-N 3.47Å; A558-Y561 VanDerWaalsContact O-N 3.08Å; A558-F562 VanDerWaalsContact O-CD2 3.28Å; A558-F562 WeakPolarHBondContact O-CD2 3.48Å; A558-F562 PolarHBondContact O-N 3.03Å; A558-F562 VanDerWaalsContact O-N 3.09Å
559H98.4Very high97.1Very high112 Ų11247.1 Ų47.152%0.51923%0.233SC..Hα-helixtrans-58.6-42.7172.9-71.9-59.5000111.7M470 V555 Q556 Y561 F562 E563M470-H559 VanDerWaalsContact CE-CE1 3.49Å; M470-H559 WeakPolarHBondContact CE-CE1 3.11Å; V555-H559 PolarHBondContact O-CD2 3.43Å; V555-H559 PolarHBondContact O-N 2.9Å; V555-H559 VanDerWaalsContact O-N 3.14Å; Q556-H559 PolarHBondContact O-N 2.8Å; H559-Y561 VanDerWaalsContact C-N 3.29Å; H559-Y561 PolarHBondContact O-N 3.48Å; H559-F562 PolarHBondContact O-N 3.47Å; H559-E563 WeakPolarHBondContact O-CB 3.33Å; H559-E563 PolarHBondContact O-N 2.75Å
560K98.3Very high96.9Very high46 Ų4649.7 Ų49.720%0.225%0.247CC..Hα-helixtrans-60.6-38.9174.9-167.373.7-153.3159.80111.9Y304 I514 L552 Q556 L557 A558 E563 L564Y304-K560 HydrophobicContact CE2-CG 4.08Å; I514-K560 HydrophobicContact CD1-CB 4.39Å; I514-K560 HydrophobicContact CD1-CG 4.32Å; L552-K560 HydrophobicContact CD1-CB 4.21Å; L552-K560 HydrophobicContact CD1-CG 4.41Å; Q556-K560 WeakPolarHBondContact O-CB 3.34Å; Q556-K560 PolarHBondContact O-N 2.81Å; L557-K560 WeakPolarHBondContact O-CB 3.47Å; L557-K560 PolarHBondContact O-N 2.91Å; A558-K560 VanDerWaalsContact C-N 3.28Å; A558-K560 PolarHBondContact O-N 3.48Å; K560-E563 WeakPolarHBondContact CD-OE2 3.29Å; K560-E563 IonicContact NZ-OE1 3.89Å; K560-E563 PolarHBondContact NZ-OE1 2.95Å; K560-E563 IonicContact NZ-OE2 3.74Å; K560-E563 PolarHBondContact NZ-OE2 3.31Å; K560-E563 PolarHBondContact O-N 3.22Å; K560-L564 HydrophobicContact CG-CD1 4.43Å; K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.33Å; K560-L564 PolarHBondContact O-N 2.71Å
561Y98.2Very high96.7Very high4 Ų445.1 Ų45.12%0.01623%0.23CC..Hα-helixtrans-60.9-51.7177.5-174.1-87.7000112.2R103 R462 G463 L472 P473 I514 L557 A558 H559 E563 L564 F565 Q568R103-Y561 PolarHBondContact NH2-OH 3.05Å; R462-Y561 WeakPolarHBondContact CA-OH 3.47Å; G463-Y561 PolarHBondContact N-OH 3.28Å; L472-Y561 HydrophobicContact CD2-CD1 3.99Å; L472-Y561 HydrophobicContact CD2-CD2 4.24Å; L472-Y561 HydrophobicContact CD2-CG 3.68Å; P473-Y561 HydrophobicContact CG-CE2 3.55Å; P473-Y561 WeakPolarHBondContact CG-OH 3.29Å; I514-Y561 HydrophobicContact CB-CD2 4.24Å; I514-Y561 VanDerWaalsContact CD1-CA 3.41Å; I514-Y561 HydrophobicContact CD1-CD2 3.87Å; I514-Y561 HydrophobicContact CD1-CG 4.27Å; I514-Y561 HydrophobicContact CG2-CD2 4.28Å; L557-Y561 PolarHBondContact O-N 3.46Å; A558-Y561 WeakPolarHBondContact O-CB 3.25Å; A558-Y561 PolarHBondContact O-N 3.47Å; A558-Y561 VanDerWaalsContact O-N 3.08Å; H559-Y561 VanDerWaalsContact C-N 3.29Å; H559-Y561 PolarHBondContact O-N 3.48Å; Y561-E563 VanDerWaalsContact C-N 3.31Å; Y561-E563 PolarHBondContact O-N 3.29Å; Y561-L564 PolarHBondContact O-N 2.99Å; Y561-F565 HydrophobicContact CD1-CD2 4.18Å; Y561-F565 AromaticContact CD2-CD2 3.83Å; Y561-F565 HydrophobicContact CD2-CD2 3.83Å; Y561-F565 HydrophobicContact CD2-CE2 4.04Å; Y561-F565 HydrophobicContact CE1-CB 4.35Å; Y561-F565 AromaticContact CE1-CD2 3.95Å; Y561-F565 HydrophobicContact CE1-CD2 3.95Å; Y561-F565 AromaticContact CE2-CD2 3.6Å; Y561-F565 HydrophobicContact CE2-CD2 3.6Å; Y561-F565 AromaticContact CE2-CE2 3.77Å; Y561-F565 HydrophobicContact CE2-CE2 3.77Å; Y561-F565 HydrophobicContact CG-CD2 4.11Å; Y561-F565 AromaticContact CZ-CD2 3.66Å; Y561-F565 WeakPolarHBondContact O-CD2 3.29Å; Y561-F565 PolarHBondContact O-N 2.89Å; Y561-Q568 PolarHBondContact OH-OE1 3.24Å
562F98Very high96.6Very high20 Ų2045.8 Ų45.89%0.08823%0.233CC..Hα-helixtrans-75.4-19.1-179.2-68.2-74.2000113.2I465 M470 L472 A558 H559 F565 P566 Q568I465-F562 HydrophobicContact CD1-CD1 4.43Å; I465-F562 HydrophobicContact CD1-CD2 4.33Å; I465-F562 HydrophobicContact CD1-CE1 4.44Å; I465-F562 HydrophobicContact CD1-CE2 4.38Å; I465-F562 HydrophobicContact CD1-CG 4.37Å; I465-F562 HydrophobicContact CD1-CZ 4.42Å; I465-F562 HydrophobicContact CG1-CD1 4.34Å; I465-F562 HydrophobicContact CG1-CD2 4.48Å; I465-F562 HydrophobicContact CG1-CE1 3.88Å; I465-F562 HydrophobicContact CG1-CE2 4.07Å; I465-F562 HydrophobicContact CG1-CZ 3.73Å; M470-F562 HydrophobicContact CB-CD2 4.31Å; M470-F562 HydrophobicContact CB-CE2 3.67Å; M470-F562 HydrophobicContact CG-CD2 3.83Å; M470-F562 HydrophobicContact CG-CE2 3.62Å; M470-F562 HydrophobicContact SD-CD2 3.66Å; M470-F562 HydrophobicContact SD-CE2 4.03Å; L472-F562 HydrophobicContact CD2-CE2 4.2Å; A558-F562 VanDerWaalsContact O-CD2 3.28Å; A558-F562 WeakPolarHBondContact O-CD2 3.48Å; A558-F562 PolarHBondContact O-N 3.03Å; A558-F562 VanDerWaalsContact O-N 3.09Å; H559-F562 PolarHBondContact O-N 3.47Å; F562-F565 CarbonylContact O-C 3.54Å; F562-P566 VanDerWaalsContact O-CA 3.31Å; F562-P566 WeakPolarHBondContact O-CA 3.45Å; F562-Q568 WeakPolarHBondContact CE1-O 3.47Å
563E97.3Very high96.5Very high129 Ų12944.3 Ų44.360%0.60323%0.225SC*.Hα-helixtrans-66.7-42.4165.4-173-160.6148.300111.3H559 K560 Y561H559-E563 WeakPolarHBondContact O-CB 3.33Å; H559-E563 PolarHBondContact O-N 2.75Å; K560-E563 WeakPolarHBondContact CD-OE2 3.29Å; K560-E563 IonicContact NZ-OE1 3.89Å; K560-E563 PolarHBondContact NZ-OE1 2.95Å; K560-E563 IonicContact NZ-OE2 3.74Å; K560-E563 PolarHBondContact NZ-OE2 3.31Å; K560-E563 PolarHBondContact O-N 3.22Å; Y561-E563 VanDerWaalsContact C-N 3.31Å; Y561-E563 PolarHBondContact O-N 3.29Å
564L95.3Very high96.3Very high68 Ų6844.1 Ų44.136%0.35622%0.221SC..Hα-helixtrans-74.1-30.7177.9-69.1175.5000112.7P513 I514 K560 Y561P513-L564 HydrophobicContact CB-CD1 4.08Å; I514-L564 HydrophobicContact CD1-CD1 3.9Å; I514-L564 HydrophobicContact CG1-CD1 4.36Å; K560-L564 HydrophobicContact CG-CD1 4.43Å; K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.33Å; K560-L564 PolarHBondContact O-N 2.71Å; Y561-L564 PolarHBondContact O-N 2.99Å
565F94.9Very high96.2Very high22 Ų2244.9 Ų44.910%0.09623%0.225CC..  trans-133.762.2-171.5-50.7-55.2000112.1P513 Y561 F562 E567 Q568P513-F565 HydrophobicContact CG-CZ 4.11Å; Y561-F565 HydrophobicContact CD1-CD2 4.18Å; Y561-F565 AromaticContact CD2-CD2 3.83Å; Y561-F565 HydrophobicContact CD2-CD2 3.83Å; Y561-F565 HydrophobicContact CD2-CE2 4.04Å; Y561-F565 HydrophobicContact CE1-CB 4.35Å; Y561-F565 AromaticContact CE1-CD2 3.95Å; Y561-F565 HydrophobicContact CE1-CD2 3.95Å; Y561-F565 AromaticContact CE2-CD2 3.6Å; Y561-F565 HydrophobicContact CE2-CD2 3.6Å; Y561-F565 AromaticContact CE2-CE2 3.77Å; Y561-F565 HydrophobicContact CE2-CE2 3.77Å; Y561-F565 HydrophobicContact CG-CD2 4.11Å; Y561-F565 AromaticContact CZ-CD2 3.66Å; Y561-F565 WeakPolarHBondContact O-CD2 3.29Å; Y561-F565 PolarHBondContact O-N 2.89Å; F562-F565 CarbonylContact O-C 3.54Å; F565-E567 WeakPolarHBondContact CA-OE2 3.26Å; F565-E567 PolarHBondContact O-N 3.1Å; F565-Q568 HydrophobicContact CB-CB 4.33Å; F565-Q568 HydrophobicContact CB-CG 4.14Å; F565-Q568 PolarHBondContact O-N 3.28Å
566P95.9Very high95.9Very high82 Ų8244 Ų4453%0.53222%0.219SC..G310 helixtrans-60.7-30.6-175.725.2-35.1000112.9F562 Q568 T569F562-P566 VanDerWaalsContact O-CA 3.31Å; F562-P566 WeakPolarHBondContact O-CA 3.45Å; P566-Q568 PolarHBondContact O-N 3.26Å; P566-T569 WeakPolarHBondContact O-CB 3.39Å; P566-T569 PolarHBondContact O-N 3.46Å; P566-T569 PolarHBondContact O-OG1 3.12Å
567E92.6Very high95.5Very high119 Ų11939.8 Ų39.856%0.55620%0.202SC*.G310 helixtrans-64.9-15.8177.476.6-70.8170.700113.8R103 F565R103-E567 IonicContact NH1-OE1 3.97Å; R103-E567 PolarHBondContact NH1-OE1 3.18Å; R103-E567 VanDerWaalsContact NH1-OE1 3.15Å; F565-E567 WeakPolarHBondContact CA-OE2 3.26Å; F565-E567 PolarHBondContact O-N 3.1Å
568Q94.6Very high95.1Very high22 Ų2243.6 Ų43.610%0.10322%0.222CC..G310 helixtrans-95.73.5180-58.3-166.5-2800113.1R103 R462 G463 F464 Y561 F562 F565 P566 D570R103-Q568 VanDerWaalsContact CZ-NE2 3.26Å; R103-Q568 VanDerWaalsContact NH1-OE1 3.15Å; R462-Q568 VanDerWaalsContact CB-CD 3.47Å; R462-Q568 HydrophobicContact CB-CG 4.45Å; R462-Q568 VanDerWaalsContact CB-NE2 3.34Å; G463-Q568 CarbonylContact C-O 3.52Å; G463-Q568 VanDerWaalsContact O-O 3.12Å; F464-Q568 VanDerWaalsContact CA-O 3.29Å; F464-Q568 WeakPolarHBondContact CA-O 3.22Å; Y561-Q568 PolarHBondContact OH-OE1 3.24Å; F562-Q568 WeakPolarHBondContact CE1-O 3.47Å; F565-Q568 HydrophobicContact CB-CB 4.33Å; F565-Q568 HydrophobicContact CB-CG 4.14Å; F565-Q568 PolarHBondContact O-N 3.28Å; P566-Q568 PolarHBondContact O-N 3.26Å; Q568-D570 VanDerWaalsContact C-N 3.28Å; Q568-D570 PolarHBondContact O-N 2.94Å
569T94.9Very high94.8Very high50 Ų5045 Ų4531%0.30723%0.23SC..SBendtrans-58.6-44.5172.8-59.10000111I465 P566I465-T569 HydrophobicContact CB-CG2 4.39Å; I465-T569 HydrophobicContact CD1-CG2 3.83Å; I465-T569 HydrophobicContact CG1-CG2 4.09Å; I465-T569 PolarHBondContact N-O 3.14Å; P566-T569 WeakPolarHBondContact O-CB 3.39Å; P566-T569 PolarHBondContact O-N 3.46Å; P566-T569 PolarHBondContact O-OG1 3.12Å
570D93.3Very high94.5Very high68 Ų6846.9 Ų46.936%0.36424%0.237SC..SBendtrans-78.3127-179.2-78.1-4.4000110.7Q568 H643 R680Q568-D570 VanDerWaalsContact C-N 3.28Å; Q568-D570 PolarHBondContact O-N 2.94Å; D570-H643 IonicContact OD1-CE1 2.76Å; D570-H643 PolarHBondContact OD1-CE1 3.08Å; D570-H643 VanDerWaalsContact OD1-CE1 3.24Å; D570-H643 IonicContact OD1-ND1 3.55Å; D570-H643 IonicContact OD2-CE1 2.81Å; D570-R680 IonicContact OD2-NH2 2.79Å
571P94.9Very high94.2Very high0 Ų048.5 Ų48.50%024%0.242CC..  trans-63.5158.6173.227.4-32.8000110.2F464 W573 Y642F464-P571 HydrophobicContact CB-CB 4.01Å; F464-P571 HydrophobicContact CD2-CB 4.02Å; F464-P571 HydrophobicContact CG-CB 4.27Å; P571-W573 HydrophobicContact CB-CD2 3.95Å; P571-W573 HydrophobicContact CB-CE3 3.84Å; P571-W573 HydrophobicContact CB-CH2 3.31Å; P571-W573 HydrophobicContact CB-CZ2 3.42Å; P571-W573 VanDerWaalsContact CB-CZ2 3.42Å; P571-W573 HydrophobicContact CB-CZ3 3.52Å; P571-W573 HydrophobicContact CG-CD2 4.41Å; P571-W573 HydrophobicContact CG-CH2 3.61Å; P571-W573 HydrophobicContact CG-CZ2 3.24Å; P571-W573 HydrophobicContact CG-CZ3 4.3Å; P571-Y642 VanDerWaalsContact O-CE1 3.29Å; P571-Y642 WeakPolarHBondContact O-CE1 3.43Å
572L95.1Very high94Very high15 Ų1548.3 Ų48.38%0.07924%0.241CC..  trans-132.997.3165.9-177.573.5000107.5Y452 Q574 R679 R680 S683Y452-L572 WeakPolarHBondContact CE2-O 3.45Å; Y452-L572 WeakPolarHBondContact OH-CA 3.43Å; Y452-L572 PolarHBondContact OH-N 3.21Å; Y452-L572 PolarHBondContact OH-O 2.93Å; L572-Q574 PolarHBondContact O-N 2.93Å; L572-Q574 PolarHBondContact O-NE2 2.88Å; L572-R679 HydrophobicContact CD1-CG 4.24Å; L572-R680 HydrophobicContact CD1-CG 4.12Å; L572-S683 WeakPolarHBondContact CG-OG 3.34Å
573W95.9Very high93.7Very high1 Ų154 Ų540%0.00426%0.262CS..  trans-66116.8-174.7-54.5134.9000111Y428 V430 F464 H466 P571 F636 Y642 I646 S683 L684Y428-W573 HydrophobicContact CE2-CE3 4.02Å; Y428-W573 HydrophobicContact CE2-CZ3 4.27Å; V430-W573 HydrophobicContact CG2-CH2 4.11Å; V430-W573 HydrophobicContact CG2-CZ3 3.94Å; F464-W573 HydrophobicContact CD2-CH2 4.1Å; F464-W573 HydrophobicContact CD2-CZ3 4.15Å; F464-W573 AromaticContact CE2-CH2 4Å; F464-W573 HydrophobicContact CE2-CH2 4Å; F464-W573 AromaticContact CE2-CZ3 3.91Å; F464-W573 HydrophobicContact CE2-CZ3 3.91Å; F464-W573 HydrophobicContact CZ-CZ3 4.49Å; H466-W573 HydrophobicContact CB-CH2 4.25Å; H466-W573 AromaticContact ND1-CH2 3.89Å; H466-W573 AromaticContact ND1-CZ2 3.94Å; P571-W573 HydrophobicContact CB-CD2 3.95Å; P571-W573 HydrophobicContact CB-CE3 3.84Å; P571-W573 HydrophobicContact CB-CH2 3.31Å; P571-W573 HydrophobicContact CB-CZ2 3.42Å; P571-W573 VanDerWaalsContact CB-CZ2 3.42Å; P571-W573 HydrophobicContact CB-CZ3 3.52Å; P571-W573 HydrophobicContact CG-CD2 4.41Å; P571-W573 HydrophobicContact CG-CH2 3.61Å; P571-W573 HydrophobicContact CG-CZ2 3.24Å; P571-W573 HydrophobicContact CG-CZ3 4.3Å; W573-F636 AromaticContact CD1-CZ 3.82Å; W573-Y642 AromaticContact CD1-CE1 3.69Å; W573-Y642 AromaticContact CD1-CE2 3.42Å; W573-Y642 VanDerWaalsContact CD1-CE2 3.42Å; W573-Y642 AromaticContact CD1-CZ 3.24Å; W573-Y642 HydrophobicContact CG-CE1 4.41Å; W573-Y642 HydrophobicContact CG-CE2 4.35Å; W573-Y642 AromaticContact CG-CZ 3.9Å; W573-Y642 PolarHBondContact N-OH 3.16Å; W573-Y642 AromaticContact NE1-CE1 3.78Å; W573-Y642 AromaticContact NE1-CZ 3.83Å; W573-Y642 PolarHBondContact NE1-O 3.41Å; W573-I646 HydrophobicContact CB-CD1 3.89Å; W573-I646 HydrophobicContact CB-CG1 3.75Å; W573-I646 HydrophobicContact CD2-CG1 4.26Å; W573-I646 HydrophobicContact CG-CD1 4.35Å; W573-I646 HydrophobicContact CG-CG1 3.82Å; W573-S683 CarbonylContact O-C 3.39Å; W573-S683 VanDerWaalsContact O-C 3.28Å; W573-S683 WeakPolarHBondContact O-CB 3.15Å; W573-S683 PolarHBondContact O-OG 3.26Å; W573-L684 HydrophobicContact CB-CD1 4.36Å; W573-L684 WeakPolarHBondContact O-CA 3.46Å; W573-L684 PolarHBondContact O-N 3.23Å
574Q94.6Very high93.5Very high34 Ų3452.1 Ų52.116%0.15926%0.256CS..  trans-80.6161.9169.3-54.8-54.7-50.100110Y428 P453 L572 P576 S683 L684Y428-Q574 WeakPolarHBondContact OH-CA 3.18Å; Y428-Q574 WeakPolarHBondContact OH-CB 3.5Å; Y428-Q574 PolarHBondContact OH-N 3.32Å; P453-Q574 HydrophobicContact CB-CG 3.58Å; L572-Q574 PolarHBondContact O-N 2.93Å; L572-Q574 PolarHBondContact O-NE2 2.88Å; Q574-P576 WeakPolarHBondContact O-CD 3.44Å; Q574-S683 CarbonylContact C-O 3.54Å; Q574-S683 WeakPolarHBondContact CA-O 3.27Å; Q574-S683 VanDerWaalsContact CD-OG 3.3Å; Q574-S683 PolarHBondContact NE2-OG 3.29Å; Q574-S683 PolarHBondContact OE1-OG 3.25Å; Q574-L684 WeakPolarHBondContact O-CD1 3.25Å
575N93.8Very high93.3Very high19 Ų1949 Ų4910%0.10224%0.239CC..  trans-68.9109.5167.7-168.3-6000110.8C577 D578 S683 L684N575-C577 PolarHBondContact O-N 2.8Å; N575-C577 WeakPolarHBondContact OD1-CB 3.45Å; N575-C577 PolarHBondContact OD1-N 3.28Å; N575-C577 VanDerWaalsContact OD1-N 3.15Å; N575-D578 HydrophobicContact CB-CB 4.37Å; N575-D578 VanDerWaalsContact CB-OD2 3.31Å; N575-D578 WeakPolarHBondContact CB-OD2 3.26Å; N575-D578 PolarHBondContact ND2-OD2 2.91Å; N575-D578 PolarHBondContact O-N 3.48Å; N575-S683 PolarHBondContact N-O 3.21Å; N575-L684 WeakPolarHBondContact CB-O 3.15Å
576P91.9Very high93.1Very high0 Ų048.7 Ų48.70%024%0.238CC..G310 helixtrans-61.3-19.9179-21.936000112.7P429 Q574 D579 H582 R583 W586 I646P429-P576 HydrophobicContact CB-CB 4.32Å; P429-P576 HydrophobicContact CB-CG 4.25Å; P429-P576 HydrophobicContact CG-CB 3.85Å; P429-P576 HydrophobicContact CG-CG 4.27Å; Q574-P576 WeakPolarHBondContact O-CD 3.44Å; P576-D579 VanDerWaalsContact O-O 3.14Å; P576-H582 HydrophobicContact CB-CB 4.37Å; P576-H582 WeakPolarHBondContact O-CB 3.31Å; P576-R583 WeakPolarHBondContact O-CG 3.26Å; P576-W586 HydrophobicContact CB-CD2 4.34Å; P576-W586 HydrophobicContact CB-CZ2 4.44Å; P576-W586 HydrophobicContact CG-CZ2 4.19Å; P576-I646 HydrophobicContact CG-CD1 3.89Å
577C90.1Very high92.7Very high24 Ų2445.1 Ų45.116%0.16222%0.215CC..G310 helixtrans-80.3-22.9-175.5-61.50000114.7N575 D579 C592N575-C577 PolarHBondContact O-N 2.8Å; N575-C577 WeakPolarHBondContact OD1-CB 3.45Å; N575-C577 PolarHBondContact OD1-N 3.28Å; N575-C577 VanDerWaalsContact OD1-N 3.15Å; C577-D579 PolarHBondContact O-N 3.01Å; C577-C592 HydrophobicContact CB-CB 3.76Å; C577-C592 WeakPolarHBondContact CB-SG 3.47Å; C577-C592 WeakPolarHBondContact SG-CA 3.41Å; C577-C592 WeakPolarHBondContact SG-CB 3.34Å; C577-C592 CovalentContact SG-SG 2Å; C577-C592 PolarHBondContact SG-SG 2.79Å
578D90.8Very high92.3Very high80 Ų8049.4 Ų49.443%0.42823%0.226SC..G310 helixtrans-81.1-7.3179.1-70.3-43.6000111.7N575 K687N575-D578 HydrophobicContact CB-CB 4.37Å; N575-D578 VanDerWaalsContact CB-OD2 3.31Å; N575-D578 WeakPolarHBondContact CB-OD2 3.26Å; N575-D578 PolarHBondContact ND2-OD2 2.91Å; N575-D578 PolarHBondContact O-N 3.48Å; D578-K687 IonicContact OD1-NZ 2.77Å; D578-K687 PolarHBondContact OD1-NZ 3.03Å
579D91.2Very high91.7Very high30 Ų3053.5 Ų53.516%0.1625%0.248CC..  trans-118.7120.7178.3-167.6-41.9000110.9H454 P576 C577 R581 H582 R583H454-D579 IonicContact CG-OD2 3.42Å; H454-D579 IonicContact ND1-OD2 3.99Å; H454-D579 PolarHBondContact ND1-OD2 3.4Å; P576-D579 VanDerWaalsContact O-O 3.14Å; C577-D579 PolarHBondContact O-N 3.01Å; D579-R581 VanDerWaalsContact C-N 3.3Å; D579-R581 PolarHBondContact O-N 2.92Å; D579-R581 WeakPolarHBondContact OD1-CB 3.39Å; D579-R581 PolarHBondContact OD1-N 2.81Å; D579-H582 HydrophobicContact CB-CB 3.97Å; D579-H582 PolarHBondContact O-N 2.71Å; D579-H582 PolarHBondContact OD1-N 2.83Å; D579-H582 IonicContact OD2-CE1 3.19Å; D579-H582 IonicContact OD2-ND1 2.78Å; D579-H582 IonicContact OD2-NE2 2.86Å; D579-R583 WeakPolarHBondContact O-CG 3.37Å; D579-R583 PolarHBondContact O-N 3.04Å; D579-R583 VanDerWaalsContact O-N 3.12Å
580K92.3Very high91.3Very high151 Ų15152.8 Ų52.866%0.65724%0.241SC*.Hα-helixtrans-60-42179.7-176.9-173.4172.8-171.20111.3R583 D584K580-R583 PolarHBondContact O-N 3.18Å; K580-D584 PolarHBondContact O-N 2.82Å
581R92.2Very high90.9Very high80 Ų8051.5 Ų51.530%0.30224%0.236SC..Hα-helixtrans-64.8-45.5-177.4177.159.9178.4169.73.1110.1E451 D579 R583 D584 I585E451-R581 WeakPolarHBondContact OE1-CG 3.49Å; E451-R581 IonicContact OE1-CZ 3.01Å; E451-R581 IonicContact OE1-NE 3.93Å; E451-R581 PolarHBondContact OE1-NE 2.79Å; E451-R581 IonicContact OE1-NH2 3.06Å; E451-R581 WeakPolarHBondContact OE2-CG 3.48Å; D579-R581 VanDerWaalsContact C-N 3.3Å; D579-R581 PolarHBondContact O-N 2.92Å; D579-R581 WeakPolarHBondContact OD1-CB 3.39Å; D579-R581 PolarHBondContact OD1-N 2.81Å; R581-R583 VanDerWaalsContact C-N 3.32Å; R581-R583 PolarHBondContact O-N 3.12Å; R581-D584 PolarHBondContact O-N 2.95Å; R581-D584 VanDerWaalsContact O-N 3.12Å; R581-I585 WeakPolarHBondContact O-CG1 3.41Å; R581-I585 PolarHBondContact O-N 3.31Å; R581-I585 VanDerWaalsContact O-N 3.16Å
582H94.3Very high90.3Very high0 Ų053.2 Ų53.20%025%0.247CC..Hα-helixtrans-60-41.9177.4-68.2167.5000112.2Y428 P429 E451 P453 H454 P576 D579 D584 I585 W586Y428-H582 AromaticContact CD1-CE1 3.95Å; Y428-H582 AromaticContact CD1-NE2 3.87Å; Y428-H582 AromaticContact CE1-CE1 3.52Å; Y428-H582 AromaticContact CE1-ND1 3.91Å; Y428-H582 AromaticContact CE1-NE2 3.93Å; P429-H582 HydrophobicContact CG-CB 3.64Å; E451-H582 PolarHBondContact O-CE1 2.79Å; E451-H582 PolarHBondContact O-NE2 3.26Å; E451-H582 IonicContact OE2-CD2 2.77Å; E451-H582 IonicContact OE2-NE2 3.82Å; P453-H582 PolarHBondContact O-CE1 2.9Å; H454-H582 AromaticContact ND1-CE1 3.68Å; P576-H582 HydrophobicContact CB-CB 4.37Å; P576-H582 WeakPolarHBondContact O-CB 3.31Å; D579-H582 HydrophobicContact CB-CB 3.97Å; D579-H582 PolarHBondContact O-N 2.71Å; D579-H582 PolarHBondContact OD1-N 2.83Å; D579-H582 IonicContact OD2-CE1 3.19Å; D579-H582 IonicContact OD2-ND1 2.78Å; D579-H582 IonicContact OD2-NE2 2.86Å; H582-D584 VanDerWaalsContact C-N 3.33Å; H582-D584 PolarHBondContact O-N 2.83Å; H582-I585 CarbonylContact O-C 3.44Å; H582-I585 PolarHBondContact O-N 2.92Å; H582-W586 WeakPolarHBondContact O-CB 3.43Å; H582-W586 PolarHBondContact O-N 3.05Å
583R92.1Very high89.9Confident139 Ų13956.6 Ų56.653%0.52527%0.266SS..Hα-helixtrans-60-41.9173.5-72176.252.3-148.1-9.9112.9P576 D579 K580 R581 I585 W586P576-R583 WeakPolarHBondContact O-CG 3.26Å; D579-R583 WeakPolarHBondContact O-CG 3.37Å; D579-R583 PolarHBondContact O-N 3.04Å; D579-R583 VanDerWaalsContact O-N 3.12Å; K580-R583 PolarHBondContact O-N 3.18Å; R581-R583 VanDerWaalsContact C-N 3.32Å; R581-R583 PolarHBondContact O-N 3.12Å; R583-I585 VanDerWaalsContact C-N 3.25Å; R583-I585 PolarHBondContact O-N 2.92Å; R583-W586 PolarHBondContact O-N 2.96Å
584D92.3Very high89.4Confident90 Ų9057.8 Ų57.848%0.48127%0.271SS..Hα-helixtrans-66.9-27.5-178.1-67.6-19.1000112.2K580 R581 H582K580-D584 PolarHBondContact O-N 2.82Å; R581-D584 PolarHBondContact O-N 2.95Å; R581-D584 VanDerWaalsContact O-N 3.12Å; H582-D584 VanDerWaalsContact C-N 3.33Å; H582-D584 PolarHBondContact O-N 2.83Å
585I92.6Very high89.3Confident2 Ų256.4 Ų56.41%0.0127%0.265CS..THydrogen-bonded Turntrans-10715.9177.268.7176.6000113.4H388 Y428 E451 R581 H582 R583H388-I585 WeakPolarHBondContact CB-O 3.47Å; Y428-I585 WeakPolarHBondContact O-CD1 3.4Å; E451-I585 HydrophobicContact CG-CD1 3.91Å; R581-I585 WeakPolarHBondContact O-CG1 3.41Å; R581-I585 PolarHBondContact O-N 3.31Å; R581-I585 VanDerWaalsContact O-N 3.16Å; H582-I585 CarbonylContact O-C 3.44Å; H582-I585 PolarHBondContact O-N 2.92Å; R583-I585 VanDerWaalsContact C-N 3.25Å; R583-I585 PolarHBondContact O-N 2.92Å
586W90.6Very high89.4Confident16 Ų1655.7 Ų55.76%0.06126%0.261CS..SBendtrans-94152.8173.8-152.632.3000110.4H388 P576 H582 R583 R588 K590 M650H388-W586 PolarHBondContact CD2-O 2.87Å; H388-W586 VanDerWaalsContact CD2-O 3.3Å; P576-W586 HydrophobicContact CB-CD2 4.34Å; P576-W586 HydrophobicContact CB-CZ2 4.44Å; P576-W586 HydrophobicContact CG-CZ2 4.19Å; H582-W586 WeakPolarHBondContact O-CB 3.43Å; H582-W586 PolarHBondContact O-N 3.05Å; R583-W586 PolarHBondContact O-N 2.96Å; W586-R588 PolarHBondContact O-N 2.71Å; W586-K590 HydrophobicContact CD2-CB 3.72Å; W586-K590 HydrophobicContact CD2-CD 3.99Å; W586-K590 HydrophobicContact CE3-CB 3.81Å; W586-K590 HydrophobicContact CG-CB 4.46Å; W586-K590 HydrophobicContact CG-CD 4.21Å; W586-K590 HydrophobicContact CH2-CB 3.77Å; W586-K590 HydrophobicContact CZ2-CB 3.66Å; W586-K590 HydrophobicContact CZ2-CD 3.76Å; W586-K590 HydrophobicContact CZ2-CG 4.29Å; W586-K590 HydrophobicContact CZ3-CB 3.84Å; W586-M650 HydrophobicContact CH2-CE 3.48Å; W586-M650 VanDerWaalsContact CH2-CE 3.48Å; W586-M650 HydrophobicContact CH2-SD 3.73Å; W586-M650 HydrophobicContact CZ2-CE 3.82Å; W586-M650 HydrophobicContact CZ2-SD 3.52Å; W586-M650 VanDerWaalsContact CZ2-SD 3.52Å
587S86.9Confident89.6Confident8 Ų859.9 Ų59.96%0.05628%0.279CS..  trans-62.2136.2176.9175.90000110.4D589 K590S587-D589 PolarHBondContact O-N 2.63Å; S587-K590 WeakPolarHBondContact O-CB 3.42Å; S587-K590 PolarHBondContact O-N 3.22Å
588R84.1Confident90Very high208 Ų20858.8 Ų58.879%0.78527%0.272SS*.THydrogen-bonded Turntrans-63.4-21.5-177.1-66.6-176177.3-173.7-0.1114W586 K590W586-R588 PolarHBondContact O-N 2.71Å; R588-K590 PolarHBondContact O-N 3.3Å
589D82.4Confident90.4Very high108 Ų10855 Ų5558%0.57825%0.252SS*.THydrogen-bonded Turntrans-77.8-7.8178.7-55.1-31.3000112.1H391 S587H391-D589 IonicContact CE1-OD1 3.72Å; H391-D589 IonicContact CE1-OD2 2.74Å; H391-D589 PolarHBondContact CE1-OD2 3.24Å; H391-D589 IonicContact CG-OD2 3.73Å; H391-D589 IonicContact ND1-OD1 3.46Å; H391-D589 IonicContact ND1-OD2 3.83Å; H391-D589 PolarHBondContact ND1-OD2 2.78Å; S587-D589 PolarHBondContact O-N 2.63Å
590K85.8Confident90.7Very high36 Ų3653.6 Ų53.616%0.15724%0.244CC..  trans-99.7134.1-179.7-58.8178.9-175.8-1780109.9V430 W586 S587 R588 D647 M650V430-K590 PolarHBondContact O-NZ 3.38Å; W586-K590 HydrophobicContact CD2-CB 3.72Å; W586-K590 HydrophobicContact CD2-CD 3.99Å; W586-K590 HydrophobicContact CE3-CB 3.81Å; W586-K590 HydrophobicContact CG-CB 4.46Å; W586-K590 HydrophobicContact CG-CD 4.21Å; W586-K590 HydrophobicContact CH2-CB 3.77Å; W586-K590 HydrophobicContact CZ2-CB 3.66Å; W586-K590 HydrophobicContact CZ2-CD 3.76Å; W586-K590 HydrophobicContact CZ2-CG 4.29Å; W586-K590 HydrophobicContact CZ3-CB 3.84Å; S587-K590 WeakPolarHBondContact O-CB 3.42Å; S587-K590 PolarHBondContact O-N 3.22Å; R588-K590 PolarHBondContact O-N 3.3Å; K590-D647 VanDerWaalsContact CE-OD1 3.26Å; K590-D647 WeakPolarHBondContact CE-OD1 3.27Å; K590-D647 WeakPolarHBondContact CE-OD2 3.44Å; K590-D647 IonicContact NZ-OD1 3.5Å; K590-D647 PolarHBondContact NZ-OD1 2.9Å; K590-D647 IonicContact NZ-OD2 3.1Å; K590-D647 PolarHBondContact NZ-OD2 3.29Å; K590-M650 HydrophobicContact CB-CE 4.28Å
591T84.8Confident91Very high41 Ų4146.5 Ų46.525%0.25221%0.213SC..  trans-127.8148.1176.3177.10000111.5D593 H594 M650T591-D593 HydrophobicContact CG2-CB 4.02Å; T591-D593 PolarHBondContact O-N 3.14Å; T591-D593 VanDerWaalsContact O-N 3.17Å; T591-D593 PolarHBondContact OG1-N 3.29Å; T591-D593 VanDerWaalsContact OG1-N 3.14Å; T591-D593 PolarHBondContact OG1-OD2 2.84Å; T591-H594 WeakPolarHBondContact CG2-CD2 3.28Å; T591-H594 WeakPolarHBondContact CG2-NE2 3.49Å; T591-H594 PolarHBondContact O-N 2.92Å; T591-M650 WeakPolarHBondContact O-CE 3.29Å
592C83.2Confident91.3Very high35 Ų3542.7 Ų42.724%0.23620%0.199CC..G310 helixtrans-59.8-19170.8-55.90000113.3C577 H594 L595C577-C592 HydrophobicContact CB-CB 3.76Å; C577-C592 WeakPolarHBondContact CB-SG 3.47Å; C577-C592 WeakPolarHBondContact SG-CA 3.41Å; C577-C592 WeakPolarHBondContact SG-CB 3.34Å; C577-C592 CovalentContact SG-SG 2Å; C577-C592 PolarHBondContact SG-SG 2.79Å; C592-H594 PolarHBondContact O-N 2.84Å; C592-L595 PolarHBondContact O-N 2.83Å
593D85.2Confident91.4Very high87 Ų8742.7 Ų42.747%0.46520%0.199SC..G310 helixtrans-75.2-14-179.2-57-39.6000112.3T591 L595 P656 L664T591-D593 HydrophobicContact CG2-CB 4.02Å; T591-D593 PolarHBondContact O-N 3.14Å; T591-D593 VanDerWaalsContact O-N 3.17Å; T591-D593 PolarHBondContact OG1-N 3.29Å; T591-D593 VanDerWaalsContact OG1-N 3.14Å; T591-D593 PolarHBondContact OG1-OD2 2.84Å; D593-L595 VanDerWaalsContact C-N 3.31Å; D593-L595 PolarHBondContact O-N 2.8Å; D593-P656 HydrophobicContact CB-CG 3.91Å; D593-P656 WeakPolarHBondContact O-CG 3.19Å; D593-L664 WeakPolarHBondContact O-CD1 3.41Å
594H87.5Confident91.6Very high25 Ų2537.4 Ų37.412%0.11618%0.18CC..G310 helixtrans-83.41.4174.9-67.2-176.8000114T591 C592 M650 F653 T655T591-H594 WeakPolarHBondContact CG2-CD2 3.28Å; T591-H594 WeakPolarHBondContact CG2-NE2 3.49Å; T591-H594 PolarHBondContact O-N 2.92Å; C592-H594 PolarHBondContact O-N 2.84Å; H594-M650 HydrophobicContact CB-CB 4.39Å; H594-M650 HydrophobicContact CB-CE 3.69Å; H594-M650 HydrophobicContact CB-CG 4.46Å; H594-F653 WeakPolarHBondContact O-CB 3.35Å; H594-F653 WeakPolarHBondContact O-CD2 3.33Å; H594-F653 VanDerWaalsContact O-CG 3.3Å; H594-F653 WeakPolarHBondContact O-CG 3.27Å; H594-T655 PolarHBondContact CE1-OG1 2.92Å; H594-T655 VanDerWaalsContact CE1-OG1 3.3Å; H594-T655 VanDerWaalsContact NE2-CA 3.26Å; H594-T655 WeakPolarHBondContact NE2-CA 3.28Å; H594-T655 WeakPolarHBondContact NE2-CB 3.08Å; H594-T655 WeakPolarHBondContact NE2-CG2 3.2Å; H594-T655 PolarHBondContact NE2-OG1 3.33Å
595L92.3Very high91.8Very high6 Ų635.4 Ų35.43%0.03117%0.167CC..SBendtrans-94.9138.2176.6-69.5175.2000111.1C592 D593 Y649 M650 I685C592-L595 PolarHBondContact O-N 2.83Å; D593-L595 VanDerWaalsContact C-N 3.31Å; D593-L595 PolarHBondContact O-N 2.8Å; L595-Y649 HydrophobicContact CD2-CD1 4.04Å; L595-Y649 HydrophobicContact CD2-CE1 4.21Å; L595-M650 HydrophobicContact CD2-CG 3.97Å; L595-I685 HydrophobicContact CB-CG2 4.09Å; L595-I685 HydrophobicContact CD1-CG2 4.26Å
596P95.3Very high92Very high4 Ų435.6 Ų35.63%0.02617%0.169CC..  trans-65.4141.7179.926-31.6000111.6L599 Y649 F653 L664 I685P596-L599 HydrophobicContact CG-CD2 4.21Å; P596-Y649 HydrophobicContact CG-CE1 4Å; P596-Y649 WeakPolarHBondContact CG-OH 3.42Å; P596-F653 HydrophobicContact CB-CE1 3.79Å; P596-F653 HydrophobicContact CB-CZ 3.94Å; P596-F653 HydrophobicContact CG-CE1 3.95Å; P596-F653 HydrophobicContact CG-CE2 4.17Å; P596-F653 HydrophobicContact CG-CZ 3.56Å; P596-L664 CarbonylContact C-O 3.55Å; P596-L664 WeakPolarHBondContact CA-O 3.38Å; P596-L664 HydrophobicContact CB-CB 4.47Å; P596-I685 HydrophobicContact CG-CD1 4.2Å
597K95.6Very high92.2Very high88 Ų8836.3 Ų36.338%0.38318%0.18SC..SBendtrans-87.6-15.6176.7-54.3-53.2-174.9-1650112.3L663 L664 A688 K689K597-L663 HydrophobicContact CB-CD2 4.06Å; K597-L663 HydrophobicContact CG-CD2 4Å; K597-L664 PolarHBondContact N-O 2.9Å; K597-A688 CarbonylContact O-C 3.55Å; K597-A688 VanDerWaalsContact O-CA 3.23Å; K597-A688 WeakPolarHBondContact O-CA 3.23Å; K597-K689 PolarHBondContact O-N 2.91Å
598F98.2Very high92.6Very high1 Ų136.3 Ų36.30%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-152.5158.917369.7-87000113V600 L615 I621 L663 F665 K689 I691 L787F598-V600 HydrophobicContact CE2-CG2 4.37Å; F598-L615 HydrophobicContact CE2-CD1 3.94Å; F598-L615 HydrophobicContact CE2-CD2 4.36Å; F598-L615 HydrophobicContact CZ-CD1 4.29Å; F598-L615 HydrophobicContact CZ-CD2 4.12Å; F598-I621 HydrophobicContact CE1-CG2 4.2Å; F598-I621 HydrophobicContact CZ-CG2 3.87Å; F598-L663 HydrophobicContact CE1-CB 4.23Å; F598-F665 HydrophobicContact CD1-CB 3.71Å; F598-F665 HydrophobicContact CD2-CB 3.67Å; F598-F665 HydrophobicContact CD2-CD2 4.46Å; F598-F665 HydrophobicContact CD2-CG 4.31Å; F598-F665 HydrophobicContact CE1-CB 3.41Å; F598-F665 VanDerWaalsContact CE1-CB 3.41Å; F598-F665 HydrophobicContact CE1-CD1 4.28Å; F598-F665 HydrophobicContact CE1-CG 4Å; F598-F665 HydrophobicContact CE2-CB 3.36Å; F598-F665 HydrophobicContact CE2-CD1 4.33Å; F598-F665 AromaticContact CE2-CD2 3.67Å; F598-F665 HydrophobicContact CE2-CD2 3.67Å; F598-F665 AromaticContact CE2-CG 3.54Å; F598-F665 HydrophobicContact CE2-CG 3.54Å; F598-F665 HydrophobicContact CG-CB 3.84Å; F598-F665 HydrophobicContact CZ-CB 3.22Å; F598-F665 AromaticContact CZ-CD1 3.73Å; F598-F665 HydrophobicContact CZ-CD1 3.73Å; F598-F665 AromaticContact CZ-CD2 3.93Å; F598-F665 HydrophobicContact CZ-CD2 3.93Å; F598-F665 AromaticContact CZ-CG 3.35Å; F598-F665 HydrophobicContact CZ-CG 3.35Å; F598-F665 WeakPolarHBondContact O-CA 3.47Å; F598-F665 WeakPolarHBondContact O-CB 3.33Å; F598-K689 CarbonylContact C-O 3.51Å; F598-K689 WeakPolarHBondContact CA-O 3.44Å; F598-K689 HydrophobicContact CB-CB 3.8Å; F598-K689 WeakPolarHBondContact CB-O 3.5Å; F598-I691 HydrophobicContact CD2-CD1 3.86Å; F598-I691 HydrophobicContact CE2-CD1 4.11Å; F598-L787 HydrophobicContact CB-CD2 3.9Å; F598-L787 HydrophobicContact CD1-CD1 4.19Å; F598-L787 HydrophobicContact CD1-CD2 3.6Å; F598-L787 HydrophobicContact CD2-CD2 4.02Å; F598-L787 HydrophobicContact CE1-CD1 3.7Å; F598-L787 HydrophobicContact CE1-CD2 4Å; F598-L787 HydrophobicContact CE2-CD1 4.13Å; F598-L787 HydrophobicContact CE2-CD2 4.41Å; F598-L787 HydrophobicContact CG-CD2 3.59Å; F598-L787 HydrophobicContact CZ-CD1 3.66Å; F598-L787 HydrophobicContact CZ-CD2 4.39Å
599L98.8Very high93.1Very high0 Ų027.1 Ų27.10%015%0.147CC..EExtended strand (participates in β ladder)trans-123.4132.5-179.8-58.4-179.9000110.8P596 I601 F637 E666 Y671 A681 I685 K689 I690 I691P596-L599 HydrophobicContact CG-CD2 4.21Å; L599-I601 HydrophobicContact CB-CG2 3.81Å; L599-F637 HydrophobicContact CD1-CD2 4.41Å; L599-F637 HydrophobicContact CD1-CE2 4.14Å; L599-F637 HydrophobicContact CD2-CE2 4.45Å; L599-E666 HydrophobicContact CD2-CG 3.41Å; L599-E666 VanDerWaalsContact CD2-CG 3.41Å; L599-Y671 HydrophobicContact CD1-CD2 4.45Å; L599-Y671 HydrophobicContact CD1-CE2 4.48Å; L599-A681 HydrophobicContact CD1-CB 4.04Å; L599-I685 HydrophobicContact CD1-CD1 3.85Å; L599-I685 HydrophobicContact CD2-CD1 3.85Å; L599-I685 HydrophobicContact CG-CD1 3.93Å; L599-K689 PolarHBondContact N-O 2.85Å; L599-I690 HydrophobicContact CB-CD1 4.16Å; L599-I690 HydrophobicContact CD1-CD1 4.06Å; L599-I690 HydrophobicContact CG-CD1 4.34Å; L599-I691 PolarHBondContact O-N 2.96Å
600V98.7Very high93.8Very high1 Ų122.8 Ų22.81%0.00613%0.127CC..EExtended strand (participates in β ladder)trans-95101.1164.4-178.20000108.5F598 L611 L615 F665 E666 K667 S668 I691F598-V600 HydrophobicContact CE2-CG2 4.37Å; V600-L611 HydrophobicContact CG1-CD2 4.03Å; V600-L611 HydrophobicContact CG2-CD2 4.15Å; V600-L615 HydrophobicContact CG2-CD1 4.11Å; V600-F665 HydrophobicContact CG2-CD2 4.36Å; V600-E666 PolarHBondContact N-O 3.26Å; V600-K667 HydrophobicContact CB-CB 3.88Å; V600-K667 HydrophobicContact CB-CG 3.93Å; V600-K667 HydrophobicContact CG1-CB 4.41Å; V600-K667 HydrophobicContact CG1-CG 3.9Å; V600-K667 WeakPolarHBondContact O-CA 3.18Å; V600-S668 PolarHBondContact O-N 2.81Å; V600-I691 WeakPolarHBondContact CA-O 3.45Å; V600-I691 HydrophobicContact CG2-CB 4.32Å
601I98.6Very high94.3Very high1 Ų121.1 Ų21.11%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-87.8-9.1-164.661.7164.2000114.2L599 S668 A669 Y671 F672 I690 I691 W755L599-I601 HydrophobicContact CB-CG2 3.81Å; I601-S668 CarbonylContact C-O 3.41Å; I601-S668 VanDerWaalsContact O-O 3.07Å; I601-A669 CarbonylContact O-C 3.58Å; I601-A669 WeakPolarHBondContact O-CA 3.32Å; I601-Y671 HydrophobicContact CG2-CD2 4.27Å; I601-F672 HydrophobicContact CD1-CD2 3.87Å; I601-F672 HydrophobicContact CG1-CB 4.49Å; I601-F672 HydrophobicContact CG1-CD2 4.28Å; I601-F672 VanDerWaalsContact O-CB 3.25Å; I601-F672 WeakPolarHBondContact O-CB 3.25Å; I601-F672 PolarHBondContact O-N 3.02Å; I601-I690 HydrophobicContact CD1-CG2 3.51Å; I601-I690 HydrophobicContact CG1-CG2 3.9Å; I601-I690 HydrophobicContact CG2-CG2 3.84Å; I601-I691 WeakPolarHBondContact CG1-O 3.14Å; I601-I691 PolarHBondContact N-O 2.91Å; I601-W755 HydrophobicContact CB-CH2 4.39Å; I601-W755 HydrophobicContact CB-CZ2 4.07Å; I601-W755 HydrophobicContact CD1-CD2 3.69Å; I601-W755 VanDerWaalsContact CD1-CE2 3.45Å; I601-W755 HydrophobicContact CD1-CE3 4.31Å; I601-W755 HydrophobicContact CD1-CG 3.98Å; I601-W755 HydrophobicContact CD1-CZ2 3.95Å; I601-W755 HydrophobicContact CG2-CH2 3.6Å; I601-W755 HydrophobicContact CG2-CZ2 3.78Å; I601-W755 HydrophobicContact CG2-CZ3 4.08Å
602G97.5Very high94.9Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans108.4-147.6-176.900000113.2T692 I693G602-T692 VanDerWaalsContact O-CA 3.29Å; G602-T692 WeakPolarHBondContact O-CA 3.46Å; G602-T692 WeakPolarHBondContact O-CB 3.43Å; G602-T692 PolarHBondContact O-OG1 3.39Å; G602-I693 PolarHBondContact O-N 2.97Å
603P97.6Very high95.4Very high0 Ų021.8 Ų21.80%012%0.117CC..  cis-69.4175.2-2.221.2-28.9000114.6T606 T608 F672 I693 Y748P603-T606 HydrophobicContact CG-CG2 3.78Å; P603-T606 PolarHBondContact O-OG1 3.1Å; P603-T608 WeakPolarHBondContact O-CG2 3.49Å; P603-F672 HydrophobicContact CB-CB 4.22Å; P603-F672 HydrophobicContact CB-CD1 3.61Å; P603-F672 HydrophobicContact CB-CE1 4.17Å; P603-F672 HydrophobicContact CB-CG 4.02Å; P603-F672 HydrophobicContact CG-CD1 3.8Å; P603-F672 HydrophobicContact CG-CE1 3.89Å; P603-F672 HydrophobicContact CG-CG 4.2Å; P603-F672 HydrophobicContact CG-CZ 4.38Å; P603-I693 WeakPolarHBondContact CD-O 3.23Å; P603-Y748 HydrophobicContact CG-CD1 4.4Å; P603-Y748 HydrophobicContact CG-CE1 3.81Å
604Q96.3Very high96Very high29 Ų2918.1 Ų18.114%0.13610%0.097CC..THydrogen-bonded Turntrans-61.6148173.4-64.7176.8-54.200111.3T606 A669 N670 R700 W704Q604-T606 VanDerWaalsContact C-N 3.33Å; Q604-T606 PolarHBondContact O-N 3.39Å; Q604-A669 HydrophobicContact CB-CB 4.34Å; Q604-A669 HydrophobicContact CG-CB 3.6Å; Q604-N670 PolarHBondContact NE2-OD1 3.15Å; Q604-R700 WeakPolarHBondContact O-CG 3.47Å; Q604-R700 PolarHBondContact O-NE 3.14Å; Q604-W704 HydrophobicContact CB-CE3 4.2Å; Q604-W704 HydrophobicContact CB-CZ3 4.26Å; Q604-W704 HydrophobicContact CG-CZ3 4.39Å; Q604-W704 VanDerWaalsContact NE2-CZ3 3.34Å
605K95.6Very high96.5Very high48 Ų4817 Ų1721%0.2099%0.091CC..THydrogen-bonded Turntrans72.913.2172.9-44.6-53.7-56.1-172.60116.2I695 R700 S703 W704 H707K605-I695 WeakPolarHBondContact O-CD1 3.32Å; K605-R700 HydrophobicContact CB-CG 4.36Å; K605-S703 VanDerWaalsContact CE-O 3.3Å; K605-S703 WeakPolarHBondContact CE-O 3.11Å; K605-S703 WeakPolarHBondContact CE-OG 3.33Å; K605-W704 HydrophobicContact CD-CE3 3.92Å; K605-W704 HydrophobicContact CG-CB 4.01Å; K605-W704 HydrophobicContact CG-CE3 3.85Å; K605-H707 HydrophobicContact CD-CB 4.25Å; K605-H707 PolarHBondContact NZ-CD2 2.77Å
606T96.6Very high96.6Very high6 Ų620.1 Ų20.14%0.03711%0.108CC..SBendtrans-100.8-0.3-178.960.50000115P603 Q604 I693 I695 R700P603-T606 HydrophobicContact CG-CG2 3.78Å; P603-T606 PolarHBondContact O-OG1 3.1Å; Q604-T606 VanDerWaalsContact C-N 3.33Å; Q604-T606 PolarHBondContact O-N 3.39Å; T606-I693 WeakPolarHBondContact CB-O 3.48Å; T606-I693 VanDerWaalsContact CG2-O 3.27Å; T606-I693 WeakPolarHBondContact CG2-O 3.14Å; T606-I693 WeakPolarHBondContact O-CG2 3.29Å; T606-I693 PolarHBondContact OG1-O 3.26Å; T606-I695 HydrophobicContact CG2-CD1 4.46Å; T606-I695 HydrophobicContact CG2-CG1 4Å; T606-R700 HydrophobicContact CG2-CG 4.05Å
607G95.2Very high96.5Very high30 Ų3020.9 Ų20.931%0.30911%0.112SC..SBendtrans110.78.3-178.200000114.5T609 A610 L611G607-T609 VanDerWaalsContact C-N 3.26Å; G607-T609 PolarHBondContact O-N 2.63Å; G607-T609 VanDerWaalsContact O-N 3.1Å; G607-A610 WeakPolarHBondContact O-CA 3.42Å; G607-A610 VanDerWaalsContact O-CB 3.27Å; G607-A610 WeakPolarHBondContact O-CB 3.48Å; G607-A610 PolarHBondContact O-N 3.25Å; G607-L611 PolarHBondContact O-N 3.48Å; G607-L611 VanDerWaalsContact O-N 3.08Å
608T96.1Very high96.5Very high8 Ų816.9 Ų16.95%0.0499%0.094CC..Hα-helixtrans-50.7-36.5-17958.20000115.2P603 Y612 K667 A669 I693P603-T608 WeakPolarHBondContact O-CG2 3.49Å; T608-Y612 VanDerWaalsContact O-CB 3.28Å; T608-Y612 WeakPolarHBondContact O-CB 3.18Å; T608-Y612 PolarHBondContact O-N 2.93Å; T608-K667 WeakPolarHBondContact OG1-CE 3.44Å; T608-A669 HydrophobicContact CG2-CB 4.31Å; T608-I693 HydrophobicContact CG2-CD1 4.05Å
609T94.7Very high96.2Very high16 Ų1621.1 Ų21.110%0.09812%0.122CC..Hα-helixtrans-75.5-27.7177.5-52.10000111.8G607 L613 E632 K667 L820 K824G607-T609 VanDerWaalsContact C-N 3.26Å; G607-T609 PolarHBondContact O-N 2.63Å; G607-T609 VanDerWaalsContact O-N 3.1Å; T609-L613 PolarHBondContact O-N 3.02Å; T609-L613 VanDerWaalsContact O-N 3.11Å; T609-E632 WeakPolarHBondContact CG2-OE1 3.22Å; T609-E632 PolarHBondContact OG1-OE1 3.32Å; T609-K667 PolarHBondContact OG1-NZ 2.91Å; T609-L820 HydrophobicContact CG2-CD2 3.83Å; T609-K824 HydrophobicContact CG2-CD 4.35Å; T609-K824 PolarHBondContact OG1-NZ 3.5Å
610A95.3Very high95.8Very high17 Ų1721.5 Ų21.514%0.1412%0.124CC..Hα-helixtrans-67.9-50.5172.400000110.2G607 Y612 L613 F614 L820G607-A610 WeakPolarHBondContact O-CA 3.42Å; G607-A610 VanDerWaalsContact O-CB 3.27Å; G607-A610 WeakPolarHBondContact O-CB 3.48Å; G607-A610 PolarHBondContact O-N 3.25Å; A610-Y612 VanDerWaalsContact C-N 3.3Å; A610-Y612 PolarHBondContact O-N 2.86Å; A610-L613 PolarHBondContact O-N 3.37Å; A610-L613 VanDerWaalsContact O-N 3.1Å; A610-F614 HydrophobicContact CB-CE2 4.2Å; A610-F614 HydrophobicContact CB-CZ 4.4Å; A610-F614 WeakPolarHBondContact O-CD2 3.44Å; A610-F614 VanDerWaalsContact O-CG 3.28Å; A610-F614 WeakPolarHBondContact O-CG 3.23Å; A610-F614 PolarHBondContact O-N 2.85Å; A610-L820 HydrophobicContact CB-CD1 3.74Å
611L97.6Very high95.6Very high0 Ų021.7 Ų21.70%013%0.125CC..Hα-helixtrans-55.2-46.6174.7178.963.2000111.6V600 G607 L613 F614 L615 I691 I693 I767 L772 M780 V783V600-L611 HydrophobicContact CG1-CD2 4.03Å; V600-L611 HydrophobicContact CG2-CD2 4.15Å; G607-L611 PolarHBondContact O-N 3.48Å; G607-L611 VanDerWaalsContact O-N 3.08Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 3.36Å; L611-F614 PolarHBondContact O-N 3.46Å; L611-L615 HydrophobicContact CD1-CD1 4.28Å; L611-L615 HydrophobicContact CD1-CG 4.24Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.36Å; L611-L615 WeakPolarHBondContact O-CB 3.33Å; L611-L615 WeakPolarHBondContact O-CG 3.48Å; L611-L615 PolarHBondContact O-N 3.03Å; L611-I691 HydrophobicContact CD2-CG2 3.91Å; L611-I693 HydrophobicContact CB-CD1 3.92Å; L611-I693 HydrophobicContact CD2-CD1 3.71Å; L611-I693 HydrophobicContact CD2-CG1 4.09Å; L611-I693 HydrophobicContact CG-CD1 4.45Å; L611-I767 HydrophobicContact CD1-CD1 4.36Å; L611-I767 HydrophobicContact CD2-CD1 3.81Å; L611-L772 HydrophobicContact CB-CD2 4.2Å; L611-M780 HydrophobicContact CD1-CE 4.37Å; L611-M780 HydrophobicContact CD1-SD 3.51Å; L611-M780 VanDerWaalsContact CD1-SD 3.51Å; L611-V783 HydrophobicContact CD1-CG2 4.33Å
612Y96.7Very high95.4Very high26 Ų2623.9 Ų23.910%0.10214%0.136CC..Hα-helixtrans-53.5-47.6175171.5-88.7000112.6T608 A610 L615 L616 S623 E632 F665 K667T608-Y612 VanDerWaalsContact O-CB 3.28Å; T608-Y612 WeakPolarHBondContact O-CB 3.18Å; T608-Y612 PolarHBondContact O-N 2.93Å; A610-Y612 VanDerWaalsContact C-N 3.3Å; A610-Y612 PolarHBondContact O-N 2.86Å; Y612-L615 PolarHBondContact O-N 3.25Å; Y612-L616 HydrophobicContact CD1-CD1 4.08Å; Y612-L616 HydrophobicContact CE1-CD1 3.42Å; Y612-L616 VanDerWaalsContact CE1-CD1 3.42Å; Y612-L616 HydrophobicContact CE1-CG 4.27Å; Y612-L616 WeakPolarHBondContact O-CG 3.39Å; Y612-L616 PolarHBondContact O-N 3.44Å; Y612-S623 WeakPolarHBondContact CE2-OG 3.44Å; Y612-S623 PolarHBondContact OH-OG 3.44Å; Y612-S623 VanDerWaalsContact OH-OG 3.13Å; Y612-E632 HydrophobicContact CE1-CB 4.09Å; Y612-E632 HydrophobicContact CE2-CB 4.09Å; Y612-F665 AromaticContact CD2-CE2 3.8Å; Y612-F665 HydrophobicContact CD2-CE2 3.8Å; Y612-F665 AromaticContact CD2-CZ 3.92Å; Y612-F665 HydrophobicContact CD2-CZ 3.92Å; Y612-F665 HydrophobicContact CE2-CE2 4.36Å; Y612-F665 HydrophobicContact CE2-CZ 4.24Å; Y612-K667 HydrophobicContact CD2-CB 3.97Å
613L95.1Very high95.3Very high64 Ų6424.3 Ų24.334%0.33514%0.14SC..Hα-helixtrans-67.5-36.7178.9-75.2-165.4000112.8T609 A610 L611 L616 L820T609-L613 PolarHBondContact O-N 3.02Å; T609-L613 VanDerWaalsContact O-N 3.11Å; A610-L613 PolarHBondContact O-N 3.37Å; A610-L613 VanDerWaalsContact O-N 3.1Å; L611-L613 VanDerWaalsContact C-N 3.34Å; L611-L613 PolarHBondContact O-N 3.36Å; L613-L616 HydrophobicContact CD2-CD1 4.26Å; L613-L616 PolarHBondContact O-N 3.29Å; L613-L820 HydrophobicContact CD1-CD2 3.22Å; L613-L820 HydrophobicContact CD1-CG 3.85Å; L613-L820 HydrophobicContact CG-CD2 3.88Å
614F97.1Very high95.2Very high11 Ų1124.5 Ų24.55%0.04814%0.141CC..Hα-helixtrans-68.2-42.4177.4-57.9-25.8000110.9A610 L611 L616 M617 L772 P776 M780 Y795 L799A610-F614 HydrophobicContact CB-CE2 4.2Å; A610-F614 HydrophobicContact CB-CZ 4.4Å; A610-F614 WeakPolarHBondContact O-CD2 3.44Å; A610-F614 VanDerWaalsContact O-CG 3.28Å; A610-F614 WeakPolarHBondContact O-CG 3.23Å; A610-F614 PolarHBondContact O-N 2.85Å; L611-F614 PolarHBondContact O-N 3.46Å; F614-L616 VanDerWaalsContact C-N 3.26Å; F614-L616 PolarHBondContact O-N 2.98Å; F614-M617 HydrophobicContact CD1-SD 4.15Å; F614-M617 VanDerWaalsContact O-CB 3.28Å; F614-M617 WeakPolarHBondContact O-CB 3.32Å; F614-M617 PolarHBondContact O-N 3.15Å; F614-L772 HydrophobicContact CD2-CD1 4.15Å; F614-L772 HydrophobicContact CE2-CD1 4.15Å; F614-P776 HydrophobicContact CD2-CB 4.13Å; F614-P776 HydrophobicContact CE2-CB 3.62Å; F614-P776 HydrophobicContact CE2-CG 4.38Å; F614-P776 HydrophobicContact CZ-CB 4.3Å; F614-M780 HydrophobicContact CB-CE 3.88Å; F614-M780 HydrophobicContact CB-CG 4.07Å; F614-M780 HydrophobicContact CB-SD 3.7Å; F614-M780 HydrophobicContact CD2-CG 4.4Å; F614-M780 HydrophobicContact CD2-SD 4.35Å; F614-Y795 HydrophobicContact CB-CE1 4.2Å; F614-Y795 VanDerWaalsContact O-CE1 3.28Å; F614-Y795 WeakPolarHBondContact O-CE1 3.4Å; F614-Y795 PolarHBondContact O-OH 3.04Å; F614-Y795 VanDerWaalsContact O-OH 3.12Å; F614-L799 HydrophobicContact CD1-CD1 4.29Å; F614-L799 HydrophobicContact CD1-CD2 3.63Å; F614-L799 HydrophobicContact CD2-CD1 4.44Å; F614-L799 HydrophobicContact CE1-CD1 4.33Å; F614-L799 HydrophobicContact CE1-CD2 3.56Å; F614-L799 HydrophobicContact CE2-CD1 4.48Å; F614-L799 HydrophobicContact CG-CD1 4.35Å; F614-L799 HydrophobicContact CG-CD2 4.44Å; F614-L799 HydrophobicContact CZ-CD1 4.43Å; F614-L799 HydrophobicContact CZ-CD2 4.31Å
615L96.8Very high95.1Very high0 Ų027.4 Ų27.40%016%0.157CC..Hα-helixtrans-55.6-40.6174-76.2167.6000112.6F598 V600 L611 Y612 M617 H618 I621 F665 M780 V783 L787F598-L615 HydrophobicContact CE2-CD1 3.94Å; F598-L615 HydrophobicContact CE2-CD2 4.36Å; F598-L615 HydrophobicContact CZ-CD1 4.29Å; F598-L615 HydrophobicContact CZ-CD2 4.12Å; V600-L615 HydrophobicContact CG2-CD1 4.11Å; L611-L615 HydrophobicContact CD1-CD1 4.28Å; L611-L615 HydrophobicContact CD1-CG 4.24Å; L611-L615 HydrophobicContact CG-CD1 3.93Å; L611-L615 HydrophobicContact CG-CG 4.36Å; L611-L615 WeakPolarHBondContact O-CB 3.33Å; L611-L615 WeakPolarHBondContact O-CG 3.48Å; L611-L615 PolarHBondContact O-N 3.03Å; Y612-L615 PolarHBondContact O-N 3.25Å; L615-M617 PolarHBondContact O-N 3Å; L615-H618 WeakPolarHBondContact O-CB 3.26Å; L615-H618 PolarHBondContact O-N 3.19Å; L615-H618 VanDerWaalsContact O-N 3.14Å; L615-I621 HydrophobicContact CB-CG2 4.19Å; L615-I621 HydrophobicContact CD2-CD1 3.79Å; L615-I621 HydrophobicContact CD2-CG2 4.38Å; L615-F665 HydrophobicContact CB-CE1 4.11Å; L615-F665 HydrophobicContact CB-CE2 4.27Å; L615-F665 HydrophobicContact CB-CZ 3.71Å; L615-F665 HydrophobicContact CD1-CD2 4.1Å; L615-F665 HydrophobicContact CD1-CE2 3.63Å; L615-F665 HydrophobicContact CD1-CZ 3.96Å; L615-F665 HydrophobicContact CG-CZ 4.49Å; L615-M780 HydrophobicContact CD2-CE 3.91Å; L615-M780 HydrophobicContact CG-CE 4.06Å; L615-V783 HydrophobicContact CD2-CG1 3.83Å; L615-L787 HydrophobicContact CD2-CD1 4.29Å
616L94.6Very high95Very high73 Ų7329.7 Ų29.738%0.38218%0.177SC..THydrogen-bonded Turntrans-63.8-16176.9-74.6-179000114.6Y612 L613 F614 H618 S623 F665Y612-L616 HydrophobicContact CD1-CD1 4.08Å; Y612-L616 HydrophobicContact CE1-CD1 3.42Å; Y612-L616 VanDerWaalsContact CE1-CD1 3.42Å; Y612-L616 HydrophobicContact CE1-CG 4.27Å; Y612-L616 WeakPolarHBondContact O-CG 3.39Å; Y612-L616 PolarHBondContact O-N 3.44Å; L613-L616 HydrophobicContact CD2-CD1 4.26Å; L613-L616 PolarHBondContact O-N 3.29Å; F614-L616 VanDerWaalsContact C-N 3.26Å; F614-L616 PolarHBondContact O-N 2.98Å; L616-H618 VanDerWaalsContact C-N 3.28Å; L616-S623 VanDerWaalsContact CD2-CB 3.46Å; L616-F665 HydrophobicContact CD2-CE1 4.4Å
617M94.8Very high94.9Very high20 Ų2030 Ų3010%0.09918%0.179CC..THydrogen-bonded Turntrans-75.9-21.3176.8-62.2168.954.300111.8F614 L615 Y793 Y795 A798 L799 Q810F614-M617 HydrophobicContact CD1-SD 4.15Å; F614-M617 VanDerWaalsContact O-CB 3.28Å; F614-M617 WeakPolarHBondContact O-CB 3.32Å; F614-M617 PolarHBondContact O-N 3.15Å; L615-M617 PolarHBondContact O-N 3Å; M617-Y793 HydrophobicContact CB-CE1 4.02Å; M617-Y793 HydrophobicContact CE-CE1 4.09Å; M617-Y795 HydrophobicContact CB-CE1 4.22Å; M617-Y795 HydrophobicContact CE-CD1 4.5Å; M617-A798 HydrophobicContact CE-CB 3.41Å; M617-A798 VanDerWaalsContact CE-CB 3.41Å; M617-A798 WeakPolarHBondContact CE-O 3.29Å; M617-L799 HydrophobicContact CE-CD2 3.85Å; M617-L799 HydrophobicContact CE-CG 4.37Å; M617-L799 HydrophobicContact SD-CD2 3.77Å; M617-Q810 HydrophobicContact CE-CB 4.29Å; M617-Q810 HydrophobicContact CE-CG 3.87Å; M617-Q810 HydrophobicContact SD-CB 4.03Å; M617-Q810 HydrophobicContact SD-CG 4.04Å
618H94.5Very high94.6Very high3 Ų334.6 Ų34.61%0.01420%0.203CC..SBendtrans-78.8126.4179.1-168.7-64.9000110.7L615 L616 S620 I621 Q784 V789 P791 Y793L615-H618 WeakPolarHBondContact O-CB 3.26Å; L615-H618 PolarHBondContact O-N 3.19Å; L615-H618 VanDerWaalsContact O-N 3.14Å; L616-H618 VanDerWaalsContact C-N 3.28Å; H618-S620 VanDerWaalsContact C-N 3.28Å; H618-S620 PolarHBondContact ND1-N 3.41Å; H618-S620 PolarHBondContact O-N 3.33Å; H618-I621 HydrophobicContact CB-CB 4.07Å; H618-I621 HydrophobicContact CB-CD1 3.85Å; H618-I621 HydrophobicContact CB-CG1 3.92Å; H618-I621 PolarHBondContact O-N 3.49Å; H618-I621 VanDerWaalsContact O-N 3.08Å; H618-Q784 PolarHBondContact CD2-OE1 2.85Å; H618-Q784 VanDerWaalsContact CD2-OE1 3.29Å; H618-V789 WeakPolarHBondContact CE1-CG2 3.37Å; H618-P791 PolarHBondContact CE1-O 3.09Å; H618-P791 PolarHBondContact NE2-O 2.9Å; H618-Y793 VanDerWaalsContact CD2-CB 3.44Å; H618-Y793 WeakPolarHBondContact CD2-CB 3.26Å
619P91.4Very high94.4Very high90 Ų9042.8 Ų42.858%0.58424%0.238SC*.THydrogen-bonded Turntrans-61.6-32.6-173.223.1-34000114
620S91.8Very high94.3Very high8 Ų843.2 Ų43.26%0.05624%0.241CC..THydrogen-bonded Turntrans-91.24.3179.3-42.10000114.9H618 T661 L663H618-S620 VanDerWaalsContact C-N 3.28Å; H618-S620 PolarHBondContact ND1-N 3.41Å; H618-S620 PolarHBondContact O-N 3.33Å; S620-T661 WeakPolarHBondContact CB-O 3.39Å; S620-L663 PolarHBondContact O-N 3.28Å
621I94.3Very high94.1Very high6 Ų649.3 Ų49.33%0.03126%0.264CS..EExtended strand (participates in β ladder)trans-111.6118.6178.3-61-179.9000108.5F598 L615 H618 F665 L787 V789F598-I621 HydrophobicContact CE1-CG2 4.2Å; F598-I621 HydrophobicContact CZ-CG2 3.87Å; L615-I621 HydrophobicContact CB-CG2 4.19Å; L615-I621 HydrophobicContact CD2-CD1 3.79Å; L615-I621 HydrophobicContact CD2-CG2 4.38Å; H618-I621 HydrophobicContact CB-CB 4.07Å; H618-I621 HydrophobicContact CB-CD1 3.85Å; H618-I621 HydrophobicContact CB-CG1 3.92Å; H618-I621 PolarHBondContact O-N 3.49Å; H618-I621 VanDerWaalsContact O-N 3.08Å; I621-F665 HydrophobicContact CG2-CD1 3.41Å; I621-F665 VanDerWaalsContact CG2-CD1 3.41Å; I621-F665 HydrophobicContact CG2-CE1 3.45Å; I621-F665 VanDerWaalsContact CG2-CE1 3.45Å; I621-F665 HydrophobicContact CG2-CG 4.43Å; I621-F665 HydrophobicContact CG2-CZ 4.47Å; I621-L787 HydrophobicContact CD1-CD1 3.98Å; I621-V789 HydrophobicContact CG1-CG2 4.18Å
622I94.3Very high93.8Very high46 Ų4651 Ų5124%0.23627%0.272CS..EExtended strand (participates in β ladder)trans-120.5125-172.2-58.4173.3000108.8P654 D662 L663 L664 F665I622-P654 HydrophobicContact CG2-CG 3.53Å; I622-D662 HydrophobicContact CD1-CB 3.99Å; I622-L663 PolarHBondContact N-O 3.04Å; I622-L664 HydrophobicContact CB-CD2 3.89Å; I622-L664 HydrophobicContact CG2-CD2 3.82Å; I622-L664 CarbonylContact O-C 3.53Å; I622-L664 VanDerWaalsContact O-CA 3.26Å; I622-L664 WeakPolarHBondContact O-CA 3.27Å; I622-F665 WeakPolarHBondContact O-CD1 3.46Å; I622-F665 PolarHBondContact O-N 3.38Å
623S95.3Very high93.8Very high10 Ų1050.5 Ų50.57%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-82.8162.7176.8179.30000112.2Y612 L616 F665Y612-S623 WeakPolarHBondContact CE2-OG 3.44Å; Y612-S623 PolarHBondContact OH-OG 3.44Å; Y612-S623 VanDerWaalsContact OH-OG 3.13Å; L616-S623 VanDerWaalsContact CD2-CB 3.46Å; S623-F665 WeakPolarHBondContact CA-O 3.34Å
624N95.3Very high93.9Very high4 Ų447.5 Ų47.52%0.02126%0.255CS..PPolyproline II helixtrans-52.6152158.865.9-86.4000113.2E632 V634 F652 F653 F665 E666N624-E632 PolarHBondContact ND2-O 3.24Å; N624-E632 PolarHBondContact OD1-O 2.91Å; N624-V634 HydrophobicContact CB-CG2 3.76Å; N624-V634 VanDerWaalsContact CG-CG2 3.49Å; N624-F652 CarbonylContact C-O 3.34Å; N624-F652 VanDerWaalsContact CA-O 3.27Å; N624-F652 WeakPolarHBondContact CA-O 3.19Å; N624-F652 HydrophobicContact CB-CB 4.2Å; N624-F653 HydrophobicContact CB-CD1 4.2Å; N624-F653 HydrophobicContact CB-CE1 3.83Å; N624-F653 HydrophobicContact CB-CZ 4.2Å; N624-F665 PolarHBondContact N-O 2.89Å; N624-F665 VanDerWaalsContact N-O 3.09Å; N624-E666 HydrophobicContact CB-CB 4.46Å; N624-E666 WeakPolarHBondContact OD1-CA 3.27Å; N624-E666 WeakPolarHBondContact OD1-CB 3.44Å
625L94.9Very high93.9Very high89 Ų8949 Ų4947%0.46626%0.262SS..PPolyproline II helixtrans-62.6144.8165.7-61.1176000110F652L625-F652 WeakPolarHBondContact CB-O 3.26Å; L625-F652 WeakPolarHBondContact CG-O 3.32Å; L625-F652 PolarHBondContact N-O 3.12Å
626P93.4Very high93.9Very high97 Ų9749 Ų4963%0.6326%0.262SS*.PPolyproline II helixtrans-70.8140.7-178.328.4-34.1000111.9F631P626-F631 CarbonylContact C-O 3.56Å; P626-F631 WeakPolarHBondContact CA-O 3.5Å
627S93.1Very high94.1Very high13 Ų1345.5 Ų45.59%0.09124%0.244CC..BIsolated β-bridgetrans-85.2136.2171.1171.50000110.7K629 T630 F631S627-K629 PolarHBondContact O-N 2.99Å; S627-K629 PolarHBondContact OG-N 3.45Å; S627-T630 WeakPolarHBondContact CB-OG1 3.23Å; S627-T630 PolarHBondContact OG-N 3.48Å; S627-T630 VanDerWaalsContact OG-N 3.1Å; S627-T630 PolarHBondContact OG-OG1 3.3Å; S627-F631 PolarHBondContact N-O 3.24Å; S627-F631 WeakPolarHBondContact O-CA 3.41Å; S627-F631 PolarHBondContact O-N 2.81Å
628P90.8Very high94.1Very high125 Ų12546.6 Ų46.681%0.81225%0.25SS*.THydrogen-bonded Turntrans-65.3-20.2173.526.8-34.2000113
629K91.4Very high94Very high181 Ų18147.5 Ų47.579%0.78726%0.26SS*.THydrogen-bonded Turntrans-99.4-35.3-178.4-65.3-173.2178.6-1750113.3S627S627-K629 PolarHBondContact O-N 2.99Å; S627-K629 PolarHBondContact OG-N 3.45Å
630T91.8Very high94.1Very high24 Ų2450 Ų5015%0.14727%0.268CS..THydrogen-bonded Turntrans-120.29.2-170.447.30000112.9S627 E632 E633 Q635S627-T630 WeakPolarHBondContact CB-OG1 3.23Å; S627-T630 PolarHBondContact OG-N 3.48Å; S627-T630 VanDerWaalsContact OG-N 3.1Å; S627-T630 PolarHBondContact OG-OG1 3.3Å; T630-E632 PolarHBondContact O-N 3.27Å; T630-E633 WeakPolarHBondContact CB-O 3.44Å; T630-E633 PolarHBondContact O-N 2.79Å; T630-E633 PolarHBondContact OG1-O 3.08Å; T630-Q635 HydrophobicContact CG2-CG 4.24Å
631F91.8Very high94.2Very high145 Ų14551.3 Ų51.364%0.63628%0.275SS*.BIsolated β-bridgetrans56.3-119.3176.4-51-81.4000111.7P626 S627 E633P626-F631 CarbonylContact C-O 3.56Å; P626-F631 WeakPolarHBondContact CA-O 3.5Å; S627-F631 PolarHBondContact N-O 3.24Å; S627-F631 WeakPolarHBondContact O-CA 3.41Å; S627-F631 PolarHBondContact O-N 2.81Å; F631-E633 PolarHBondContact O-N 3.43Å
632E91.8Very high94.4Very high36 Ų3651 Ų5117%0.16827%0.273CS..THydrogen-bonded Turntrans-69.3-16.2178.972.5-96-153.800114T609 Y612 N624 T630 K667 K824T609-E632 WeakPolarHBondContact CG2-OE1 3.22Å; T609-E632 PolarHBondContact OG1-OE1 3.32Å; Y612-E632 HydrophobicContact CE1-CB 4.09Å; Y612-E632 HydrophobicContact CE2-CB 4.09Å; N624-E632 PolarHBondContact ND2-O 3.24Å; N624-E632 PolarHBondContact OD1-O 2.91Å; T630-E632 PolarHBondContact O-N 3.27Å; E632-K667 HydrophobicContact CG-CD 4.3Å; E632-K667 IonicContact OE1-NZ 3.56Å; E632-K667 PolarHBondContact OE1-NZ 3.21Å; E632-K824 IonicContact OE1-NZ 3.45Å
633E95.9Very high94.4Very high16 Ų1651.6 Ų51.68%0.07528%0.275CS..  trans-95.7141.2-174.2-49.2-164.316400112.7T630 F631 Q635 K667 A669T630-E633 WeakPolarHBondContact CB-O 3.44Å; T630-E633 PolarHBondContact O-N 2.79Å; T630-E633 PolarHBondContact OG1-O 3.08Å; F631-E633 PolarHBondContact O-N 3.43Å; E633-Q635 HydrophobicContact CB-CG 3.83Å; E633-Q635 PolarHBondContact OE2-NE2 3.41Å; E633-K667 VanDerWaalsContact CA-O 3.26Å; E633-K667 WeakPolarHBondContact CA-O 3.3Å; E633-K667 WeakPolarHBondContact CB-O 3.48Å; E633-K667 HydrophobicContact CG-CD 3.95Å; E633-K667 WeakPolarHBondContact CG-O 3.4Å; E633-K667 WeakPolarHBondContact OE1-CE 3.41Å; E633-K667 IonicContact OE1-NZ 2.86Å; E633-K667 PolarHBondContact OE1-NZ 3.13Å; E633-A669 PolarHBondContact OE1-N 2.89Å
634V96.6Very high94.3Very high0 Ų055.5 Ų55.50%029%0.291CS..  trans-85.8-39174.6-171.30000111.1N624 F636 W648 Y649 F652 E666 S668N624-V634 HydrophobicContact CB-CG2 3.76Å; N624-V634 VanDerWaalsContact CG-CG2 3.49Å; V634-F636 VanDerWaalsContact C-N 3.32Å; V634-F636 HydrophobicContact CG1-CB 4.17Å; V634-F636 PolarHBondContact O-N 2.85Å; V634-W648 HydrophobicContact CG1-CH2 4.08Å; V634-W648 HydrophobicContact CG1-CZ3 3.88Å; V634-Y649 HydrophobicContact CB-CE2 4.39Å; V634-Y649 HydrophobicContact CG1-CD2 3.79Å; V634-Y649 HydrophobicContact CG1-CE2 3.9Å; V634-F652 HydrophobicContact CG1-CB 4.39Å; V634-F652 HydrophobicContact CG1-CD1 4.19Å; V634-F652 HydrophobicContact CG1-CD2 3.78Å; V634-F652 HydrophobicContact CG1-CE1 4.48Å; V634-F652 HydrophobicContact CG1-CE2 4.12Å; V634-F652 HydrophobicContact CG1-CG 3.84Å; V634-F652 HydrophobicContact CG1-CZ 4.44Å; V634-F652 HydrophobicContact CG2-CB 4.22Å; V634-F652 HydrophobicContact CG2-CD1 4.2Å; V634-F652 HydrophobicContact CG2-CG 4.19Å; V634-E666 WeakPolarHBondContact CB-OE2 3.25Å; V634-E666 HydrophobicContact CG2-CB 3.99Å; V634-S668 PolarHBondContact N-OG 3.44Å
635Q97.1Very high94.3Very high42 Ų4255.4 Ų55.420%0.19629%0.29CS..  trans52.247.4-178.8-57.8-173.70.200112.9T630 E633 N638 N641 S668 N670T630-Q635 HydrophobicContact CG2-CG 4.24Å; E633-Q635 HydrophobicContact CB-CG 3.83Å; E633-Q635 PolarHBondContact OE2-NE2 3.41Å; Q635-N638 WeakPolarHBondContact CA-OD1 2.87Å; Q635-N638 WeakPolarHBondContact CB-OD1 2.88Å; Q635-N638 PolarHBondContact O-OD1 2.84Å; Q635-N641 WeakPolarHBondContact O-CB 3.33Å; Q635-N641 PolarHBondContact O-ND2 3.05Å; Q635-N641 VanDerWaalsContact O-ND2 3.1Å; Q635-S668 PolarHBondContact N-OG 3.29Å; Q635-N670 PolarHBondContact NE2-ND2 3.45Å
636F97.9Very high94.3Very high0 Ų051.7 Ų51.70%027%0.271CS..  trans-78-54.5180-179-119.8000111.8W573 V634 N638 Y642 G645 W648 Y649 Y671 L684W573-F636 AromaticContact CD1-CZ 3.82Å; V634-F636 VanDerWaalsContact C-N 3.32Å; V634-F636 HydrophobicContact CG1-CB 4.17Å; V634-F636 PolarHBondContact O-N 2.85Å; F636-N638 PolarHBondContact O-N 3.31Å; F636-Y642 HydrophobicContact CD1-CD2 4.01Å; F636-Y642 HydrophobicContact CD1-CE2 4.41Å; F636-Y642 HydrophobicContact CD2-CD2 4.48Å; F636-Y642 AromaticContact CE1-CD2 3.59Å; F636-Y642 HydrophobicContact CE1-CD2 3.59Å; F636-Y642 AromaticContact CE1-CE2 3.73Å; F636-Y642 HydrophobicContact CE1-CE2 3.73Å; F636-Y642 HydrophobicContact CE2-CD2 4.14Å; F636-Y642 HydrophobicContact CG-CD2 4.43Å; F636-Y642 AromaticContact CZ-CD2 3.68Å; F636-Y642 HydrophobicContact CZ-CD2 3.68Å; F636-Y642 HydrophobicContact CZ-CE2 4.01Å; F636-Y642 WeakPolarHBondContact O-CA 3.23Å; F636-Y642 VanDerWaalsContact O-CB 3.3Å; F636-Y642 WeakPolarHBondContact O-CB 3.34Å; F636-Y642 PolarHBondContact O-N 3.06Å; F636-G645 WeakPolarHBondContact CE2-O 3.45Å; F636-W648 HydrophobicContact CB-CZ3 4.15Å; F636-W648 AromaticContact CD2-CE3 3.63Å; F636-W648 HydrophobicContact CD2-CE3 3.63Å; F636-W648 AromaticContact CD2-CZ3 3.66Å; F636-W648 HydrophobicContact CD2-CZ3 3.66Å; F636-W648 HydrophobicContact CE2-CE3 4.11Å; F636-W648 HydrophobicContact CG-CZ3 4.34Å; F636-Y649 HydrophobicContact CB-CD2 3.41Å; F636-Y649 VanDerWaalsContact CB-CD2 3.41Å; F636-Y649 HydrophobicContact CB-CE2 3.59Å; F636-Y649 HydrophobicContact CB-CG 4.3Å; F636-Y649 HydrophobicContact CD1-CD1 4.06Å; F636-Y649 AromaticContact CD1-CD2 3.56Å; F636-Y649 HydrophobicContact CD1-CD2 3.56Å; F636-Y649 HydrophobicContact CD1-CE1 4.38Å; F636-Y649 AromaticContact CD1-CE2 3.92Å; F636-Y649 HydrophobicContact CD1-CE2 3.92Å; F636-Y649 AromaticContact CD1-CG 3.6Å; F636-Y649 HydrophobicContact CD1-CG 3.6Å; F636-Y649 HydrophobicContact CD2-CD2 4.06Å; F636-Y649 HydrophobicContact CD2-CG 4.24Å; F636-Y649 HydrophobicContact CE1-CD1 4.18Å; F636-Y649 HydrophobicContact CE1-CD2 4.31Å; F636-Y649 AromaticContact CE1-CG 3.89Å; F636-Y649 HydrophobicContact CE1-CG 3.89Å; F636-Y649 HydrophobicContact CE2-CG 4.47Å; F636-Y649 AromaticContact CG-CD2 3.41Å; F636-Y649 HydrophobicContact CG-CD2 3.41Å; F636-Y649 VanDerWaalsContact CG-CD2 3.41Å; F636-Y649 AromaticContact CG-CE2 3.95Å; F636-Y649 HydrophobicContact CG-CE2 3.95Å; F636-Y649 AromaticContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CZ-CG 4.31Å; F636-Y671 PolarHBondContact N-OH 3.17Å; F636-L684 HydrophobicContact CE1-CD2 3.76Å
637F98.3Very high94.2Very high0 Ų048.6 Ų48.60%025%0.249CC..THydrogen-bonded Turntrans-76.2-20.8-168.2-61.9-65.8000115.2L599 Y642 Y649 Y671 A677 R680 A681 L684 I685L599-F637 HydrophobicContact CD1-CD2 4.41Å; L599-F637 HydrophobicContact CD1-CE2 4.14Å; L599-F637 HydrophobicContact CD2-CE2 4.45Å; F637-Y642 HydrophobicContact CD1-CD2 4.06Å; F637-Y642 AromaticContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CE1-CE2 4.21Å; F637-Y649 HydrophobicContact CE2-CE1 4.41Å; F637-Y649 AromaticContact CE2-CZ 3.91Å; F637-Y649 WeakPolarHBondContact CE2-OH 3.19Å; F637-Y649 HydrophobicContact CZ-CE1 4.12Å; F637-Y671 HydrophobicContact CB-CD1 4.37Å; F637-Y671 HydrophobicContact CB-CE1 3.93Å; F637-Y671 HydrophobicContact CD2-CD2 4.34Å; F637-Y671 HydrophobicContact CD2-CE1 4.34Å; F637-Y671 AromaticContact CD2-CE2 3.59Å; F637-Y671 HydrophobicContact CD2-CE2 3.59Å; F637-Y671 AromaticContact CD2-CZ 3.58Å; F637-Y671 HydrophobicContact CE2-CE2 4.35Å; F637-Y671 PolarHBondContact N-OH 3.01Å; F637-A677 HydrophobicContact CB-CB 3.87Å; F637-R680 HydrophobicContact CB-CB 4.43Å; F637-R680 HydrophobicContact CD1-CB 3.79Å; F637-R680 WeakPolarHBondContact O-CD 3.47Å; F637-R680 PolarHBondContact O-NH1 2.87Å; F637-A681 HydrophobicContact CD1-CB 4.31Å; F637-A681 HydrophobicContact CD2-CB 4.08Å; F637-A681 HydrophobicContact CE1-CB 4.32Å; F637-A681 HydrophobicContact CE2-CB 4.12Å; F637-A681 HydrophobicContact CG-CB 4.19Å; F637-A681 HydrophobicContact CZ-CB 4.23Å; F637-L684 HydrophobicContact CE1-CB 4.17Å; F637-L684 HydrophobicContact CE1-CD2 3.98Å; F637-L684 HydrophobicContact CZ-CB 4.47Å; F637-L684 HydrophobicContact CZ-CD2 4.07Å; F637-I685 HydrophobicContact CE2-CD1 4.02Å; F637-I685 HydrophobicContact CZ-CD1 3.98Å; F637-I685 HydrophobicContact CZ-CG1 4.15Å
638N94.8Very high94.3Very high44 Ų4450.7 Ų50.724%0.23526%0.255CS..THydrogen-bonded Turntrans-931-169.767.5-73.9000116.1Q635 F636 N670 Y671Q635-N638 WeakPolarHBondContact CA-OD1 2.87Å; Q635-N638 WeakPolarHBondContact CB-OD1 2.88Å; Q635-N638 PolarHBondContact O-OD1 2.84Å; F636-N638 PolarHBondContact O-N 3.31Å; N638-N670 HydrophobicContact CB-CB 4.46Å; N638-Y671 HydrophobicContact CB-CD1 3.87Å; N638-Y671 HydrophobicContact CB-CE1 4.22Å; N638-Y671 VanDerWaalsContact OD1-CE1 3.27Å; N638-Y671 WeakPolarHBondContact OD1-CE1 3.43Å
639G91.3Very high94.5Very high21 Ų2144.8 Ų44.822%0.21622%0.216CC..SBendtrans-175.4-147.3-175.500000114.6N641 Y642G639-N641 VanDerWaalsContact C-N 3.26Å; G639-N641 PolarHBondContact O-N 2Å; G639-Y642 VanDerWaalsContact O-CB 3.25Å; G639-Y642 WeakPolarHBondContact O-CB 3.3Å; G639-Y642 PolarHBondContact O-N 3.47Å; G639-Y642 VanDerWaalsContact O-N 3.11Å
640N93.4Very high94.6Very high142 Ų14236.6 Ų36.676%0.75918%0.181SC*.G310 helixtrans-65-24.4-166.8-67.37.2000114.7Y642 H643N640-Y642 PolarHBondContact O-N 3.34Å; N640-H643 PolarHBondContact O-N 3.38Å
641N95.9Very high94.6Very high36 Ų3639.1 Ų39.119%0.19320%0.2CC..G310 helixtrans-61.4-26.1176.5-74.2-31.7000112.3Q635 G639 H643 K644 W648Q635-N641 WeakPolarHBondContact O-CB 3.33Å; Q635-N641 PolarHBondContact O-ND2 3.05Å; Q635-N641 VanDerWaalsContact O-ND2 3.1Å; G639-N641 VanDerWaalsContact C-N 3.26Å; G639-N641 PolarHBondContact O-N 2Å; N641-H643 PolarHBondContact O-N 3.39Å; N641-K644 VanDerWaalsContact O-CB 3.3Å; N641-K644 WeakPolarHBondContact O-CB 3.39Å; N641-K644 PolarHBondContact O-N 3.2Å; N641-K644 VanDerWaalsContact O-N 3.11Å; N641-K644 WeakPolarHBondContact OD1-CE 3.43Å; N641-K644 PolarHBondContact OD1-NZ 3.12Å; N641-W648 HydrophobicContact CB-CE3 4.38Å; N641-W648 HydrophobicContact CB-CH2 3.62Å; N641-W648 HydrophobicContact CB-CZ2 4.28Å; N641-W648 HydrophobicContact CB-CZ3 3.69Å; N641-W648 VanDerWaalsContact CG-CH2 3.5Å
642Y96.8Very high94.8Very high0 Ų033.2 Ų33.20%017%0.174CC..G310 helixtrans-56.9-37178.4-168.2-109.6000113.2P571 W573 F636 F637 G639 N640 K644 G645 R680P571-Y642 VanDerWaalsContact O-CE1 3.29Å; P571-Y642 WeakPolarHBondContact O-CE1 3.43Å; W573-Y642 AromaticContact CD1-CE1 3.69Å; W573-Y642 AromaticContact CD1-CE2 3.42Å; W573-Y642 VanDerWaalsContact CD1-CE2 3.42Å; W573-Y642 AromaticContact CD1-CZ 3.24Å; W573-Y642 HydrophobicContact CG-CE1 4.41Å; W573-Y642 HydrophobicContact CG-CE2 4.35Å; W573-Y642 AromaticContact CG-CZ 3.9Å; W573-Y642 PolarHBondContact N-OH 3.16Å; W573-Y642 AromaticContact NE1-CE1 3.78Å; W573-Y642 AromaticContact NE1-CZ 3.83Å; W573-Y642 PolarHBondContact NE1-O 3.41Å; F636-Y642 HydrophobicContact CD1-CD2 4.01Å; F636-Y642 HydrophobicContact CD1-CE2 4.41Å; F636-Y642 HydrophobicContact CD2-CD2 4.48Å; F636-Y642 AromaticContact CE1-CD2 3.59Å; F636-Y642 HydrophobicContact CE1-CD2 3.59Å; F636-Y642 AromaticContact CE1-CE2 3.73Å; F636-Y642 HydrophobicContact CE1-CE2 3.73Å; F636-Y642 HydrophobicContact CE2-CD2 4.14Å; F636-Y642 HydrophobicContact CG-CD2 4.43Å; F636-Y642 AromaticContact CZ-CD2 3.68Å; F636-Y642 HydrophobicContact CZ-CD2 3.68Å; F636-Y642 HydrophobicContact CZ-CE2 4.01Å; F636-Y642 WeakPolarHBondContact O-CA 3.23Å; F636-Y642 VanDerWaalsContact O-CB 3.3Å; F636-Y642 WeakPolarHBondContact O-CB 3.34Å; F636-Y642 PolarHBondContact O-N 3.06Å; F637-Y642 HydrophobicContact CD1-CD2 4.06Å; F637-Y642 AromaticContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CD1-CE2 3.85Å; F637-Y642 HydrophobicContact CE1-CE2 4.21Å; G639-Y642 VanDerWaalsContact O-CB 3.25Å; G639-Y642 WeakPolarHBondContact O-CB 3.3Å; G639-Y642 PolarHBondContact O-N 3.47Å; G639-Y642 VanDerWaalsContact O-N 3.11Å; N640-Y642 PolarHBondContact O-N 3.34Å; Y642-K644 PolarHBondContact O-N 3.04Å; Y642-G645 PolarHBondContact O-N 3.33Å; Y642-R680 HydrophobicContact CD1-CG 4.43Å; Y642-R680 HydrophobicContact CD2-CB 4.34Å; Y642-R680 HydrophobicContact CD2-CG 4.45Å; Y642-R680 HydrophobicContact CE1-CG 3.91Å; Y642-R680 HydrophobicContact CE2-CB 3.69Å; Y642-R680 HydrophobicContact CE2-CG 3.94Å
643H94.8Very high94.9Very high59 Ų5931.9 Ų31.927%0.27317%0.167SC..G310 helixtrans-73.5-11.1-177.1-56-85.1000113.2H466 D570 N640 N641 G645H466-H643 PolarHBondContact CE1-O 3.4Å; H466-H643 PolarHBondContact ND1-O 3.17Å; D570-H643 IonicContact OD1-CE1 2.76Å; D570-H643 PolarHBondContact OD1-CE1 3.08Å; D570-H643 VanDerWaalsContact OD1-CE1 3.24Å; D570-H643 IonicContact OD1-ND1 3.55Å; D570-H643 IonicContact OD2-CE1 2.81Å; N640-H643 PolarHBondContact O-N 3.38Å; N641-H643 PolarHBondContact O-N 3.39Å; H643-G645 PolarHBondContact O-N 3.08Å
644K94.3Very high94.6Very high92 Ų9233 Ų3340%0.418%0.177SC..G310 helixtrans-72.8-9.3173.2-59.4177.3176.8167.30113N641 Y642 W648N641-K644 VanDerWaalsContact O-CB 3.3Å; N641-K644 WeakPolarHBondContact O-CB 3.39Å; N641-K644 PolarHBondContact O-N 3.2Å; N641-K644 VanDerWaalsContact O-N 3.11Å; N641-K644 WeakPolarHBondContact OD1-CE 3.43Å; N641-K644 PolarHBondContact OD1-NZ 3.12Å; Y642-K644 PolarHBondContact O-N 3.04Å; K644-W648 HydrophobicContact CB-CB 3.62Å; K644-W648 HydrophobicContact CB-CD2 3.97Å; K644-W648 HydrophobicContact CB-CG 3.56Å; K644-W648 HydrophobicContact CD-CD2 3.68Å; K644-W648 HydrophobicContact CD-CE3 4.46Å; K644-W648 HydrophobicContact CD-CG 3.74Å; K644-W648 HydrophobicContact CD-CZ2 4.15Å; K644-W648 HydrophobicContact CG-CD2 4.49Å; K644-W648 HydrophobicContact CG-CG 4.33Å
645G94.6Very high93.8Very high1 Ų138 Ų381%0.0121%0.207CC..Hα-helixtrans87.9173.5172.900000114.4F636 Y642 H643 D647 W648 Y649F636-G645 WeakPolarHBondContact CE2-O 3.45Å; Y642-G645 PolarHBondContact O-N 3.33Å; H643-G645 PolarHBondContact O-N 3.08Å; G645-D647 VanDerWaalsContact C-N 3.32Å; G645-D647 PolarHBondContact O-N 3.44Å; G645-W648 PolarHBondContact O-N 3.49Å; G645-Y649 PolarHBondContact O-N 2.82Å
646I94.6Very high92.5Very high11 Ų1137.1 Ų37.16%0.05621%0.205CC..Hα-helixtrans-64.1-37.7-175.4-54.6173.5000110.9W573 P576 W648 Y649 M650 L684W573-I646 HydrophobicContact CB-CD1 3.89Å; W573-I646 HydrophobicContact CB-CG1 3.75Å; W573-I646 HydrophobicContact CD2-CG1 4.26Å; W573-I646 HydrophobicContact CG-CD1 4.35Å; W573-I646 HydrophobicContact CG-CG1 3.82Å; P576-I646 HydrophobicContact CG-CD1 3.89Å; I646-W648 VanDerWaalsContact C-N 3.32Å; I646-W648 PolarHBondContact O-N 3.09Å; I646-Y649 WeakPolarHBondContact O-CA 3.38Å; I646-Y649 WeakPolarHBondContact O-CB 3.46Å; I646-Y649 PolarHBondContact O-N 2.93Å; I646-M650 HydrophobicContact CG2-CG 4Å; I646-M650 HydrophobicContact CG2-SD 3.74Å; I646-M650 WeakPolarHBondContact O-CG 3.38Å; I646-M650 PolarHBondContact O-N 2.99Å; I646-L684 HydrophobicContact CD1-CD1 3.88Å; I646-L684 HydrophobicContact CG1-CD1 4.06Å; I646-L684 HydrophobicContact CG2-CD1 4.17Å
647D91.7Very high91Very high33 Ų3340 Ų4018%0.17623%0.225CC..Hα-helixtrans-60.6-41.9-179.7-66.9-1.3000112.1V432 K590 G645 Y649 M650 S651V432-D647 HydrophobicContact CG2-CB 4.11Å; K590-D647 VanDerWaalsContact CE-OD1 3.26Å; K590-D647 WeakPolarHBondContact CE-OD1 3.27Å; K590-D647 WeakPolarHBondContact CE-OD2 3.44Å; K590-D647 IonicContact NZ-OD1 3.5Å; K590-D647 PolarHBondContact NZ-OD1 2.9Å; K590-D647 IonicContact NZ-OD2 3.1Å; K590-D647 PolarHBondContact NZ-OD2 3.29Å; G645-D647 VanDerWaalsContact C-N 3.32Å; G645-D647 PolarHBondContact O-N 3.44Å; D647-Y649 VanDerWaalsContact C-N 3.32Å; D647-Y649 PolarHBondContact O-N 3.26Å; D647-M650 PolarHBondContact O-N 3.39Å; D647-S651 PolarHBondContact O-N 3.23Å
648W94.2Very high89.1Confident57 Ų5748.5 Ų48.522%0.21627%0.27CS..Hα-helixtrans-60.4-44.3174.1-177.983.3000110.9V634 F636 N641 K644 G645 I646 S651 F652V634-W648 HydrophobicContact CG1-CH2 4.08Å; V634-W648 HydrophobicContact CG1-CZ3 3.88Å; F636-W648 HydrophobicContact CB-CZ3 4.15Å; F636-W648 AromaticContact CD2-CE3 3.63Å; F636-W648 HydrophobicContact CD2-CE3 3.63Å; F636-W648 AromaticContact CD2-CZ3 3.66Å; F636-W648 HydrophobicContact CD2-CZ3 3.66Å; F636-W648 HydrophobicContact CE2-CE3 4.11Å; F636-W648 HydrophobicContact CG-CZ3 4.34Å; N641-W648 HydrophobicContact CB-CE3 4.38Å; N641-W648 HydrophobicContact CB-CH2 3.62Å; N641-W648 HydrophobicContact CB-CZ2 4.28Å; N641-W648 HydrophobicContact CB-CZ3 3.69Å; N641-W648 VanDerWaalsContact CG-CH2 3.5Å; K644-W648 HydrophobicContact CB-CB 3.62Å; K644-W648 HydrophobicContact CB-CD2 3.97Å; K644-W648 HydrophobicContact CB-CG 3.56Å; K644-W648 HydrophobicContact CD-CD2 3.68Å; K644-W648 HydrophobicContact CD-CE3 4.46Å; K644-W648 HydrophobicContact CD-CG 3.74Å; K644-W648 HydrophobicContact CD-CZ2 4.15Å; K644-W648 HydrophobicContact CG-CD2 4.49Å; K644-W648 HydrophobicContact CG-CG 4.33Å; G645-W648 PolarHBondContact O-N 3.49Å; I646-W648 VanDerWaalsContact C-N 3.32Å; I646-W648 PolarHBondContact O-N 3.09Å; W648-S651 PolarHBondContact O-N 3.2Å; W648-S651 PolarHBondContact O-OG 3.44Å; W648-F652 AromaticContact CD2-CE2 3.82Å; W648-F652 HydrophobicContact CD2-CE2 3.82Å; W648-F652 AromaticContact CE2-CE2 3.47Å; W648-F652 VanDerWaalsContact CE2-CE2 3.47Å; W648-F652 AromaticContact CE2-CZ 3.98Å; W648-F652 HydrophobicContact CE3-CD2 4.47Å; W648-F652 AromaticContact CE3-CE2 3.94Å; W648-F652 HydrophobicContact CE3-CE2 3.94Å; W648-F652 HydrophobicContact CH2-CD2 4.39Å; W648-F652 AromaticContact CH2-CE2 3.46Å; W648-F652 HydrophobicContact CH2-CE2 3.46Å; W648-F652 VanDerWaalsContact CH2-CE2 3.46Å; W648-F652 AromaticContact CH2-CZ 3.73Å; W648-F652 HydrophobicContact CH2-CZ 3.73Å; W648-F652 AromaticContact CZ2-CE2 3.33Å; W648-F652 HydrophobicContact CZ2-CE2 3.33Å; W648-F652 AromaticContact CZ2-CZ 3.47Å; W648-F652 HydrophobicContact CZ2-CZ 3.47Å; W648-F652 VanDerWaalsContact CZ2-CZ 3.47Å; W648-F652 HydrophobicContact CZ3-CD2 4.34Å; W648-F652 AromaticContact CZ3-CE2 3.75Å; W648-F652 HydrophobicContact CZ3-CE2 3.75Å; W648-F652 HydrophobicContact CZ3-CZ 4.45Å; W648-F652 WeakPolarHBondContact O-CD2 3.41Å; W648-F652 WeakPolarHBondContact O-CE2 3.49Å
649Y95.7Very high87.5Confident0 Ų050.2 Ų50.20%028%0.282CS..Hα-helixtrans-64.1-47.6177.5-174.3-123.8000112.6L595 P596 V634 F636 F637 G645 I646 D647 S651 F652 F653 E666 L684L595-Y649 HydrophobicContact CD2-CD1 4.04Å; L595-Y649 HydrophobicContact CD2-CE1 4.21Å; P596-Y649 HydrophobicContact CG-CE1 4Å; P596-Y649 WeakPolarHBondContact CG-OH 3.42Å; V634-Y649 HydrophobicContact CB-CE2 4.39Å; V634-Y649 HydrophobicContact CG1-CD2 3.79Å; V634-Y649 HydrophobicContact CG1-CE2 3.9Å; F636-Y649 HydrophobicContact CB-CD2 3.41Å; F636-Y649 VanDerWaalsContact CB-CD2 3.41Å; F636-Y649 HydrophobicContact CB-CE2 3.59Å; F636-Y649 HydrophobicContact CB-CG 4.3Å; F636-Y649 HydrophobicContact CD1-CD1 4.06Å; F636-Y649 AromaticContact CD1-CD2 3.56Å; F636-Y649 HydrophobicContact CD1-CD2 3.56Å; F636-Y649 HydrophobicContact CD1-CE1 4.38Å; F636-Y649 AromaticContact CD1-CE2 3.92Å; F636-Y649 HydrophobicContact CD1-CE2 3.92Å; F636-Y649 AromaticContact CD1-CG 3.6Å; F636-Y649 HydrophobicContact CD1-CG 3.6Å; F636-Y649 HydrophobicContact CD2-CD2 4.06Å; F636-Y649 HydrophobicContact CD2-CG 4.24Å; F636-Y649 HydrophobicContact CE1-CD1 4.18Å; F636-Y649 HydrophobicContact CE1-CD2 4.31Å; F636-Y649 AromaticContact CE1-CG 3.89Å; F636-Y649 HydrophobicContact CE1-CG 3.89Å; F636-Y649 HydrophobicContact CE2-CG 4.47Å; F636-Y649 AromaticContact CG-CD2 3.41Å; F636-Y649 HydrophobicContact CG-CD2 3.41Å; F636-Y649 VanDerWaalsContact CG-CD2 3.41Å; F636-Y649 AromaticContact CG-CE2 3.95Å; F636-Y649 HydrophobicContact CG-CE2 3.95Å; F636-Y649 AromaticContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CG-CG 3.8Å; F636-Y649 HydrophobicContact CZ-CG 4.31Å; F637-Y649 HydrophobicContact CE2-CE1 4.41Å; F637-Y649 AromaticContact CE2-CZ 3.91Å; F637-Y649 WeakPolarHBondContact CE2-OH 3.19Å; F637-Y649 HydrophobicContact CZ-CE1 4.12Å; G645-Y649 PolarHBondContact O-N 2.82Å; I646-Y649 WeakPolarHBondContact O-CA 3.38Å; I646-Y649 WeakPolarHBondContact O-CB 3.46Å; I646-Y649 PolarHBondContact O-N 2.93Å; D647-Y649 VanDerWaalsContact C-N 3.32Å; D647-Y649 PolarHBondContact O-N 3.26Å; Y649-S651 PolarHBondContact O-N 2.73Å; Y649-F652 WeakPolarHBondContact O-CB 3.44Å; Y649-F652 PolarHBondContact O-N 3.32Å; Y649-F652 VanDerWaalsContact O-N 3.13Å; Y649-F653 HydrophobicContact CD1-CE2 4.22Å; Y649-F653 HydrophobicContact CD2-CE2 4.12Å; Y649-F653 AromaticContact CE1-CE2 3.92Å; Y649-F653 HydrophobicContact CE1-CE2 3.92Å; Y649-F653 HydrophobicContact CE1-CZ 4.44Å; Y649-F653 AromaticContact CE2-CE2 3.82Å; Y649-F653 HydrophobicContact CE2-CE2 3.82Å; Y649-F653 HydrophobicContact CE2-CZ 4.14Å; Y649-F653 HydrophobicContact CG-CE2 4.34Å; Y649-F653 AromaticContact CZ-CE2 3.73Å; Y649-F653 AromaticContact CZ-CZ 3.93Å; Y649-F653 WeakPolarHBondContact O-CD2 3.37Å; Y649-F653 WeakPolarHBondContact O-CE2 3.32Å; Y649-E666 VanDerWaalsContact CE2-OE1 3.23Å; Y649-E666 WeakPolarHBondContact CE2-OE1 3.32Å; Y649-E666 PolarHBondContact OH-OE1 2.75Å; Y649-L684 HydrophobicContact CD1-CD2 3.97Å; Y649-L684 HydrophobicContact CE1-CD2 4.27Å
650M93.1Very high86.1Confident10 Ų1056.3 Ų56.35%0.04932%0.316CS..Hα-helixtrans-61.8-31.3179.1-70.8175.474.900112.7W586 K590 T591 H594 L595 I646 D647 F652 F653W586-M650 HydrophobicContact CH2-CE 3.48Å; W586-M650 VanDerWaalsContact CH2-CE 3.48Å; W586-M650 HydrophobicContact CH2-SD 3.73Å; W586-M650 HydrophobicContact CZ2-CE 3.82Å; W586-M650 HydrophobicContact CZ2-SD 3.52Å; W586-M650 VanDerWaalsContact CZ2-SD 3.52Å; K590-M650 HydrophobicContact CB-CE 4.28Å; T591-M650 WeakPolarHBondContact O-CE 3.29Å; H594-M650 HydrophobicContact CB-CB 4.39Å; H594-M650 HydrophobicContact CB-CE 3.69Å; H594-M650 HydrophobicContact CB-CG 4.46Å; L595-M650 HydrophobicContact CD2-CG 3.97Å; I646-M650 HydrophobicContact CG2-CG 4Å; I646-M650 HydrophobicContact CG2-SD 3.74Å; I646-M650 WeakPolarHBondContact O-CG 3.38Å; I646-M650 PolarHBondContact O-N 2.99Å; D647-M650 PolarHBondContact O-N 3.39Å; M650-F652 PolarHBondContact O-N 3.1Å; M650-F652 VanDerWaalsContact O-N 3.09Å; M650-F653 PolarHBondContact O-N 3.41Å
651S93.1Very high85Confident77 Ų7752.4 Ų52.454%0.53830%0.297SS..THydrogen-bonded Turntrans-62.6-14.8177.275.90000114.4D647 W648 Y649 F653D647-S651 PolarHBondContact O-N 3.23Å; W648-S651 PolarHBondContact O-N 3.2Å; W648-S651 PolarHBondContact O-OG 3.44Å; Y649-S651 PolarHBondContact O-N 2.73Å; S651-F653 VanDerWaalsContact C-N 3.32Å
652F95.5Very high84.5Confident20 Ų2052 Ų529%0.08830%0.295CS..THydrogen-bonded Turntrans-81-12.2172.8-75.5-91.3000113.1N624 L625 V634 W648 Y649 M650N624-F652 CarbonylContact C-O 3.34Å; N624-F652 VanDerWaalsContact CA-O 3.27Å; N624-F652 WeakPolarHBondContact CA-O 3.19Å; N624-F652 HydrophobicContact CB-CB 4.2Å; L625-F652 WeakPolarHBondContact CB-O 3.26Å; L625-F652 WeakPolarHBondContact CG-O 3.32Å; L625-F652 PolarHBondContact N-O 3.12Å; V634-F652 HydrophobicContact CG1-CB 4.39Å; V634-F652 HydrophobicContact CG1-CD1 4.19Å; V634-F652 HydrophobicContact CG1-CD2 3.78Å; V634-F652 HydrophobicContact CG1-CE1 4.48Å; V634-F652 HydrophobicContact CG1-CE2 4.12Å; V634-F652 HydrophobicContact CG1-CG 3.84Å; V634-F652 HydrophobicContact CG1-CZ 4.44Å; V634-F652 HydrophobicContact CG2-CB 4.22Å; V634-F652 HydrophobicContact CG2-CD1 4.2Å; V634-F652 HydrophobicContact CG2-CG 4.19Å; W648-F652 AromaticContact CD2-CE2 3.82Å; W648-F652 HydrophobicContact CD2-CE2 3.82Å; W648-F652 AromaticContact CE2-CE2 3.47Å; W648-F652 VanDerWaalsContact CE2-CE2 3.47Å; W648-F652 AromaticContact CE2-CZ 3.98Å; W648-F652 HydrophobicContact CE3-CD2 4.47Å; W648-F652 AromaticContact CE3-CE2 3.94Å; W648-F652 HydrophobicContact CE3-CE2 3.94Å; W648-F652 HydrophobicContact CH2-CD2 4.39Å; W648-F652 AromaticContact CH2-CE2 3.46Å; W648-F652 HydrophobicContact CH2-CE2 3.46Å; W648-F652 VanDerWaalsContact CH2-CE2 3.46Å; W648-F652 AromaticContact CH2-CZ 3.73Å; W648-F652 HydrophobicContact CH2-CZ 3.73Å; W648-F652 AromaticContact CZ2-CE2 3.33Å; W648-F652 HydrophobicContact CZ2-CE2 3.33Å; W648-F652 AromaticContact CZ2-CZ 3.47Å; W648-F652 HydrophobicContact CZ2-CZ 3.47Å; W648-F652 VanDerWaalsContact CZ2-CZ 3.47Å; W648-F652 HydrophobicContact CZ3-CD2 4.34Å; W648-F652 AromaticContact CZ3-CE2 3.75Å; W648-F652 HydrophobicContact CZ3-CE2 3.75Å; W648-F652 HydrophobicContact CZ3-CZ 4.45Å; W648-F652 WeakPolarHBondContact O-CD2 3.41Å; W648-F652 WeakPolarHBondContact O-CE2 3.49Å; Y649-F652 WeakPolarHBondContact O-CB 3.44Å; Y649-F652 PolarHBondContact O-N 3.32Å; Y649-F652 VanDerWaalsContact O-N 3.13Å; M650-F652 PolarHBondContact O-N 3.1Å; M650-F652 VanDerWaalsContact O-N 3.09Å
653F93.6Very high84.3Confident8 Ų853.6 Ų53.64%0.03530%0.303CS..SBendtrans-108.3131.5-174.5-63.3-83.1000110.5H594 P596 N624 Y649 M650 S651 L664 E666H594-F653 WeakPolarHBondContact O-CB 3.35Å; H594-F653 WeakPolarHBondContact O-CD2 3.33Å; H594-F653 VanDerWaalsContact O-CG 3.3Å; H594-F653 WeakPolarHBondContact O-CG 3.27Å; P596-F653 HydrophobicContact CB-CE1 3.79Å; P596-F653 HydrophobicContact CB-CZ 3.94Å; P596-F653 HydrophobicContact CG-CE1 3.95Å; P596-F653 HydrophobicContact CG-CE2 4.17Å; P596-F653 HydrophobicContact CG-CZ 3.56Å; N624-F653 HydrophobicContact CB-CD1 4.2Å; N624-F653 HydrophobicContact CB-CE1 3.83Å; N624-F653 HydrophobicContact CB-CZ 4.2Å; Y649-F653 HydrophobicContact CD1-CE2 4.22Å; Y649-F653 HydrophobicContact CD2-CE2 4.12Å; Y649-F653 AromaticContact CE1-CE2 3.92Å; Y649-F653 HydrophobicContact CE1-CE2 3.92Å; Y649-F653 HydrophobicContact CE1-CZ 4.44Å; Y649-F653 AromaticContact CE2-CE2 3.82Å; Y649-F653 HydrophobicContact CE2-CE2 3.82Å; Y649-F653 HydrophobicContact CE2-CZ 4.14Å; Y649-F653 HydrophobicContact CG-CE2 4.34Å; Y649-F653 AromaticContact CZ-CE2 3.73Å; Y649-F653 AromaticContact CZ-CZ 3.93Å; Y649-F653 WeakPolarHBondContact O-CD2 3.37Å; Y649-F653 WeakPolarHBondContact O-CE2 3.32Å; M650-F653 PolarHBondContact O-N 3.41Å; S651-F653 VanDerWaalsContact C-N 3.32Å; F653-L664 HydrophobicContact CB-CD1 3.96Å; F653-L664 HydrophobicContact CD1-CB 4.2Å; F653-L664 HydrophobicContact CD1-CD1 4.2Å; F653-L664 HydrophobicContact CD1-CD2 4.41Å; F653-L664 HydrophobicContact CG-CD1 4.34Å; F653-E666 HydrophobicContact CE1-CB 4.29Å; F653-E666 HydrophobicContact CZ-CB 4.04Å; F653-E666 HydrophobicContact CZ-CG 4.37Å
654P89.3Confident84.3Confident41 Ų4151 Ų5127%0.26629%0.291SS..PPolyproline II helixtrans-67153.8174.330.2-34.5000110I622 P656 L664I622-P654 HydrophobicContact CG2-CG 3.53Å; P654-P656 VanDerWaalsContact O-CD 3.25Å; P654-P656 WeakPolarHBondContact O-CD 3.42Å; P654-L664 HydrophobicContact CG-CD2 4.12Å
655T80.6Confident84.5Confident105 Ų10546.6 Ų46.664%0.64427%0.272SS*.PPolyproline II helixtrans-63.3119.9167.7-54.30000109.3H594H594-T655 PolarHBondContact CE1-OG1 2.92Å; H594-T655 VanDerWaalsContact CE1-OG1 3.3Å; H594-T655 VanDerWaalsContact NE2-CA 3.26Å; H594-T655 WeakPolarHBondContact NE2-CA 3.28Å; H594-T655 WeakPolarHBondContact NE2-CB 3.08Å; H594-T655 WeakPolarHBondContact NE2-CG2 3.2Å; H594-T655 PolarHBondContact NE2-OG1 3.33Å
656P68.8Low84.6Confident23 Ų2346.5 Ų46.515%0.14927%0.272CS..PPolyproline II helixtrans-58.3151.6177.4-27.738.7000110.8D593 P654 D662 L664D593-P656 HydrophobicContact CB-CG 3.91Å; D593-P656 WeakPolarHBondContact O-CG 3.19Å; P654-P656 VanDerWaalsContact O-CD 3.25Å; P654-P656 WeakPolarHBondContact O-CD 3.42Å; P656-D662 HydrophobicContact CB-CB 4.18Å; P656-L664 HydrophobicContact CG-CD1 4.08Å; P656-L664 HydrophobicContact CG-CG 4.36Å
657S65.9Low84.7Confident59 Ų5946.2 Ų46.241%0.41327%0.27SS..PPolyproline II helixtrans-62.2161.2171.969.80000109.6T659 D662S657-T659 PolarHBondContact O-N 3.05Å; S657-T659 WeakPolarHBondContact OG-CB 3.49Å; S657-T659 PolarHBondContact OG-OG1 3.25Å; S657-D662 WeakPolarHBondContact CB-OD2 3.48Å; S657-D662 PolarHBondContact N-OD2 2.82Å; S657-D662 PolarHBondContact OG-OD2 3.45Å
658N60.3Low85Confident179 Ų17944.6 Ų44.696%0.95726%0.261SS*.SBendtrans-62.29.8173.2-77.8-17.4000113.4
659T61Low85.2Confident80 Ų8042 Ų4249%0.49125%0.252SS..SBendtrans-94.2123.4179.9-26.40000109.4S657 T661S657-T659 PolarHBondContact O-N 3.05Å; S657-T659 WeakPolarHBondContact OG-CB 3.49Å; S657-T659 PolarHBondContact OG-OG1 3.25Å; T659-T661 PolarHBondContact O-N 3.2Å
660T60.6Low85.2Confident149 Ų14943.2 Ų43.291%0.91426%0.258SS*.THydrogen-bonded Turntrans-708-173.149.20000115.5
661T71.3Confident85.4Confident60 Ų6042.7 Ų42.737%0.36826%0.256SS..THydrogen-bonded Turntrans-102-9.9-17350.90000114.5S620 T659 L663S620-T661 WeakPolarHBondContact CB-O 3.39Å; T659-T661 PolarHBondContact O-N 3.2Å; T661-L663 PolarHBondContact O-N 3.44Å
662D85.8Confident85.7Confident28 Ų2839.1 Ų39.115%0.1523%0.231CC..  trans-72.4124.7-172.6-67.3-10.3000111.7I622 P656 S657I622-D662 HydrophobicContact CD1-CB 3.99Å; P656-D662 HydrophobicContact CB-CB 4.18Å; S657-D662 WeakPolarHBondContact CB-OD2 3.48Å; S657-D662 PolarHBondContact N-OD2 2.82Å; S657-D662 PolarHBondContact OG-OD2 3.45Å
663L92.1Very high85.7Confident34 Ų3440.9 Ų40.918%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-109.3103.8177.1-66.6179000110K597 F598 S620 I622 T661 L787 V789K597-L663 HydrophobicContact CB-CD2 4.06Å; K597-L663 HydrophobicContact CG-CD2 4Å; F598-L663 HydrophobicContact CE1-CB 4.23Å; S620-L663 PolarHBondContact O-N 3.28Å; I622-L663 PolarHBondContact N-O 3.04Å; T661-L663 PolarHBondContact O-N 3.44Å; L663-L787 HydrophobicContact CD1-CB 4.3Å; L663-V789 HydrophobicContact CD1-CB 3.77Å; L663-V789 HydrophobicContact CD1-CG2 3.78Å
664L94.8Very high85.9Confident3 Ų341.2 Ų41.22%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-73141.3172.3-67.5178.7000111.4D593 P596 K597 I622 F653 P654 P656D593-L664 WeakPolarHBondContact O-CD1 3.41Å; P596-L664 CarbonylContact C-O 3.55Å; P596-L664 WeakPolarHBondContact CA-O 3.38Å; P596-L664 HydrophobicContact CB-CB 4.47Å; K597-L664 PolarHBondContact N-O 2.9Å; I622-L664 HydrophobicContact CB-CD2 3.89Å; I622-L664 HydrophobicContact CG2-CD2 3.82Å; I622-L664 CarbonylContact O-C 3.53Å; I622-L664 VanDerWaalsContact O-CA 3.26Å; I622-L664 WeakPolarHBondContact O-CA 3.27Å; F653-L664 HydrophobicContact CB-CD1 3.96Å; F653-L664 HydrophobicContact CD1-CB 4.2Å; F653-L664 HydrophobicContact CD1-CD1 4.2Å; F653-L664 HydrophobicContact CD1-CD2 4.41Å; F653-L664 HydrophobicContact CG-CD1 4.34Å; P654-L664 HydrophobicContact CG-CD2 4.12Å; P656-L664 HydrophobicContact CG-CD1 4.08Å; P656-L664 HydrophobicContact CG-CG 4.36Å
665F97.3Very high86.2Confident0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-146.4160.6173.181.8-75.7000113F598 V600 Y612 L615 L616 I621 I622 S623 N624F598-F665 HydrophobicContact CD1-CB 3.71Å; F598-F665 HydrophobicContact CD2-CB 3.67Å; F598-F665 HydrophobicContact CD2-CD2 4.46Å; F598-F665 HydrophobicContact CD2-CG 4.31Å; F598-F665 HydrophobicContact CE1-CB 3.41Å; F598-F665 VanDerWaalsContact CE1-CB 3.41Å; F598-F665 HydrophobicContact CE1-CD1 4.28Å; F598-F665 HydrophobicContact CE1-CG 4Å; F598-F665 HydrophobicContact CE2-CB 3.36Å; F598-F665 HydrophobicContact CE2-CD1 4.33Å; F598-F665 AromaticContact CE2-CD2 3.67Å; F598-F665 HydrophobicContact CE2-CD2 3.67Å; F598-F665 AromaticContact CE2-CG 3.54Å; F598-F665 HydrophobicContact CE2-CG 3.54Å; F598-F665 HydrophobicContact CG-CB 3.84Å; F598-F665 HydrophobicContact CZ-CB 3.22Å; F598-F665 AromaticContact CZ-CD1 3.73Å; F598-F665 HydrophobicContact CZ-CD1 3.73Å; F598-F665 AromaticContact CZ-CD2 3.93Å; F598-F665 HydrophobicContact CZ-CD2 3.93Å; F598-F665 AromaticContact CZ-CG 3.35Å; F598-F665 HydrophobicContact CZ-CG 3.35Å; F598-F665 WeakPolarHBondContact O-CA 3.47Å; F598-F665 WeakPolarHBondContact O-CB 3.33Å; V600-F665 HydrophobicContact CG2-CD2 4.36Å; Y612-F665 AromaticContact CD2-CE2 3.8Å; Y612-F665 HydrophobicContact CD2-CE2 3.8Å; Y612-F665 AromaticContact CD2-CZ 3.92Å; Y612-F665 HydrophobicContact CD2-CZ 3.92Å; Y612-F665 HydrophobicContact CE2-CE2 4.36Å; Y612-F665 HydrophobicContact CE2-CZ 4.24Å; L615-F665 HydrophobicContact CB-CE1 4.11Å; L615-F665 HydrophobicContact CB-CE2 4.27Å; L615-F665 HydrophobicContact CB-CZ 3.71Å; L615-F665 HydrophobicContact CD1-CD2 4.1Å; L615-F665 HydrophobicContact CD1-CE2 3.63Å; L615-F665 HydrophobicContact CD1-CZ 3.96Å; L615-F665 HydrophobicContact CG-CZ 4.49Å; L616-F665 HydrophobicContact CD2-CE1 4.4Å; I621-F665 HydrophobicContact CG2-CD1 3.41Å; I621-F665 VanDerWaalsContact CG2-CD1 3.41Å; I621-F665 HydrophobicContact CG2-CE1 3.45Å; I621-F665 VanDerWaalsContact CG2-CE1 3.45Å; I621-F665 HydrophobicContact CG2-CG 4.43Å; I621-F665 HydrophobicContact CG2-CZ 4.47Å; I622-F665 WeakPolarHBondContact O-CD1 3.46Å; I622-F665 PolarHBondContact O-N 3.38Å; S623-F665 WeakPolarHBondContact CA-O 3.34Å; N624-F665 PolarHBondContact N-O 2.89Å; N624-F665 VanDerWaalsContact N-O 3.09Å
666E97.3Very high87Confident0 Ų044.6 Ų44.60%025%0.247CC..EExtended strand (participates in β ladder)trans-127.5160.7163.566.4148.5143.800111.4L599 V600 N624 V634 Y649 F653 S668 Y671L599-E666 HydrophobicContact CD2-CG 3.41Å; L599-E666 VanDerWaalsContact CD2-CG 3.41Å; V600-E666 PolarHBondContact N-O 3.26Å; N624-E666 HydrophobicContact CB-CB 4.46Å; N624-E666 WeakPolarHBondContact OD1-CA 3.27Å; N624-E666 WeakPolarHBondContact OD1-CB 3.44Å; V634-E666 WeakPolarHBondContact CB-OE2 3.25Å; V634-E666 HydrophobicContact CG2-CB 3.99Å; Y649-E666 VanDerWaalsContact CE2-OE1 3.23Å; Y649-E666 WeakPolarHBondContact CE2-OE1 3.32Å; Y649-E666 PolarHBondContact OH-OE1 2.75Å; F653-E666 HydrophobicContact CE1-CB 4.29Å; F653-E666 HydrophobicContact CZ-CB 4.04Å; F653-E666 HydrophobicContact CZ-CG 4.37Å; E666-S668 PolarHBondContact OE2-OG 3.3Å; E666-Y671 VanDerWaalsContact CD-OH 3.27Å; E666-Y671 VanDerWaalsContact OE1-CE2 3.25Å; E666-Y671 WeakPolarHBondContact OE1-CE2 3.42Å; E666-Y671 PolarHBondContact OE1-OH 3.27Å; E666-Y671 PolarHBondContact OE2-OH 3.18Å; E666-Y671 VanDerWaalsContact OE2-OH 3.05Å
667K97.5Very high88.4Confident4 Ų443.5 Ų43.52%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-122.8122.8171.1173.2-81.7-158.2168.80108.6V600 T608 T609 Y612 E632 E633V600-K667 HydrophobicContact CB-CB 3.88Å; V600-K667 HydrophobicContact CB-CG 3.93Å; V600-K667 HydrophobicContact CG1-CB 4.41Å; V600-K667 HydrophobicContact CG1-CG 3.9Å; V600-K667 WeakPolarHBondContact O-CA 3.18Å; T608-K667 WeakPolarHBondContact OG1-CE 3.44Å; T609-K667 PolarHBondContact OG1-NZ 2.91Å; Y612-K667 HydrophobicContact CD2-CB 3.97Å; E632-K667 HydrophobicContact CG-CD 4.3Å; E632-K667 IonicContact OE1-NZ 3.56Å; E632-K667 PolarHBondContact OE1-NZ 3.21Å; E633-K667 VanDerWaalsContact CA-O 3.26Å; E633-K667 WeakPolarHBondContact CA-O 3.3Å; E633-K667 WeakPolarHBondContact CB-O 3.48Å; E633-K667 HydrophobicContact CG-CD 3.95Å; E633-K667 WeakPolarHBondContact CG-O 3.4Å; E633-K667 WeakPolarHBondContact OE1-CE 3.41Å; E633-K667 IonicContact OE1-NZ 2.86Å; E633-K667 PolarHBondContact OE1-NZ 3.13Å
668S98.2Very high89.9Confident0 Ų040.7 Ų40.70%022%0.221CC..  trans-14398.4175.9-73.80000109.5V600 I601 V634 Q635 E666 N670 Y671V600-S668 PolarHBondContact O-N 2.81Å; I601-S668 CarbonylContact C-O 3.41Å; I601-S668 VanDerWaalsContact O-O 3.07Å; V634-S668 PolarHBondContact N-OG 3.44Å; Q635-S668 PolarHBondContact N-OG 3.29Å; E666-S668 PolarHBondContact OE2-OG 3.3Å; S668-N670 PolarHBondContact O-N 2.87Å; S668-N670 VanDerWaalsContact O-N 3.08Å; S668-Y671 VanDerWaalsContact CB-CE1 3.46Å; S668-Y671 VanDerWaalsContact CB-CE2 3.46Å; S668-Y671 WeakPolarHBondContact O-CB 3.43Å; S668-Y671 PolarHBondContact O-N 2.95Å
669A97.3Very high91.7Very high2 Ų236 Ų362%0.01719%0.19CC..THydrogen-bonded Turntrans-69.8-12.1-168.500000114.5I601 Q604 T608 E633 Y671I601-A669 CarbonylContact O-C 3.58Å; I601-A669 WeakPolarHBondContact O-CA 3.32Å; Q604-A669 HydrophobicContact CB-CB 4.34Å; Q604-A669 HydrophobicContact CG-CB 3.6Å; T608-A669 HydrophobicContact CG2-CB 4.31Å; E633-A669 PolarHBondContact OE1-N 2.89Å; A669-Y671 VanDerWaalsContact C-N 3.3Å
670N95.6Very high93.4Very high25 Ų2532.7 Ų32.713%0.13417%0.168CC..THydrogen-bonded Turntrans-79-10.7174.1-69.9-25000113.2Q604 Q635 N638 S668Q604-N670 PolarHBondContact NE2-OD1 3.15Å; Q635-N670 PolarHBondContact NE2-ND2 3.45Å; N638-N670 HydrophobicContact CB-CB 4.46Å; S668-N670 PolarHBondContact O-N 2.87Å; S668-N670 VanDerWaalsContact O-N 3.08Å
671Y98.6Very high95.2Very high0 Ų025.6 Ų25.60%013%0.125CC..THydrogen-bonded Turntrans-67.5-39.2179-70.1-2.9000111.7L599 I601 F636 F637 N638 E666 S668 A669 H673 S674 A677L599-Y671 HydrophobicContact CD1-CD2 4.45Å; L599-Y671 HydrophobicContact CD1-CE2 4.48Å; I601-Y671 HydrophobicContact CG2-CD2 4.27Å; F636-Y671 PolarHBondContact N-OH 3.17Å; F637-Y671 HydrophobicContact CB-CD1 4.37Å; F637-Y671 HydrophobicContact CB-CE1 3.93Å; F637-Y671 HydrophobicContact CD2-CD2 4.34Å; F637-Y671 HydrophobicContact CD2-CE1 4.34Å; F637-Y671 AromaticContact CD2-CE2 3.59Å; F637-Y671 HydrophobicContact CD2-CE2 3.59Å; F637-Y671 AromaticContact CD2-CZ 3.58Å; F637-Y671 HydrophobicContact CE2-CE2 4.35Å; F637-Y671 PolarHBondContact N-OH 3.01Å; N638-Y671 HydrophobicContact CB-CD1 3.87Å; N638-Y671 HydrophobicContact CB-CE1 4.22Å; N638-Y671 VanDerWaalsContact OD1-CE1 3.27Å; N638-Y671 WeakPolarHBondContact OD1-CE1 3.43Å; E666-Y671 VanDerWaalsContact CD-OH 3.27Å; E666-Y671 VanDerWaalsContact OE1-CE2 3.25Å; E666-Y671 WeakPolarHBondContact OE1-CE2 3.42Å; E666-Y671 PolarHBondContact OE1-OH 3.27Å; E666-Y671 PolarHBondContact OE2-OH 3.18Å; E666-Y671 VanDerWaalsContact OE2-OH 3.05Å; S668-Y671 VanDerWaalsContact CB-CE1 3.46Å; S668-Y671 VanDerWaalsContact CB-CE2 3.46Å; S668-Y671 WeakPolarHBondContact O-CB 3.43Å; S668-Y671 PolarHBondContact O-N 2.95Å; A669-Y671 VanDerWaalsContact C-N 3.3Å; Y671-H673 PolarHBondContact O-N 3.46Å; Y671-S674 WeakPolarHBondContact O-CB 3.23Å; Y671-S674 PolarHBondContact O-N 2.98Å; Y671-A677 HydrophobicContact CD1-CB 4.43Å; Y671-A677 HydrophobicContact CG-CB 4.48Å
672F98.4Very high96.5Very high1 Ų123.6 Ų23.60%0.00411%0.114CC..THydrogen-bonded Turntrans-52.2-50.8-173.4-178.7-100.1000113.7I601 P603 T692 L694 Y748 H751 I752 W755I601-F672 HydrophobicContact CD1-CD2 3.87Å; I601-F672 HydrophobicContact CG1-CB 4.49Å; I601-F672 HydrophobicContact CG1-CD2 4.28Å; I601-F672 VanDerWaalsContact O-CB 3.25Å; I601-F672 WeakPolarHBondContact O-CB 3.25Å; I601-F672 PolarHBondContact O-N 3.02Å; P603-F672 HydrophobicContact CB-CB 4.22Å; P603-F672 HydrophobicContact CB-CD1 3.61Å; P603-F672 HydrophobicContact CB-CE1 4.17Å; P603-F672 HydrophobicContact CB-CG 4.02Å; P603-F672 HydrophobicContact CG-CD1 3.8Å; P603-F672 HydrophobicContact CG-CE1 3.89Å; P603-F672 HydrophobicContact CG-CG 4.2Å; P603-F672 HydrophobicContact CG-CZ 4.38Å; F672-T692 VanDerWaalsContact CD2-OG1 3.29Å; F672-T692 WeakPolarHBondContact CD2-OG1 3.48Å; F672-T692 HydrophobicContact CE2-CG2 4.42Å; F672-T692 VanDerWaalsContact CE2-OG1 3.27Å; F672-T692 WeakPolarHBondContact CE2-OG1 3.42Å; F672-L694 HydrophobicContact CE2-CD2 4.43Å; F672-L694 HydrophobicContact CZ-CD2 4.19Å; F672-Y748 AromaticContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CE1 4.45Å; F672-Y748 AromaticContact CZ-CD1 3.89Å; F672-Y748 HydrophobicContact CZ-CD1 3.89Å; F672-H751 HydrophobicContact CD1-CB 3.91Å; F672-H751 HydrophobicContact CE1-CB 3.48Å; F672-H751 VanDerWaalsContact CE1-CB 3.48Å; F672-H751 AromaticContact CE1-CD2 3.64Å; F672-H751 AromaticContact CE1-CG 3.88Å; F672-H751 HydrophobicContact CE2-CB 4.28Å; F672-H751 HydrophobicContact CG-CB 4.49Å; F672-H751 HydrophobicContact CZ-CB 3.69Å; F672-I752 HydrophobicContact CE2-CG1 3.88Å; F672-I752 HydrophobicContact CZ-CG1 4.1Å; F672-W755 PolarHBondContact O-NE1 3.24Å
673H96.1Very high97Very high57 Ų5722.9 Ų22.926%0.26411%0.111SC..THydrogen-bonded Turntrans-92.7-5.9-175.866.5-83.9000113.7Y671 P745 R754Y671-H673 PolarHBondContact O-N 3.46Å; H673-P745 HydrophobicContact CB-CB 4.01Å; H673-P745 HydrophobicContact CB-CG 4.37Å; H673-R754 PolarHBondContact O-NH1 3.1Å
674S97.2Very high97.3Very high16 Ų1621.2 Ų21.211%0.11210%0.102CC..  trans-64.7139.9178.4179.60000110.9Y671 A677 R754Y671-S674 WeakPolarHBondContact O-CB 3.23Å; Y671-S674 PolarHBondContact O-N 2.98Å; S674-A677 PolarHBondContact OG-N 3.35Å; S674-R754 PolarHBondContact O-NH1 2.85Å
675E95.9Very high97.4Very high144 Ų14421.5 Ų21.567%0.67310%0.104SC*.SBendtrans-77.9-39.5176.9-67.1-177.9173.200111.4
676E96.3Very high97.4Very high73 Ų7323.8 Ų23.834%0.34112%0.119SC..SBendtrans-85.6-27.4-176.8-67.5-57125.300114.4R679 R680E676-R679 PolarHBondContact O-N 3.3Å; E676-R679 IonicContact OE2-CZ 2.63Å; E676-R679 IonicContact OE2-NE 3.24Å; E676-R679 PolarHBondContact OE2-NE 3.04Å; E676-R679 IonicContact OE2-NH2 3.91Å; E676-R679 PolarHBondContact OE2-NH2 3.22Å; E676-R680 HydrophobicContact CB-CG 4.48Å; E676-R680 WeakPolarHBondContact O-CB 3.43Å; E676-R680 WeakPolarHBondContact O-CG 3.44Å; E676-R680 PolarHBondContact O-N 3.47Å
677A98.2Very high97.3Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-57.9-42.7-171.300000114.2F637 Y671 S674 R679 R680 A681 W755F637-A677 HydrophobicContact CB-CB 3.87Å; Y671-A677 HydrophobicContact CD1-CB 4.43Å; Y671-A677 HydrophobicContact CG-CB 4.48Å; S674-A677 PolarHBondContact OG-N 3.35Å; A677-R679 PolarHBondContact O-N 3.48Å; A677-R680 PolarHBondContact O-N 3.42Å; A677-A681 WeakPolarHBondContact O-CB 3.48Å; A677-A681 PolarHBondContact O-N 2.92Å; A677-W755 HydrophobicContact CB-CZ2 4.25Å
678P98.5Very high97.3Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-58.1-48.8178.3-25.635.3000113A681 A682 R754 W755P678-A681 PolarHBondContact O-N 3.03Å; P678-A682 VanDerWaalsContact O-CB 3.3Å; P678-A682 WeakPolarHBondContact O-CB 3.16Å; P678-A682 PolarHBondContact O-N 3.08Å; P678-R754 HydrophobicContact CG-CG 4.06Å; P678-W755 HydrophobicContact CB-CD2 4.08Å; P678-W755 HydrophobicContact CB-CE3 4.22Å; P678-W755 HydrophobicContact CB-CG 4.4Å; P678-W755 HydrophobicContact CG-CD2 3.84Å; P678-W755 HydrophobicContact CG-CE3 4.41Å; P678-W755 HydrophobicContact CG-CG 4.04Å; P678-W755 HydrophobicContact CG-CZ2 4.04Å
679R97.4Very high97.3Very high81 Ų8133.9 Ų33.931%0.30616%0.163SC..Hα-helixtrans-62.8-45.6179.5-175.1-178.872.7107.5-3111.5L572 E676 A677 S683L572-R679 HydrophobicContact CD1-CG 4.24Å; E676-R679 PolarHBondContact O-N 3.3Å; E676-R679 IonicContact OE2-CZ 2.63Å; E676-R679 IonicContact OE2-NE 3.24Å; E676-R679 PolarHBondContact OE2-NE 3.04Å; E676-R679 IonicContact OE2-NH2 3.91Å; E676-R679 PolarHBondContact OE2-NH2 3.22Å; A677-R679 PolarHBondContact O-N 3.48Å; R679-S683 WeakPolarHBondContact O-CB 3.37Å; R679-S683 PolarHBondContact O-N 3.11Å; R679-S683 VanDerWaalsContact O-N 3.09Å
680R97.9Very high97.4Very high10 Ų1033.8 Ų33.84%0.03816%0.162CC..Hα-helixtrans-67.5-40.2-179.7-69.7175.6173.3-173.5-4.9112.2D570 L572 F637 Y642 E676 A677 L684D570-R680 IonicContact OD2-NH2 2.79Å; L572-R680 HydrophobicContact CD1-CG 4.12Å; F637-R680 HydrophobicContact CB-CB 4.43Å; F637-R680 HydrophobicContact CD1-CB 3.79Å; F637-R680 WeakPolarHBondContact O-CD 3.47Å; F637-R680 PolarHBondContact O-NH1 2.87Å; Y642-R680 HydrophobicContact CD1-CG 4.43Å; Y642-R680 HydrophobicContact CD2-CB 4.34Å; Y642-R680 HydrophobicContact CD2-CG 4.45Å; Y642-R680 HydrophobicContact CE1-CG 3.91Å; Y642-R680 HydrophobicContact CE2-CB 3.69Å; Y642-R680 HydrophobicContact CE2-CG 3.94Å; E676-R680 HydrophobicContact CB-CG 4.48Å; E676-R680 WeakPolarHBondContact O-CB 3.43Å; E676-R680 WeakPolarHBondContact O-CG 3.44Å; E676-R680 PolarHBondContact O-N 3.47Å; A677-R680 PolarHBondContact O-N 3.42Å; R680-L684 PolarHBondContact O-N 3.39Å
681A98.4Very high97.5Very high0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-67.4-48.5176.600000111.2L599 F637 A677 P678 S683 L684 I685 W755 Y759L599-A681 HydrophobicContact CD1-CB 4.04Å; F637-A681 HydrophobicContact CD1-CB 4.31Å; F637-A681 HydrophobicContact CD2-CB 4.08Å; F637-A681 HydrophobicContact CE1-CB 4.32Å; F637-A681 HydrophobicContact CE2-CB 4.12Å; F637-A681 HydrophobicContact CG-CB 4.19Å; F637-A681 HydrophobicContact CZ-CB 4.23Å; A677-A681 WeakPolarHBondContact O-CB 3.48Å; A677-A681 PolarHBondContact O-N 2.92Å; P678-A681 PolarHBondContact O-N 3.03Å; A681-S683 PolarHBondContact O-N 3.33Å; A681-L684 PolarHBondContact O-N 2.9Å; A681-L684 VanDerWaalsContact O-N 3.14Å; A681-I685 CarbonylContact O-C 3.51Å; A681-I685 VanDerWaalsContact O-CG1 3.23Å; A681-I685 WeakPolarHBondContact O-CG1 3.45Å; A681-I685 PolarHBondContact O-N 3.22Å; A681-W755 HydrophobicContact CB-CH2 4.32Å; A681-W755 HydrophobicContact CB-CZ3 4.27Å; A681-Y759 HydrophobicContact CB-CE2 4.35Å; A681-Y759 PolarHBondContact O-OH 3.18Å
682A98.1Very high97.5Very high17 Ų1732.6 Ų32.614%0.1416%0.156CC..Hα-helixtrans-62.6-31.3179.400000112.8P678 P686 H758 Y759P678-A682 VanDerWaalsContact O-CB 3.3Å; P678-A682 WeakPolarHBondContact O-CB 3.16Å; P678-A682 PolarHBondContact O-N 3.08Å; A682-P686 VanDerWaalsContact O-CA 3.25Å; A682-P686 WeakPolarHBondContact O-CA 3.41Å; A682-P686 WeakPolarHBondContact O-CB 3.21Å; A682-P686 WeakPolarHBondContact O-CD 3.49Å; A682-H758 HydrophobicContact CB-CB 3.74Å; A682-Y759 WeakPolarHBondContact CA-OH 3.26Å; A682-Y759 HydrophobicContact CB-CD2 4.32Å; A682-Y759 HydrophobicContact CB-CE2 3.73Å; A682-Y759 PolarHBondContact N-OH 3.19Å
683S96.6Very high97.5Very high13 Ų1332.6 Ų32.69%0.09116%0.156CC..Hα-helixtrans-66.4-43.1174179.80000113.1L572 W573 Q574 N575 R679 A681L572-S683 WeakPolarHBondContact CG-OG 3.34Å; W573-S683 CarbonylContact O-C 3.39Å; W573-S683 VanDerWaalsContact O-C 3.28Å; W573-S683 WeakPolarHBondContact O-CB 3.15Å; W573-S683 PolarHBondContact O-OG 3.26Å; Q574-S683 CarbonylContact C-O 3.54Å; Q574-S683 WeakPolarHBondContact CA-O 3.27Å; Q574-S683 VanDerWaalsContact CD-OG 3.3Å; Q574-S683 PolarHBondContact NE2-OG 3.29Å; Q574-S683 PolarHBondContact OE1-OG 3.25Å; N575-S683 PolarHBondContact N-O 3.21Å; R679-S683 WeakPolarHBondContact O-CB 3.37Å; R679-S683 PolarHBondContact O-N 3.11Å; R679-S683 VanDerWaalsContact O-N 3.09Å; A681-S683 PolarHBondContact O-N 3.33Å
684L97.1Very high97.6Very high0 Ų029.9 Ų29.90%014%0.143CC..Hα-helixtrans-89.5-36-174.9-178.159.4000113.4W573 Q574 N575 F636 F637 I646 Y649 R680 A681W573-L684 HydrophobicContact CB-CD1 4.36Å; W573-L684 WeakPolarHBondContact O-CA 3.46Å; W573-L684 PolarHBondContact O-N 3.23Å; Q574-L684 WeakPolarHBondContact O-CD1 3.25Å; N575-L684 WeakPolarHBondContact CB-O 3.15Å; F636-L684 HydrophobicContact CE1-CD2 3.76Å; F637-L684 HydrophobicContact CE1-CB 4.17Å; F637-L684 HydrophobicContact CE1-CD2 3.98Å; F637-L684 HydrophobicContact CZ-CB 4.47Å; F637-L684 HydrophobicContact CZ-CD2 4.07Å; I646-L684 HydrophobicContact CD1-CD1 3.88Å; I646-L684 HydrophobicContact CG1-CD1 4.06Å; I646-L684 HydrophobicContact CG2-CD1 4.17Å; Y649-L684 HydrophobicContact CD1-CD2 3.97Å; Y649-L684 HydrophobicContact CE1-CD2 4.27Å; R680-L684 PolarHBondContact O-N 3.39Å; A681-L684 PolarHBondContact O-N 2.9Å; A681-L684 VanDerWaalsContact O-N 3.14Å
685I97.2Very high97.6Very high8 Ų830.4 Ų30.44%0.04114%0.144CC..  trans-136.664.3-17648.1172.4000110.2L595 P596 L599 F637 A681 K687 A688 Y759L595-I685 HydrophobicContact CB-CG2 4.09Å; L595-I685 HydrophobicContact CD1-CG2 4.26Å; P596-I685 HydrophobicContact CG-CD1 4.2Å; L599-I685 HydrophobicContact CD1-CD1 3.85Å; L599-I685 HydrophobicContact CD2-CD1 3.85Å; L599-I685 HydrophobicContact CG-CD1 3.93Å; F637-I685 HydrophobicContact CE2-CD1 4.02Å; F637-I685 HydrophobicContact CZ-CD1 3.98Å; F637-I685 HydrophobicContact CZ-CG1 4.15Å; A681-I685 CarbonylContact O-C 3.51Å; A681-I685 VanDerWaalsContact O-CG1 3.23Å; A681-I685 WeakPolarHBondContact O-CG1 3.45Å; A681-I685 PolarHBondContact O-N 3.22Å; I685-K687 PolarHBondContact O-N 3.36Å; I685-K687 VanDerWaalsContact O-N 3.15Å; I685-A688 HydrophobicContact CB-CB 4.01Å; I685-A688 HydrophobicContact CD1-CB 3.92Å; I685-A688 HydrophobicContact CG1-CB 4.11Å; I685-A688 WeakPolarHBondContact O-CB 3.45Å; I685-A688 PolarHBondContact O-N 3.2Å; I685-Y759 PolarHBondContact O-OH 3.32Å
686P96.9Very high97.7Very high48 Ų4823.9 Ų23.931%0.31211%0.114SC..THydrogen-bonded Turntrans-59.9-29.5-175.920.7-31.8000113.3A682 A688 Y759 Q763A682-P686 VanDerWaalsContact O-CA 3.25Å; A682-P686 WeakPolarHBondContact O-CA 3.41Å; A682-P686 WeakPolarHBondContact O-CB 3.21Å; A682-P686 WeakPolarHBondContact O-CD 3.49Å; P686-A688 VanDerWaalsContact C-N 3.34Å; P686-Y759 WeakPolarHBondContact O-CE1 3.43Å; P686-Q763 PolarHBondContact O-NE2 3.34Å
687K96.2Very high97.7Very high153 Ų15320.4 Ų20.467%0.66510%0.098SC*.THydrogen-bonded Turntrans-87.50.3-177.9-62.9166.1-176.7156.50113.4D578 I685 Q763D578-K687 IonicContact OD1-NZ 2.77Å; D578-K687 PolarHBondContact OD1-NZ 3.03Å; I685-K687 PolarHBondContact O-N 3.36Å; I685-K687 VanDerWaalsContact O-N 3.15Å; K687-Q763 VanDerWaalsContact C-NE2 3.34Å
688A97.4Very high97.7Very high2 Ų220.6 Ų20.62%0.01710%0.099CC..  trans-68.6141.3-17800000111.9K597 I685 P686 Y759 Q763K597-A688 CarbonylContact O-C 3.55Å; K597-A688 VanDerWaalsContact O-CA 3.23Å; K597-A688 WeakPolarHBondContact O-CA 3.23Å; I685-A688 HydrophobicContact CB-CB 4.01Å; I685-A688 HydrophobicContact CD1-CB 3.92Å; I685-A688 HydrophobicContact CG1-CB 4.11Å; I685-A688 WeakPolarHBondContact O-CB 3.45Å; I685-A688 PolarHBondContact O-N 3.2Å; P686-A688 VanDerWaalsContact C-N 3.34Å; A688-Y759 VanDerWaalsContact O-CE1 3.32Å; A688-Y759 WeakPolarHBondContact O-CE1 3.38Å; A688-Q763 PolarHBondContact O-NE2 3.14Å
689K98.6Very high97.6Very high62 Ų6223 Ų2327%0.2711%0.112SC..EExtended strand (participates in β ladder)trans-79.4144.8168.4-70177.9-177.9171.40110.1K597 F598 L599 F786 L787K597-K689 PolarHBondContact O-N 2.91Å; F598-K689 CarbonylContact C-O 3.51Å; F598-K689 WeakPolarHBondContact CA-O 3.44Å; F598-K689 HydrophobicContact CB-CB 3.8Å; F598-K689 WeakPolarHBondContact CB-O 3.5Å; L599-K689 PolarHBondContact N-O 2.85Å; K689-F786 HydrophobicContact CB-CE1 3.59Å; K689-F786 HydrophobicContact CB-CZ 3.74Å; K689-F786 HydrophobicContact CD-CD1 4.25Å; K689-F786 HydrophobicContact CD-CE1 3.95Å; K689-F786 HydrophobicContact CD-CE2 4.46Å; K689-F786 HydrophobicContact CD-CZ 4.05Å; K689-F786 WeakPolarHBondContact CD-O 3.44Å; K689-F786 VanDerWaalsContact CE-O 3.27Å; K689-F786 WeakPolarHBondContact CE-O 3.49Å; K689-F786 HydrophobicContact CG-CE1 4.09Å; K689-F786 HydrophobicContact CG-CZ 3.95Å; K689-F786 PolarHBondContact NZ-O 3.38Å; K689-L787 HydrophobicContact CB-CD2 4.33Å; K689-L787 HydrophobicContact CD-CD2 4Å; K689-L787 PolarHBondContact NZ-O 3.37Å
690I98.8Very high97.7Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-116.1126.2-175.8-53.4-56.6000108.5L599 I601 W755 Y759 Q763 L764 L765L599-I690 HydrophobicContact CB-CD1 4.16Å; L599-I690 HydrophobicContact CD1-CD1 4.06Å; L599-I690 HydrophobicContact CG-CD1 4.34Å; I601-I690 HydrophobicContact CD1-CG2 3.51Å; I601-I690 HydrophobicContact CG1-CG2 3.9Å; I601-I690 HydrophobicContact CG2-CG2 3.84Å; I690-W755 HydrophobicContact CD1-CE3 4.16Å; I690-W755 HydrophobicContact CD1-CZ3 3.74Å; I690-W755 HydrophobicContact CG1-CE3 4.16Å; I690-W755 HydrophobicContact CG1-CZ3 4.26Å; I690-W755 HydrophobicContact CG2-CD2 4.4Å; I690-W755 HydrophobicContact CG2-CE3 3.94Å; I690-W755 HydrophobicContact CG2-CZ3 4.26Å; I690-Y759 HydrophobicContact CD1-CD1 4.33Å; I690-Y759 HydrophobicContact CD1-CD2 4.33Å; I690-Y759 HydrophobicContact CD1-CE1 4.03Å; I690-Y759 HydrophobicContact CD1-CE2 4.02Å; I690-Y759 HydrophobicContact CD1-CG 4.47Å; I690-Y759 HydrophobicContact CG1-CD1 3.91Å; I690-Y759 HydrophobicContact CG1-CD2 4.07Å; I690-Y759 HydrophobicContact CG1-CE1 4.13Å; I690-Y759 HydrophobicContact CG1-CE2 4.27Å; I690-Y759 HydrophobicContact CG1-CG 3.88Å; I690-Q763 PolarHBondContact N-O 3.49Å; I690-L764 HydrophobicContact CB-CD1 3.92Å; I690-L764 HydrophobicContact CG2-CD1 3.64Å; I690-L764 CarbonylContact O-C 3.5Å; I690-L764 WeakPolarHBondContact O-CA 3.28Å; I690-L765 PolarHBondContact O-N 2.84Å
691I98.8Very high97.7Very high0 Ų018.7 Ų18.70%010%0.096CC..EExtended strand (participates in β ladder)trans-120.1126.9179-56.7178.8000109.2F598 L599 V600 I601 L611 L765 I767 V783 F786 L787F598-I691 HydrophobicContact CD2-CD1 3.86Å; F598-I691 HydrophobicContact CE2-CD1 4.11Å; L599-I691 PolarHBondContact O-N 2.96Å; V600-I691 WeakPolarHBondContact CA-O 3.45Å; V600-I691 HydrophobicContact CG2-CB 4.32Å; I601-I691 WeakPolarHBondContact CG1-O 3.14Å; I601-I691 PolarHBondContact N-O 2.91Å; L611-I691 HydrophobicContact CD2-CG2 3.91Å; I691-L765 WeakPolarHBondContact CA-O 3.3Å; I691-L765 HydrophobicContact CG1-CB 4.34Å; I691-L765 HydrophobicContact CG1-CD2 4.48Å; I691-L765 HydrophobicContact CG2-CD2 4.48Å; I691-I767 HydrophobicContact CG2-CD1 3.49Å; I691-I767 VanDerWaalsContact CG2-CD1 3.49Å; I691-I767 HydrophobicContact CG2-CG1 4.23Å; I691-V783 HydrophobicContact CD1-CG1 4.19Å; I691-F786 HydrophobicContact CD1-CD1 4.39Å; I691-F786 HydrophobicContact CD1-CE1 4.4Å; I691-F786 HydrophobicContact CG1-CD1 4.26Å; I691-F786 HydrophobicContact CG1-CE1 3.87Å; I691-L787 HydrophobicContact CD1-CD2 4.31Å
692T98.6Very high97.6Very high0 Ų019.6 Ų19.60%010%0.099CC..EExtended strand (participates in β ladder)trans-126.3151.9173.2-171.70000111.1G602 F672 L764 L765 I766 I767G602-T692 VanDerWaalsContact O-CA 3.29Å; G602-T692 WeakPolarHBondContact O-CA 3.46Å; G602-T692 WeakPolarHBondContact O-CB 3.43Å; G602-T692 PolarHBondContact O-OG1 3.39Å; F672-T692 VanDerWaalsContact CD2-OG1 3.29Å; F672-T692 WeakPolarHBondContact CD2-OG1 3.48Å; F672-T692 HydrophobicContact CE2-CG2 4.42Å; F672-T692 VanDerWaalsContact CE2-OG1 3.27Å; F672-T692 WeakPolarHBondContact CE2-OG1 3.42Å; T692-L764 HydrophobicContact CG2-CD1 4.29Å; T692-L765 PolarHBondContact N-O 3.3Å; T692-I766 HydrophobicContact CG2-CB 4.24Å; T692-I766 HydrophobicContact CG2-CG1 3.83Å; T692-I766 HydrophobicContact CG2-CG2 4.26Å; T692-I767 PolarHBondContact O-N 3.36Å
693I98.3Very high97.6Very high0 Ų019.6 Ų19.60%010%0.098CC..EExtended strand (participates in β ladder)trans-125.8124.1-178.4-51.4159.1000109.1G602 P603 T606 T608 L611 I767 L772G602-I693 PolarHBondContact O-N 2.97Å; P603-I693 WeakPolarHBondContact CD-O 3.23Å; T606-I693 WeakPolarHBondContact CB-O 3.48Å; T606-I693 VanDerWaalsContact CG2-O 3.27Å; T606-I693 WeakPolarHBondContact CG2-O 3.14Å; T606-I693 WeakPolarHBondContact O-CG2 3.29Å; T606-I693 PolarHBondContact OG1-O 3.26Å; T608-I693 HydrophobicContact CG2-CD1 4.05Å; L611-I693 HydrophobicContact CB-CD1 3.92Å; L611-I693 HydrophobicContact CD2-CD1 3.71Å; L611-I693 HydrophobicContact CD2-CG1 4.09Å; L611-I693 HydrophobicContact CG-CD1 4.45Å; I693-I767 WeakPolarHBondContact CA-O 3.3Å; I693-I767 HydrophobicContact CB-CB 4.37Å; I693-I767 HydrophobicContact CG1-CB 4.06Å; I693-I767 HydrophobicContact CG1-CD1 4.16Å; I693-I767 HydrophobicContact CG1-CG2 4.34Å; I693-I767 HydrophobicContact CG2-CB 4.3Å; I693-I767 HydrophobicContact CG2-CG2 4.08Å; I693-L772 HydrophobicContact CD1-CD2 4.04Å; I693-L772 HydrophobicContact CG2-CD2 4.28Å
694L98Very high97.6Very high0 Ų019.2 Ų19.20%010%0.095CC..EExtended strand (participates in β ladder)trans-112.1136.8-178.5-51.3-176.9000111.3F672 Y748 I752 I766 I767 G769 L850 W864F672-L694 HydrophobicContact CE2-CD2 4.43Å; F672-L694 HydrophobicContact CZ-CD2 4.19Å; L694-Y748 HydrophobicContact CB-CD2 4.48Å; L694-Y748 HydrophobicContact CB-CE2 4.36Å; L694-Y748 HydrophobicContact CD1-CD2 4.26Å; L694-Y748 HydrophobicContact CD1-CG 4.39Å; L694-Y748 HydrophobicContact CD2-CD1 3.86Å; L694-Y748 HydrophobicContact CD2-CD2 4.13Å; L694-Y748 HydrophobicContact CD2-CE1 4.15Å; L694-Y748 HydrophobicContact CD2-CE2 4.4Å; L694-Y748 HydrophobicContact CD2-CG 3.85Å; L694-I752 HydrophobicContact CD1-CD1 4.12Å; L694-I766 HydrophobicContact CD1-CG2 3.57Å; L694-I766 HydrophobicContact CG-CG2 3.87Å; L694-I767 PolarHBondContact N-O 3.18Å; L694-G769 WeakPolarHBondContact O-CA 3.34Å; L694-G769 PolarHBondContact O-N 3.44Å; L694-L850 HydrophobicContact CD1-CD1 4.34Å; L694-L850 HydrophobicContact CD1-CD2 4.3Å; L694-W864 HydrophobicContact CB-CZ2 4.09Å; L694-W864 PolarHBondContact O-NE1 3.1Å
695I97.1Very high97.6Very high27 Ų2719.4 Ų19.414%0.13810%0.096CC..  trans-125.3178.1166.965.6174000108.1K605 T606 R700 Y748 W864K605-I695 WeakPolarHBondContact O-CD1 3.32Å; T606-I695 HydrophobicContact CG2-CD1 4.46Å; T606-I695 HydrophobicContact CG2-CG1 4Å; I695-R700 HydrophobicContact CD1-CB 3.9Å; I695-R700 HydrophobicContact CG1-CB 3.79Å; I695-R700 HydrophobicContact CG1-CG 4.49Å; I695-Y748 VanDerWaalsContact O-CE2 3.26Å; I695-Y748 WeakPolarHBondContact O-CE2 3.48Å; I695-Y748 PolarHBondContact O-OH 3.45Å; I695-Y748 VanDerWaalsContact O-OH 3.1Å; I695-W864 VanDerWaalsContact C-CE2 3.47Å; I695-W864 WeakPolarHBondContact O-CZ2 3.39Å
696D97.1Very high97.7Very high8 Ų820.2 Ų20.24%0.04310%0.099CC..  trans-49.7123.5171.4-176.1-57.5000110.9S698 D699 R700 W864D696-S698 PolarHBondContact O-N 2.76Å; D696-S698 VanDerWaalsContact OD1-CA 3.3Å; D696-S698 WeakPolarHBondContact OD1-CA 3.43Å; D696-S698 WeakPolarHBondContact OD1-CB 3.4Å; D696-S698 PolarHBondContact OD1-N 3.15Å; D696-S698 PolarHBondContact OD1-OG 3.12Å; D696-D699 HydrophobicContact CB-CB 4.15Å; D696-D699 PolarHBondContact O-N 2.99Å; D696-D699 VanDerWaalsContact O-N 3.15Å; D696-D699 PolarHBondContact OD1-N 3.16Å; D696-R700 WeakPolarHBondContact O-CB 3.39Å; D696-R700 PolarHBondContact O-N 2.71Å; D696-W864 HydrophobicContact CB-CB 4.28Å; D696-W864 HydrophobicContact CB-CD2 4.37Å; D696-W864 HydrophobicContact CB-CE3 4.25Å; D696-W864 HydrophobicContact CB-CG 4.41Å
697P97.7Very high97.6Very high0 Ų019.8 Ų19.80%09%0.093CC..Hα-helixtrans-64.7-25.2-174.226.7-35.5000112.7A701 Y748 Y843 W864P697-A701 WeakPolarHBondContact O-CB 3.46Å; P697-A701 PolarHBondContact O-N 2.87Å; P697-Y748 HydrophobicContact CB-CE2 3.92Å; P697-Y748 HydrophobicContact CG-CE2 4.41Å; P697-Y843 HydrophobicContact CB-CD1 4.09Å; P697-Y843 HydrophobicContact CB-CD2 3.79Å; P697-Y843 HydrophobicContact CB-CE1 4.03Å; P697-Y843 HydrophobicContact CB-CE2 3.72Å; P697-Y843 HydrophobicContact CB-CG 3.96Å; P697-Y843 HydrophobicContact CG-CD1 4.25Å; P697-Y843 HydrophobicContact CG-CD2 3.72Å; P697-Y843 HydrophobicContact CG-CE2 4.17Å; P697-Y843 HydrophobicContact CG-CG 3.75Å; P697-W864 HydrophobicContact CG-CZ3 4.29Å
698S97.6Very high97.6Very high3 Ų313.3 Ų13.32%0.0217%0.065CC..Hα-helixtrans-69.4-48.8173.6-400000110.9D696 R700 A701 Y702 L839D696-S698 PolarHBondContact O-N 2.76Å; D696-S698 VanDerWaalsContact OD1-CA 3.3Å; D696-S698 WeakPolarHBondContact OD1-CA 3.43Å; D696-S698 WeakPolarHBondContact OD1-CB 3.4Å; D696-S698 PolarHBondContact OD1-N 3.15Å; D696-S698 PolarHBondContact OD1-OG 3.12Å; S698-R700 VanDerWaalsContact C-N 3.3Å; S698-R700 PolarHBondContact O-N 2.67Å; S698-A701 PolarHBondContact O-N 2.95Å; S698-Y702 PolarHBondContact O-N 3.14Å; S698-L839 WeakPolarHBondContact OG-CB 3.48Å
699D97Very high97.5Very high51 Ų5117.7 Ų17.727%0.2738%0.081SC..Hα-helixtrans-66-35.7177.4-68.1-28.3000111.2D696 Y702 S703 R836D696-D699 HydrophobicContact CB-CB 4.15Å; D696-D699 PolarHBondContact O-N 2.99Å; D696-D699 VanDerWaalsContact O-N 3.15Å; D696-D699 PolarHBondContact OD1-N 3.16Å; D699-Y702 PolarHBondContact O-N 2.92Å; D699-S703 WeakPolarHBondContact O-CB 3.31Å; D699-S703 PolarHBondContact O-N 3.05Å; D699-R836 IonicContact OD1-CZ 2.79Å; D699-R836 IonicContact OD1-NH1 2.9Å; D699-R836 IonicContact OD1-NH2 2.79Å; D699-R836 PolarHBondContact OD1-NH2 3.5Å
700R97.6Very high97.3Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-62.7-45.5173.5-177.2-106151.2-152.5-15.4111.7Q604 K605 T606 I695 D696 S698 S703 W704 R741 C742 P745Q604-R700 WeakPolarHBondContact O-CG 3.47Å; Q604-R700 PolarHBondContact O-NE 3.14Å; K605-R700 HydrophobicContact CB-CG 4.36Å; T606-R700 HydrophobicContact CG2-CG 4.05Å; I695-R700 HydrophobicContact CD1-CB 3.9Å; I695-R700 HydrophobicContact CG1-CB 3.79Å; I695-R700 HydrophobicContact CG1-CG 4.49Å; D696-R700 WeakPolarHBondContact O-CB 3.39Å; D696-R700 PolarHBondContact O-N 2.71Å; S698-R700 VanDerWaalsContact C-N 3.3Å; S698-R700 PolarHBondContact O-N 2.67Å; R700-S703 PolarHBondContact O-N 2.59Å; R700-W704 PolarHBondContact O-N 2.95Å; R700-R741 PolarHBondContact NH2-O 2.99Å; R700-C742 PolarHBondContact NH1-O 3.1Å; R700-P745 VanDerWaalsContact CZ-CB 3.49Å
701A98.1Very high97Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-62-45.5176.400000111.5P697 S698 W704 Y705 F721 C742 L743P697-A701 WeakPolarHBondContact O-CB 3.46Å; P697-A701 PolarHBondContact O-N 2.87Å; S698-A701 PolarHBondContact O-N 2.95Å; A701-W704 WeakPolarHBondContact O-CB 3.41Å; A701-W704 PolarHBondContact O-N 2.91Å; A701-Y705 PolarHBondContact O-N 2.62Å; A701-F721 HydrophobicContact CB-CZ 4.15Å; A701-C742 HydrophobicContact CB-CB 4.29Å; A701-C742 VanDerWaalsContact CB-O 3.3Å; A701-C742 WeakPolarHBondContact CB-O 3.26Å; A701-L743 HydrophobicContact CB-CD2 4.44Å
702Y97.9Very high96.8Very high20 Ų2030.1 Ų30.18%0.07815%0.146CC..Hα-helixtrans-64.5-42.2178.1-174.4-123.6000112.5S698 D699 W704 Y705 Q706 F721 Y828 P829 M831S698-Y702 PolarHBondContact O-N 3.14Å; D699-Y702 PolarHBondContact O-N 2.92Å; Y702-W704 PolarHBondContact O-N 3.31Å; Y702-Y705 HydrophobicContact CD2-CD1 4.3Å; Y702-Y705 HydrophobicContact CE2-CD1 4.24Å; Y702-Y705 PolarHBondContact O-N 3.33Å; Y702-Q706 HydrophobicContact CD1-CG 4.48Å; Y702-Q706 HydrophobicContact CD2-CG 4.41Å; Y702-Q706 HydrophobicContact CE1-CG 4.18Å; Y702-Q706 HydrophobicContact CE2-CG 4.09Å; Y702-Q706 VanDerWaalsContact CZ-NE2 3.31Å; Y702-Q706 WeakPolarHBondContact O-CG 3.36Å; Y702-Q706 PolarHBondContact O-N 3.33Å; Y702-Q706 PolarHBondContact OH-NE2 3.01Å; Y702-F721 HydrophobicContact CD2-CB 4.27Å; Y702-F721 AromaticContact CD2-CD1 3.47Å; Y702-F721 HydrophobicContact CD2-CD1 3.47Å; Y702-F721 VanDerWaalsContact CD2-CD1 3.47Å; Y702-F721 HydrophobicContact CD2-CD2 4.09Å; Y702-F721 AromaticContact CD2-CE1 3.69Å; Y702-F721 HydrophobicContact CD2-CE1 3.69Å; Y702-F721 HydrophobicContact CD2-CE2 4.28Å; Y702-F721 AromaticContact CD2-CG 3.68Å; Y702-F721 HydrophobicContact CD2-CG 3.68Å; Y702-F721 HydrophobicContact CD2-CZ 4.09Å; Y702-F721 HydrophobicContact CE2-CB 4.21Å; Y702-F721 HydrophobicContact CE2-CD1 4.08Å; Y702-F721 HydrophobicContact CE2-CG 4.12Å; Y702-F721 HydrophobicContact CG-CD1 4.4Å; Y702-F721 HydrophobicContact CG-CE1 4.21Å; Y702-F721 HydrophobicContact CG-CZ 4.5Å; Y702-Y828 HydrophobicContact CD1-CD2 4.39Å; Y702-Y828 AromaticContact CD1-CE2 3.96Å; Y702-Y828 HydrophobicContact CD1-CE2 3.96Å; Y702-Y828 AromaticContact CE1-CD2 3.72Å; Y702-Y828 HydrophobicContact CE1-CD2 3.72Å; Y702-Y828 AromaticContact CE1-CE2 3.74Å; Y702-Y828 HydrophobicContact CE1-CE2 3.74Å; Y702-P829 VanDerWaalsContact CE1-O 3.3Å; Y702-P829 WeakPolarHBondContact CE1-O 3.36Å; Y702-P829 PolarHBondContact OH-O 2.98Å; Y702-M831 HydrophobicContact CD1-CB 3.84Å; Y702-M831 HydrophobicContact CD2-CB 4.29Å; Y702-M831 HydrophobicContact CD2-CG 4.42Å; Y702-M831 HydrophobicContact CE1-CB 3.89Å; Y702-M831 HydrophobicContact CE2-CB 4.35Å; Y702-M831 HydrophobicContact CG-CB 4.03Å; Y702-M831 HydrophobicContact CG-CG 4.41Å; Y702-M831 HydrophobicContact CG-SD 4.31Å
703S96.9Very high96.7Very high17 Ų1731.8 Ų31.812%0.11916%0.155CC..Hα-helixtrans-62.4-31.9174.9-174.30000112.3K605 D699 R700 H707K605-S703 VanDerWaalsContact CE-O 3.3Å; K605-S703 WeakPolarHBondContact CE-O 3.11Å; K605-S703 WeakPolarHBondContact CE-OG 3.33Å; D699-S703 WeakPolarHBondContact O-CB 3.31Å; D699-S703 PolarHBondContact O-N 3.05Å; R700-S703 PolarHBondContact O-N 2.59Å; S703-H707 WeakPolarHBondContact O-CB 2.92Å; S703-H707 PolarHBondContact O-N 3.37Å
704W97.4Very high96.5Very high5 Ų536.8 Ų36.82%0.01919%0.187CC..Hα-helixtrans-70.2-46.7172.6-179.7-100.1000111.8Q604 K605 R700 A701 Y702 Q706 H707 Q708 R741Q604-W704 HydrophobicContact CB-CE3 4.2Å; Q604-W704 HydrophobicContact CB-CZ3 4.26Å; Q604-W704 HydrophobicContact CG-CZ3 4.39Å; Q604-W704 VanDerWaalsContact NE2-CZ3 3.34Å; K605-W704 HydrophobicContact CD-CE3 3.92Å; K605-W704 HydrophobicContact CG-CB 4.01Å; K605-W704 HydrophobicContact CG-CE3 3.85Å; R700-W704 PolarHBondContact O-N 2.95Å; A701-W704 WeakPolarHBondContact O-CB 3.41Å; A701-W704 PolarHBondContact O-N 2.91Å; Y702-W704 PolarHBondContact O-N 3.31Å; W704-Q706 PolarHBondContact O-N 3.38Å; W704-H707 AromaticContact CZ3-ND1 3.99Å; W704-H707 WeakPolarHBondContact O-CA 3.43Å; W704-H707 VanDerWaalsContact O-CB 3.25Å; W704-H707 WeakPolarHBondContact O-CB 3.26Å; W704-H707 PolarHBondContact O-N 3.02Å; W704-H707 VanDerWaalsContact O-N 3.1Å; W704-Q708 HydrophobicContact CZ2-CG 4.02Å; W704-Q708 VanDerWaalsContact CZ2-OE1 3.25Å; W704-Q708 PolarHBondContact O-N 3.17Å; W704-R741 VanDerWaalsContact CZ2-CZ 3.41Å
705Y97.6Very high96.2Very high4 Ų437.2 Ų37.22%0.01619%0.191CC..Hα-helixtrans-56.5-48.3174.3169.8-101.9000112.2A701 Y702 H707 Q708 R709 A716 F719 N720 F721 V724 L738A701-Y705 PolarHBondContact O-N 2.62Å; Y702-Y705 HydrophobicContact CD2-CD1 4.3Å; Y702-Y705 HydrophobicContact CE2-CD1 4.24Å; Y702-Y705 PolarHBondContact O-N 3.33Å; Y705-H707 PolarHBondContact O-N 3.49Å; Y705-Q708 PolarHBondContact O-N 2.89Å; Y705-Q708 VanDerWaalsContact O-N 3.1Å; Y705-R709 VanDerWaalsContact CE1-CD 3.44Å; Y705-R709 HydrophobicContact CE1-CG 4.18Å; Y705-R709 HydrophobicContact CE2-CG 4.41Å; Y705-R709 PolarHBondContact O-N 3.42Å; Y705-R709 PolarHBondContact OH-NH1 3.28Å; Y705-A716 HydrophobicContact CD2-CB 4.27Å; Y705-A716 HydrophobicContact CE2-CB 4.1Å; Y705-A716 PolarHBondContact OH-O 3.36Å; Y705-A716 VanDerWaalsContact OH-O 3.14Å; Y705-F719 PolarHBondContact OH-O 2.76Å; Y705-N720 WeakPolarHBondContact OH-CA 3.36Å; Y705-F721 VanDerWaalsContact CB-CD2 3.47Å; Y705-F721 HydrophobicContact CD1-CB 3.84Å; Y705-F721 AromaticContact CD1-CD2 3.68Å; Y705-F721 HydrophobicContact CD1-CD2 3.68Å; Y705-F721 HydrophobicContact CD1-CG 4.04Å; Y705-F721 AromaticContact CD2-CD2 3.9Å; Y705-F721 HydrophobicContact CD2-CD2 3.9Å; Y705-F721 HydrophobicContact CE1-CB 3.72Å; Y705-F721 HydrophobicContact CE1-CD2 4.36Å; Y705-F721 HydrophobicContact CE1-CG 4.42Å; Y705-F721 HydrophobicContact CG-CB 4.31Å; Y705-F721 AromaticContact CG-CD2 3.41Å; Y705-F721 HydrophobicContact CG-CD2 3.41Å; Y705-F721 VanDerWaalsContact CG-CD2 3.41Å; Y705-F721 HydrophobicContact CG-CE2 4.11Å; Y705-F721 HydrophobicContact CG-CG 4.22Å; Y705-F721 PolarHBondContact OH-N 3.18Å; Y705-V724 HydrophobicContact CD2-CG2 4.33Å; Y705-V724 HydrophobicContact CE2-CG2 4.02Å; Y705-L738 HydrophobicContact CD2-CD2 4.24Å; Y705-L738 HydrophobicContact CE2-CD2 4.49Å
706Q97.4Very high96.1Very high24 Ų2436 Ų3611%0.11219%0.185CC..Hα-helixtrans-64.4-30.9177.2-68.2-67.38.400112.7Y702 W704 S710 Y828Y702-Q706 HydrophobicContact CD1-CG 4.48Å; Y702-Q706 HydrophobicContact CD2-CG 4.41Å; Y702-Q706 HydrophobicContact CE1-CG 4.18Å; Y702-Q706 HydrophobicContact CE2-CG 4.09Å; Y702-Q706 VanDerWaalsContact CZ-NE2 3.31Å; Y702-Q706 WeakPolarHBondContact O-CG 3.36Å; Y702-Q706 PolarHBondContact O-N 3.33Å; Y702-Q706 PolarHBondContact OH-NE2 3.01Å; W704-Q706 PolarHBondContact O-N 3.38Å; Q706-S710 PolarHBondContact O-N 3.16Å; Q706-S710 VanDerWaalsContact O-N 3.1Å; Q706-S710 PolarHBondContact O-OG 3.14Å; Q706-Y828 HydrophobicContact CB-CD1 3.78Å; Q706-Y828 HydrophobicContact CB-CE1 3.97Å; Q706-Y828 HydrophobicContact CB-CG 4.07Å; Q706-Y828 HydrophobicContact CG-CD1 3.97Å; Q706-Y828 HydrophobicContact CG-CD2 3.85Å; Q706-Y828 HydrophobicContact CG-CE1 4.32Å; Q706-Y828 HydrophobicContact CG-CE2 4.21Å; Q706-Y828 HydrophobicContact CG-CG 3.72Å
707H95.5Very high96Very high40 Ų4039.8 Ų39.819%0.18521%0.205CC..Hα-helixtrans-63.6-45.8171.9-179-93.3000111.9K605 S703 W704 Y705 S710 H711K605-H707 HydrophobicContact CD-CB 4.25Å; K605-H707 PolarHBondContact NZ-CD2 2.77Å; S703-H707 WeakPolarHBondContact O-CB 2.92Å; S703-H707 PolarHBondContact O-N 3.37Å; W704-H707 AromaticContact CZ3-ND1 3.99Å; W704-H707 WeakPolarHBondContact O-CA 3.43Å; W704-H707 VanDerWaalsContact O-CB 3.25Å; W704-H707 WeakPolarHBondContact O-CB 3.26Å; W704-H707 PolarHBondContact O-N 3.02Å; W704-H707 VanDerWaalsContact O-N 3.1Å; Y705-H707 PolarHBondContact O-N 3.49Å; H707-S710 PolarHBondContact O-N 3.49Å; H707-S710 PolarHBondContact O-OG 3.38Å; H707-H711 AromaticContact CD2-CE1 3.67Å; H707-H711 AromaticContact CD2-ND1 4Å; H707-H711 AromaticContact CE1-CE1 3.29Å; H707-H711 PolarHBondContact CE1-CE1 2.77Å; H707-H711 AromaticContact CE1-ND1 3.53Å; H707-H711 AromaticContact ND1-CE1 3.94Å; H707-H711 AromaticContact ND1-ND1 3.76Å; H707-H711 AromaticContact NE2-CE1 3.13Å; H707-H711 PolarHBondContact NE2-CE1 3.43Å; H707-H711 AromaticContact NE2-ND1 3.73Å; H707-H711 AromaticContact NE2-NE2 3.98Å; H707-H711 PolarHBondContact O-N 2.86Å; H707-H711 PolarHBondContact O-ND1 3.38Å
708Q96.4Very high95.9Very high17 Ų1747.4 Ų47.48%0.07924%0.238CC..Hα-helixtrans-63.7-43177.8-67-53103.500111.6W704 Y705 S710 H711 E712 D713 A716 L738W704-Q708 HydrophobicContact CZ2-CG 4.02Å; W704-Q708 VanDerWaalsContact CZ2-OE1 3.25Å; W704-Q708 PolarHBondContact O-N 3.17Å; Y705-Q708 PolarHBondContact O-N 2.89Å; Y705-Q708 VanDerWaalsContact O-N 3.1Å; Q708-S710 VanDerWaalsContact C-N 3.29Å; Q708-S710 PolarHBondContact O-N 2.94Å; Q708-H711 CarbonylContact O-C 3.58Å; Q708-H711 PolarHBondContact O-N 3.29Å; Q708-E712 PolarHBondContact O-N 3.21Å; Q708-D713 HydrophobicContact CB-CB 3.77Å; Q708-D713 PolarHBondContact NE2-OD2 2.76Å; Q708-D713 VanDerWaalsContact O-CB 3.29Å; Q708-D713 WeakPolarHBondContact O-CB 3.42Å; Q708-D713 PolarHBondContact O-N 3.48Å; Q708-D713 VanDerWaalsContact O-N 3.1Å; Q708-A716 HydrophobicContact CB-CB 3.79Å; Q708-L738 HydrophobicContact CB-CD1 4.07Å; Q708-L738 HydrophobicContact CG-CD1 3.74Å
709R95.3Very high95.7Very high94 Ų9449.4 Ų49.436%0.35525%0.246SC..Hα-helixtrans-55.2-43.3172.3-70-169.871.5134.40112.9Y705 H711 E712 A716 L717Y705-R709 VanDerWaalsContact CE1-CD 3.44Å; Y705-R709 HydrophobicContact CE1-CG 4.18Å; Y705-R709 HydrophobicContact CE2-CG 4.41Å; Y705-R709 PolarHBondContact O-N 3.42Å; Y705-R709 PolarHBondContact OH-NH1 3.28Å; R709-H711 PolarHBondContact O-N 2.91Å; R709-E712 PolarHBondContact O-N 3.1Å; R709-A716 HydrophobicContact CG-CB 3.64Å; R709-A716 VanDerWaalsContact CG-O 3.29Å; R709-A716 WeakPolarHBondContact CG-O 3.34Å; R709-L717 HydrophobicContact CB-CD2 4.46Å
710S93.6Very high95.6Very high55 Ų5550.5 Ų50.539%0.38525%0.252SS..Hα-helixtrans-71-12.8179.272.80000114.7Q706 H707 Q708 R826Q706-S710 PolarHBondContact O-N 3.16Å; Q706-S710 VanDerWaalsContact O-N 3.1Å; Q706-S710 PolarHBondContact O-OG 3.14Å; H707-S710 PolarHBondContact O-N 3.49Å; H707-S710 PolarHBondContact O-OG 3.38Å; Q708-S710 VanDerWaalsContact C-N 3.29Å; Q708-S710 PolarHBondContact O-N 2.94Å; S710-R826 PolarHBondContact OG-NE 2.79Å; S710-R826 VanDerWaalsContact OG-NE 3.09Å; S710-R826 PolarHBondContact OG-NH2 2.99Å
711H93.4Very high95.6Very high111 Ų11150.9 Ų50.951%0.51425%0.254SS..THydrogen-bonded Turntrans-10418.1171.4-69.178.6000111.4H707 Q708 R709 D713H707-H711 AromaticContact CD2-CE1 3.67Å; H707-H711 AromaticContact CD2-ND1 4Å; H707-H711 AromaticContact CE1-CE1 3.29Å; H707-H711 PolarHBondContact CE1-CE1 2.77Å; H707-H711 AromaticContact CE1-ND1 3.53Å; H707-H711 AromaticContact ND1-CE1 3.94Å; H707-H711 AromaticContact ND1-ND1 3.76Å; H707-H711 AromaticContact NE2-CE1 3.13Å; H707-H711 PolarHBondContact NE2-CE1 3.43Å; H707-H711 AromaticContact NE2-ND1 3.73Å; H707-H711 AromaticContact NE2-NE2 3.98Å; H707-H711 PolarHBondContact O-N 2.86Å; H707-H711 PolarHBondContact O-ND1 3.38Å; Q708-H711 CarbonylContact O-C 3.58Å; Q708-H711 PolarHBondContact O-N 3.29Å; R709-H711 PolarHBondContact O-N 2.91Å; H711-D713 PolarHBondContact O-N 3.06Å; H711-D713 VanDerWaalsContact O-N 3.17Å
712E95.2Very high95.6Very high156 Ų15654 Ų5473%0.72927%0.266SS*.THydrogen-bonded Turntrans57.931.4175.4-54.7-179162.500113.7Q708 R709 P714 L717Q708-E712 PolarHBondContact O-N 3.21Å; R709-E712 PolarHBondContact O-N 3.1Å; E712-P714 WeakPolarHBondContact O-CD 3.22Å; E712-L717 HydrophobicContact CB-CD1 4.22Å
713D95.6Very high95.4Very high36 Ų3657 Ų5719%0.19328%0.281CS..  trans-58.6120.7174-178.2-70000110Q708 H711 A715 A716 L717Q708-D713 HydrophobicContact CB-CB 3.77Å; Q708-D713 PolarHBondContact NE2-OD2 2.76Å; Q708-D713 VanDerWaalsContact O-CB 3.29Å; Q708-D713 WeakPolarHBondContact O-CB 3.42Å; Q708-D713 PolarHBondContact O-N 3.48Å; Q708-D713 VanDerWaalsContact O-N 3.1Å; H711-D713 PolarHBondContact O-N 3.06Å; H711-D713 VanDerWaalsContact O-N 3.17Å; D713-A715 VanDerWaalsContact C-N 3.29Å; D713-A715 PolarHBondContact O-N 2.76Å; D713-A715 WeakPolarHBondContact OD1-CB 3.41Å; D713-A715 PolarHBondContact OD1-N 3.42Å; D713-A715 VanDerWaalsContact OD1-N 3.07Å; D713-A716 HydrophobicContact CB-CB 3.92Å; D713-A716 PolarHBondContact O-N 2.73Å; D713-A716 VanDerWaalsContact O-N 3.14Å; D713-A716 PolarHBondContact OD1-N 3.16Å; D713-L717 WeakPolarHBondContact O-CG 3.44Å; D713-L717 PolarHBondContact O-N 3.37Å
714P93.5Very high95.4Very high104 Ų10456.2 Ų56.268%0.67528%0.275SS*.Hα-helixtrans-59.5-37.2-172.7-27.534.9000113.7E712 K718E712-P714 WeakPolarHBondContact O-CD 3.22Å; P714-K718 WeakPolarHBondContact O-CB 3.38Å; P714-K718 PolarHBondContact O-N 2.93Å
715A92.9Very high95.3Very high10 Ų1056 Ų568%0.08327%0.274CS..Hα-helixtrans-70.8-42179.200000110.7D713 L717 K718 F719 E734 L738D713-A715 VanDerWaalsContact C-N 3.29Å; D713-A715 PolarHBondContact O-N 2.76Å; D713-A715 WeakPolarHBondContact OD1-CB 3.41Å; D713-A715 PolarHBondContact OD1-N 3.42Å; D713-A715 VanDerWaalsContact OD1-N 3.07Å; A715-L717 VanDerWaalsContact C-N 3.3Å; A715-L717 PolarHBondContact O-N 2.97Å; A715-K718 PolarHBondContact O-N 3.36Å; A715-F719 WeakPolarHBondContact O-CD2 3.4Å; A715-F719 PolarHBondContact O-N 2.77Å; A715-E734 HydrophobicContact CB-CB 4.21Å; A715-L738 HydrophobicContact CB-CD2 4.02Å
716A94.3Very high95.2Very high0 Ų058.4 Ų58.40%029%0.29CS..Hα-helixtrans-68.5-29.2179.500000113Y705 Q708 R709 D713 L738Y705-A716 HydrophobicContact CD2-CB 4.27Å; Y705-A716 HydrophobicContact CE2-CB 4.1Å; Y705-A716 PolarHBondContact OH-O 3.36Å; Y705-A716 VanDerWaalsContact OH-O 3.14Å; Q708-A716 HydrophobicContact CB-CB 3.79Å; R709-A716 HydrophobicContact CG-CB 3.64Å; R709-A716 VanDerWaalsContact CG-O 3.29Å; R709-A716 WeakPolarHBondContact CG-O 3.34Å; D713-A716 HydrophobicContact CB-CB 3.92Å; D713-A716 PolarHBondContact O-N 2.73Å; D713-A716 VanDerWaalsContact O-N 3.14Å; D713-A716 PolarHBondContact OD1-N 3.16Å; A716-L738 HydrophobicContact CB-CD2 3.72Å
717L95.1Very high94.9Very high89 Ų8958 Ų5847%0.46629%0.289SS..Hα-helixtrans-77.5-36.9174-69.6179.7000112.6R709 E712 D713 A715R709-L717 HydrophobicContact CB-CD2 4.46Å; E712-L717 HydrophobicContact CB-CD1 4.22Å; D713-L717 WeakPolarHBondContact O-CG 3.44Å; D713-L717 PolarHBondContact O-N 3.37Å; A715-L717 VanDerWaalsContact C-N 3.3Å; A715-L717 PolarHBondContact O-N 2.97Å
718K95Very high94.5Very high160 Ų16058 Ų5870%0.69630%0.3SS*.Hα-helixtrans-75.6-41.5-177.3-178.3175.1177.4179.30113.2P714 A715P714-K718 WeakPolarHBondContact O-CB 3.38Å; P714-K718 PolarHBondContact O-N 2.93Å; A715-K718 PolarHBondContact O-N 3.36Å
719F94.5Very high93.8Very high44 Ų4463.4 Ų63.419%0.19333%0.325CS..SBendtrans-109.4140.9-174.4-58.8-73.7000111Y705 A715 E723 V724 I735Y705-F719 PolarHBondContact OH-O 2.76Å; A715-F719 WeakPolarHBondContact O-CD2 3.4Å; A715-F719 PolarHBondContact O-N 2.77Å; F719-E723 WeakPolarHBondContact CA-OE2 3.32Å; F719-E723 HydrophobicContact CB-CB 4.31Å; F719-V724 HydrophobicContact CB-CG2 3.92Å; F719-I735 HydrophobicContact CB-CD1 4.08Å; F719-I735 HydrophobicContact CD1-CD1 3.96Å; F719-I735 HydrophobicContact CD2-CB 4.19Å; F719-I735 HydrophobicContact CD2-CD1 3.89Å; F719-I735 HydrophobicContact CD2-CG1 4.18Å; F719-I735 HydrophobicContact CE1-CD1 4.35Å; F719-I735 HydrophobicContact CE2-CB 4.16Å; F719-I735 HydrophobicContact CE2-CD1 4.29Å; F719-I735 HydrophobicContact CG-CD1 3.71Å; F719-I735 HydrophobicContact CG-CG1 4.42Å; F719-I735 HydrophobicContact CZ-CD1 4.49Å
720N95.1Very high93.2Very high75 Ų7569.6 Ų69.640%0.40135%0.349SS..  trans-72.3167.3172.773.851.2000111Y705 Y722 E723 V724Y705-N720 WeakPolarHBondContact OH-CA 3.36Å; N720-Y722 VanDerWaalsContact C-N 3.34Å; N720-Y722 PolarHBondContact O-N 3.06Å; N720-Y722 WeakPolarHBondContact OD1-CB 3.48Å; N720-Y722 PolarHBondContact OD1-N 3.23Å; N720-Y722 VanDerWaalsContact OD1-N 3.07Å; N720-E723 PolarHBondContact N-OE2 3.14Å; N720-E723 PolarHBondContact ND2-OE2 3.14Å; N720-E723 PolarHBondContact O-N 3.42Å; N720-E723 WeakPolarHBondContact OD1-CG 3.25Å; N720-E723 PolarHBondContact OD1-N 2.8Å; N720-V724 WeakPolarHBondContact O-CG2 3.3Å; N720-V724 PolarHBondContact O-N 3.17Å
721F97.2Very high93Very high7 Ų768 Ų683%0.03134%0.339CS..Hα-helixtrans-64.1-39.4-173.8-175.1-124.4000112.7A701 Y702 Y705 V724 I725 M831 L839A701-F721 HydrophobicContact CB-CZ 4.15Å; Y702-F721 HydrophobicContact CD2-CB 4.27Å; Y702-F721 AromaticContact CD2-CD1 3.47Å; Y702-F721 HydrophobicContact CD2-CD1 3.47Å; Y702-F721 VanDerWaalsContact CD2-CD1 3.47Å; Y702-F721 HydrophobicContact CD2-CD2 4.09Å; Y702-F721 AromaticContact CD2-CE1 3.69Å; Y702-F721 HydrophobicContact CD2-CE1 3.69Å; Y702-F721 HydrophobicContact CD2-CE2 4.28Å; Y702-F721 AromaticContact CD2-CG 3.68Å; Y702-F721 HydrophobicContact CD2-CG 3.68Å; Y702-F721 HydrophobicContact CD2-CZ 4.09Å; Y702-F721 HydrophobicContact CE2-CB 4.21Å; Y702-F721 HydrophobicContact CE2-CD1 4.08Å; Y702-F721 HydrophobicContact CE2-CG 4.12Å; Y702-F721 HydrophobicContact CG-CD1 4.4Å; Y702-F721 HydrophobicContact CG-CE1 4.21Å; Y702-F721 HydrophobicContact CG-CZ 4.5Å; Y705-F721 VanDerWaalsContact CB-CD2 3.47Å; Y705-F721 HydrophobicContact CD1-CB 3.84Å; Y705-F721 AromaticContact CD1-CD2 3.68Å; Y705-F721 HydrophobicContact CD1-CD2 3.68Å; Y705-F721 HydrophobicContact CD1-CG 4.04Å; Y705-F721 AromaticContact CD2-CD2 3.9Å; Y705-F721 HydrophobicContact CD2-CD2 3.9Å; Y705-F721 HydrophobicContact CE1-CB 3.72Å; Y705-F721 HydrophobicContact CE1-CD2 4.36Å; Y705-F721 HydrophobicContact CE1-CG 4.42Å; Y705-F721 HydrophobicContact CG-CB 4.31Å; Y705-F721 AromaticContact CG-CD2 3.41Å; Y705-F721 HydrophobicContact CG-CD2 3.41Å; Y705-F721 VanDerWaalsContact CG-CD2 3.41Å; Y705-F721 HydrophobicContact CG-CE2 4.11Å; Y705-F721 HydrophobicContact CG-CG 4.22Å; Y705-F721 PolarHBondContact OH-N 3.18Å; F721-V724 WeakPolarHBondContact O-CB 3.49Å; F721-V724 PolarHBondContact O-N 3.42Å; F721-I725 HydrophobicContact CD1-CD1 4.19Å; F721-I725 HydrophobicContact CD2-CG2 4.02Å; F721-I725 HydrophobicContact CE1-CD1 4.01Å; F721-I725 HydrophobicContact CE1-CG2 4.14Å; F721-I725 HydrophobicContact CE2-CG2 3.53Å; F721-I725 HydrophobicContact CZ-CD1 4.48Å; F721-I725 HydrophobicContact CZ-CG2 3.6Å; F721-I725 WeakPolarHBondContact O-CG1 3.16Å; F721-I725 PolarHBondContact O-N 3.03Å; F721-M831 HydrophobicContact CD1-CG 4.34Å; F721-M831 HydrophobicContact CD1-SD 4.2Å; F721-M831 HydrophobicContact CE1-CG 4.33Å; F721-M831 HydrophobicContact CE1-SD 3.61Å; F721-L839 HydrophobicContact CE1-CD1 3.63Å; F721-L839 HydrophobicContact CZ-CD1 3.82Å
722Y96.9Very high92.8Very high65 Ų6566.1 Ų66.126%0.25534%0.337SS..Hα-helixtrans-62.3-46.6179.4-171.8-115.5000111.7N720 V724 I725 T726 E834 S835 F838N720-Y722 VanDerWaalsContact C-N 3.34Å; N720-Y722 PolarHBondContact O-N 3.06Å; N720-Y722 WeakPolarHBondContact OD1-CB 3.48Å; N720-Y722 PolarHBondContact OD1-N 3.23Å; N720-Y722 VanDerWaalsContact OD1-N 3.07Å; Y722-V724 VanDerWaalsContact C-N 3.27Å; Y722-V724 PolarHBondContact O-N 3.29Å; Y722-I725 HydrophobicContact CD2-CD1 4.29Å; Y722-I725 HydrophobicContact CD2-CG1 4.46Å; Y722-I725 VanDerWaalsContact O-CG1 3.29Å; Y722-I725 WeakPolarHBondContact O-CG1 3.41Å; Y722-I725 PolarHBondContact O-N 3.4Å; Y722-T726 HydrophobicContact CD1-CG2 4.44Å; Y722-T726 HydrophobicContact CD2-CG2 3.9Å; Y722-T726 HydrophobicContact CE1-CG2 4.15Å; Y722-T726 HydrophobicContact CE2-CG2 3.52Å; Y722-T726 HydrophobicContact CG-CG2 4.35Å; Y722-T726 WeakPolarHBondContact O-CG2 3.01Å; Y722-T726 PolarHBondContact O-N 2.92Å; Y722-T726 PolarHBondContact O-OG1 3.43Å; Y722-E834 HydrophobicContact CD2-CG 4.24Å; Y722-E834 HydrophobicContact CE1-CG 4.28Å; Y722-E834 VanDerWaalsContact CE1-OE1 3.23Å; Y722-E834 WeakPolarHBondContact CE1-OE1 3.03Å; Y722-E834 HydrophobicContact CE2-CB 4.36Å; Y722-E834 HydrophobicContact CE2-CG 3.64Å; Y722-E834 PolarHBondContact OH-OE1 2.79Å; Y722-S835 WeakPolarHBondContact CB-OG 3.3Å; Y722-F838 HydrophobicContact CE2-CB 4.13Å
723E94.7Very high92.6Very high84 Ų8461.8 Ų61.839%0.39332%0.324SS..Hα-helixtrans-57.8-39.3175.4-70.617015200112.3F719 N720 S727F719-E723 WeakPolarHBondContact CA-OE2 3.32Å; F719-E723 HydrophobicContact CB-CB 4.31Å; N720-E723 PolarHBondContact N-OE2 3.14Å; N720-E723 PolarHBondContact ND2-OE2 3.14Å; N720-E723 PolarHBondContact O-N 3.42Å; N720-E723 WeakPolarHBondContact OD1-CG 3.25Å; N720-E723 PolarHBondContact OD1-N 2.8Å; E723-S727 WeakPolarHBondContact O-CB 3.43Å; E723-S727 PolarHBondContact O-N 3.14Å
724V96.3Very high92.4Very high0 Ų065.9 Ų65.90%034%0.342CS..Hα-helixtrans-64.7-52.2177.5172.10000110.4Y705 F719 N720 F721 Y722 T726 S727 I735 L738 Q739Y705-V724 HydrophobicContact CD2-CG2 4.33Å; Y705-V724 HydrophobicContact CE2-CG2 4.02Å; F719-V724 HydrophobicContact CB-CG2 3.92Å; N720-V724 WeakPolarHBondContact O-CG2 3.3Å; N720-V724 PolarHBondContact O-N 3.17Å; F721-V724 WeakPolarHBondContact O-CB 3.49Å; F721-V724 PolarHBondContact O-N 3.42Å; Y722-V724 VanDerWaalsContact C-N 3.27Å; Y722-V724 PolarHBondContact O-N 3.29Å; V724-T726 PolarHBondContact O-N 3.29Å; V724-S727 WeakPolarHBondContact O-CB 3.35Å; V724-S727 PolarHBondContact O-N 3.01Å; V724-S727 PolarHBondContact O-OG 3.47Å; V724-I735 HydrophobicContact CB-CG1 4.45Å; V724-I735 HydrophobicContact CG2-CD1 4.38Å; V724-I735 HydrophobicContact CG2-CG1 4.1Å; V724-L738 HydrophobicContact CG1-CB 4.35Å; V724-L738 HydrophobicContact CG1-CD2 4.14Å; V724-L738 HydrophobicContact CG1-CG 3.9Å; V724-L738 HydrophobicContact CG2-CD2 3.89Å; V724-Q739 HydrophobicContact CG1-CB 4.1Å; V724-Q739 VanDerWaalsContact O-CB 3.27Å; V724-Q739 WeakPolarHBondContact O-CB 3.42Å; V724-Q739 WeakPolarHBondContact O-CG 3.28Å; V724-Q739 PolarHBondContact O-NE2 2.88Å
725I96.9Very high92.4Very high1 Ų161.4 Ų61.41%0.00531%0.312CS..Hα-helixtrans-73-28.1-172.663.7-175.7000113.4F721 Y722 Q739 L743 F838 L839F721-I725 HydrophobicContact CD1-CD1 4.19Å; F721-I725 HydrophobicContact CD2-CG2 4.02Å; F721-I725 HydrophobicContact CE1-CD1 4.01Å; F721-I725 HydrophobicContact CE1-CG2 4.14Å; F721-I725 HydrophobicContact CE2-CG2 3.53Å; F721-I725 HydrophobicContact CZ-CD1 4.48Å; F721-I725 HydrophobicContact CZ-CG2 3.6Å; F721-I725 WeakPolarHBondContact O-CG1 3.16Å; F721-I725 PolarHBondContact O-N 3.03Å; Y722-I725 HydrophobicContact CD2-CD1 4.29Å; Y722-I725 HydrophobicContact CD2-CG1 4.46Å; Y722-I725 VanDerWaalsContact O-CG1 3.29Å; Y722-I725 WeakPolarHBondContact O-CG1 3.41Å; Y722-I725 PolarHBondContact O-N 3.4Å; I725-Q739 PolarHBondContact O-NE2 3.22Å; I725-L743 HydrophobicContact CB-CD2 4.36Å; I725-L743 HydrophobicContact CG2-CD2 4.01Å; I725-F838 HydrophobicContact CB-CD1 4.36Å; I725-F838 HydrophobicContact CB-CE1 4.12Å; I725-F838 HydrophobicContact CD1-CD1 3.8Å; I725-F838 HydrophobicContact CD1-CE1 4.42Å; I725-F838 HydrophobicContact CG1-CD1 3.9Å; I725-F838 HydrophobicContact CG1-CE1 4.07Å; I725-F838 WeakPolarHBondContact O-CE1 3.3Å; I725-L839 HydrophobicContact CB-CD2 4.31Å; I725-L839 HydrophobicContact CD1-CD1 3.99Å; I725-L839 HydrophobicContact CD1-CD2 4.09Å; I725-L839 HydrophobicContact CD1-CG 3.85Å; I725-L839 HydrophobicContact CG2-CD2 4.3Å
726T95.1Very high92.4Very high54 Ų5465.4 Ų65.433%0.33133%0.325SS..THydrogen-bonded Turntrans-91.70.6177.362.90000113.8Y722 V724 G728 F838Y722-T726 HydrophobicContact CD1-CG2 4.44Å; Y722-T726 HydrophobicContact CD2-CG2 3.9Å; Y722-T726 HydrophobicContact CE1-CG2 4.15Å; Y722-T726 HydrophobicContact CE2-CG2 3.52Å; Y722-T726 HydrophobicContact CG-CG2 4.35Å; Y722-T726 WeakPolarHBondContact O-CG2 3.01Å; Y722-T726 PolarHBondContact O-N 2.92Å; Y722-T726 PolarHBondContact O-OG1 3.43Å; V724-T726 PolarHBondContact O-N 3.29Å; T726-G728 PolarHBondContact O-N 3.3Å; T726-F838 HydrophobicContact CG2-CD1 4.27Å; T726-F838 HydrophobicContact CG2-CD2 3.88Å; T726-F838 HydrophobicContact CG2-CE1 4.22Å; T726-F838 HydrophobicContact CG2-CE2 3.82Å; T726-F838 HydrophobicContact CG2-CG 4.1Å; T726-F838 HydrophobicContact CG2-CZ 4Å
727S91.3Very high92.4Very high15 Ų1569 Ų6911%0.10535%0.347CS..  trans-57.9127.9-178.461.10000112.4E723 V724 Q739E723-S727 WeakPolarHBondContact O-CB 3.43Å; E723-S727 PolarHBondContact O-N 3.14Å; V724-S727 WeakPolarHBondContact O-CB 3.35Å; V724-S727 PolarHBondContact O-N 3.01Å; V724-S727 PolarHBondContact O-OG 3.47Å; S727-Q739 PolarHBondContact O-NE2 2.66Å; S727-Q739 PolarHBondContact O-OE1 3.49Å; S727-Q739 PolarHBondContact OG-NE2 2.98Å; S727-Q739 PolarHBondContact OG-OE1 3.08Å
728G85.7Confident92.4Very high41 Ų4165 Ų6542%0.42333%0.326SS..  trans-85.2177.3178.100000113.3T726 W730 A731T726-G728 PolarHBondContact O-N 3.3Å; G728-W730 PolarHBondContact O-N 2.73Å; G728-A731 VanDerWaalsContact O-CB 3.26Å; G728-A731 WeakPolarHBondContact O-CB 3.38Å; G728-A731 PolarHBondContact O-N 3.39Å
729H82.6Confident92.4Very high130 Ų13059.1 Ų59.160%0.60230%0.301SS*.THydrogen-bonded Turntrans-60.5-28.318061.1-81.8000114A731 R736H729-A731 VanDerWaalsContact C-N 3.28Å; H729-A731 PolarHBondContact O-N 3.42Å; H729-R736 PolarHBondContact O-NH1 3.26Å
730W83.1Confident92.4Very high224 Ų22463.9 Ų63.985%0.84832%0.321SS*.THydrogen-bonded Turntrans-74.2-11.3176.5-48.2109.7000114.7G728G728-W730 PolarHBondContact O-N 2.73Å
731A88.2Confident92.4Very high21 Ų2165.4 Ų65.417%0.17432%0.322CS..SBendtrans-69.5155.2-176.800000111.9G728 H729 I735 R736G728-A731 VanDerWaalsContact O-CB 3.26Å; G728-A731 WeakPolarHBondContact O-CB 3.38Å; G728-A731 PolarHBondContact O-N 3.39Å; H729-A731 VanDerWaalsContact C-N 3.28Å; H729-A731 PolarHBondContact O-N 3.42Å; A731-I735 HydrophobicContact CB-CG2 3.62Å; A731-R736 HydrophobicContact CB-CG 4.14Å; A731-R736 WeakPolarHBondContact O-CD 3.17Å; A731-R736 PolarHBondContact O-NE 3.07Å; A731-R736 PolarHBondContact O-NH1 2.81Å
732P90.1Very high92.4Very high73 Ų7365.1 Ų65.147%0.47432%0.32SS..  trans-52.5154.9177.4-27.434.7000114.2E734 I735 R736P732-E734 VanDerWaalsContact CB-OE2 3.26Å; P732-E734 WeakPolarHBondContact CB-OE2 3.49Å; P732-E734 PolarHBondContact O-N 3.46Å; P732-I735 HydrophobicContact CB-CG2 4.28Å; P732-I735 WeakPolarHBondContact O-CG2 3.38Å; P732-I735 PolarHBondContact O-N 2.82Å; P732-R736 WeakPolarHBondContact O-CG 3.35Å; P732-R736 PolarHBondContact O-N 3.39Å
733S91.3Very high92.5Very high64 Ų6462.2 Ų62.245%0.44831%0.309SS..Hα-helixtrans-62.2-33.4-174.1-163.20000113.1T737S733-T737 WeakPolarHBondContact O-CB 3.45Å; S733-T737 PolarHBondContact O-N 3Å; S733-T737 PolarHBondContact O-OG1 2.92Å
734E91.4Very high92.6Very high123 Ų12359.4 Ų59.458%0.57530%0.298SS*.Hα-helixtrans-66.9-46.8-177.3-5579.9-17700111.3A715 P732 T737 L738A715-E734 HydrophobicContact CB-CB 4.21Å; P732-E734 VanDerWaalsContact CB-OE2 3.26Å; P732-E734 WeakPolarHBondContact CB-OE2 3.49Å; P732-E734 PolarHBondContact O-N 3.46Å; E734-T737 PolarHBondContact O-N 3.44Å; E734-L738 PolarHBondContact O-N 2.65Å
735I92.9Very high92.6Very high9 Ų959.6 Ų59.65%0.04630%0.299CS..Hα-helixtrans-69.3-39.7178.4-169.4173.3000111.2F719 V724 A731 P732 T737 L738 Q739F719-I735 HydrophobicContact CB-CD1 4.08Å; F719-I735 HydrophobicContact CD1-CD1 3.96Å; F719-I735 HydrophobicContact CD2-CB 4.19Å; F719-I735 HydrophobicContact CD2-CD1 3.89Å; F719-I735 HydrophobicContact CD2-CG1 4.18Å; F719-I735 HydrophobicContact CE1-CD1 4.35Å; F719-I735 HydrophobicContact CE2-CB 4.16Å; F719-I735 HydrophobicContact CE2-CD1 4.29Å; F719-I735 HydrophobicContact CG-CD1 3.71Å; F719-I735 HydrophobicContact CG-CG1 4.42Å; F719-I735 HydrophobicContact CZ-CD1 4.49Å; V724-I735 HydrophobicContact CB-CG1 4.45Å; V724-I735 HydrophobicContact CG2-CD1 4.38Å; V724-I735 HydrophobicContact CG2-CG1 4.1Å; A731-I735 HydrophobicContact CB-CG2 3.62Å; P732-I735 HydrophobicContact CB-CG2 4.28Å; P732-I735 WeakPolarHBondContact O-CG2 3.38Å; P732-I735 PolarHBondContact O-N 2.82Å; I735-T737 VanDerWaalsContact C-N 3.33Å; I735-T737 PolarHBondContact O-N 3.27Å; I735-L738 PolarHBondContact O-N 2.68Å; I735-Q739 WeakPolarHBondContact O-CB 3.49Å; I735-Q739 PolarHBondContact O-N 3.14Å
736R92.8Very high92.6Very high94 Ų9459.6 Ų59.636%0.35530%0.299SS..Hα-helixtrans-62.8-39.5174.5-67.7-171.3-49.8-125.4-8.3112H729 A731 P732 Q739 K740H729-R736 PolarHBondContact O-NH1 3.26Å; A731-R736 HydrophobicContact CB-CG 4.14Å; A731-R736 WeakPolarHBondContact O-CD 3.17Å; A731-R736 PolarHBondContact O-NE 3.07Å; A731-R736 PolarHBondContact O-NH1 2.81Å; P732-R736 WeakPolarHBondContact O-CG 3.35Å; P732-R736 PolarHBondContact O-N 3.39Å; R736-Q739 PolarHBondContact O-N 2.86Å; R736-K740 WeakPolarHBondContact O-CB 3.3Å; R736-K740 PolarHBondContact O-N 2.92Å
737T93.6Very high92.8Very high76 Ų7660.2 Ų60.247%0.46630%0.296SS..Hα-helixtrans-64.1-44.8176.7-61.80000110.7S733 E734 I735 K740 R741S733-T737 WeakPolarHBondContact O-CB 3.45Å; S733-T737 PolarHBondContact O-N 3Å; S733-T737 PolarHBondContact O-OG1 2.92Å; E734-T737 PolarHBondContact O-N 3.44Å; I735-T737 VanDerWaalsContact C-N 3.33Å; I735-T737 PolarHBondContact O-N 3.27Å; T737-K740 PolarHBondContact O-N 3.42Å; T737-R741 VanDerWaalsContact O-CG 3.32Å; T737-R741 WeakPolarHBondContact O-CG 3.28Å; T737-R741 PolarHBondContact O-N 3.1Å; T737-R741 VanDerWaalsContact O-N 3.13Å
738L95.1Very high93.1Very high5 Ų559.7 Ų59.73%0.02629%0.291CS..Hα-helixtrans-63.5-46.5176.1-178.259.3000111.6Y705 Q708 A715 A716 V724 E734 I735 K740 R741 C742Y705-L738 HydrophobicContact CD2-CD2 4.24Å; Y705-L738 HydrophobicContact CE2-CD2 4.49Å; Q708-L738 HydrophobicContact CB-CD1 4.07Å; Q708-L738 HydrophobicContact CG-CD1 3.74Å; A715-L738 HydrophobicContact CB-CD2 4.02Å; A716-L738 HydrophobicContact CB-CD2 3.72Å; V724-L738 HydrophobicContact CG1-CB 4.35Å; V724-L738 HydrophobicContact CG1-CD2 4.14Å; V724-L738 HydrophobicContact CG1-CG 3.9Å; V724-L738 HydrophobicContact CG2-CD2 3.89Å; E734-L738 PolarHBondContact O-N 2.65Å; I735-L738 PolarHBondContact O-N 2.68Å; L738-K740 PolarHBondContact O-N 2.91Å; L738-R741 PolarHBondContact O-N 3.21Å; L738-C742 PolarHBondContact O-N 3Å; L738-C742 PolarHBondContact O-SG 3.01Å
739Q96.4Very high93.7Very high37 Ų3758.1 Ų58.117%0.17327%0.274CS..Hα-helixtrans-54.2-52.5174.9-178.7-165.647.100111.1V724 I725 S727 I735 R736 R741 C742 L743V724-Q739 HydrophobicContact CG1-CB 4.1Å; V724-Q739 VanDerWaalsContact O-CB 3.27Å; V724-Q739 WeakPolarHBondContact O-CB 3.42Å; V724-Q739 WeakPolarHBondContact O-CG 3.28Å; V724-Q739 PolarHBondContact O-NE2 2.88Å; I725-Q739 PolarHBondContact O-NE2 3.22Å; S727-Q739 PolarHBondContact O-NE2 2.66Å; S727-Q739 PolarHBondContact O-OE1 3.49Å; S727-Q739 PolarHBondContact OG-NE2 2.98Å; S727-Q739 PolarHBondContact OG-OE1 3.08Å; I735-Q739 WeakPolarHBondContact O-CB 3.49Å; I735-Q739 PolarHBondContact O-N 3.14Å; R736-Q739 PolarHBondContact O-N 2.86Å; Q739-R741 VanDerWaalsContact C-N 3.27Å; Q739-R741 PolarHBondContact O-N 3.42Å; Q739-C742 CarbonylContact O-C 3.46Å; Q739-C742 WeakPolarHBondContact O-CA 3.27Å; Q739-C742 WeakPolarHBondContact O-CB 3.42Å; Q739-C742 PolarHBondContact O-N 2.64Å; Q739-L743 HydrophobicContact CG-CD1 3.68Å; Q739-L743 HydrophobicContact CG-CG 4.16Å; Q739-L743 WeakPolarHBondContact O-CG 3.49Å; Q739-L743 PolarHBondContact O-N 3.33Å
740K94.7Very high94.4Very high143 Ų14355.6 Ų55.662%0.62226%0.264SS*.Hα-helixtrans-57-41.8179.9-170.8177.4-179.4177.80111.5R736 T737 L738 L743 T744R736-K740 WeakPolarHBondContact O-CB 3.3Å; R736-K740 PolarHBondContact O-N 2.92Å; T737-K740 PolarHBondContact O-N 3.42Å; L738-K740 PolarHBondContact O-N 2.91Å; K740-L743 PolarHBondContact O-N 3.05Å; K740-T744 WeakPolarHBondContact CG-OG1 3.39Å; K740-T744 VanDerWaalsContact O-CB 3.26Å; K740-T744 WeakPolarHBondContact O-CB 3.42Å; K740-T744 PolarHBondContact O-N 2.98Å; K740-T744 PolarHBondContact O-OG1 3.31Å
741R95.3Very high95.2Very high108 Ų10845.1 Ų45.141%0.40823%0.225SC..Hα-helixtrans-70.1-31.1177.5-66.1179.574.9-174.87.8113.1R700 W704 T737 L738 Q739 P745R700-R741 PolarHBondContact NH2-O 2.99Å; W704-R741 VanDerWaalsContact CZ2-CZ 3.41Å; T737-R741 VanDerWaalsContact O-CG 3.32Å; T737-R741 WeakPolarHBondContact O-CG 3.28Å; T737-R741 PolarHBondContact O-N 3.1Å; T737-R741 VanDerWaalsContact O-N 3.13Å; L738-R741 PolarHBondContact O-N 3.21Å; Q739-R741 VanDerWaalsContact C-N 3.27Å; Q739-R741 PolarHBondContact O-N 3.42Å; R741-P745 WeakPolarHBondContact O-CD 3.34Å
742C96.9Very high95.6Very high0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-67.8-49.7170.3-69.80000111.4R700 A701 L738 Q739R700-C742 PolarHBondContact NH1-O 3.1Å; A701-C742 HydrophobicContact CB-CB 4.29Å; A701-C742 VanDerWaalsContact CB-O 3.3Å; A701-C742 WeakPolarHBondContact CB-O 3.26Å; L738-C742 PolarHBondContact O-N 3Å; L738-C742 PolarHBondContact O-SG 3.01Å; Q739-C742 CarbonylContact O-C 3.46Å; Q739-C742 WeakPolarHBondContact O-CA 3.27Å; Q739-C742 WeakPolarHBondContact O-CB 3.42Å; Q739-C742 PolarHBondContact O-N 2.64Å
743L97.4Very high96Very high4 Ų444 Ų442%0.02121%0.21CC..Hα-helixtrans-90.7-52.9-166.4-59.2-175.3000113.9A701 I725 Q739 K740 G746 L839 Y842 Y843A701-L743 HydrophobicContact CB-CD2 4.44Å; I725-L743 HydrophobicContact CB-CD2 4.36Å; I725-L743 HydrophobicContact CG2-CD2 4.01Å; Q739-L743 HydrophobicContact CG-CD1 3.68Å; Q739-L743 HydrophobicContact CG-CG 4.16Å; Q739-L743 WeakPolarHBondContact O-CG 3.49Å; Q739-L743 PolarHBondContact O-N 3.33Å; K740-L743 PolarHBondContact O-N 3.05Å; L743-G746 WeakPolarHBondContact O-CA 3.34Å; L743-G746 PolarHBondContact O-N 3.48Å; L743-L839 HydrophobicContact CD2-CD2 3.49Å; L743-L839 VanDerWaalsContact CD2-CD2 3.49Å; L743-Y842 HydrophobicContact CB-CE1 4.05Å; L743-Y842 HydrophobicContact CD1-CE1 4.14Å; L743-Y842 HydrophobicContact CD1-CE2 4.22Å; L743-Y842 HydrophobicContact CD2-CE1 4.33Å; L743-Y842 HydrophobicContact CG-CE1 4.4Å; L743-Y843 VanDerWaalsContact CA-OH 3.31Å; L743-Y843 WeakPolarHBondContact CA-OH 3.27Å; L743-Y843 PolarHBondContact O-OH 2.84Å
744T96.8Very high96.3Very high25 Ų2543.3 Ų43.315%0.15320%0.197CC..G310 helixtrans-56.4-45-169-62.60000113.9K740 G746 W747 H751K740-T744 WeakPolarHBondContact CG-OG1 3.39Å; K740-T744 VanDerWaalsContact O-CB 3.26Å; K740-T744 WeakPolarHBondContact O-CB 3.42Å; K740-T744 PolarHBondContact O-N 2.98Å; K740-T744 PolarHBondContact O-OG1 3.31Å; T744-G746 PolarHBondContact O-N 3.21Å; T744-W747 HydrophobicContact CG2-CD2 4.27Å; T744-W747 HydrophobicContact CG2-CE3 3.75Å; T744-W747 HydrophobicContact CG2-CH2 4.41Å; T744-W747 HydrophobicContact CG2-CZ3 3.83Å; T744-W747 WeakPolarHBondContact O-CB 3.47Å; T744-W747 VanDerWaalsContact O-CG 3.28Å; T744-W747 PolarHBondContact O-N 2.69Å; T744-H751 PolarHBondContact O-NE2 3.35Å; T744-H751 VanDerWaalsContact O-NE2 3.1Å
745P97.3Very high96.7Very high5 Ų537.7 Ų37.73%0.03217%0.171CC..G310 helixtrans-68.6-3179-14.227.6000114.5H673 R700 R741 W747 Y748H673-P745 HydrophobicContact CB-CB 4.01Å; H673-P745 HydrophobicContact CB-CG 4.37Å; R700-P745 VanDerWaalsContact CZ-CB 3.49Å; R741-P745 WeakPolarHBondContact O-CD 3.34Å; P745-W747 VanDerWaalsContact C-N 3.35Å; P745-Y748 VanDerWaalsContact O-CE1 3.29Å; P745-Y748 WeakPolarHBondContact O-CE1 3.48Å
746G97.8Very high96.9Very high0 Ų038.9 Ų38.90%018%0.177CC..G310 helixtrans-81.1-7.5168.100000114.2L743 T744 Y748L743-G746 WeakPolarHBondContact O-CA 3.34Å; L743-G746 PolarHBondContact O-N 3.48Å; T744-G746 PolarHBondContact O-N 3.21Å; G746-Y748 PolarHBondContact O-N 3Å
747W98Very high97.1Very high68 Ų6839.4 Ų39.426%0.25819%0.191SC..  trans-78.363177.1-58.7-19.1000111.8T744 P745 A749 I750 H751 Y842 Y843 H846T744-W747 HydrophobicContact CG2-CD2 4.27Å; T744-W747 HydrophobicContact CG2-CE3 3.75Å; T744-W747 HydrophobicContact CG2-CH2 4.41Å; T744-W747 HydrophobicContact CG2-CZ3 3.83Å; T744-W747 WeakPolarHBondContact O-CB 3.47Å; T744-W747 VanDerWaalsContact O-CG 3.28Å; T744-W747 PolarHBondContact O-N 2.69Å; P745-W747 VanDerWaalsContact C-N 3.35Å; W747-A749 PolarHBondContact O-N 2.77Å; W747-I750 HydrophobicContact CB-CB 4.4Å; W747-I750 HydrophobicContact CB-CD1 4.11Å; W747-I750 HydrophobicContact CB-CG1 4.47Å; W747-I750 HydrophobicContact CD2-CD1 4.44Å; W747-I750 HydrophobicContact CE3-CD1 4.11Å; W747-I750 HydrophobicContact CG-CD1 4.49Å; W747-I750 PolarHBondContact O-N 3.1Å; W747-H751 PolarHBondContact O-CD2 3.26Å; W747-H751 VanDerWaalsContact O-CD2 3.27Å; W747-H751 PolarHBondContact O-N 3.42Å; W747-Y842 VanDerWaalsContact CZ2-OH 3.28Å; W747-Y842 WeakPolarHBondContact CZ2-OH 3.5Å; W747-Y842 AromaticContact NE1-CE1 3.74Å; W747-Y842 AromaticContact NE1-CZ 3.79Å; W747-Y842 PolarHBondContact NE1-OH 3.18Å; W747-Y843 AromaticContact CD1-CE1 3.91Å; W747-H846 AromaticContact CD1-CD2 3.63Å; W747-H846 AromaticContact CD1-CE1 3.47Å; W747-H846 VanDerWaalsContact CD1-CE1 3.47Å; W747-H846 AromaticContact CD1-CG 3.86Å; W747-H846 AromaticContact CD1-ND1 3.77Å; W747-H846 AromaticContact CD1-NE2 3.35Å; W747-H846 VanDerWaalsContact CD1-NE2 3.35Å; W747-H846 AromaticContact CD2-CE1 3.97Å; W747-H846 AromaticContact CE2-NE2 3.83Å; W747-H846 AromaticContact CG-CE1 3.67Å; W747-H846 AromaticContact CG-ND1 3.96Å; W747-H846 AromaticContact CG-NE2 3.99Å; W747-H846 AromaticContact NE1-CD2 3.78Å; W747-H846 AromaticContact NE1-CE1 3.65Å; W747-H846 AromaticContact NE1-NE2 3.2Å; W747-H846 PolarHBondContact NE1-NE2 2.94Å; W747-H846 VanDerWaalsContact NE1-NE2 3.2Å
748Y98.4Very high97.3Very high3 Ų339.6 Ų39.61%0.01219%0.187CC..Hα-helixtrans-57.5-43.6-166-59-34.4000114P603 F672 L694 I695 P697 P745 G746 I750 H751 I752 L850 W864P603-Y748 HydrophobicContact CG-CD1 4.4Å; P603-Y748 HydrophobicContact CG-CE1 3.81Å; F672-Y748 AromaticContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CD1 3.8Å; F672-Y748 HydrophobicContact CE1-CE1 4.45Å; F672-Y748 AromaticContact CZ-CD1 3.89Å; F672-Y748 HydrophobicContact CZ-CD1 3.89Å; L694-Y748 HydrophobicContact CB-CD2 4.48Å; L694-Y748 HydrophobicContact CB-CE2 4.36Å; L694-Y748 HydrophobicContact CD1-CD2 4.26Å; L694-Y748 HydrophobicContact CD1-CG 4.39Å; L694-Y748 HydrophobicContact CD2-CD1 3.86Å; L694-Y748 HydrophobicContact CD2-CD2 4.13Å; L694-Y748 HydrophobicContact CD2-CE1 4.15Å; L694-Y748 HydrophobicContact CD2-CE2 4.4Å; L694-Y748 HydrophobicContact CD2-CG 3.85Å; I695-Y748 VanDerWaalsContact O-CE2 3.26Å; I695-Y748 WeakPolarHBondContact O-CE2 3.48Å; I695-Y748 PolarHBondContact O-OH 3.45Å; I695-Y748 VanDerWaalsContact O-OH 3.1Å; P697-Y748 HydrophobicContact CB-CE2 3.92Å; P697-Y748 HydrophobicContact CG-CE2 4.41Å; P745-Y748 VanDerWaalsContact O-CE1 3.29Å; P745-Y748 WeakPolarHBondContact O-CE1 3.48Å; G746-Y748 PolarHBondContact O-N 3Å; Y748-I750 PolarHBondContact O-N 3.11Å; Y748-H751 PolarHBondContact O-N 3.32Å; Y748-I752 WeakPolarHBondContact O-CB 3.42Å; Y748-I752 WeakPolarHBondContact O-CD1 3.42Å; Y748-I752 VanDerWaalsContact O-CG1 3.25Å; Y748-I752 WeakPolarHBondContact O-CG1 3.43Å; Y748-I752 PolarHBondContact O-N 2.86Å; Y748-L850 HydrophobicContact CD2-CD2 3.85Å; Y748-L850 HydrophobicContact CG-CD2 4.43Å; Y748-W864 AromaticContact CD2-CH2 3.96Å; Y748-W864 HydrophobicContact CD2-CH2 3.96Å; Y748-W864 HydrophobicContact CD2-CZ2 4.19Å; Y748-W864 AromaticContact CE2-CH2 3.88Å; Y748-W864 HydrophobicContact CE2-CH2 3.88Å; Y748-W864 AromaticContact CE2-CZ2 3.99Å; Y748-W864 HydrophobicContact CE2-CZ2 3.99Å
749A98.1Very high97.5Very high8 Ų839.6 Ų39.67%0.06619%0.186CC..Hα-helixtrans-58.2-46.9-179.900000112.4W747 H751 I752 E753 E849 L850 L853W747-A749 PolarHBondContact O-N 2.77Å; A749-H751 VanDerWaalsContact C-N 3.34Å; A749-H751 PolarHBondContact O-N 2.79Å; A749-I752 PolarHBondContact O-N 2.97Å; A749-E753 WeakPolarHBondContact O-CB 3.35Å; A749-E753 VanDerWaalsContact O-CG 3.24Å; A749-E753 WeakPolarHBondContact O-CG 3.35Å; A749-E753 PolarHBondContact O-N 2.8Å; A749-E849 HydrophobicContact CB-CB 4.07Å; A749-L850 HydrophobicContact CB-CB 4.23Å; A749-L853 HydrophobicContact CB-CD2 4.17Å
750I97.6Very high97.5Very high77 Ų7740.7 Ų40.740%0.39520%0.197SC..Hα-helixtrans-60.1-45.7-179.8-62.3179000110.8W747 Y748 R754W747-I750 HydrophobicContact CB-CB 4.4Å; W747-I750 HydrophobicContact CB-CD1 4.11Å; W747-I750 HydrophobicContact CB-CG1 4.47Å; W747-I750 HydrophobicContact CD2-CD1 4.44Å; W747-I750 HydrophobicContact CE3-CD1 4.11Å; W747-I750 HydrophobicContact CG-CD1 4.49Å; W747-I750 PolarHBondContact O-N 3.1Å; Y748-I750 PolarHBondContact O-N 3.11Å; I750-R754 PolarHBondContact O-N 2.92Å
751H98.4Very high97.6Very high4 Ų436.3 Ų36.32%0.01919%0.187CC..Hα-helixtrans-70.2-42.4-178.4-64.7-41.7000111.9F672 T744 W747 Y748 A749 R754 W755F672-H751 HydrophobicContact CD1-CB 3.91Å; F672-H751 HydrophobicContact CE1-CB 3.48Å; F672-H751 VanDerWaalsContact CE1-CB 3.48Å; F672-H751 AromaticContact CE1-CD2 3.64Å; F672-H751 AromaticContact CE1-CG 3.88Å; F672-H751 HydrophobicContact CE2-CB 4.28Å; F672-H751 HydrophobicContact CG-CB 4.49Å; F672-H751 HydrophobicContact CZ-CB 3.69Å; T744-H751 PolarHBondContact O-NE2 3.35Å; T744-H751 VanDerWaalsContact O-NE2 3.1Å; W747-H751 PolarHBondContact O-CD2 3.26Å; W747-H751 VanDerWaalsContact O-CD2 3.27Å; W747-H751 PolarHBondContact O-N 3.42Å; Y748-H751 PolarHBondContact O-N 3.32Å; A749-H751 VanDerWaalsContact C-N 3.34Å; A749-H751 PolarHBondContact O-N 2.79Å; H751-R754 PolarHBondContact ND1-NH1 3.1Å; H751-R754 WeakPolarHBondContact O-CB 3.4Å; H751-R754 PolarHBondContact O-N 3.08Å; H751-W755 VanDerWaalsContact O-CD1 3.29Å; H751-W755 PolarHBondContact O-N 3.35Å
752I98.5Very high97.6Very high2 Ų235.9 Ų35.91%0.0120%0.2CC..Hα-helixtrans-63.5-44.4177.2-68164.1000110.9F672 L694 Y748 A749 R754 W755 L756 L764 I766 L850 L853 L857F672-I752 HydrophobicContact CE2-CG1 3.88Å; F672-I752 HydrophobicContact CZ-CG1 4.1Å; L694-I752 HydrophobicContact CD1-CD1 4.12Å; Y748-I752 WeakPolarHBondContact O-CB 3.42Å; Y748-I752 WeakPolarHBondContact O-CD1 3.42Å; Y748-I752 VanDerWaalsContact O-CG1 3.25Å; Y748-I752 WeakPolarHBondContact O-CG1 3.43Å; Y748-I752 PolarHBondContact O-N 2.86Å; A749-I752 PolarHBondContact O-N 2.97Å; I752-R754 PolarHBondContact O-N 2.98Å; I752-W755 PolarHBondContact O-N 3.38Å; I752-L756 HydrophobicContact CG2-CD1 3.81Å; I752-L756 HydrophobicContact CG2-CG 4.2Å; I752-L756 WeakPolarHBondContact O-CG 3.45Å; I752-L756 PolarHBondContact O-N 3.19Å; I752-L764 HydrophobicContact CG2-CD2 3.77Å; I752-I766 HydrophobicContact CD1-CD1 4.08Å; I752-I766 HydrophobicContact CG2-CD1 4.47Å; I752-L850 HydrophobicContact CD1-CD1 3.93Å; I752-L853 HydrophobicContact CB-CD2 3.83Å; I752-L853 HydrophobicContact CG2-CD2 3.71Å; I752-L857 HydrophobicContact CG2-CD1 4.5Å
753E97.8Very high97.7Very high68 Ų6837.8 Ų37.832%0.31821%0.209SC..Hα-helixtrans-56-40.6175.8-74.2-77.6-155.800111.7A749 W755 L756 T757 L853 R856A749-E753 WeakPolarHBondContact O-CB 3.35Å; A749-E753 VanDerWaalsContact O-CG 3.24Å; A749-E753 WeakPolarHBondContact O-CG 3.35Å; A749-E753 PolarHBondContact O-N 2.8Å; E753-W755 VanDerWaalsContact C-N 3.32Å; E753-W755 PolarHBondContact O-N 3.38Å; E753-L756 CarbonylContact O-C 3.55Å; E753-L756 PolarHBondContact O-N 3.44Å; E753-L756 VanDerWaalsContact O-N 3.11Å; E753-T757 PolarHBondContact O-N 3.35Å; E753-T757 PolarHBondContact O-OG1 2.99Å; E753-L853 HydrophobicContact CG-CD1 4.31Å; E753-L853 HydrophobicContact CG-CD2 4.15Å; E753-R856 IonicContact OE1-CZ 3.62Å; E753-R856 IonicContact OE1-NH1 3.66Å; E753-R856 PolarHBondContact OE1-NH1 3.39Å; E753-R856 IonicContact OE1-NH2 2.93Å; E753-R856 PolarHBondContact OE1-NH2 3.12Å; E753-R856 IonicContact OE2-CZ 3.05Å; E753-R856 IonicContact OE2-NH1 2.65Å; E753-R856 IonicContact OE2-NH2 2.94Å; E753-R856 PolarHBondContact OE2-NH2 3.5Å
754R97.9Very high97.7Very high51 Ų5138.2 Ų38.219%0.19221%0.211CC..Hα-helixtrans-61.4-39175.9-165.9-171.6-62.3141.7-3112.9H673 S674 P678 I750 H751 I752 T757H673-R754 PolarHBondContact O-NH1 3.1Å; S674-R754 PolarHBondContact O-NH1 2.85Å; P678-R754 HydrophobicContact CG-CG 4.06Å; I750-R754 PolarHBondContact O-N 2.92Å; H751-R754 PolarHBondContact ND1-NH1 3.1Å; H751-R754 WeakPolarHBondContact O-CB 3.4Å; H751-R754 PolarHBondContact O-N 3.08Å; I752-R754 PolarHBondContact O-N 2.98Å; R754-T757 WeakPolarHBondContact O-CB 3.49Å
755W98.4Very high97.8Very high4 Ų437.9 Ų37.92%0.01521%0.209CC..Hα-helixtrans-68.5-38.2173.8-79.188.4000111.6I601 F672 A677 P678 A681 I690 H751 I752 E753 T757 H758 Y759I601-W755 HydrophobicContact CB-CH2 4.39Å; I601-W755 HydrophobicContact CB-CZ2 4.07Å; I601-W755 HydrophobicContact CD1-CD2 3.69Å; I601-W755 VanDerWaalsContact CD1-CE2 3.45Å; I601-W755 HydrophobicContact CD1-CE3 4.31Å; I601-W755 HydrophobicContact CD1-CG 3.98Å; I601-W755 HydrophobicContact CD1-CZ2 3.95Å; I601-W755 HydrophobicContact CG2-CH2 3.6Å; I601-W755 HydrophobicContact CG2-CZ2 3.78Å; I601-W755 HydrophobicContact CG2-CZ3 4.08Å; F672-W755 PolarHBondContact O-NE1 3.24Å; A677-W755 HydrophobicContact CB-CZ2 4.25Å; P678-W755 HydrophobicContact CB-CD2 4.08Å; P678-W755 HydrophobicContact CB-CE3 4.22Å; P678-W755 HydrophobicContact CB-CG 4.4Å; P678-W755 HydrophobicContact CG-CD2 3.84Å; P678-W755 HydrophobicContact CG-CE3 4.41Å; P678-W755 HydrophobicContact CG-CG 4.04Å; P678-W755 HydrophobicContact CG-CZ2 4.04Å; A681-W755 HydrophobicContact CB-CH2 4.32Å; A681-W755 HydrophobicContact CB-CZ3 4.27Å; I690-W755 HydrophobicContact CD1-CE3 4.16Å; I690-W755 HydrophobicContact CD1-CZ3 3.74Å; I690-W755 HydrophobicContact CG1-CE3 4.16Å; I690-W755 HydrophobicContact CG1-CZ3 4.26Å; I690-W755 HydrophobicContact CG2-CD2 4.4Å; I690-W755 HydrophobicContact CG2-CE3 3.94Å; I690-W755 HydrophobicContact CG2-CZ3 4.26Å; H751-W755 VanDerWaalsContact O-CD1 3.29Å; H751-W755 PolarHBondContact O-N 3.35Å; I752-W755 PolarHBondContact O-N 3.38Å; E753-W755 VanDerWaalsContact C-N 3.32Å; E753-W755 PolarHBondContact O-N 3.38Å; W755-T757 VanDerWaalsContact C-N 3.25Å; W755-T757 PolarHBondContact O-N 3.1Å; W755-H758 PolarHBondContact O-N 3.44Å; W755-Y759 AromaticContact CE3-CD2 3.9Å; W755-Y759 HydrophobicContact CE3-CD2 3.9Å; W755-Y759 HydrophobicContact CE3-CE2 4.07Å; W755-Y759 HydrophobicContact CZ3-CD2 4.23Å; W755-Y759 AromaticContact CZ3-CE2 3.91Å; W755-Y759 HydrophobicContact CZ3-CE2 3.91Å; W755-Y759 PolarHBondContact O-N 2.69Å
756L97.8Very high97.8Very high34 Ų3438.5 Ų38.518%0.17821%0.212CC..Hα-helixtrans-67.9-20.9177.8-69.1170.7000113.8I752 E753 H758 Y759 A761 L764 L853 L857I752-L756 HydrophobicContact CG2-CD1 3.81Å; I752-L756 HydrophobicContact CG2-CG 4.2Å; I752-L756 WeakPolarHBondContact O-CG 3.45Å; I752-L756 PolarHBondContact O-N 3.19Å; E753-L756 CarbonylContact O-C 3.55Å; E753-L756 PolarHBondContact O-N 3.44Å; E753-L756 VanDerWaalsContact O-N 3.11Å; L756-H758 PolarHBondContact O-N 3.12Å; L756-Y759 WeakPolarHBondContact CA-O 3.39Å; L756-A761 HydrophobicContact CD2-CB 4.16Å; L756-L764 HydrophobicContact CD2-CD2 3.97Å; L756-L764 HydrophobicContact CG-CD2 4.3Å; L756-L853 HydrophobicContact CD1-CD1 3.96Å; L756-L857 HydrophobicContact CD1-CD1 4.06Å; L756-L857 HydrophobicContact CD1-CD2 3.87Å; L756-L857 HydrophobicContact CD1-CG 4.46Å; L756-L857 HydrophobicContact CD2-CD2 4.2Å
757T97.6Very high97.7Very high106 Ų10638.6 Ų38.665%0.6521%0.212SC*.THydrogen-bonded Turntrans-61.8-26.2169.3-55.30000112.5E753 R754 W755E753-T757 PolarHBondContact O-N 3.35Å; E753-T757 PolarHBondContact O-OG1 2.99Å; R754-T757 WeakPolarHBondContact O-CB 3.49Å; W755-T757 VanDerWaalsContact C-N 3.25Å; W755-T757 PolarHBondContact O-N 3.1Å
758H98Very high97.6Very high80 Ų8036.4 Ų36.437%0.3721%0.205SC..THydrogen-bonded Turntrans-118.7-25.8-173-65.1-71.6000114.3A682 W755 L756A682-H758 HydrophobicContact CB-CB 3.74Å; W755-H758 PolarHBondContact O-N 3.44Å; L756-H758 PolarHBondContact O-N 3.12Å
759Y97.6Very high97.5Very high4 Ų436.5 Ų36.52%0.01621%0.207CC..SBendtrans-118.8135.4177.8-76-88.2000110.2A681 A682 I685 P686 A688 I690 W755 L756 Q763A681-Y759 HydrophobicContact CB-CE2 4.35Å; A681-Y759 PolarHBondContact O-OH 3.18Å; A682-Y759 WeakPolarHBondContact CA-OH 3.26Å; A682-Y759 HydrophobicContact CB-CD2 4.32Å; A682-Y759 HydrophobicContact CB-CE2 3.73Å; A682-Y759 PolarHBondContact N-OH 3.19Å; I685-Y759 PolarHBondContact O-OH 3.32Å; P686-Y759 WeakPolarHBondContact O-CE1 3.43Å; A688-Y759 VanDerWaalsContact O-CE1 3.32Å; A688-Y759 WeakPolarHBondContact O-CE1 3.38Å; I690-Y759 HydrophobicContact CD1-CD1 4.33Å; I690-Y759 HydrophobicContact CD1-CD2 4.33Å; I690-Y759 HydrophobicContact CD1-CE1 4.03Å; I690-Y759 HydrophobicContact CD1-CE2 4.02Å; I690-Y759 HydrophobicContact CD1-CG 4.47Å; I690-Y759 HydrophobicContact CG1-CD1 3.91Å; I690-Y759 HydrophobicContact CG1-CD2 4.07Å; I690-Y759 HydrophobicContact CG1-CE1 4.13Å; I690-Y759 HydrophobicContact CG1-CE2 4.27Å; I690-Y759 HydrophobicContact CG1-CG 3.88Å; W755-Y759 AromaticContact CE3-CD2 3.9Å; W755-Y759 HydrophobicContact CE3-CD2 3.9Å; W755-Y759 HydrophobicContact CE3-CE2 4.07Å; W755-Y759 HydrophobicContact CZ3-CD2 4.23Å; W755-Y759 AromaticContact CZ3-CE2 3.91Å; W755-Y759 HydrophobicContact CZ3-CE2 3.91Å; W755-Y759 PolarHBondContact O-N 2.69Å; L756-Y759 WeakPolarHBondContact CA-O 3.39Å; Y759-Q763 HydrophobicContact CD1-CB 4.25Å
760P97Very high97.2Very high61 Ų6139.2 Ų39.240%0.39622%0.219SC..  trans-64.6152.4173.829.4-34.8000110.4S762 Q763P760-S762 PolarHBondContact O-N 2.89Å; P760-S762 VanDerWaalsContact O-N 3.08Å; P760-Q763 HydrophobicContact CG-CB 4.13Å; P760-Q763 HydrophobicContact CG-CG 3.92Å; P760-Q763 PolarHBondContact O-N 3.49Å
761A96.4Very high97.1Very high50 Ų5038.4 Ų38.441%0.41321%0.213SC..G310 helixtrans-54.2-31.6178.600000113.3L756 Q763 L764 L857L756-A761 HydrophobicContact CD2-CB 4.16Å; A761-Q763 PolarHBondContact O-N 3.01Å; A761-L764 PolarHBondContact O-N 3.4Å; A761-L764 VanDerWaalsContact O-N 3.1Å; A761-L857 HydrophobicContact CB-CD2 3.69Å
762S96.7Very high96.9Very high99 Ų9938.6 Ų38.669%0.69221%0.214SC*.G310 helixtrans-66.6-18.1176.656.90000114.3P760P760-S762 PolarHBondContact O-N 2.89Å; P760-S762 VanDerWaalsContact O-N 3.08Å
763Q98Very high96.7Very high40 Ų4046 Ų4619%0.18724%0.242CC..G310 helixtrans-94.84.6174-76.7178.1-110.900112.6P686 K687 A688 I690 Y759 P760 A761P686-Q763 PolarHBondContact O-NE2 3.34Å; K687-Q763 VanDerWaalsContact C-NE2 3.34Å; A688-Q763 PolarHBondContact O-NE2 3.14Å; I690-Q763 PolarHBondContact N-O 3.49Å; Y759-Q763 HydrophobicContact CD1-CB 4.25Å; P760-Q763 HydrophobicContact CG-CB 4.13Å; P760-Q763 HydrophobicContact CG-CG 3.92Å; P760-Q763 PolarHBondContact O-N 3.49Å; A761-Q763 PolarHBondContact O-N 3.01Å
764L98Very high96.6Very high13 Ų1346.6 Ų46.67%0.06825%0.254CS..EExtended strand (participates in β ladder)trans-116.3125.2-179.2-179.667000111.7I690 T692 I752 L756 A761 I766I690-L764 HydrophobicContact CB-CD1 3.92Å; I690-L764 HydrophobicContact CG2-CD1 3.64Å; I690-L764 CarbonylContact O-C 3.5Å; I690-L764 WeakPolarHBondContact O-CA 3.28Å; T692-L764 HydrophobicContact CG2-CD1 4.29Å; I752-L764 HydrophobicContact CG2-CD2 3.77Å; L756-L764 HydrophobicContact CD2-CD2 3.97Å; L756-L764 HydrophobicContact CG-CD2 4.3Å; A761-L764 PolarHBondContact O-N 3.4Å; A761-L764 VanDerWaalsContact O-N 3.1Å; L764-I766 HydrophobicContact CD2-CD1 4.25Å; L764-I766 HydrophobicContact CD2-CG1 4.23Å; L764-I766 HydrophobicContact CG-CG1 4.2Å
765L98Very high96.5Very high18 Ų1846.9 Ų46.99%0.09426%0.259CS..EExtended strand (participates in β ladder)trans-110.7128169.3179.867000110.4I690 I691 T692 I767 V783 F786I690-L765 PolarHBondContact O-N 2.84Å; I691-L765 WeakPolarHBondContact CA-O 3.3Å; I691-L765 HydrophobicContact CG1-CB 4.34Å; I691-L765 HydrophobicContact CG1-CD2 4.48Å; I691-L765 HydrophobicContact CG2-CD2 4.48Å; T692-L765 PolarHBondContact N-O 3.3Å; L765-I767 HydrophobicContact CD2-CD1 4.35Å; L765-I767 HydrophobicContact CD2-CG1 4.17Å; L765-I767 HydrophobicContact CG-CG1 4.19Å; L765-V783 HydrophobicContact CD2-CB 4.49Å; L765-V783 HydrophobicContact CD2-CG2 3.81Å; L765-F786 HydrophobicContact CB-CD1 3.65Å; L765-F786 HydrophobicContact CB-CD2 4.08Å; L765-F786 HydrophobicContact CB-CE1 3.56Å; L765-F786 HydrophobicContact CB-CE2 4.04Å; L765-F786 HydrophobicContact CB-CG 3.89Å; L765-F786 HydrophobicContact CB-CZ 3.77Å; L765-F786 HydrophobicContact CD1-CG 4.47Å; L765-F786 HydrophobicContact CD2-CB 3.94Å; L765-F786 HydrophobicContact CD2-CD1 3.73Å; L765-F786 HydrophobicContact CD2-CE1 4.42Å; L765-F786 HydrophobicContact CD2-CG 3.92Å; L765-F786 HydrophobicContact CG-CD1 4.26Å; L765-F786 HydrophobicContact CG-CG 4.31Å
766I97.6Very high96.4Very high19 Ų1946.7 Ų46.710%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-110.9111.8177.4-56.2173.8000108.5T692 L694 I752 L764 L854 L857T692-I766 HydrophobicContact CG2-CB 4.24Å; T692-I766 HydrophobicContact CG2-CG1 3.83Å; T692-I766 HydrophobicContact CG2-CG2 4.26Å; L694-I766 HydrophobicContact CD1-CG2 3.57Å; L694-I766 HydrophobicContact CG-CG2 3.87Å; I752-I766 HydrophobicContact CD1-CD1 4.08Å; I752-I766 HydrophobicContact CG2-CD1 4.47Å; L764-I766 HydrophobicContact CD2-CD1 4.25Å; L764-I766 HydrophobicContact CD2-CG1 4.23Å; L764-I766 HydrophobicContact CG-CG1 4.2Å; I766-L854 HydrophobicContact CD1-CD2 3.53Å; I766-L854 HydrophobicContact CG2-CD2 4.46Å; I766-L857 HydrophobicContact CD1-CD1 4.18Å
767I96.9Very high96.4Very high2 Ų245.5 Ų45.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-92.4133.7-178.1-64.9172.4000110.3L611 I691 T692 I693 L694 L765 G769 L772 V779 V783L611-I767 HydrophobicContact CD1-CD1 4.36Å; L611-I767 HydrophobicContact CD2-CD1 3.81Å; I691-I767 HydrophobicContact CG2-CD1 3.49Å; I691-I767 VanDerWaalsContact CG2-CD1 3.49Å; I691-I767 HydrophobicContact CG2-CG1 4.23Å; T692-I767 PolarHBondContact O-N 3.36Å; I693-I767 WeakPolarHBondContact CA-O 3.3Å; I693-I767 HydrophobicContact CB-CB 4.37Å; I693-I767 HydrophobicContact CG1-CB 4.06Å; I693-I767 HydrophobicContact CG1-CD1 4.16Å; I693-I767 HydrophobicContact CG1-CG2 4.34Å; I693-I767 HydrophobicContact CG2-CB 4.3Å; I693-I767 HydrophobicContact CG2-CG2 4.08Å; L694-I767 PolarHBondContact N-O 3.18Å; L765-I767 HydrophobicContact CD2-CD1 4.35Å; L765-I767 HydrophobicContact CD2-CG1 4.17Å; L765-I767 HydrophobicContact CG-CG1 4.19Å; I767-G769 PolarHBondContact O-N 2.88Å; I767-L772 HydrophobicContact CG2-CB 4.22Å; I767-V779 HydrophobicContact CD1-CG1 4.09Å; I767-V779 HydrophobicContact CG1-CG1 4.24Å; I767-V779 HydrophobicContact CG2-CG1 3.53Å; I767-V783 HydrophobicContact CD1-CG2 3.73Å
768D95.6Very high96.3Very high21 Ų2143 Ų4311%0.11224%0.238CC..EExtended strand (participates in β ladder)trans-72.8108.6164.2-173.1-13.1000109.4Q770 Q771 L772 P862 S863D768-Q770 PolarHBondContact O-N 3.21Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.4Å; D768-Q770 PolarHBondContact OD1-N 3.39Å; D768-Q771 HydrophobicContact CB-CB 4.04Å; D768-Q771 WeakPolarHBondContact O-CB 3.39Å; D768-Q771 PolarHBondContact O-N 3.19Å; D768-Q771 VanDerWaalsContact O-N 3.12Å; D768-L772 PolarHBondContact O-N 3.03Å; D768-P862 HydrophobicContact CB-CB 4.25Å; D768-P862 WeakPolarHBondContact OD2-CA 3.42Å; D768-S863 PolarHBondContact OD2-N 2.78Å; D768-S863 PolarHBondContact OD2-OG 3.28Å
769G95.3Very high96.3Very high5 Ų539.2 Ų39.25%0.05222%0.22CC..Hα-helixtrans-68.6-19.1-179.800000113.8L694 I767 R773L694-G769 WeakPolarHBondContact O-CA 3.34Å; L694-G769 PolarHBondContact O-N 3.44Å; I767-G769 PolarHBondContact O-N 2.88Å; G769-R773 WeakPolarHBondContact O-CB 3.28Å; G769-R773 PolarHBondContact O-N 3.46Å
770Q92.6Very high96.3Very high66 Ų6639 Ų3931%0.30822%0.22SC..Hα-helixtrans-69.9-43.3168.8-68.5-165.1-14.800110.5D768 R773 S774 S863 W864D768-Q770 PolarHBondContact O-N 3.21Å; D768-Q770 WeakPolarHBondContact OD1-CB 3.4Å; D768-Q770 PolarHBondContact OD1-N 3.39Å; Q770-R773 WeakPolarHBondContact O-CB 3.48Å; Q770-R773 PolarHBondContact O-N 3.09Å; Q770-R773 VanDerWaalsContact O-N 3.12Å; Q770-S774 PolarHBondContact O-N 3.44Å; Q770-S774 PolarHBondContact O-OG 2.83Å; Q770-S863 PolarHBondContact OE1-OG 3.04Å; Q770-W864 HydrophobicContact CG-CB 4.5Å
771Q94.6Very high96.3Very high60 Ų6038.3 Ų38.328%0.2821%0.213SC..Hα-helixtrans-64.8-42.7175.7-165.5-178.5600111.4D768 R773 S774 D775 V779D768-Q771 HydrophobicContact CB-CB 4.04Å; D768-Q771 WeakPolarHBondContact O-CB 3.39Å; D768-Q771 PolarHBondContact O-N 3.19Å; D768-Q771 VanDerWaalsContact O-N 3.12Å; Q771-R773 PolarHBondContact O-N 3.29Å; Q771-R773 VanDerWaalsContact O-N 3.14Å; Q771-S774 PolarHBondContact O-N 2.99Å; Q771-S774 VanDerWaalsContact O-N 3.15Å; Q771-S774 PolarHBondContact O-OG 3.13Å; Q771-D775 CarbonylContact O-C 3.47Å; Q771-D775 WeakPolarHBondContact O-CA 3.28Å; Q771-D775 PolarHBondContact O-N 2.66Å; Q771-V779 HydrophobicContact CB-CG2 4Å; Q771-V779 HydrophobicContact CG-CG2 3.77Å
772L95.7Very high96.3Very high8 Ų839.8 Ų39.84%0.04221%0.211CC..Hα-helixtrans-57.1-31.9173.7178.363.2000112.1L611 F614 I693 I767 D768 P776 V779L611-L772 HydrophobicContact CB-CD2 4.2Å; F614-L772 HydrophobicContact CD2-CD1 4.15Å; F614-L772 HydrophobicContact CE2-CD1 4.15Å; I693-L772 HydrophobicContact CD1-CD2 4.04Å; I693-L772 HydrophobicContact CG2-CD2 4.28Å; I767-L772 HydrophobicContact CG2-CB 4.22Å; D768-L772 PolarHBondContact O-N 3.03Å; L772-P776 HydrophobicContact CD1-CB 4.24Å; L772-P776 WeakPolarHBondContact O-CB 3.41Å; L772-V779 HydrophobicContact CB-CG1 4.43Å; L772-V779 HydrophobicContact CB-CG2 4.33Å; L772-V779 HydrophobicContact CD1-CB 4.32Å; L772-V779 HydrophobicContact CD1-CG1 4.01Å
773R93.6Very high96.4Very high157 Ų15735.1 Ų35.159%0.59218%0.178SC*.Hα-helixtrans-79.3-38.8177.9-179.2-179.6177.5-178.2-1.9112.7G769 Q770 Q771 F807 W808G769-R773 WeakPolarHBondContact O-CB 3.28Å; G769-R773 PolarHBondContact O-N 3.46Å; Q770-R773 WeakPolarHBondContact O-CB 3.48Å; Q770-R773 PolarHBondContact O-N 3.09Å; Q770-R773 VanDerWaalsContact O-N 3.12Å; Q771-R773 PolarHBondContact O-N 3.29Å; Q771-R773 VanDerWaalsContact O-N 3.14Å; R773-F807 HydrophobicContact CG-CD1 4.2Å; R773-F807 HydrophobicContact CG-CE1 4.13Å; R773-W808 VanDerWaalsContact O-CD1 3.25Å
774S94.6Very high96.3Very high81 Ų8133.3 Ų33.357%0.56617%0.17SC*.Hα-helixtrans-89.7-37-174.659.40000113.6Q770 Q771 W808Q770-S774 PolarHBondContact O-N 3.44Å; Q770-S774 PolarHBondContact O-OG 2.83Å; Q771-S774 PolarHBondContact O-N 2.99Å; Q771-S774 VanDerWaalsContact O-N 3.15Å; Q771-S774 PolarHBondContact O-OG 3.13Å; S774-W808 PolarHBondContact O-NE1 3.41Å
775D95.7Very high96.3Very high57 Ų5739.5 Ų39.531%0.30520%0.196SC..  trans-144.974-176.3-179.113.5000110.3Q771 A777 T778Q771-D775 CarbonylContact O-C 3.47Å; Q771-D775 WeakPolarHBondContact O-CA 3.28Å; Q771-D775 PolarHBondContact O-N 2.66Å; D775-A777 PolarHBondContact O-N 3.38Å; D775-T778 PolarHBondContact OD1-N 3.46Å; D775-T778 VanDerWaalsContact OD2-CB 3.28Å; D775-T778 WeakPolarHBondContact OD2-CB 3.26Å; D775-T778 PolarHBondContact OD2-OG1 3.05Å
776P96.8Very high96.2Very high0 Ų040.5 Ų40.50%020%0.2CC..Hα-helixtrans-65.3-25.1-179.426.1-34.8000113.3F614 L772 V779 M780 L799 W808F614-P776 HydrophobicContact CD2-CB 4.13Å; F614-P776 HydrophobicContact CE2-CB 3.62Å; F614-P776 HydrophobicContact CE2-CG 4.38Å; F614-P776 HydrophobicContact CZ-CB 4.3Å; L772-P776 HydrophobicContact CD1-CB 4.24Å; L772-P776 WeakPolarHBondContact O-CB 3.41Å; P776-V779 PolarHBondContact O-N 3.18Å; P776-M780 WeakPolarHBondContact O-CB 3.34Å; P776-M780 VanDerWaalsContact O-CG 3.25Å; P776-M780 WeakPolarHBondContact O-CG 3.42Å; P776-M780 PolarHBondContact O-N 3.17Å; P776-L799 HydrophobicContact CB-CD1 3.85Å; P776-L799 HydrophobicContact CG-CD1 3.76Å; P776-W808 VanDerWaalsContact CD-CD1 3.48Å; P776-W808 HydrophobicContact CG-CB 3.68Å; P776-W808 HydrophobicContact CG-CD2 3.7Å; P776-W808 HydrophobicContact CG-CE3 4.14Å; P776-W808 HydrophobicContact CG-CG 3.48Å; P776-W808 VanDerWaalsContact CG-CG 3.48Å
777A97.1Very high96.2Very high8 Ų840.2 Ų40.27%0.06620%0.198CC..Hα-helixtrans-64.8-44.7-176.900000111.5D775 M780 D781D775-A777 PolarHBondContact O-N 3.38Å; A777-M780 PolarHBondContact O-N 2.88Å; A777-D781 PolarHBondContact O-N 2.64Å
778T96.6Very high96.1Very high53 Ų5343 Ų4333%0.32523%0.227SC..Hα-helixtrans-61.7-44.2174.8-61.80000112D775 M780 D781 E782D775-T778 PolarHBondContact OD1-N 3.46Å; D775-T778 VanDerWaalsContact OD2-CB 3.28Å; D775-T778 WeakPolarHBondContact OD2-CB 3.26Å; D775-T778 PolarHBondContact OD2-OG1 3.05Å; T778-M780 VanDerWaalsContact C-N 3.32Å; T778-M780 PolarHBondContact O-N 3.34Å; T778-D781 WeakPolarHBondContact O-CB 3.35Å; T778-D781 PolarHBondContact O-N 2.64Å; T778-E782 PolarHBondContact O-N 2.98Å; T778-E782 VanDerWaalsContact O-N 3.1Å
779V97Very high95.9Very high1 Ų142.7 Ų42.71%0.00623%0.226CC..Hα-helixtrans-62.8-40.5177.1174.90000111.3I767 Q771 L772 P776 D781 E782 V783I767-V779 HydrophobicContact CD1-CG1 4.09Å; I767-V779 HydrophobicContact CG1-CG1 4.24Å; I767-V779 HydrophobicContact CG2-CG1 3.53Å; Q771-V779 HydrophobicContact CB-CG2 4Å; Q771-V779 HydrophobicContact CG-CG2 3.77Å; L772-V779 HydrophobicContact CB-CG1 4.43Å; L772-V779 HydrophobicContact CB-CG2 4.33Å; L772-V779 HydrophobicContact CD1-CB 4.32Å; L772-V779 HydrophobicContact CD1-CG1 4.01Å; P776-V779 PolarHBondContact O-N 3.18Å; V779-D781 VanDerWaalsContact C-N 3.34Å; V779-E782 WeakPolarHBondContact O-CB 2.97Å; V779-E782 PolarHBondContact O-N 2.98Å; V779-V783 HydrophobicContact CG1-CG2 4.39Å; V779-V783 VanDerWaalsContact O-CG2 3.28Å; V779-V783 WeakPolarHBondContact O-CG2 3.3Å; V779-V783 PolarHBondContact O-N 3.48Å
780M98.1Very high95.6Very high0 Ų046.2 Ų46.20%025%0.251CS..Hα-helixtrans-69.5-31178.4-68.9-52.7-62.600112.7L611 F614 L615 P776 A777 T778 V783 Q784 Y795L611-M780 HydrophobicContact CD1-CE 4.37Å; L611-M780 HydrophobicContact CD1-SD 3.51Å; L611-M780 VanDerWaalsContact CD1-SD 3.51Å; F614-M780 HydrophobicContact CB-CE 3.88Å; F614-M780 HydrophobicContact CB-CG 4.07Å; F614-M780 HydrophobicContact CB-SD 3.7Å; F614-M780 HydrophobicContact CD2-CG 4.4Å; F614-M780 HydrophobicContact CD2-SD 4.35Å; L615-M780 HydrophobicContact CD2-CE 3.91Å; L615-M780 HydrophobicContact CG-CE 4.06Å; P776-M780 WeakPolarHBondContact O-CB 3.34Å; P776-M780 VanDerWaalsContact O-CG 3.25Å; P776-M780 WeakPolarHBondContact O-CG 3.42Å; P776-M780 PolarHBondContact O-N 3.17Å; A777-M780 PolarHBondContact O-N 2.88Å; T778-M780 VanDerWaalsContact C-N 3.32Å; T778-M780 PolarHBondContact O-N 3.34Å; M780-V783 PolarHBondContact O-N 3.18Å; M780-Q784 WeakPolarHBondContact O-CB 3.2Å; M780-Q784 VanDerWaalsContact O-CG 3.23Å; M780-Q784 WeakPolarHBondContact O-CG 3.15Å; M780-Q784 PolarHBondContact O-N 2.95Å; M780-Q784 PolarHBondContact O-NE2 3.18Å; M780-Y795 HydrophobicContact CB-CD1 4.03Å; M780-Y795 HydrophobicContact CB-CD2 3.38Å; M780-Y795 HydrophobicContact CB-CE1 4.26Å; M780-Y795 HydrophobicContact CB-CE2 3.66Å; M780-Y795 HydrophobicContact CB-CG 3.58Å; M780-Y795 HydrophobicContact CE-CE1 3.86Å; M780-Y795 HydrophobicContact CE-CE2 3.99Å; M780-Y795 VanDerWaalsContact CE-CZ 3.46Å; M780-Y795 VanDerWaalsContact CE-OH 3.29Å; M780-Y795 WeakPolarHBondContact CE-OH 3.1Å; M780-Y795 HydrophobicContact CG-CD1 3.96Å; M780-Y795 HydrophobicContact CG-CD2 4.22Å; M780-Y795 HydrophobicContact CG-CE1 4.07Å; M780-Y795 HydrophobicContact CG-CE2 4.33Å; M780-Y795 HydrophobicContact CG-CG 4.02Å
781D97.2Very high95.5Very high47 Ų4747 Ų4725%0.25126%0.261SS..Hα-helixtrans-62.8-44.4169.8-177.879000111.7A777 T778 V779 V783 Q784 K785 H792A777-D781 PolarHBondContact O-N 2.64Å; T778-D781 WeakPolarHBondContact O-CB 3.35Å; T778-D781 PolarHBondContact O-N 2.64Å; V779-D781 VanDerWaalsContact C-N 3.34Å; D781-V783 PolarHBondContact O-N 3.37Å; D781-Q784 PolarHBondContact O-N 2.91Å; D781-K785 WeakPolarHBondContact O-CG 3.48Å; D781-K785 PolarHBondContact O-N 3.24Å; D781-K785 IonicContact OD1-NZ 3.74Å; D781-K785 WeakPolarHBondContact OD2-CE 3.44Å; D781-K785 IonicContact OD2-NZ 3.14Å; D781-K785 PolarHBondContact OD2-NZ 3.14Å; D781-H792 IonicContact OD1-CE1 2.64Å; D781-H792 PolarHBondContact OD1-CE1 3.39Å; D781-H792 IonicContact OD1-NE2 2.69Å; D781-H792 PolarHBondContact OD1-NE2 3.12Å
782E96.5Very high95.4Very high80 Ų8049 Ų4937%0.37427%0.27SS..Hα-helixtrans-61.8-43.7173.4-69177.9-177.900112.3T778 V779 Q784 K785 F786T778-E782 PolarHBondContact O-N 2.98Å; T778-E782 VanDerWaalsContact O-N 3.1Å; V779-E782 WeakPolarHBondContact O-CB 2.97Å; V779-E782 PolarHBondContact O-N 2.98Å; E782-Q784 VanDerWaalsContact C-N 3.35Å; E782-Q784 PolarHBondContact O-N 3.42Å; E782-K785 PolarHBondContact O-N 3.28Å; E782-F786 VanDerWaalsContact O-CB 3.32Å; E782-F786 WeakPolarHBondContact O-CB 3.2Å; E782-F786 PolarHBondContact O-N 3.17Å
783V98.1Very high95.4Very high1 Ų151.7 Ų51.71%0.00628%0.28CS..Hα-helixtrans-61.4-43.5176.7170.50000110.8L611 L615 I691 L765 I767 V779 M780 D781 F786 L787L611-V783 HydrophobicContact CD1-CG2 4.33Å; L615-V783 HydrophobicContact CD2-CG1 3.83Å; I691-V783 HydrophobicContact CD1-CG1 4.19Å; L765-V783 HydrophobicContact CD2-CB 4.49Å; L765-V783 HydrophobicContact CD2-CG2 3.81Å; I767-V783 HydrophobicContact CD1-CG2 3.73Å; V779-V783 HydrophobicContact CG1-CG2 4.39Å; V779-V783 VanDerWaalsContact O-CG2 3.28Å; V779-V783 WeakPolarHBondContact O-CG2 3.3Å; V779-V783 PolarHBondContact O-N 3.48Å; M780-V783 PolarHBondContact O-N 3.18Å; D781-V783 PolarHBondContact O-N 3.37Å; V783-F786 PolarHBondContact O-N 3.11Å; V783-L787 HydrophobicContact CG1-CD1 3.88Å; V783-L787 HydrophobicContact CG1-CG 4.3Å; V783-L787 WeakPolarHBondContact O-CB 3.5Å; V783-L787 VanDerWaalsContact O-CG 3.26Å; V783-L787 WeakPolarHBondContact O-CG 3.25Å; V783-L787 PolarHBondContact O-N 2.98Å
784Q97.1Very high95.5Very high3 Ų347.6 Ų47.61%0.01427%0.27CS..Hα-helixtrans-62.1-46.1177.4-74.7178.1106.700112H618 M780 D781 E782 L787 G788 V789 H792 Y793 Y795H618-Q784 PolarHBondContact CD2-OE1 2.85Å; H618-Q784 VanDerWaalsContact CD2-OE1 3.29Å; M780-Q784 WeakPolarHBondContact O-CB 3.2Å; M780-Q784 VanDerWaalsContact O-CG 3.23Å; M780-Q784 WeakPolarHBondContact O-CG 3.15Å; M780-Q784 PolarHBondContact O-N 2.95Å; M780-Q784 PolarHBondContact O-NE2 3.18Å; D781-Q784 PolarHBondContact O-N 2.91Å; E782-Q784 VanDerWaalsContact C-N 3.35Å; E782-Q784 PolarHBondContact O-N 3.42Å; Q784-L787 PolarHBondContact O-N 2.95Å; Q784-G788 PolarHBondContact O-N 3.16Å; Q784-V789 HydrophobicContact CB-CG1 3.83Å; Q784-V789 HydrophobicContact CG-CG1 3.77Å; Q784-V789 PolarHBondContact O-N 3.1Å; Q784-H792 PolarHBondContact NE2-CE1 3.33Å; Q784-H792 PolarHBondContact NE2-NE2 3.1Å; Q784-Y793 PolarHBondContact NE2-O 3.14Å; Q784-Y793 PolarHBondContact OE1-O 3.03Å; Q784-Y795 HydrophobicContact CG-CE2 4.21Å
785K96.8Very high95.5Very high143 Ų14344 Ų4462%0.62224%0.244SC*.Hα-helixtrans-60.1-46.7175.4-74.3168.6178.3165.20111.7D781 E782 L787 G788D781-K785 WeakPolarHBondContact O-CG 3.48Å; D781-K785 PolarHBondContact O-N 3.24Å; D781-K785 IonicContact OD1-NZ 3.74Å; D781-K785 WeakPolarHBondContact OD2-CE 3.44Å; D781-K785 IonicContact OD2-NZ 3.14Å; D781-K785 PolarHBondContact OD2-NZ 3.14Å; E782-K785 PolarHBondContact O-N 3.28Å; K785-L787 VanDerWaalsContact C-N 3.33Å; K785-L787 PolarHBondContact O-N 3.25Å; K785-G788 PolarHBondContact O-N 3.28Å
786F97.4Very high95.5Very high38 Ų3845.3 Ų45.317%0.16726%0.258CS..Hα-helixtrans-61.4-42177.5172.8-110.6000111.6K689 I691 L765 E782 V783 G788K689-F786 HydrophobicContact CB-CE1 3.59Å; K689-F786 HydrophobicContact CB-CZ 3.74Å; K689-F786 HydrophobicContact CD-CD1 4.25Å; K689-F786 HydrophobicContact CD-CE1 3.95Å; K689-F786 HydrophobicContact CD-CE2 4.46Å; K689-F786 HydrophobicContact CD-CZ 4.05Å; K689-F786 WeakPolarHBondContact CD-O 3.44Å; K689-F786 VanDerWaalsContact CE-O 3.27Å; K689-F786 WeakPolarHBondContact CE-O 3.49Å; K689-F786 HydrophobicContact CG-CE1 4.09Å; K689-F786 HydrophobicContact CG-CZ 3.95Å; K689-F786 PolarHBondContact NZ-O 3.38Å; I691-F786 HydrophobicContact CD1-CD1 4.39Å; I691-F786 HydrophobicContact CD1-CE1 4.4Å; I691-F786 HydrophobicContact CG1-CD1 4.26Å; I691-F786 HydrophobicContact CG1-CE1 3.87Å; L765-F786 HydrophobicContact CB-CD1 3.65Å; L765-F786 HydrophobicContact CB-CD2 4.08Å; L765-F786 HydrophobicContact CB-CE1 3.56Å; L765-F786 HydrophobicContact CB-CE2 4.04Å; L765-F786 HydrophobicContact CB-CG 3.89Å; L765-F786 HydrophobicContact CB-CZ 3.77Å; L765-F786 HydrophobicContact CD1-CG 4.47Å; L765-F786 HydrophobicContact CD2-CB 3.94Å; L765-F786 HydrophobicContact CD2-CD1 3.73Å; L765-F786 HydrophobicContact CD2-CE1 4.42Å; L765-F786 HydrophobicContact CD2-CG 3.92Å; L765-F786 HydrophobicContact CG-CD1 4.26Å; L765-F786 HydrophobicContact CG-CG 4.31Å; E782-F786 VanDerWaalsContact O-CB 3.32Å; E782-F786 WeakPolarHBondContact O-CB 3.2Å; E782-F786 PolarHBondContact O-N 3.17Å; V783-F786 PolarHBondContact O-N 3.11Å; F786-G788 VanDerWaalsContact C-N 3.33Å
787L96.8Very high95.3Very high13 Ų1352.1 Ų52.17%0.06829%0.29CS..Hα-helixtrans-72.3-26177.2-68.6178.9000112.7F598 L615 I621 L663 K689 I691 V783 Q784 K785 V789F598-L787 HydrophobicContact CB-CD2 3.9Å; F598-L787 HydrophobicContact CD1-CD1 4.19Å; F598-L787 HydrophobicContact CD1-CD2 3.6Å; F598-L787 HydrophobicContact CD2-CD2 4.02Å; F598-L787 HydrophobicContact CE1-CD1 3.7Å; F598-L787 HydrophobicContact CE1-CD2 4Å; F598-L787 HydrophobicContact CE2-CD1 4.13Å; F598-L787 HydrophobicContact CE2-CD2 4.41Å; F598-L787 HydrophobicContact CG-CD2 3.59Å; F598-L787 HydrophobicContact CZ-CD1 3.66Å; F598-L787 HydrophobicContact CZ-CD2 4.39Å; L615-L787 HydrophobicContact CD2-CD1 4.29Å; I621-L787 HydrophobicContact CD1-CD1 3.98Å; L663-L787 HydrophobicContact CD1-CB 4.3Å; K689-L787 HydrophobicContact CB-CD2 4.33Å; K689-L787 HydrophobicContact CD-CD2 4Å; K689-L787 PolarHBondContact NZ-O 3.37Å; I691-L787 HydrophobicContact CD1-CD2 4.31Å; V783-L787 HydrophobicContact CG1-CD1 3.88Å; V783-L787 HydrophobicContact CG1-CG 4.3Å; V783-L787 WeakPolarHBondContact O-CB 3.5Å; V783-L787 VanDerWaalsContact O-CG 3.26Å; V783-L787 WeakPolarHBondContact O-CG 3.25Å; V783-L787 PolarHBondContact O-N 2.98Å; Q784-L787 PolarHBondContact O-N 2.95Å; K785-L787 VanDerWaalsContact C-N 3.33Å; K785-L787 PolarHBondContact O-N 3.25Å; L787-V789 VanDerWaalsContact C-N 3.29Å; L787-V789 HydrophobicContact CB-CB 4.45Å
788G94.8Very high95.2Very high60 Ų6052.3 Ų52.362%0.61929%0.292SS*.THydrogen-bonded Turntrans69.530.6-174.100000111.9Q784 K785 F786Q784-G788 PolarHBondContact O-N 3.16Å; K785-G788 PolarHBondContact O-N 3.28Å; F786-G788 VanDerWaalsContact C-N 3.33Å
789V92.7Very high95.1Very high15 Ų1550.1 Ų50.19%0.09128%0.278CS..  trans-77.9142.9-177.269.90000110.9H618 I621 L663 Q784 L787H618-V789 WeakPolarHBondContact CE1-CG2 3.37Å; I621-V789 HydrophobicContact CG1-CG2 4.18Å; L663-V789 HydrophobicContact CD1-CB 3.77Å; L663-V789 HydrophobicContact CD1-CG2 3.78Å; Q784-V789 HydrophobicContact CB-CG1 3.83Å; Q784-V789 HydrophobicContact CG-CG1 3.77Å; Q784-V789 PolarHBondContact O-N 3.1Å; L787-V789 VanDerWaalsContact C-N 3.29Å; L787-V789 HydrophobicContact CB-CB 4.45Å
790S88.3Confident95.1Very high80 Ų8052.3 Ų52.356%0.55929%0.291SS*.SBendtrans-141141.4178.5174.60000110.1
791P90.5Very high94.9Very high81 Ų8157 Ų5753%0.52631%0.312SS..SBendcis-72.1161.2-1.732.2-36.4000112.5H618H618-P791 PolarHBondContact CE1-O 3.09Å; H618-P791 PolarHBondContact NE2-O 2.9Å
792H91.9Very high94.7Very high103 Ų10355.8 Ų55.848%0.47731%0.305SS..PPolyproline II helixtrans-71.8134.5176.6-160.6-91.5000111.3D781 Q784D781-H792 IonicContact OD1-CE1 2.64Å; D781-H792 PolarHBondContact OD1-CE1 3.39Å; D781-H792 IonicContact OD1-NE2 2.69Å; D781-H792 PolarHBondContact OD1-NE2 3.12Å; Q784-H792 PolarHBondContact NE2-CE1 3.33Å; Q784-H792 PolarHBondContact NE2-NE2 3.1Å
793Y94.9Very high94.3Very high65 Ų6557.2 Ų57.226%0.25532%0.321SS..PPolyproline II helixtrans-99.5130.9177.6-171.6-97.4000111.1M617 H618 Q784 Y795 A798M617-Y793 HydrophobicContact CB-CE1 4.02Å; M617-Y793 HydrophobicContact CE-CE1 4.09Å; H618-Y793 VanDerWaalsContact CD2-CB 3.44Å; H618-Y793 WeakPolarHBondContact CD2-CB 3.26Å; Q784-Y793 PolarHBondContact NE2-O 3.14Å; Q784-Y793 PolarHBondContact OE1-O 3.03Å; Y793-Y795 AromaticContact CD1-CD1 3.92Å; Y793-Y795 HydrophobicContact CD1-CD1 3.92Å; Y793-Y795 AromaticContact CD1-CD2 3.78Å; Y793-Y795 HydrophobicContact CD1-CD2 3.78Å; Y793-Y795 AromaticContact CD1-CE1 3.76Å; Y793-Y795 HydrophobicContact CD1-CE1 3.76Å; Y793-Y795 AromaticContact CD1-CE2 3.61Å; Y793-Y795 HydrophobicContact CD1-CE2 3.61Å; Y793-Y795 AromaticContact CD1-CG 3.94Å; Y793-Y795 HydrophobicContact CD1-CG 3.94Å; Y793-Y795 AromaticContact CD1-CZ 3.61Å; Y793-Y795 HydrophobicContact CE1-CD1 4Å; Y793-Y795 AromaticContact CE1-CE1 3.95Å; Y793-Y795 HydrophobicContact CE1-CE1 3.95Å; Y793-Y795 HydrophobicContact CE1-CG 4.36Å; Y793-Y795 HydrophobicContact CG-CE2 4.32Å; Y793-Y795 WeakPolarHBondContact O-CD2 3.35Å; Y793-Y795 PolarHBondContact O-N 3.19Å; Y793-A798 HydrophobicContact CE1-CB 3.56Å; Y793-A798 WeakPolarHBondContact OH-CB 3.19Å
794N95.8Very high93.9Very high71 Ų7165.7 Ų65.738%0.3836%0.361SS..  trans-86.791.8-178.2-170.1-5.4000111.5S796 E797 A798N794-S796 VanDerWaalsContact C-N 3.26Å; N794-S796 PolarHBondContact O-N 3.18Å; N794-S796 WeakPolarHBondContact OD1-CB 3.24Å; N794-S796 PolarHBondContact OD1-N 3.13Å; N794-E797 WeakPolarHBondContact ND2-CG 3.44Å; N794-E797 PolarHBondContact ND2-OE1 3.08Å; N794-E797 PolarHBondContact O-N 3.07Å; N794-A798 PolarHBondContact O-N 2.65Å
795Y96.4Very high93.5Very high4 Ų467.8 Ų67.82%0.01637%0.37CS..Hα-helixtrans-68.6-22178.7-73.3-85.3000114F614 M617 M780 Q784 Y793 E797 A798 L799F614-Y795 HydrophobicContact CB-CE1 4.2Å; F614-Y795 VanDerWaalsContact O-CE1 3.28Å; F614-Y795 WeakPolarHBondContact O-CE1 3.4Å; F614-Y795 PolarHBondContact O-OH 3.04Å; F614-Y795 VanDerWaalsContact O-OH 3.12Å; M617-Y795 HydrophobicContact CB-CE1 4.22Å; M617-Y795 HydrophobicContact CE-CD1 4.5Å; M780-Y795 HydrophobicContact CB-CD1 4.03Å; M780-Y795 HydrophobicContact CB-CD2 3.38Å; M780-Y795 HydrophobicContact CB-CE1 4.26Å; M780-Y795 HydrophobicContact CB-CE2 3.66Å; M780-Y795 HydrophobicContact CB-CG 3.58Å; M780-Y795 HydrophobicContact CE-CE1 3.86Å; M780-Y795 HydrophobicContact CE-CE2 3.99Å; M780-Y795 VanDerWaalsContact CE-CZ 3.46Å; M780-Y795 VanDerWaalsContact CE-OH 3.29Å; M780-Y795 WeakPolarHBondContact CE-OH 3.1Å; M780-Y795 HydrophobicContact CG-CD1 3.96Å; M780-Y795 HydrophobicContact CG-CD2 4.22Å; M780-Y795 HydrophobicContact CG-CE1 4.07Å; M780-Y795 HydrophobicContact CG-CE2 4.33Å; M780-Y795 HydrophobicContact CG-CG 4.02Å; Q784-Y795 HydrophobicContact CG-CE2 4.21Å; Y793-Y795 AromaticContact CD1-CD1 3.92Å; Y793-Y795 HydrophobicContact CD1-CD1 3.92Å; Y793-Y795 AromaticContact CD1-CD2 3.78Å; Y793-Y795 HydrophobicContact CD1-CD2 3.78Å; Y793-Y795 AromaticContact CD1-CE1 3.76Å; Y793-Y795 HydrophobicContact CD1-CE1 3.76Å; Y793-Y795 AromaticContact CD1-CE2 3.61Å; Y793-Y795 HydrophobicContact CD1-CE2 3.61Å; Y793-Y795 AromaticContact CD1-CG 3.94Å; Y793-Y795 HydrophobicContact CD1-CG 3.94Å; Y793-Y795 AromaticContact CD1-CZ 3.61Å; Y793-Y795 HydrophobicContact CE1-CD1 4Å; Y793-Y795 AromaticContact CE1-CE1 3.95Å; Y793-Y795 HydrophobicContact CE1-CE1 3.95Å; Y793-Y795 HydrophobicContact CE1-CG 4.36Å; Y793-Y795 HydrophobicContact CG-CE2 4.32Å; Y793-Y795 WeakPolarHBondContact O-CD2 3.35Å; Y793-Y795 PolarHBondContact O-N 3.19Å; Y795-E797 PolarHBondContact O-N 2.87Å; Y795-A798 PolarHBondContact O-N 3.3Å; Y795-L799 HydrophobicContact CD1-CD1 4.05Å; Y795-L799 HydrophobicContact CD1-CG 4.31Å; Y795-L799 WeakPolarHBondContact O-CB 3.36Å; Y795-L799 PolarHBondContact O-N 3.39Å
796S94.9Very high93.2Very high86 Ų8662.4 Ų62.460%0.60136%0.355SS*.Hα-helixtrans-67.2-27.6177.8-560000112.5N794N794-S796 VanDerWaalsContact C-N 3.26Å; N794-S796 PolarHBondContact O-N 3.18Å; N794-S796 WeakPolarHBondContact OD1-CB 3.24Å; N794-S796 PolarHBondContact OD1-N 3.13Å
797E93.3Very high93Very high143 Ų14363.2 Ų63.267%0.66836%0.359SS*.Hα-helixtrans-90.7-22.2175.1-70.3172.5-16800112.3N794 Y795 L811N794-E797 WeakPolarHBondContact ND2-CG 3.44Å; N794-E797 PolarHBondContact ND2-OE1 3.08Å; N794-E797 PolarHBondContact O-N 3.07Å; Y795-E797 PolarHBondContact O-N 2.87Å; E797-L811 WeakPolarHBondContact O-CD2 3.02Å
798A93.8Very high92.9Very high12 Ų1265.8 Ų65.810%0.09937%0.367CS..Hα-helixtrans-97.8-15.5-174.200000114.1M617 Y793 N794 Y795 L811M617-A798 HydrophobicContact CE-CB 3.41Å; M617-A798 VanDerWaalsContact CE-CB 3.41Å; M617-A798 WeakPolarHBondContact CE-O 3.29Å; Y793-A798 HydrophobicContact CE1-CB 3.56Å; Y793-A798 WeakPolarHBondContact OH-CB 3.19Å; N794-A798 PolarHBondContact O-N 2.65Å; Y795-A798 PolarHBondContact O-N 3.3Å; A798-L811 WeakPolarHBondContact O-CB 3.45Å; A798-L811 PolarHBondContact O-N 3.05Å
799L95.9Very high92.9Very high6 Ų663 Ų633%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-112.8142.6178-62.9177.9000110.6F614 M617 P776 Y795 W808 C809F614-L799 HydrophobicContact CD1-CD1 4.29Å; F614-L799 HydrophobicContact CD1-CD2 3.63Å; F614-L799 HydrophobicContact CD2-CD1 4.44Å; F614-L799 HydrophobicContact CE1-CD1 4.33Å; F614-L799 HydrophobicContact CE1-CD2 3.56Å; F614-L799 HydrophobicContact CE2-CD1 4.48Å; F614-L799 HydrophobicContact CG-CD1 4.35Å; F614-L799 HydrophobicContact CG-CD2 4.44Å; F614-L799 HydrophobicContact CZ-CD1 4.43Å; F614-L799 HydrophobicContact CZ-CD2 4.31Å; M617-L799 HydrophobicContact CE-CD2 3.85Å; M617-L799 HydrophobicContact CE-CG 4.37Å; M617-L799 HydrophobicContact SD-CD2 3.77Å; P776-L799 HydrophobicContact CB-CD1 3.85Å; P776-L799 HydrophobicContact CG-CD1 3.76Å; Y795-L799 HydrophobicContact CD1-CD1 4.05Å; Y795-L799 HydrophobicContact CD1-CG 4.31Å; Y795-L799 WeakPolarHBondContact O-CB 3.36Å; Y795-L799 PolarHBondContact O-N 3.39Å; L799-W808 HydrophobicContact CB-CE3 3.91Å; L799-W808 HydrophobicContact CB-CZ3 4.34Å; L799-C809 WeakPolarHBondContact CA-O 3.49Å
800T95.1Very high92.9Very high47 Ų4764.9 Ų64.929%0.28835%0.346SS..EExtended strand (participates in β ladder)trans-139.5149.9173.7-171.60000110.8W808 C809 L811 T817T800-W808 WeakPolarHBondContact O-CA 3.46Å; T800-C809 PolarHBondContact N-O 3.24Å; T800-C809 PolarHBondContact O-N 3.1Å; T800-L811 HydrophobicContact CG2-CB 4.14Å; T800-L811 HydrophobicContact CG2-CD1 3.89Å; T800-T817 HydrophobicContact CG2-CG2 3.55Å
801F94.6Very high93.2Very high98 Ų9864.4 Ų64.443%0.4334%0.337SS..EExtended strand (participates in β ladder)trans-80.7124176.2-175.8-98.1000110.2P803 W808F801-P803 HydrophobicContact CD1-CG 4.38Å; F801-P803 WeakPolarHBondContact O-CD 3.29Å; F801-W808 HydrophobicContact CB-CD2 4.17Å; F801-W808 HydrophobicContact CB-CE3 4.45Å; F801-W808 HydrophobicContact CB-CZ2 4.42Å; F801-W808 AromaticContact CD2-CD1 3.92Å; F801-W808 HydrophobicContact CD2-CG 4.3Å; F801-W808 AromaticContact CD2-NE1 3.96Å
802D92.3Very high93.2Very high23 Ų2363.9 Ų63.912%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-98.1111.6176.1-174.7-52.8000109.8Q804 K805 G806 F807 C809 T817D802-Q804 VanDerWaalsContact C-N 3.3Å; D802-Q804 PolarHBondContact O-N 3.34Å; D802-Q804 WeakPolarHBondContact OD1-CA 3.47Å; D802-Q804 WeakPolarHBondContact OD1-CB 3.45Å; D802-Q804 PolarHBondContact OD1-N 2.98Å; D802-K805 HydrophobicContact CB-CB 3.96Å; D802-K805 PolarHBondContact O-N 3.03Å; D802-K805 PolarHBondContact OD1-N 3.14Å; D802-G806 WeakPolarHBondContact O-CA 3.49Å; D802-G806 PolarHBondContact O-N 3.07Å; D802-F807 PolarHBondContact N-O 2.76Å; D802-F807 VanDerWaalsContact N-O 3.08Å; D802-C809 HydrophobicContact CB-CB 4.46Å; D802-T817 HydrophobicContact CB-CG2 4.5Å; D802-T817 PolarHBondContact OD2-OG1 3.03Å
803P90Very high92.9Very high109 Ų10967.9 Ų67.971%0.70835%0.349SS*.THydrogen-bonded Turntrans-65.7-29.4-176.8-22.334.2000114F801F801-P803 HydrophobicContact CD1-CG 4.38Å; F801-P803 WeakPolarHBondContact O-CD 3.29Å
804Q88.3Confident92.2Very high179 Ų17968.8 Ų68.884%0.83638%0.377SS*.THydrogen-bonded Turntrans-73.3-39.4179.6-62.6-171.6-2.100110.8D802D802-Q804 VanDerWaalsContact C-N 3.3Å; D802-Q804 PolarHBondContact O-N 3.34Å; D802-Q804 WeakPolarHBondContact OD1-CA 3.47Å; D802-Q804 WeakPolarHBondContact OD1-CB 3.45Å; D802-Q804 PolarHBondContact OD1-N 2.98Å
805K88.8Confident91.5Very high47 Ų4768.2 Ų68.220%0.20439%0.389CS..THydrogen-bonded Turntrans-73.2-36.4173.9-174.965.9-170.5-171.10111.7D802 F807 C819 L820 G821 K824D802-K805 HydrophobicContact CB-CB 3.96Å; D802-K805 PolarHBondContact O-N 3.03Å; D802-K805 PolarHBondContact OD1-N 3.14Å; K805-F807 VanDerWaalsContact C-N 3.35Å; K805-F807 HydrophobicContact CG-CB 4.09Å; K805-F807 HydrophobicContact CG-CD2 4.18Å; K805-F807 WeakPolarHBondContact O-CD2 3.35Å; K805-C819 HydrophobicContact CD-CB 4.24Å; K805-C819 HydrophobicContact CG-CB 4.08Å; K805-L820 WeakPolarHBondContact CE-O 3.2Å; K805-L820 PolarHBondContact NZ-O 2.72Å; K805-G821 PolarHBondContact NZ-O 3.29Å; K805-G821 VanDerWaalsContact NZ-O 3.11Å; K805-K824 WeakPolarHBondContact CE-O 3.29Å; K805-K824 PolarHBondContact NZ-O 2.68Å
806G90.6Very high91.1Very high30 Ų3075.2 Ų75.231%0.30942%0.419SS..THydrogen-bonded Turntrans76.121.2-172.600000113.6D802D802-G806 WeakPolarHBondContact O-CA 3.49Å; D802-G806 PolarHBondContact O-N 3.07Å
807F93.1Very high90.9Very high56 Ų5673.7 Ų73.725%0.24641%0.406CS..EExtended strand (participates in β ladder)trans-145.9160.6-178.6-67.7-87.1000110.4R773 D802 K805 C809 G825R773-F807 HydrophobicContact CG-CD1 4.2Å; R773-F807 HydrophobicContact CG-CE1 4.13Å; D802-F807 PolarHBondContact N-O 2.76Å; D802-F807 VanDerWaalsContact N-O 3.08Å; K805-F807 VanDerWaalsContact C-N 3.35Å; K805-F807 HydrophobicContact CG-CB 4.09Å; K805-F807 HydrophobicContact CG-CD2 4.18Å; K805-F807 WeakPolarHBondContact O-CD2 3.35Å; F807-C809 PolarHBondContact O-SG 3.24Å; F807-G825 VanDerWaalsContact CE2-CA 3.49Å
808W94.9Very high90.8Very high66 Ų6673 Ų7325%0.2540%0.401CS..EExtended strand (participates in β ladder)trans-68.8140.4170.4-70.986.1000111.9R773 S774 P776 L799 T800 F801R773-W808 VanDerWaalsContact O-CD1 3.25Å; S774-W808 PolarHBondContact O-NE1 3.41Å; P776-W808 VanDerWaalsContact CD-CD1 3.48Å; P776-W808 HydrophobicContact CG-CB 3.68Å; P776-W808 HydrophobicContact CG-CD2 3.7Å; P776-W808 HydrophobicContact CG-CE3 4.14Å; P776-W808 HydrophobicContact CG-CG 3.48Å; P776-W808 VanDerWaalsContact CG-CG 3.48Å; L799-W808 HydrophobicContact CB-CE3 3.91Å; L799-W808 HydrophobicContact CB-CZ3 4.34Å; T800-W808 WeakPolarHBondContact O-CA 3.46Å; F801-W808 HydrophobicContact CB-CD2 4.17Å; F801-W808 HydrophobicContact CB-CE3 4.45Å; F801-W808 HydrophobicContact CB-CZ2 4.42Å; F801-W808 AromaticContact CD2-CD1 3.92Å; F801-W808 HydrophobicContact CD2-CG 4.3Å; F801-W808 AromaticContact CD2-NE1 3.96Å
809C94.2Very high90.7Very high2 Ų274.3 Ų74.31%0.01441%0.409CS..EExtended strand (participates in β ladder)trans-135161-176.9-56.80000110.4L799 T800 D802 F807 L811 C819L799-C809 WeakPolarHBondContact CA-O 3.49Å; T800-C809 PolarHBondContact N-O 3.24Å; T800-C809 PolarHBondContact O-N 3.1Å; D802-C809 HydrophobicContact CB-CB 4.46Å; F807-C809 PolarHBondContact O-SG 3.24Å; C809-L811 PolarHBondContact O-N 3.31Å; C809-C819 HydrophobicContact CB-CB 3.95Å; C809-C819 WeakPolarHBondContact CB-SG 3.48Å; C809-C819 WeakPolarHBondContact SG-CA 3.22Å; C809-C819 WeakPolarHBondContact SG-CB 3.18Å; C809-C819 CovalentContact SG-SG 2.03Å; C809-C819 PolarHBondContact SG-SG 3.2Å
810Q94Very high90.4Very high54 Ų5475.6 Ų75.625%0.25242%0.415SS..EExtended strand (participates in β ladder)trans-68.8131.1172.5173.6178.719.700109.7M617 L812 T817 K818M617-Q810 HydrophobicContact CE-CB 4.29Å; M617-Q810 HydrophobicContact CE-CG 3.87Å; M617-Q810 HydrophobicContact SD-CB 4.03Å; M617-Q810 HydrophobicContact SD-CG 4.04Å; Q810-L812 HydrophobicContact CG-CD2 4.17Å; Q810-T817 CarbonylContact O-C 3.58Å; Q810-T817 WeakPolarHBondContact O-CA 3.33Å; Q810-K818 HydrophobicContact CB-CB 4.22Å; Q810-K818 PolarHBondContact N-O 3.1Å; Q810-K818 VanDerWaalsContact N-O 3.14Å; Q810-K818 PolarHBondContact O-N 3.5Å
811L93.1Very high90Very high70 Ų7075.5 Ų75.537%0.36642%0.424SS..EExtended strand (participates in β ladder)trans-79.2130.2170.9-175.964.4000109.4E797 A798 T800 C809E797-L811 WeakPolarHBondContact O-CD2 3.02Å; A798-L811 WeakPolarHBondContact O-CB 3.45Å; A798-L811 PolarHBondContact O-N 3.05Å; T800-L811 HydrophobicContact CG2-CB 4.14Å; T800-L811 HydrophobicContact CG2-CD1 3.89Å; C809-L811 PolarHBondContact O-N 3.31Å
812L90.5Very high89.6Confident71 Ų7180.4 Ų80.437%0.37245%0.445SS..  trans-110.8167.6174.4-58.5-178.8000110.6Q810 G815 K816 K818Q810-L812 HydrophobicContact CG-CD2 4.17Å; L812-G815 PolarHBondContact O-N 3.28Å; L812-K816 HydrophobicContact CB-CB 4.27Å; L812-K816 WeakPolarHBondContact CB-O 3.44Å; L812-K816 PolarHBondContact N-O 3.09Å; L812-K818 HydrophobicContact CD1-CB 3.95Å; L812-K818 HydrophobicContact CD2-CB 4.27Å; L812-K818 HydrophobicContact CG-CB 4.09Å
813E85.8Confident89.1Confident187 Ų18782 Ų8287%0.87446%0.458SS*.G310 helixtrans-54141.1173.5-65.9-175.6172.900112.2G815E813-G815 VanDerWaalsContact C-N 3.31Å; E813-G815 PolarHBondContact O-N 3.01Å
814G80.7Confident89Confident83 Ų8380 Ų8086%0.85644%0.438SS*.G310 helixtrans7318.1-17800000114.8K816G814-K816 VanDerWaalsContact C-N 3.32Å; G814-K816 PolarHBondContact O-N 3.17Å
815G82.1Confident88.7Confident60 Ų6073.2 Ų73.262%0.61942%0.416SS*.G310 helixtrans78.810.2174.100000114.9L812 E813L812-G815 PolarHBondContact O-N 3.28Å; E813-G815 VanDerWaalsContact C-N 3.31Å; E813-G815 PolarHBondContact O-N 3.01Å
816K87.9Confident88.6Confident150 Ų15073.9 Ų73.965%0.65242%0.417SS*.  trans-75.8150176.2-67.5178.3-178.3173.50110.6L812 G814L812-K816 HydrophobicContact CB-CB 4.27Å; L812-K816 WeakPolarHBondContact CB-O 3.44Å; L812-K816 PolarHBondContact N-O 3.09Å; G814-K816 VanDerWaalsContact C-N 3.32Å; G814-K816 PolarHBondContact O-N 3.17Å
817T89.9Confident88.4Confident54 Ų5481.7 Ų81.733%0.33144%0.443SS..EExtended strand (participates in β ladder)trans-109.3137.6178.356.10000111.5T800 D802 Q810T800-T817 HydrophobicContact CG2-CG2 3.55Å; D802-T817 HydrophobicContact CB-CG2 4.5Å; D802-T817 PolarHBondContact OD2-OG1 3.03Å; Q810-T817 CarbonylContact O-C 3.58Å; Q810-T817 WeakPolarHBondContact O-CA 3.33Å
818K91.7Very high88.3Confident130 Ų13083.2 Ų83.257%0.56545%0.447SS*.EExtended strand (participates in β ladder)trans-107.894.6168.9-173.1-179.1178-172.60109.3Q810 L812Q810-K818 HydrophobicContact CB-CB 4.22Å; Q810-K818 PolarHBondContact N-O 3.1Å; Q810-K818 VanDerWaalsContact N-O 3.14Å; Q810-K818 PolarHBondContact O-N 3.5Å; L812-K818 HydrophobicContact CD1-CB 3.95Å; L812-K818 HydrophobicContact CD2-CB 4.27Å; L812-K818 HydrophobicContact CG-CB 4.09Å
819C91.7Very high88.2Confident38 Ų3884.3 Ų84.326%0.25746%0.463SS..PPolyproline II helixtrans-90.5159.8-179-64.60000113.1K805 C809K805-C819 HydrophobicContact CD-CB 4.24Å; K805-C819 HydrophobicContact CG-CB 4.08Å; C809-C819 HydrophobicContact CB-CB 3.95Å; C809-C819 WeakPolarHBondContact CB-SG 3.48Å; C809-C819 WeakPolarHBondContact SG-CA 3.22Å; C809-C819 WeakPolarHBondContact SG-CB 3.18Å; C809-C819 CovalentContact SG-SG 2.03Å; C809-C819 PolarHBondContact SG-SG 3.2Å
820L89.7Confident88.2Confident33 Ų3389.9 Ų89.917%0.17350%0.499CS..PPolyproline II helixtrans-58.7146.6168.7-73.9160.2000111.7T609 A610 L613 K805 K824T609-L820 HydrophobicContact CG2-CD2 3.83Å; A610-L820 HydrophobicContact CB-CD1 3.74Å; L613-L820 HydrophobicContact CD1-CD2 3.22Å; L613-L820 HydrophobicContact CD1-CG 3.85Å; L613-L820 HydrophobicContact CG-CD2 3.88Å; K805-L820 WeakPolarHBondContact CE-O 3.2Å; K805-L820 PolarHBondContact NZ-O 2.72Å; L820-K824 HydrophobicContact CB-CB 3.83Å; L820-K824 HydrophobicContact CB-CG 4.25Å; L820-K824 HydrophobicContact CD1-CB 4.25Å; L820-K824 HydrophobicContact CD2-CG 4.24Å; L820-K824 HydrophobicContact CG-CB 4.46Å
821G86.6Confident88.3Confident45 Ų4588 Ų8846%0.46449%0.49SS..PPolyproline II helixtrans-58.5169.2-179.300000114.9K805 S823 K824K805-G821 PolarHBondContact NZ-O 3.29Å; K805-G821 VanDerWaalsContact NZ-O 3.11Å; G821-S823 PolarHBondContact O-N 2.86Å; G821-S823 VanDerWaalsContact O-N 3.1Å; G821-K824 PolarHBondContact O-N 3.24Å
822K85.4Confident88.4Confident202 Ų20288 Ų8888%0.87849%0.491SS*.THydrogen-bonded Turntrans-56.9-28.1-176.3-67.8-176.3179.2179.10113.9K824K822-K824 PolarHBondContact O-N 3.13Å
823S82.3Confident88.6Confident55 Ų5591.6 Ų91.639%0.38551%0.506SS..THydrogen-bonded Turntrans-73.3-4.5177.5660000114.2G821 R826G821-S823 PolarHBondContact O-N 2.86Å; G821-S823 VanDerWaalsContact O-N 3.1Å; S823-R826 VanDerWaalsContact O-CZ 3.28Å; S823-R826 PolarHBondContact O-NH1 2.84Å
824K87.9Confident89.1Confident68 Ų6888 Ų8830%0.29649%0.489SS..SBendtrans-120.1128.9179.3-49.1-67.5175164.30108.7T609 E632 K805 L820 G821 K822T609-K824 HydrophobicContact CG2-CD 4.35Å; T609-K824 PolarHBondContact OG1-NZ 3.5Å; E632-K824 IonicContact OE1-NZ 3.45Å; K805-K824 WeakPolarHBondContact CE-O 3.29Å; K805-K824 PolarHBondContact NZ-O 2.68Å; L820-K824 HydrophobicContact CB-CB 3.83Å; L820-K824 HydrophobicContact CB-CG 4.25Å; L820-K824 HydrophobicContact CD1-CB 4.25Å; L820-K824 HydrophobicContact CD2-CG 4.24Å; L820-K824 HydrophobicContact CG-CB 4.46Å; G821-K824 PolarHBondContact O-N 3.24Å; K822-K824 PolarHBondContact O-N 3.13Å
825G82.9Confident89.9Confident36 Ų3684.1 Ų84.137%0.37145%0.448SS..SBendtrans70.442.9-169.100000112.9F807F807-G825 VanDerWaalsContact CE2-CA 3.49Å
826R85.5Confident90.6Very high62 Ų6284.7 Ų84.723%0.23443%0.432CS..  trans-59.2140.4177.5-70.9-174.5-176.578.1-3.7110S710 S823 Y828S710-R826 PolarHBondContact OG-NE 2.79Å; S710-R826 VanDerWaalsContact OG-NE 3.09Å; S710-R826 PolarHBondContact OG-NH2 2.99Å; S823-R826 VanDerWaalsContact O-CZ 3.28Å; S823-R826 PolarHBondContact O-NH1 2.84Å; R826-Y828 HydrophobicContact CB-CD1 3.79Å; R826-Y828 HydrophobicContact CB-CE1 4.02Å; R826-Y828 WeakPolarHBondContact O-CD1 3.45Å; R826-Y828 WeakPolarHBondContact O-CE1 3.49Å
827K85.8Confident90.9Very high194 Ų19480.3 Ų80.384%0.84342%0.424SS*.  trans-85.2116.9169-62.3-175.4-179.2-177.30107.8
828Y91.1Very high91.3Very high88 Ų8880.9 Ų80.935%0.34542%0.422SS..  trans-139.2160.1174.943-108.5000109.1Y702 Q706 R826Y702-Y828 HydrophobicContact CD1-CD2 4.39Å; Y702-Y828 AromaticContact CD1-CE2 3.96Å; Y702-Y828 HydrophobicContact CD1-CE2 3.96Å; Y702-Y828 AromaticContact CE1-CD2 3.72Å; Y702-Y828 HydrophobicContact CE1-CD2 3.72Å; Y702-Y828 AromaticContact CE1-CE2 3.74Å; Y702-Y828 HydrophobicContact CE1-CE2 3.74Å; Q706-Y828 HydrophobicContact CB-CD1 3.78Å; Q706-Y828 HydrophobicContact CB-CE1 3.97Å; Q706-Y828 HydrophobicContact CB-CG 4.07Å; Q706-Y828 HydrophobicContact CG-CD1 3.97Å; Q706-Y828 HydrophobicContact CG-CD2 3.85Å; Q706-Y828 HydrophobicContact CG-CE1 4.32Å; Q706-Y828 HydrophobicContact CG-CE2 4.21Å; Q706-Y828 HydrophobicContact CG-CG 3.72Å; R826-Y828 HydrophobicContact CB-CD1 3.79Å; R826-Y828 HydrophobicContact CB-CE1 4.02Å; R826-Y828 WeakPolarHBondContact O-CD1 3.45Å; R826-Y828 WeakPolarHBondContact O-CE1 3.49Å
829P92.6Very high91.5Very high88 Ų8874.7 Ų74.757%0.57140%0.395SS*.PPolyproline II helixtrans-54.6147178.9-25.534.9000111.7Y702Y702-P829 VanDerWaalsContact CE1-O 3.3Å; Y702-P829 WeakPolarHBondContact CE1-O 3.36Å; Y702-P829 PolarHBondContact OH-O 2.98Å
830P94.4Very high91.7Very high119 Ų11974.1 Ų74.177%0.77339%0.391SS*.PPolyproline II helixtrans-59.1149.1171.827.6-33.8000110.2
831M96.4Very high92Very high15 Ų1576.8 Ų76.87%0.07441%0.413CS..PPolyproline II helixtrans-61.1135.7172.7177.2169.15000109.4Y702 F721 R836 L839Y702-M831 HydrophobicContact CD1-CB 3.84Å; Y702-M831 HydrophobicContact CD2-CB 4.29Å; Y702-M831 HydrophobicContact CD2-CG 4.42Å; Y702-M831 HydrophobicContact CE1-CB 3.89Å; Y702-M831 HydrophobicContact CE2-CB 4.35Å; Y702-M831 HydrophobicContact CG-CB 4.03Å; Y702-M831 HydrophobicContact CG-CG 4.41Å; Y702-M831 HydrophobicContact CG-SD 4.31Å; F721-M831 HydrophobicContact CD1-CG 4.34Å; F721-M831 HydrophobicContact CD1-SD 4.2Å; F721-M831 HydrophobicContact CE1-CG 4.33Å; F721-M831 HydrophobicContact CE1-SD 3.61Å; M831-R836 HydrophobicContact CE-CB 3.96Å; M831-R836 HydrophobicContact CE-CG 4.1Å; M831-R836 VanDerWaalsContact CE-CZ 3.5Å; M831-R836 VanDerWaalsContact CE-NH2 3.29Å; M831-R836 HydrophobicContact SD-CB 4.47Å; M831-L839 HydrophobicContact SD-CD1 3.93Å
832D95.5Very high92.5Very high69 Ų6978.1 Ų78.137%0.36940%0.404SS..PPolyproline II helixtrans-65.9157.5177.366.989.7000111.7E834 S835 R836D832-E834 VanDerWaalsContact C-N 3.31Å; D832-E834 PolarHBondContact O-N 2.79Å; D832-E834 WeakPolarHBondContact OD1-CB 3.46Å; D832-E834 PolarHBondContact OD1-N 3.1Å; D832-S835 VanDerWaalsContact CG-OG 3.27Å; D832-S835 WeakPolarHBondContact OD1-CB 3.34Å; D832-S835 PolarHBondContact OD1-N 3.1Å; D832-S835 PolarHBondContact OD1-OG 3.05Å; D832-S835 VanDerWaalsContact OD1-OG 3.1Å; D832-S835 VanDerWaalsContact OD2-CB 3.32Å; D832-S835 WeakPolarHBondContact OD2-CB 3.42Å; D832-S835 PolarHBondContact OD2-OG 3.3Å; D832-R836 PolarHBondContact O-N 2.88Å; D832-R836 VanDerWaalsContact O-N 3.12Å
833Q95.3Very high93.1Very high148 Ų14868.5 Ų68.569%0.69236%0.362SS*.Hα-helixtrans-68.2-31.5-172.8-169.164.320.200112.6R836 A837Q833-R836 PolarHBondContact O-N 2.59Å; Q833-A837 WeakPolarHBondContact O-CB 3.27Å; Q833-A837 PolarHBondContact O-N 3.11Å
834E95.9Very high93.7Very high112 Ų11271.3 Ų71.352%0.52336%0.364SS..Hα-helixtrans-68.8-48.5-179.6-165.1-177.6-179.300110.6Y722 D832 R836 A837 F838Y722-E834 HydrophobicContact CD2-CG 4.24Å; Y722-E834 HydrophobicContact CE1-CG 4.28Å; Y722-E834 VanDerWaalsContact CE1-OE1 3.23Å; Y722-E834 WeakPolarHBondContact CE1-OE1 3.03Å; Y722-E834 HydrophobicContact CE2-CB 4.36Å; Y722-E834 HydrophobicContact CE2-CG 3.64Å; Y722-E834 PolarHBondContact OH-OE1 2.79Å; D832-E834 VanDerWaalsContact C-N 3.31Å; D832-E834 PolarHBondContact O-N 2.79Å; D832-E834 WeakPolarHBondContact OD1-CB 3.46Å; D832-E834 PolarHBondContact OD1-N 3.1Å; E834-R836 VanDerWaalsContact C-N 3.31Å; E834-R836 PolarHBondContact O-N 3.2Å; E834-A837 PolarHBondContact O-N 3.32Å; E834-F838 WeakPolarHBondContact O-CB 3.42Å; E834-F838 PolarHBondContact O-N 2.96Å
835S97.5Very high94Very high0 Ų073.8 Ų73.80%038%0.381CS..Hα-helixtrans-57.3-42.7172.3-65.60000112.3Y722 D832 F838 L839Y722-S835 WeakPolarHBondContact CB-OG 3.3Å; D832-S835 VanDerWaalsContact CG-OG 3.27Å; D832-S835 WeakPolarHBondContact OD1-CB 3.34Å; D832-S835 PolarHBondContact OD1-N 3.1Å; D832-S835 PolarHBondContact OD1-OG 3.05Å; D832-S835 VanDerWaalsContact OD1-OG 3.1Å; D832-S835 VanDerWaalsContact OD2-CB 3.32Å; D832-S835 WeakPolarHBondContact OD2-CB 3.42Å; D832-S835 PolarHBondContact OD2-OG 3.3Å; S835-F838 PolarHBondContact O-N 3.42Å; S835-L839 WeakPolarHBondContact O-CB 3.45Å; S835-L839 WeakPolarHBondContact O-CG 3.44Å; S835-L839 PolarHBondContact O-N 3.04Å
836R96.4Very high94.7Very high72 Ų7274.1 Ų74.127%0.27237%0.373SS..Hα-helixtrans-64.7-43.7178.2-174.8171.9-72.8-87.7-4.5111.8D699 M831 D832 Q833 E834 L839 S840D699-R836 IonicContact OD1-CZ 2.79Å; D699-R836 IonicContact OD1-NH1 2.9Å; D699-R836 IonicContact OD1-NH2 2.79Å; D699-R836 PolarHBondContact OD1-NH2 3.5Å; M831-R836 HydrophobicContact CE-CB 3.96Å; M831-R836 HydrophobicContact CE-CG 4.1Å; M831-R836 VanDerWaalsContact CE-CZ 3.5Å; M831-R836 VanDerWaalsContact CE-NH2 3.29Å; M831-R836 HydrophobicContact SD-CB 4.47Å; D832-R836 PolarHBondContact O-N 2.88Å; D832-R836 VanDerWaalsContact O-N 3.12Å; Q833-R836 PolarHBondContact O-N 2.59Å; E834-R836 VanDerWaalsContact C-N 3.31Å; E834-R836 PolarHBondContact O-N 3.2Å; R836-L839 PolarHBondContact O-N 3.08Å; R836-S840 WeakPolarHBondContact O-CB 3.43Å; R836-S840 PolarHBondContact O-N 3.31Å
837A95.2Very high95.2Very high59 Ų5971.5 Ų71.549%0.48836%0.363SS..Hα-helixtrans-64-44.9177.800000111.5Q833 E834 L839 S840 S841Q833-A837 WeakPolarHBondContact O-CB 3.27Å; Q833-A837 PolarHBondContact O-N 3.11Å; E834-A837 PolarHBondContact O-N 3.32Å; A837-L839 PolarHBondContact O-N 3.47Å; A837-S840 PolarHBondContact O-N 3.06Å; A837-S841 PolarHBondContact O-N 2.8Å; A837-S841 VanDerWaalsContact O-N 3.08Å
838F97.1Very high95.7Very high66 Ų6664 Ų6429%0.28933%0.334SS..Hα-helixtrans-57.8-49.3175.4175.8-93000111.8Y722 I725 T726 E834 S835 S841 Y842Y722-F838 HydrophobicContact CE2-CB 4.13Å; I725-F838 HydrophobicContact CB-CD1 4.36Å; I725-F838 HydrophobicContact CB-CE1 4.12Å; I725-F838 HydrophobicContact CD1-CD1 3.8Å; I725-F838 HydrophobicContact CD1-CE1 4.42Å; I725-F838 HydrophobicContact CG1-CD1 3.9Å; I725-F838 HydrophobicContact CG1-CE1 4.07Å; I725-F838 WeakPolarHBondContact O-CE1 3.3Å; T726-F838 HydrophobicContact CG2-CD1 4.27Å; T726-F838 HydrophobicContact CG2-CD2 3.88Å; T726-F838 HydrophobicContact CG2-CE1 4.22Å; T726-F838 HydrophobicContact CG2-CE2 3.82Å; T726-F838 HydrophobicContact CG2-CG 4.1Å; T726-F838 HydrophobicContact CG2-CZ 4Å; E834-F838 WeakPolarHBondContact O-CB 3.42Å; E834-F838 PolarHBondContact O-N 2.96Å; S835-F838 PolarHBondContact O-N 3.42Å; F838-S841 WeakPolarHBondContact O-CB 3.46Å; F838-S841 PolarHBondContact O-N 2.96Å; F838-Y842 WeakPolarHBondContact O-CB 3.25Å; F838-Y842 PolarHBondContact O-N 2.9Å
839L97.5Very high96Very high0 Ų064.2 Ų64.20%034%0.338CS..Hα-helixtrans-68.5-36.5-178-68.7171.4000113.1S698 F721 I725 L743 M831 S835 R836 A837 S841 Y842 Y843S698-L839 WeakPolarHBondContact OG-CB 3.48Å; F721-L839 HydrophobicContact CE1-CD1 3.63Å; F721-L839 HydrophobicContact CZ-CD1 3.82Å; I725-L839 HydrophobicContact CB-CD2 4.31Å; I725-L839 HydrophobicContact CD1-CD1 3.99Å; I725-L839 HydrophobicContact CD1-CD2 4.09Å; I725-L839 HydrophobicContact CD1-CG 3.85Å; I725-L839 HydrophobicContact CG2-CD2 4.3Å; L743-L839 HydrophobicContact CD2-CD2 3.49Å; L743-L839 VanDerWaalsContact CD2-CD2 3.49Å; M831-L839 HydrophobicContact SD-CD1 3.93Å; S835-L839 WeakPolarHBondContact O-CB 3.45Å; S835-L839 WeakPolarHBondContact O-CG 3.44Å; S835-L839 PolarHBondContact O-N 3.04Å; R836-L839 PolarHBondContact O-N 3.08Å; A837-L839 PolarHBondContact O-N 3.47Å; L839-S841 VanDerWaalsContact C-N 3.28Å; L839-S841 PolarHBondContact O-N 3.22Å; L839-Y842 PolarHBondContact O-N 3.41Å; L839-Y843 HydrophobicContact CB-CD2 4.32Å; L839-Y843 HydrophobicContact CB-CE2 4.45Å; L839-Y843 HydrophobicContact CD2-CE2 4.03Å; L839-Y843 WeakPolarHBondContact O-CD2 3.29Å; L839-Y843 PolarHBondContact O-N 2.95Å
840S95.1Very high96.2Very high26 Ų2660 Ų6018%0.18231%0.311CS..Hα-helixtrans-61.2-40.3173.8-171.60000110.8R836 A837 R844 E868R836-S840 WeakPolarHBondContact O-CB 3.43Å; R836-S840 PolarHBondContact O-N 3.31Å; A837-S840 PolarHBondContact O-N 3.06Å; S840-R844 PolarHBondContact O-N 3.14Å; S840-E868 PolarHBondContact OG-OE2 2.73Å
841S95.4Very high96.3Very high88 Ų8855.7 Ų55.762%0.61528%0.283SS*.Hα-helixtrans-67.8-44.5172.1-170.30000112.5A837 F838 L839 Y843 R844A837-S841 PolarHBondContact O-N 2.8Å; A837-S841 VanDerWaalsContact O-N 3.08Å; F838-S841 WeakPolarHBondContact O-CB 3.46Å; F838-S841 PolarHBondContact O-N 2.96Å; L839-S841 VanDerWaalsContact C-N 3.28Å; L839-S841 PolarHBondContact O-N 3.22Å; S841-Y843 PolarHBondContact O-N 2.97Å; S841-R844 VanDerWaalsContact O-CB 3.31Å; S841-R844 WeakPolarHBondContact O-CB 3.38Å; S841-R844 PolarHBondContact O-N 3.43Å
842Y96.6Very high96.3Very high74 Ų7460.5 Ų60.529%0.2930%0.304SS..Hα-helixtrans-62.5-42.3-177.9175-94.6000112.6L743 W747 F838 L839L743-Y842 HydrophobicContact CB-CE1 4.05Å; L743-Y842 HydrophobicContact CD1-CE1 4.14Å; L743-Y842 HydrophobicContact CD1-CE2 4.22Å; L743-Y842 HydrophobicContact CD2-CE1 4.33Å; L743-Y842 HydrophobicContact CG-CE1 4.4Å; W747-Y842 VanDerWaalsContact CZ2-OH 3.28Å; W747-Y842 WeakPolarHBondContact CZ2-OH 3.5Å; W747-Y842 AromaticContact NE1-CE1 3.74Å; W747-Y842 AromaticContact NE1-CZ 3.79Å; W747-Y842 PolarHBondContact NE1-OH 3.18Å; F838-Y842 WeakPolarHBondContact O-CB 3.25Å; F838-Y842 PolarHBondContact O-N 2.9Å; L839-Y842 PolarHBondContact O-N 3.41Å
843Y97.8Very high96.4Very high0 Ų057.5 Ų57.50%029%0.288CS..THydrogen-bonded Turntrans-87.80.6-179.7-70.3-62.3000114.1P697 L743 W747 L839 S841 D845 H846 N847P697-Y843 HydrophobicContact CB-CD1 4.09Å; P697-Y843 HydrophobicContact CB-CD2 3.79Å; P697-Y843 HydrophobicContact CB-CE1 4.03Å; P697-Y843 HydrophobicContact CB-CE2 3.72Å; P697-Y843 HydrophobicContact CB-CG 3.96Å; P697-Y843 HydrophobicContact CG-CD1 4.25Å; P697-Y843 HydrophobicContact CG-CD2 3.72Å; P697-Y843 HydrophobicContact CG-CE2 4.17Å; P697-Y843 HydrophobicContact CG-CG 3.75Å; L743-Y843 VanDerWaalsContact CA-OH 3.31Å; L743-Y843 WeakPolarHBondContact CA-OH 3.27Å; L743-Y843 PolarHBondContact O-OH 2.84Å; W747-Y843 AromaticContact CD1-CE1 3.91Å; L839-Y843 HydrophobicContact CB-CD2 4.32Å; L839-Y843 HydrophobicContact CB-CE2 4.45Å; L839-Y843 HydrophobicContact CD2-CE2 4.03Å; L839-Y843 WeakPolarHBondContact O-CD2 3.29Å; L839-Y843 PolarHBondContact O-N 2.95Å; S841-Y843 PolarHBondContact O-N 2.97Å; Y843-D845 PolarHBondContact O-N 3.13Å; Y843-H846 HydrophobicContact CD1-CB 4.41Å; Y843-H846 PolarHBondContact O-N 3.48Å; Y843-N847 WeakPolarHBondContact O-CB 3.48Å; Y843-N847 VanDerWaalsContact O-CG 3.31Å; Y843-N847 PolarHBondContact O-N 3.09Å
844R95.3Very high96.4Very high113 Ų11350.5 Ų50.543%0.42626%0.255SS..Hα-helixtrans-50.5-57-176-179.5176.7-179.7165.25.5112.3S840 S841 N847 V848 V872S840-R844 PolarHBondContact O-N 3.14Å; S841-R844 VanDerWaalsContact O-CB 3.31Å; S841-R844 WeakPolarHBondContact O-CB 3.38Å; S841-R844 PolarHBondContact O-N 3.43Å; R844-N847 PolarHBondContact O-N 3.09Å; R844-V848 WeakPolarHBondContact O-CG2 3.32Å; R844-V848 PolarHBondContact O-N 2.84Å; R844-V872 HydrophobicContact CG-CG2 3.99Å; R844-V872 PolarHBondContact NH2-O 3.27Å; R844-V872 VanDerWaalsContact NH2-O 3.08Å
845D95.3Very high96.3Very high121 Ų12152.7 Ų52.765%0.64727%0.265SS*.Hα-helixtrans-68.5-38.2-177.4-64.2-23.7000111.4Y843 N847 V848 E849Y843-D845 PolarHBondContact O-N 3.13Å; D845-N847 VanDerWaalsContact C-N 3.31Å; D845-N847 PolarHBondContact O-N 3.26Å; D845-V848 PolarHBondContact O-N 3.15Å; D845-E849 WeakPolarHBondContact O-CG 3.07Å; D845-E849 PolarHBondContact O-N 2.72Å
846H96.6Very high96.2Very high43 Ų4359.9 Ų59.920%0.19929%0.292CS..Hα-helixtrans-60.9-38.1174.7-69.1-67.6000112.9W747 Y843 L850W747-H846 AromaticContact CD1-CD2 3.63Å; W747-H846 AromaticContact CD1-CE1 3.47Å; W747-H846 VanDerWaalsContact CD1-CE1 3.47Å; W747-H846 AromaticContact CD1-CG 3.86Å; W747-H846 AromaticContact CD1-ND1 3.77Å; W747-H846 AromaticContact CD1-NE2 3.35Å; W747-H846 VanDerWaalsContact CD1-NE2 3.35Å; W747-H846 AromaticContact CD2-CE1 3.97Å; W747-H846 AromaticContact CE2-NE2 3.83Å; W747-H846 AromaticContact CG-CE1 3.67Å; W747-H846 AromaticContact CG-ND1 3.96Å; W747-H846 AromaticContact CG-NE2 3.99Å; W747-H846 AromaticContact NE1-CD2 3.78Å; W747-H846 AromaticContact NE1-CE1 3.65Å; W747-H846 AromaticContact NE1-NE2 3.2Å; W747-H846 PolarHBondContact NE1-NE2 2.94Å; W747-H846 VanDerWaalsContact NE1-NE2 3.2Å; Y843-H846 HydrophobicContact CD1-CB 4.41Å; Y843-H846 PolarHBondContact O-N 3.48Å; H846-L850 WeakPolarHBondContact O-CB 3.34Å; H846-L850 PolarHBondContact O-N 3Å
847N96.9Very high96.1Very high6 Ų658.2 Ų58.23%0.03229%0.288CS..Hα-helixtrans-71.7-36.7177.1-76.2-15.3000111.6Y843 R844 D845 L850 S851 L865Y843-N847 WeakPolarHBondContact O-CB 3.48Å; Y843-N847 VanDerWaalsContact O-CG 3.31Å; Y843-N847 PolarHBondContact O-N 3.09Å; R844-N847 PolarHBondContact O-N 3.09Å; D845-N847 VanDerWaalsContact C-N 3.31Å; D845-N847 PolarHBondContact O-N 3.26Å; N847-L850 PolarHBondContact O-N 3.48Å; N847-S851 PolarHBondContact O-N 3.4Å; N847-L865 HydrophobicContact CB-CD1 3.67Å
848V96.1Very high95.9Very high38 Ų3858.5 Ų58.523%0.2330%0.298CS..Hα-helixtrans-62.3-47.3172.1170.40000110.6R844 D845 L850 S851 K852 L869R844-V848 WeakPolarHBondContact O-CG2 3.32Å; R844-V848 PolarHBondContact O-N 2.84Å; D845-V848 PolarHBondContact O-N 3.15Å; V848-L850 VanDerWaalsContact C-N 3.34Å; V848-L850 PolarHBondContact O-N 3.23Å; V848-S851 WeakPolarHBondContact O-CB 3.42Å; V848-S851 PolarHBondContact O-N 2.92Å; V848-K852 WeakPolarHBondContact O-CG 3.46Å; V848-K852 PolarHBondContact O-N 3.5Å; V848-L869 HydrophobicContact CG2-CD2 4Å
849E96.7Very high95.6Very high91 Ų9158.3 Ų58.343%0.42530%0.298SS..Hα-helixtrans-63.8-38.8176.7-67.6-48.5123.100112.2A749 D845 S851 K852 L853A749-E849 HydrophobicContact CB-CB 4.07Å; D845-E849 WeakPolarHBondContact O-CG 3.07Å; D845-E849 PolarHBondContact O-N 2.72Å; E849-S851 VanDerWaalsContact C-N 3.33Å; E849-S851 PolarHBondContact O-N 3.32Å; E849-K852 PolarHBondContact O-N 2.93Å; E849-K852 IonicContact OE1-NZ 3.52Å; E849-K852 PolarHBondContact OE1-NZ 3.29Å; E849-K852 IonicContact OE2-NZ 2.83Å; E849-L853 WeakPolarHBondContact O-CB 3.39Å; E849-L853 PolarHBondContact O-N 3.12Å
850L97.6Very high95.2Very high1 Ų162.9 Ų62.91%0.00533%0.327CS..Hα-helixtrans-61.8-41.4173-179.563.7000111.7L694 Y748 A749 I752 H846 N847 V848 K852 L853 L854 W864 L865L694-L850 HydrophobicContact CD1-CD1 4.34Å; L694-L850 HydrophobicContact CD1-CD2 4.3Å; Y748-L850 HydrophobicContact CD2-CD2 3.85Å; Y748-L850 HydrophobicContact CG-CD2 4.43Å; A749-L850 HydrophobicContact CB-CB 4.23Å; I752-L850 HydrophobicContact CD1-CD1 3.93Å; H846-L850 WeakPolarHBondContact O-CB 3.34Å; H846-L850 PolarHBondContact O-N 3Å; N847-L850 PolarHBondContact O-N 3.48Å; V848-L850 VanDerWaalsContact C-N 3.34Å; V848-L850 PolarHBondContact O-N 3.23Å; L850-K852 PolarHBondContact O-N 3.37Å; L850-L853 PolarHBondContact O-N 3.45Å; L850-L854 HydrophobicContact CD1-CD1 4.3Å; L850-L854 HydrophobicContact CD1-CG 4.12Å; L850-L854 HydrophobicContact CG-CD1 4.07Å; L850-L854 HydrophobicContact CG-CG 4.31Å; L850-L854 WeakPolarHBondContact O-CB 3.04Å; L850-L854 VanDerWaalsContact O-CG 3.3Å; L850-L854 WeakPolarHBondContact O-CG 3Å; L850-L854 PolarHBondContact O-N 2.95Å; L850-W864 HydrophobicContact CD2-CH2 3.76Å; L850-W864 HydrophobicContact CD2-CZ2 4.19Å; L850-L865 HydrophobicContact CD2-CD2 3.94Å; L850-L865 HydrophobicContact CG-CD2 4.05Å
851S96.9Very high95Very high27 Ų2763.8 Ų63.819%0.18933%0.33CS..Hα-helixtrans-61.8-43.6177-171.20000112.1N847 V848 E849 L853 H855N847-S851 PolarHBondContact O-N 3.4Å; V848-S851 WeakPolarHBondContact O-CB 3.42Å; V848-S851 PolarHBondContact O-N 2.92Å; E849-S851 VanDerWaalsContact C-N 3.33Å; E849-S851 PolarHBondContact O-N 3.32Å; S851-L853 VanDerWaalsContact C-N 3.35Å; S851-H855 WeakPolarHBondContact O-CB 3.42Å; S851-H855 PolarHBondContact O-N 3.37Å
852K96.1Very high94.9Very high117 Ų11760 Ų6051%0.50930%0.303SS..Hα-helixtrans-62.4-44.3176.2-68.4172.7-175.4168.70110.9V848 E849 L850 H855 R856V848-K852 WeakPolarHBondContact O-CG 3.46Å; V848-K852 PolarHBondContact O-N 3.5Å; E849-K852 PolarHBondContact O-N 2.93Å; E849-K852 IonicContact OE1-NZ 3.52Å; E849-K852 PolarHBondContact OE1-NZ 3.29Å; E849-K852 IonicContact OE2-NZ 2.83Å; L850-K852 PolarHBondContact O-N 3.37Å; K852-H855 PolarHBondContact O-N 3.39Å; K852-R856 WeakPolarHBondContact O-CB 3.49Å; K852-R856 PolarHBondContact O-N 3.1Å
853L96.4Very high94.5Very high5 Ų558.5 Ų58.53%0.02630%0.303CS..Hα-helixtrans-60.6-50.8177.3176.159.3000112A749 I752 E753 L756 E849 L850 S851 H855 R856 L857A749-L853 HydrophobicContact CB-CD2 4.17Å; I752-L853 HydrophobicContact CB-CD2 3.83Å; I752-L853 HydrophobicContact CG2-CD2 3.71Å; E753-L853 HydrophobicContact CG-CD1 4.31Å; E753-L853 HydrophobicContact CG-CD2 4.15Å; L756-L853 HydrophobicContact CD1-CD1 3.96Å; E849-L853 WeakPolarHBondContact O-CB 3.39Å; E849-L853 PolarHBondContact O-N 3.12Å; L850-L853 PolarHBondContact O-N 3.45Å; S851-L853 VanDerWaalsContact C-N 3.35Å; L853-H855 VanDerWaalsContact C-N 3.3Å; L853-H855 PolarHBondContact O-N 2.93Å; L853-R856 WeakPolarHBondContact O-CB 3.43Å; L853-R856 PolarHBondContact O-N 2.82Å; L853-R856 VanDerWaalsContact O-N 3.14Å; L853-L857 HydrophobicContact CD1-CD1 3.94Å; L853-L857 HydrophobicContact CD1-CG 4.14Å; L853-L857 HydrophobicContact CG-CD1 4Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.4Å; L853-L857 PolarHBondContact O-N 3.42Å
854L95.7Very high94.2Very high2 Ų258.6 Ų58.61%0.0130%0.304CS..Hα-helixtrans-61.6-39.4179.3-69.2177000111.8I766 L850 L857 G858 Q859 L861 P862 L865I766-L854 HydrophobicContact CD1-CD2 3.53Å; I766-L854 HydrophobicContact CG2-CD2 4.46Å; L850-L854 HydrophobicContact CD1-CD1 4.3Å; L850-L854 HydrophobicContact CD1-CG 4.12Å; L850-L854 HydrophobicContact CG-CD1 4.07Å; L850-L854 HydrophobicContact CG-CG 4.31Å; L850-L854 WeakPolarHBondContact O-CB 3.04Å; L850-L854 VanDerWaalsContact O-CG 3.3Å; L850-L854 WeakPolarHBondContact O-CG 3Å; L850-L854 PolarHBondContact O-N 2.95Å; L854-L857 CarbonylContact O-C 3.57Å; L854-L857 PolarHBondContact O-N 2.74Å; L854-G858 PolarHBondContact O-N 2.84Å; L854-G858 VanDerWaalsContact O-N 3.1Å; L854-Q859 HydrophobicContact CB-CB 4.38Å; L854-Q859 HydrophobicContact CD2-CB 3.95Å; L854-Q859 PolarHBondContact O-N 3.3Å; L854-L861 HydrophobicContact CB-CD2 3.95Å; L854-L861 HydrophobicContact CD1-CD2 3.91Å; L854-P862 HydrophobicContact CD1-CG 4.42Å; L854-L865 HydrophobicContact CD1-CD2 3.85Å
855H95.1Very high94.2Very high158 Ų15853.2 Ų53.273%0.73128%0.283SS*.Hα-helixtrans-60.9-45.5173.7-174.269.5000111.9S851 K852 L853 L857 G858S851-H855 WeakPolarHBondContact O-CB 3.42Å; S851-H855 PolarHBondContact O-N 3.37Å; K852-H855 PolarHBondContact O-N 3.39Å; L853-H855 VanDerWaalsContact C-N 3.3Å; L853-H855 PolarHBondContact O-N 2.93Å; H855-L857 VanDerWaalsContact C-N 3.26Å; H855-L857 PolarHBondContact O-N 3.14Å; H855-G858 PolarHBondContact O-N 2.83Å
856R94.8Very high94Very high150 Ų15053.8 Ų53.857%0.56628%0.277SS*.Hα-helixtrans-60.8-34.3175.6-170.3-176.872-164.47112.6E753 K852 L853 G858E753-R856 IonicContact OE1-CZ 3.62Å; E753-R856 IonicContact OE1-NH1 3.66Å; E753-R856 PolarHBondContact OE1-NH1 3.39Å; E753-R856 IonicContact OE1-NH2 2.93Å; E753-R856 PolarHBondContact OE1-NH2 3.12Å; E753-R856 IonicContact OE2-CZ 3.05Å; E753-R856 IonicContact OE2-NH1 2.65Å; E753-R856 IonicContact OE2-NH2 2.94Å; E753-R856 PolarHBondContact OE2-NH2 3.5Å; K852-R856 WeakPolarHBondContact O-CB 3.49Å; K852-R856 PolarHBondContact O-N 3.1Å; L853-R856 WeakPolarHBondContact O-CB 3.43Å; L853-R856 PolarHBondContact O-N 2.82Å; L853-R856 VanDerWaalsContact O-N 3.14Å; R856-G858 VanDerWaalsContact C-N 3.29Å
857L93Very high93.7Very high37 Ų3757.1 Ų57.119%0.19429%0.292CS..THydrogen-bonded Turntrans-81.7-4.4177.3-63.9173.2000113.6I752 L756 A761 I766 L853 L854 H855 Q859I752-L857 HydrophobicContact CG2-CD1 4.5Å; L756-L857 HydrophobicContact CD1-CD1 4.06Å; L756-L857 HydrophobicContact CD1-CD2 3.87Å; L756-L857 HydrophobicContact CD1-CG 4.46Å; L756-L857 HydrophobicContact CD2-CD2 4.2Å; A761-L857 HydrophobicContact CB-CD2 3.69Å; I766-L857 HydrophobicContact CD1-CD1 4.18Å; L853-L857 HydrophobicContact CD1-CD1 3.94Å; L853-L857 HydrophobicContact CD1-CG 4.14Å; L853-L857 HydrophobicContact CG-CD1 4Å; L853-L857 VanDerWaalsContact O-CG 3.3Å; L853-L857 WeakPolarHBondContact O-CG 3.4Å; L853-L857 PolarHBondContact O-N 3.42Å; L854-L857 CarbonylContact O-C 3.57Å; L854-L857 PolarHBondContact O-N 2.74Å; H855-L857 VanDerWaalsContact C-N 3.26Å; H855-L857 PolarHBondContact O-N 3.14Å; L857-Q859 HydrophobicContact CB-CB 4.5Å; L857-Q859 HydrophobicContact CB-CG 3.82Å; L857-Q859 PolarHBondContact O-N 3.09Å
858G92.7Very high93.5Very high66 Ų6657.5 Ų57.568%0.6829%0.294SS*.THydrogen-bonded Turntrans66.622.7-174.500000113.9L854 H855 R856L854-G858 PolarHBondContact O-N 2.84Å; L854-G858 VanDerWaalsContact O-N 3.1Å; H855-G858 PolarHBondContact O-N 2.83Å; R856-G858 VanDerWaalsContact C-N 3.29Å
859Q89.5Confident93.2Very high62 Ų6257.3 Ų57.329%0.2929%0.291SS..PPolyproline II helixtrans-93.6141.8-177.3-65.5-67.3-26.700111.1L854 L857L854-Q859 HydrophobicContact CB-CB 4.38Å; L854-Q859 HydrophobicContact CD2-CB 3.95Å; L854-Q859 PolarHBondContact O-N 3.3Å; L857-Q859 HydrophobicContact CB-CB 4.5Å; L857-Q859 HydrophobicContact CB-CG 3.82Å; L857-Q859 PolarHBondContact O-N 3.09Å
860P89.6Confident92.8Very high95 Ų9559.7 Ų59.762%0.61730%0.302SS*.PPolyproline II helixtrans-65.9141.7175.928.2-33.6000110.8P862P860-P862 WeakPolarHBondContact O-CD 3.43Å
861L91.8Very high92Very high46 Ų4665.6 Ų65.624%0.24133%0.328CS..PPolyproline II helixtrans-68.8129174.4-61.7179.4000109.9L854 L865 R866 L869L854-L861 HydrophobicContact CB-CD2 3.95Å; L854-L861 HydrophobicContact CD1-CD2 3.91Å; L861-L865 HydrophobicContact CD2-CD2 3.98Å; L861-R866 HydrophobicContact CB-CG 3.81Å; L861-R866 HydrophobicContact CD1-CG 4.35Å; L861-R866 VanDerWaalsContact O-CZ 3.28Å; L861-R866 PolarHBondContact O-NE 3.2Å; L861-R866 PolarHBondContact O-NH2 2.03Å; L861-L869 HydrophobicContact CD1-CD1 4.4Å
862P91.7Very high90.4Very high7 Ų766.5 Ų66.55%0.04533%0.332CS..PPolyproline II helixtrans-54.1148.4170.8-27.935.4000112.1D768 L854 P860 W864 L865 R866D768-P862 HydrophobicContact CB-CB 4.25Å; D768-P862 WeakPolarHBondContact OD2-CA 3.42Å; L854-P862 HydrophobicContact CD1-CG 4.42Å; P860-P862 WeakPolarHBondContact O-CD 3.43Å; P862-W864 VanDerWaalsContact C-N 3.34Å; P862-W864 HydrophobicContact CB-CD2 4.44Å; P862-W864 HydrophobicContact CB-CG 4.27Å; P862-W864 HydrophobicContact CB-CZ2 4.46Å; P862-W864 VanDerWaalsContact CB-NE1 3.25Å; P862-W864 HydrophobicContact CG-CZ2 4.46Å; P862-W864 PolarHBondContact O-N 3.28Å; P862-L865 HydrophobicContact CB-CB 4.28Å; P862-L865 PolarHBondContact O-N 2.94Å; P862-L865 VanDerWaalsContact O-N 3.08Å; P862-R866 PolarHBondContact O-N 3.11Å; P862-R866 VanDerWaalsContact O-N 3.13Å
863S88.3Confident88.2Confident44 Ų4474.7 Ų74.731%0.30836%0.36SS..Hα-helixtrans-54.9-46.6-178.948.60000112.7D768 Q770 L865 R866 Q867D768-S863 PolarHBondContact OD2-N 2.78Å; D768-S863 PolarHBondContact OD2-OG 3.28Å; Q770-S863 PolarHBondContact OE1-OG 3.04Å; S863-L865 VanDerWaalsContact C-N 3.33Å; S863-L865 PolarHBondContact O-N 3.34Å; S863-R866 PolarHBondContact O-N 2.82Å; S863-Q867 WeakPolarHBondContact O-CG 3.45Å; S863-Q867 PolarHBondContact O-N 2.74Å
864W92.8Very high87.8Confident1 Ų178.2 Ų78.20%0.00438%0.377CS..Hα-helixtrans-60.5-38.4175.765.8-95.3000113.3L694 I695 D696 P697 Y748 Q770 L850 P862 Q867 E868L694-W864 HydrophobicContact CB-CZ2 4.09Å; L694-W864 PolarHBondContact O-NE1 3.1Å; I695-W864 VanDerWaalsContact C-CE2 3.47Å; I695-W864 WeakPolarHBondContact O-CZ2 3.39Å; D696-W864 HydrophobicContact CB-CB 4.28Å; D696-W864 HydrophobicContact CB-CD2 4.37Å; D696-W864 HydrophobicContact CB-CE3 4.25Å; D696-W864 HydrophobicContact CB-CG 4.41Å; P697-W864 HydrophobicContact CG-CZ3 4.29Å; Y748-W864 AromaticContact CD2-CH2 3.96Å; Y748-W864 HydrophobicContact CD2-CH2 3.96Å; Y748-W864 HydrophobicContact CD2-CZ2 4.19Å; Y748-W864 AromaticContact CE2-CH2 3.88Å; Y748-W864 HydrophobicContact CE2-CH2 3.88Å; Y748-W864 AromaticContact CE2-CZ2 3.99Å; Y748-W864 HydrophobicContact CE2-CZ2 3.99Å; Q770-W864 HydrophobicContact CG-CB 4.5Å; L850-W864 HydrophobicContact CD2-CH2 3.76Å; L850-W864 HydrophobicContact CD2-CZ2 4.19Å; P862-W864 VanDerWaalsContact C-N 3.34Å; P862-W864 HydrophobicContact CB-CD2 4.44Å; P862-W864 HydrophobicContact CB-CG 4.27Å; P862-W864 HydrophobicContact CB-CZ2 4.46Å; P862-W864 VanDerWaalsContact CB-NE1 3.25Å; P862-W864 HydrophobicContact CG-CZ2 4.46Å; P862-W864 PolarHBondContact O-N 3.28Å; W864-Q867 PolarHBondContact O-N 3.46Å; W864-E868 PolarHBondContact O-N 3.36Å
865L94.6Very high87.4Confident0 Ų082.2 Ų82.20%040%0.396CS..Hα-helixtrans-69.7-38.9-177.8-179.560000110.7N847 L850 L854 L861 P862 S863 Q867 E868 L869N847-L865 HydrophobicContact CB-CD1 3.67Å; L850-L865 HydrophobicContact CD2-CD2 3.94Å; L850-L865 HydrophobicContact CG-CD2 4.05Å; L854-L865 HydrophobicContact CD1-CD2 3.85Å; L861-L865 HydrophobicContact CD2-CD2 3.98Å; P862-L865 HydrophobicContact CB-CB 4.28Å; P862-L865 PolarHBondContact O-N 2.94Å; P862-L865 VanDerWaalsContact O-N 3.08Å; S863-L865 VanDerWaalsContact C-N 3.33Å; S863-L865 PolarHBondContact O-N 3.34Å; L865-Q867 VanDerWaalsContact C-N 3.28Å; L865-Q867 PolarHBondContact O-N 2.93Å; L865-E868 PolarHBondContact O-N 3.33Å; L865-L869 HydrophobicContact CD1-CD1 4.1Å; L865-L869 HydrophobicContact CD1-CG 4.08Å; L865-L869 HydrophobicContact CG-CD1 3.89Å; L865-L869 HydrophobicContact CG-CG 4.33Å; L865-L869 WeakPolarHBondContact O-CB 3.39Å; L865-L869 VanDerWaalsContact O-CG 3.22Å; L865-L869 WeakPolarHBondContact O-CG 3.48Å; L865-L869 PolarHBondContact O-N 2.88Å
866R91.8Very high87Confident134 Ų13478 Ų7851%0.50638%0.377SS..Hα-helixtrans-59.7-40.5174.2-63.1-179.7-158.6179.33.6111.5L861 P862 S863 Q870L861-R866 HydrophobicContact CB-CG 3.81Å; L861-R866 HydrophobicContact CD1-CG 4.35Å; L861-R866 VanDerWaalsContact O-CZ 3.28Å; L861-R866 PolarHBondContact O-NE 3.2Å; L861-R866 PolarHBondContact O-NH2 2.03Å; P862-R866 PolarHBondContact O-N 3.11Å; P862-R866 VanDerWaalsContact O-N 3.13Å; S863-R866 PolarHBondContact O-N 2.82Å; R866-Q870 WeakPolarHBondContact O-CG 3.06Å; R866-Q870 PolarHBondContact O-N 2.81Å
867Q90.8Very high86.5Confident112 Ų11273.8 Ų73.852%0.52337%0.366SS..Hα-helixtrans-66.8-44.1178.3-67.3173.12.400111.8S863 W864 L865 Q870S863-Q867 WeakPolarHBondContact O-CG 3.45Å; S863-Q867 PolarHBondContact O-N 2.74Å; W864-Q867 PolarHBondContact O-N 3.46Å; L865-Q867 VanDerWaalsContact C-N 3.28Å; L865-Q867 PolarHBondContact O-N 2.93Å; Q867-Q870 PolarHBondContact O-N 2.82Å
868E91.4Very high86.1Confident14 Ų1476.1 Ų76.17%0.06538%0.377CS..Hα-helixtrans-65.4-39.9177.1-72.7-57.9113.400112.2S840 W864 L865 Q870 K871S840-E868 PolarHBondContact OG-OE2 2.73Å; W864-E868 PolarHBondContact O-N 3.36Å; L865-E868 PolarHBondContact O-N 3.33Å; E868-Q870 VanDerWaalsContact C-N 3.28Å; E868-Q870 PolarHBondContact O-N 3.15Å; E868-K871 WeakPolarHBondContact O-CB 3.5Å; E868-K871 PolarHBondContact O-N 3.48Å; E868-K871 VanDerWaalsContact O-N 3.14Å; E868-K871 WeakPolarHBondContact OE1-CE 3.37Å; E868-K871 IonicContact OE1-NZ 3.67Å; E868-K871 PolarHBondContact OE1-NZ 3.42Å; E868-K871 IonicContact OE2-NZ 3.92Å
869L90Very high85.7Confident34 Ų3476.7 Ų76.718%0.17836%0.357CS..Hα-helixtrans-68.7-24.3178.5-68170.4000113.4V848 L861 L865 K871 V872V848-L869 HydrophobicContact CG2-CD2 4Å; L861-L869 HydrophobicContact CD1-CD1 4.4Å; L865-L869 HydrophobicContact CD1-CD1 4.1Å; L865-L869 HydrophobicContact CD1-CG 4.08Å; L865-L869 HydrophobicContact CG-CD1 3.89Å; L865-L869 HydrophobicContact CG-CG 4.33Å; L865-L869 WeakPolarHBondContact O-CB 3.39Å; L865-L869 VanDerWaalsContact O-CG 3.22Å; L865-L869 WeakPolarHBondContact O-CG 3.48Å; L865-L869 PolarHBondContact O-N 2.88Å; L869-K871 PolarHBondContact O-N 2.8Å; L869-V872 WeakPolarHBondContact O-CB 3.43Å; L869-V872 PolarHBondContact O-N 3.48Å
870Q88.4Confident85.4Confident141 Ų14177.8 Ų77.866%0.65936%0.362SS*.Hα-helixtrans-67-27.2173.2-77172.7-2.400112.3R866 Q867 E868 V872R866-Q870 WeakPolarHBondContact O-CG 3.06Å; R866-Q870 PolarHBondContact O-N 2.81Å; Q867-Q870 PolarHBondContact O-N 2.82Å; E868-Q870 VanDerWaalsContact C-N 3.28Å; E868-Q870 PolarHBondContact O-N 3.15Å; Q870-V872 PolarHBondContact O-N 2.9Å
871K80.8Confident85.1Confident126 Ų12676.5 Ų76.555%0.54834%0.342SS..THydrogen-bonded Turntrans-75.8-10.3176.8-57.6173.7-178.7172.30113.5E868 L869E868-K871 WeakPolarHBondContact O-CB 3.5Å; E868-K871 PolarHBondContact O-N 3.48Å; E868-K871 VanDerWaalsContact O-N 3.14Å; E868-K871 WeakPolarHBondContact OE1-CE 3.37Å; E868-K871 IonicContact OE1-NZ 3.67Å; E868-K871 PolarHBondContact OE1-NZ 3.42Å; E868-K871 IonicContact OE2-NZ 3.92Å; L869-K871 PolarHBondContact O-N 2.8Å
872V64.2Low84.5Confident46 Ų4679 Ų7928%0.27935%0.35SS..THydrogen-bonded Turntrans-84-16.6-179.4177.10000111.7R844 L869 Q870R844-V872 HydrophobicContact CG-CG2 3.99Å; R844-V872 PolarHBondContact NH2-O 3.27Å; R844-V872 VanDerWaalsContact NH2-O 3.08Å; L869-V872 WeakPolarHBondContact O-CB 3.43Å; L869-V872 PolarHBondContact O-N 3.48Å; Q870-V872 PolarHBondContact O-N 2.9Å
873R49.3Very low83.8Confident289 Ų28985.5 Ų85.5100%1.09138%0.378SS*.  trans-82.10-178-76.8-172.4176.2-177.2-1.2113.6

Retrieved 873 of 873 residues in 2390.2 ms (Link to these results)

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