A0A087XBI7_POEFO Loading...

Fibroblast growth factor receptor

AlphaFold DB , UniProt , Accession A0A087XBI7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 814 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
1M35.5Very low35.9Very low246 Ų246131 Ų131100%1.21280%0.799SS**  0125.10-74163.1167.900107
2G38.5Very low35.2Very low72 Ų72135 Ų13574%0.74281%0.81SS**  trans-83.8-165.816000000110.2
3P55.4Low34.6Very low105 Ų105142.5 Ų142.568%0.68282%0.815SS**  cis-121.1159.815.437.1-19.4000113.9
4E35.6Very low34Very low176 Ų176150.4 Ų150.482%0.82283%0.826SS**  62.5143104.3-51.4172.913800114.7
5L31.2Very low33.6Very low132 Ų132146.5 Ų146.569%0.69182%0.821SS**  cis-154.7152.147.1-104.788.8000113.9
6E29.1Very low35.2Very low169 Ų169144.8 Ų144.879%0.7982%0.818SS**  trans49.4168.6138-63.5-176.2169.900123.5
7S28.5Very low35.9Very low89 Ų89143.2 Ų143.262%0.62282%0.815SS**  -177.4127.4-65.952.30000110.8
8V27.4Very low35.6Very low136 Ų136140.6 Ų140.682%0.82481%0.807SS**  36149.5128.4-172.90000120.1
9P54.8Low35.4Very low118 Ų118146.6 Ų146.677%0.76682%0.815SS**  cis-135.2-170.8-21.637.4-17.2000115.1
10A28.5Very low34.9Very low102 Ų102142.7 Ų142.784%0.84381%0.81SS**  139.7136.9121.400000117.7
11A30.5Very low34.5Very low96 Ų96144.2 Ų144.279%0.79381%0.812SS**  trans-75.2162.7-173.900000116.9
12L27.6Very low34.3Very low179 Ų179138.6 Ų138.694%0.93779%0.792SS**  trans-147.6136.7145.4-124.8137.2000113.4
13R26.8Very low34Very low232 Ų232138.8 Ų138.888%0.87579%0.786SS**  trans-78.1153.8-177.1-62.1169.4171.4172-4.5112
14R26.1Very low32.7Very low254 Ų254140.9 Ų140.996%0.95879%0.791SS**  trans-153.3139.4131.9-111.4167.8-170.7179.93111.7
15A29.3Very low32.4Very low91 Ų91143.4 Ų143.475%0.75279%0.793SS**  trans-129.3175.8-178.400000108.4
16P59.1Low32.2Very low119 Ų119142.7 Ų142.777%0.77380%0.798SS**  trans-99.8-175.7-140.940.3-40000115.1
17P45.9Very low32.2Very low119 Ų119139.7 Ų139.777%0.77380%0.796SS**  -134.6166.3120.724.2-6.1000111.9
18S30.6Very low32.1Very low95 Ų95142.6 Ų142.666%0.66480%0.803SS**  cis142.6142.3-14.971.30000108.4
19R31.6Very low32.1Very low255 Ų255148.1 Ų148.196%0.96281%0.809SS**  trans79.6140.9174.2-58.4175.4159.3173.2-6.5116.4
20G26.1Very low30.7Very low69 Ų69149.4 Ų149.471%0.71181%0.809SS**  cis-153.5148.1-6.200000110.2
21M27.5Very low30.8Very low175 Ų175148.6 Ų148.686%0.86280%0.798SS**  89.313861.4-129.4-172.492.200113.7
22T30.9Very low30.7Very low128 Ų128150.7 Ų150.779%0.78579%0.794SS**  trans80.4138.6175.472.50000116.8
23A30.7Very low30.7Very low75 Ų75148.3 Ų148.362%0.6278%0.782SS**  cis-173.2150.3-6.300000114.3
24L29.8Very low30.8Very low149 Ų149144.5 Ų144.578%0.7878%0.778SS**  trans65.2147.3143.6-61.3167.5000119.2
25W28.4Very low31.4Very low229 Ų229137 Ų13787%0.86776%0.762SS**  cis-133.8157.3-1.9-78.2-32.5000108.9
26C26.3Very low31.4Very low117 Ų117140 Ų14079%0.79177%0.765SS**  cis81.588.928.6-76.80000118.9
27S29.4Very low29.9Very low107 Ų107139.5 Ų139.575%0.74876%0.763SS**  trans-178.6115.7134.451.60000109.1
28L26.9Very low29.1Very low149 Ų149140.1 Ų140.178%0.7876%0.764SS**  54.8131.280.1-73.5158000112.1
29W26.6Very low28.9Very low252 Ų252140.5 Ų140.596%0.95577%0.767SS**  -135.8133.958.3-83.133.2000116
30L26.7Very low29.3Very low145 Ų145134.2 Ų134.276%0.75976%0.76SS**  trans-87.8164.8135.9-89.1126.3000106.4
31S29.3Very low29.4Very low86 Ų86135.9 Ų135.960%0.60177%0.767SS**  cis-171-179.415.524.30000106.5
32L28.8Very low29.4Very low139 Ų139139.1 Ų139.173%0.72877%0.769SS**  175.4130.480.6-135.277.7000110.1
33L27.6Very low29.2Very low130 Ų130141.2 Ų141.268%0.68177%0.774SS**  52.6118.8128-61.6-179.1000120.9
34L29Very low29.2Very low152 Ų152143.3 Ų143.380%0.79678%0.782SS**  80.1169.874.1-83.1-160.5000113.8
35P39.5Very low29.2Very low96 Ų96143.4 Ų143.462%0.62379%0.789SS**  cis-132.5176.1-5.620.94.8000115.5
36L29.4Very low29.1Very low154 Ų154137.3 Ų137.381%0.80679%0.787SS**  135.4161.2120.8-68.8178.9000107.5
37C26.8Very low29.1Very low109 Ų109140.3 Ų140.374%0.73679%0.79SS**  cis-167.7158.7-23.7-110.10000106.9
38V28.7Very low29.2Very low131 Ų131141.4 Ų141.479%0.79479%0.794SS**  cis-156.1167.6-11.791.70000108.8
39S26.3Very low29.2Very low103 Ų103140.4 Ų140.472%0.7279%0.794SS**  trans-84.1-161.4-178.8-230000113
40P40.8Very low29.2Very low124 Ų124135.9 Ų135.981%0.80579%0.789SS**  -127.7174-5236-21.1000112.3
41A27.7Very low29.2Very low104 Ų104134.6 Ų134.686%0.8679%0.792SS**  trans-166.6155.4146.700000114.1
42R28.4Very low29.2Very low243 Ų243137.1 Ų137.192%0.91780%0.804SS**PPolyproline II helixtrans-76.8152.2-179.4-67.2169.9170.9174-5113.3
43L27.4Very low29.1Very low171 Ų171136.3 Ų136.390%0.89581%0.809SS**PPolyproline II helixtrans-69.9140.3158.9-84.379.1000111.4
44P29.2Very low29.4Very low119 Ų119134.6 Ų134.677%0.77381%0.809SS**PPolyproline II helixtrans-100.9157.4153.334.9-26.5000112.2
45T30.1Very low29.5Very low151 Ų151137 Ų13793%0.92682%0.816SS**PPolyproline II helixtrans-75.9133.7172.916.10000112.6
46A25.9Very low29.3Very low101 Ų101137.6 Ų137.684%0.83582%0.818SS**  trans-160.6152.8155.200000111.1
47Q27.5Very low29.8Very low180 Ų180133.8 Ų133.884%0.84181%0.808SS**PPolyproline II helixtrans-78.5153.3179.7-60.7161.5-74.300111.9
48P29.8Very low30.8Very low130 Ų130135.6 Ų135.684%0.84480%0.804SS**PPolyproline II helixtrans-86.5119.9156.730.1-21.8000110.2
49T27.7Very low32.2Very low128 Ų128134.3 Ų134.379%0.78579%0.792SS**PPolyproline II helixtrans-84.2152.7160.343.70000110.4
50D26.1Very low34.3Very low157 Ų157132.8 Ų132.884%0.8477%0.774SS**PPolyproline II helixtrans-55.1140.4-177.7-58.6-70.4000114.7
51S27.4Very low35.9Very low119 Ų119131.9 Ų131.983%0.83276%0.762SS**  trans-158.3129.6133.639.60000110.4
52V28.6Very low38.2Very low138 Ų138130 Ų13084%0.83674%0.735SS**  trans-89.4134.2-179.7172.60000109.5
53S27.9Very low40.5Very low122 Ų122123.9 Ų123.985%0.85372%0.719SS**  trans-143.2119.6153.762.80000110
54S33.6Very low42.8Very low95 Ų95116.9 Ų116.966%0.66468%0.682SS**  trans-88.6132.8-172.250.40000113.4
55E31Very low45.1Very low201 Ų201111.6 Ų111.694%0.93965%0.649SS**  trans-126.280.4151.7-76-164.6147.300109.5A57E55-A57 PolarHBondContact O-N 3.27Å
56T35.3Very low47.1Very low109 Ų109109.2 Ų109.267%0.66963%0.629SS**  trans-79.896.2168.245.40000109.3F58T56-F58 PolarHBondContact O-N 3.27Å
57A39.5Very low49.4Very low74 Ų74106.3 Ų106.361%0.61261%0.609SS**  trans-69.6119.7168.100000109.6E55 L59E55-A57 PolarHBondContact O-N 3.27Å; A57-L59 PolarHBondContact O-N 2.84Å
58F48.9Very low51.7Low147 Ų147100.7 Ų100.765%0.64559%0.585SS**  trans-69.2121.2176.1-68.8-96.6000109.9T56T56-F58 PolarHBondContact O-N 3.27Å
59L58.3Low54.2Low105 Ų10597.7 Ų97.755%0.5556%0.564SS.*EExtended strand (participates in β ladder)trans-107.4122.7173.1-90.3158.3000108.6A57 N131A57-L59 PolarHBondContact O-N 2.84Å; L59-N131 HydrophobicContact CD2-CB 4.12Å; L59-N131 WeakPolarHBondContact CD2-ND2 3.49Å
60E70.4Confident57Low70 Ų7092 Ų9233%0.32753%0.528SS..EExtended strand (participates in β ladder)trans-115.5111.5174.1-80.2165-144.600108.9K130 N131 Y132 T133E60-K130 WeakPolarHBondContact OE1-CE 3.04Å; E60-K130 IonicContact OE1-NZ 2.72Å; E60-K130 PolarHBondContact OE1-NZ 2.87Å; E60-K130 IonicContact OE2-NZ 3.17Å; E60-K130 PolarHBondContact OE2-NZ 2.92Å; E60-N131 PolarHBondContact N-O 2.8Å; E60-N131 VanDerWaalsContact N-O 3.14Å; E60-Y132 HydrophobicContact CB-CD1 3.71Å; E60-Y132 HydrophobicContact CB-CE1 3.97Å; E60-Y132 VanDerWaalsContact O-CA 3.23Å; E60-Y132 WeakPolarHBondContact O-CA 3.34Å; E60-Y132 VanDerWaalsContact OE2-CE1 3.29Å; E60-Y132 WeakPolarHBondContact OE2-CE1 3.5Å; E60-T133 PolarHBondContact O-N 3.16Å; E60-T133 VanDerWaalsContact O-N 3.16Å
61D74.1Confident59.8Low105 Ų10589 Ų8956%0.56151%0.509SS*.EExtended strand (participates in β ladder)trans-97.8128.8-177.7-78.97.5000110.9T133D61-T133 CarbonylContact C-O 3.55Å; D61-T133 WeakPolarHBondContact CA-O 3.31Å; D61-T133 WeakPolarHBondContact OD1-CB 3.1Å; D61-T133 PolarHBondContact OD1-OG1 3.45Å
62F75.4Confident62.6Low64 Ų6483.4 Ų83.428%0.28147%0.47SS..EExtended strand (participates in β ladder)trans-112.1134.9177.7-73.1-82.9000111.5L70 M72 Y132 T133 I134 R135F62-L70 HydrophobicContact CD1-CD1 3.91Å; F62-L70 HydrophobicContact CD2-CD1 4.32Å; F62-L70 HydrophobicContact CE1-CD1 4.03Å; F62-L70 HydrophobicContact CE2-CD1 4.41Å; F62-L70 HydrophobicContact CG-CD1 4.07Å; F62-L70 HydrophobicContact CZ-CD1 4.28Å; F62-M72 HydrophobicContact CE2-CG 4.22Å; F62-Y132 HydrophobicContact CD2-CD1 4.34Å; F62-Y132 AromaticContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CE1 4.19Å; F62-T133 PolarHBondContact N-O 2.86Å; F62-I134 HydrophobicContact CB-CG1 4.3Å; F62-I134 WeakPolarHBondContact O-CA 3.47Å; F62-R135 PolarHBondContact O-N 2.76Å
63I76.1Confident65.1Low115 Ų11579.6 Ų79.659%0.5945%0.45SS*.EExtended strand (participates in β ladder)trans-118.9125.4169.8-57.5174.6000107.4R135 T137I63-R135 WeakPolarHBondContact CA-O 3.45Å; I63-T137 HydrophobicContact CG2-CG2 4.21Å
64L76.4Confident67.5Low24 Ų2473.9 Ų73.913%0.12641%0.41CS..EExtended strand (participates in β ladder)trans-134.6154.8-171.3-64.1171.8000111.9D68 L70 V110 I134 R135 V136 T137L64-D68 HydrophobicContact CB-CB 4.42Å; L64-D68 HydrophobicContact CD2-CB 4.43Å; L64-L70 HydrophobicContact CD1-CB 3.8Å; L64-L70 HydrophobicContact CD1-CD1 4.19Å; L64-L70 HydrophobicContact CD1-CD2 4.01Å; L64-L70 HydrophobicContact CD1-CG 4.21Å; L64-V110 HydrophobicContact CD1-CG1 4.34Å; L64-V110 HydrophobicContact CD1-CG2 4.42Å; L64-I134 HydrophobicContact CD1-CG2 4.29Å; L64-R135 PolarHBondContact N-O 2.9Å; L64-V136 CarbonylContact O-C 3.26Å; L64-V136 VanDerWaalsContact O-CA 3.31Å; L64-V136 WeakPolarHBondContact O-CA 3.34Å; L64-T137 PolarHBondContact O-N 3.16Å
65G76.4Confident69.1Low8 Ų874.5 Ų74.58%0.08241%0.406CS..EExtended strand (participates in β ladder)trans-78.3161.7167.700000112.8G67 D68 T137G65-G67 PolarHBondContact O-N 2.94Å; G65-D68 WeakPolarHBondContact CA-OD2 3.29Å; G65-D68 PolarHBondContact N-OD2 3.03Å; G65-T137 WeakPolarHBondContact CA-O 3.01Å
66M73.1Confident70.7Confident102 Ų10272 Ų7250%0.50239%0.388SS..THydrogen-bonded Turntrans-67.9127.3165.7-76.2-156.4-63.700110.5Y112 V136 D138M66-Y112 HydrophobicContact CE-CE2 3.9Å; M66-Y112 HydrophobicContact CG-CD2 4.28Å; M66-Y112 HydrophobicContact CG-CE2 3.99Å; M66-Y112 HydrophobicContact SD-CD2 3.5Å; M66-Y112 WeakPolarHBondContact SD-CD2 3.38Å; M66-Y112 HydrophobicContact SD-CE2 3.34Å; M66-Y112 WeakPolarHBondContact SD-CE2 3.32Å; M66-V136 HydrophobicContact CG-CG1 3.82Å; M66-D138 WeakPolarHBondContact CE-OD1 3.26Å
67G73.9Confident71.7Confident39 Ų3976.2 Ų76.240%0.40240%0.4SS..THydrogen-bonded Turntrans106.5-17.9-178.800000114.7G65 N109 V110G65-G67 PolarHBondContact O-N 2.94Å; G67-N109 WeakPolarHBondContact CA-OD1 3.38Å; G67-V110 PolarHBondContact N-O 2.71Å
68D76.4Confident72.4Confident63 Ų6379.2 Ų79.234%0.33741%0.405SS..  trans-62.4163.1-177.2-67.6-9.3000112.7L64 G65 N109 V110L64-D68 HydrophobicContact CB-CB 4.42Å; L64-D68 HydrophobicContact CD2-CB 4.43Å; G65-D68 WeakPolarHBondContact CA-OD2 3.29Å; G65-D68 PolarHBondContact N-OD2 3.03Å; D68-N109 WeakPolarHBondContact O-CA 3.25Å; D68-N109 PolarHBondContact O-N 2.03Å; D68-V110 WeakPolarHBondContact O-CB 3.19Å; D68-V110 WeakPolarHBondContact O-CG2 3.41Å; D68-V110 PolarHBondContact O-N 2.86Å
69T82.9Confident72.7Confident66 Ų6674.4 Ų74.441%0.40539%0.39SS..  trans-115.4112.1172.6-64.70000110.1R106 I107 I108T69-R106 HydrophobicContact CG2-CG 4.03Å; T69-I107 CarbonylContact C-O 3.59Å; T69-I107 WeakPolarHBondContact CA-O 3.46Å; T69-I108 HydrophobicContact CG2-CB 4.46Å; T69-I108 HydrophobicContact CG2-CG1 4.03Å
70L84.6Confident72.7Confident8 Ų875.5 Ų75.54%0.04241%0.407CS..EExtended strand (participates in β ladder)trans-90.9136.7177.1178.160.8000110.9F62 L64 M72 R106 I107 V110 I134F62-L70 HydrophobicContact CD1-CD1 3.91Å; F62-L70 HydrophobicContact CD2-CD1 4.32Å; F62-L70 HydrophobicContact CE1-CD1 4.03Å; F62-L70 HydrophobicContact CE2-CD1 4.41Å; F62-L70 HydrophobicContact CG-CD1 4.07Å; F62-L70 HydrophobicContact CZ-CD1 4.28Å; L64-L70 HydrophobicContact CD1-CB 3.8Å; L64-L70 HydrophobicContact CD1-CD1 4.19Å; L64-L70 HydrophobicContact CD1-CD2 4.01Å; L64-L70 HydrophobicContact CD1-CG 4.21Å; L70-M72 HydrophobicContact CD1-CG 4.2Å; L70-M72 HydrophobicContact CD2-CE 3.82Å; L70-M72 HydrophobicContact CD2-CG 4.13Å; L70-M72 HydrophobicContact CD2-SD 4.09Å; L70-M72 HydrophobicContact CG-CE 4.41Å; L70-M72 HydrophobicContact CG-CG 4.1Å; L70-R106 CarbonylContact O-C 3.45Å; L70-R106 VanDerWaalsContact O-CA 3.26Å; L70-R106 WeakPolarHBondContact O-CA 3.29Å; L70-I107 PolarHBondContact N-O 2.97Å; L70-I107 PolarHBondContact O-N 3.4Å; L70-V110 HydrophobicContact CB-CG2 4.19Å; L70-I134 HydrophobicContact CD2-CD1 3.2Å; L70-I134 HydrophobicContact CD2-CG1 3.76Å
71E85.9Confident72.6Confident94 Ų9475.8 Ų75.844%0.43941%0.408SS..EExtended strand (participates in β ladder)trans-129.3116.8167.8-168.9161.2164.600110.7L105 R106E71-L105 WeakPolarHBondContact CA-O 3.49Å; E71-R106 HydrophobicContact CB-CB 4.45Å; E71-R106 HydrophobicContact CB-CG 4.17Å; E71-R106 HydrophobicContact CG-CB 4.18Å; E71-R106 HydrophobicContact CG-CG 4.3Å; E71-R106 VanDerWaalsContact OE2-CD 3.25Å; E71-R106 WeakPolarHBondContact OE2-CD 3.26Å; E71-R106 IonicContact OE2-CZ 3.41Å; E71-R106 IonicContact OE2-NE 3.53Å; E71-R106 IonicContact OE2-NH1 2.74Å; E71-R106 PolarHBondContact OE2-NH1 3.26Å
72M85.4Confident72.4Confident2 Ų273.7 Ų73.71%0.0140%0.4CS..EExtended strand (participates in β ladder)trans-105136177.8-67.5174.1-78.600109.9F62 L70 W85 T104 L105 Y118 Y132 I134F62-M72 HydrophobicContact CE2-CG 4.22Å; L70-M72 HydrophobicContact CD1-CG 4.2Å; L70-M72 HydrophobicContact CD2-CE 3.82Å; L70-M72 HydrophobicContact CD2-CG 4.13Å; L70-M72 HydrophobicContact CD2-SD 4.09Å; L70-M72 HydrophobicContact CG-CE 4.41Å; L70-M72 HydrophobicContact CG-CG 4.1Å; M72-W85 HydrophobicContact CB-CH2 3.8Å; M72-W85 HydrophobicContact CB-CZ3 4.03Å; M72-T104 CarbonylContact O-C 3.45Å; M72-T104 VanDerWaalsContact O-CA 3.25Å; M72-T104 WeakPolarHBondContact O-CA 3.44Å; M72-L105 HydrophobicContact CE-CB 4.5Å; M72-L105 HydrophobicContact CE-CD2 3.68Å; M72-L105 HydrophobicContact CE-CG 4.05Å; M72-L105 PolarHBondContact N-O 2.85Å; M72-L105 PolarHBondContact O-N 2.94Å; M72-Y118 HydrophobicContact CE-CD1 3.94Å; M72-Y118 HydrophobicContact CE-CG 4.07Å; M72-Y132 HydrophobicContact CB-CE1 4.39Å; M72-Y132 HydrophobicContact CB-CE2 4.3Å; M72-Y132 HydrophobicContact CG-CD1 4.27Å; M72-Y132 HydrophobicContact CG-CE1 4.32Å; M72-Y132 HydrophobicContact CG-CG 4.35Å; M72-Y132 HydrophobicContact SD-CD1 4.06Å; M72-Y132 HydrophobicContact SD-CD2 3.78Å; M72-Y132 HydrophobicContact SD-CE2 4.36Å; M72-Y132 HydrophobicContact SD-CG 3.6Å; M72-Y132 VanDerWaalsContact SD-CG 3.6Å; M72-I134 HydrophobicContact CE-CD1 3.87Å; M72-I134 HydrophobicContact SD-CD1 4.08Å
73S82.1Confident72.7Confident59 Ų5971.4 Ų71.441%0.41339%0.391SS..EExtended strand (participates in β ladder)trans-120.2126.8-179.667.60000112.8Y132S73-Y132 PolarHBondContact O-OH 2.67Å
74C78Confident73.1Confident1 Ų168.7 Ų68.71%0.00738%0.379CS..  trans-109.688.9-179.1-167.90000109.2I83 W85 R103 C120 L129C74-I83 HydrophobicContact CB-CD1 4.21Å; C74-I83 HydrophobicContact CB-CG2 4.43Å; C74-I83 VanDerWaalsContact O-CD1 3.23Å; C74-I83 WeakPolarHBondContact O-CD1 3.45Å; C74-W85 HydrophobicContact CB-CH2 3.79Å; C74-W85 HydrophobicContact CB-CZ2 3.51Å; C74-R103 PolarHBondContact N-O 2.84Å; C74-C120 HydrophobicContact CB-CB 3.54Å; C74-C120 WeakPolarHBondContact CB-SG 3.32Å; C74-C120 WeakPolarHBondContact SG-CB 3.38Å; C74-C120 CovalentContact SG-SG 2.03Å; C74-C120 PolarHBondContact SG-SG 3.37Å; C74-L129 VanDerWaalsContact SG-CB 3.55Å
75N67.9Low73.6Confident109 Ų10967.6 Ų67.658%0.58337%0.373SS*.  trans-109.4137.9178.4-85.7-32.1000111.5R103N75-R103 PolarHBondContact OD1-NE 2.79Å
76R63.4Low73.9Confident149 Ų14969.3 Ų69.356%0.56238%0.378SS*.  trans-126.4136.1164.7178.3-179.3166.61153.9107D78 R103R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact NE-O 3.46Å; R76-D78 PolarHBondContact O-N 3.2Å; R76-R103 PolarHBondContact O-NH2 2.88Å
77E55.6Low74.6Confident197 Ų19766.1 Ų66.192%0.92136%0.362SS*.SBendtrans-68.1-25.5-169.7-68-177.5137.900113.8
78D55.4Low75Confident136 Ų13668.2 Ų68.273%0.72736%0.364SS*.SBendtrans-132.3110.7171.8-82.8-54.9000112.1R76R76-D78 VanDerWaalsContact C-N 3.3Å; R76-D78 PolarHBondContact NE-O 3.46Å; R76-D78 PolarHBondContact O-N 3.2Å
79S54.5Low75.1Confident46 Ų4669.6 Ų69.632%0.32238%0.378SS..  trans162.9145.5148.944.70000112.2R103S79-R103 PolarHBondContact O-NH1 2.77Å
80S59.1Low75Confident129 Ų12972.4 Ų72.490%0.90239%0.39SS*.  trans-94.417.9-179.9-45.90000113.9
81E67.4Low74.9Confident76 Ų7674.1 Ų74.136%0.35541%0.409SS..PPolyproline II helixtrans-81.7146.6-176.3-74.4-166.4-147.400113.2L122 H124E81-L122 HydrophobicContact CB-CD2 3.93Å; E81-H124 IonicContact OE2-ND1 3.55Å
82P70.5Confident74.7Confident60 Ų6071.8 Ų71.839%0.3940%0.399SS..PPolyproline II helixtrans-72.7138.5176.928.4-32.2000112A123P82-A123 HydrophobicContact CB-CB 4.46Å; P82-A123 HydrophobicContact CG-CB 3.95Å; P82-A123 VanDerWaalsContact O-CB 3.29Å; P82-A123 WeakPolarHBondContact O-CB 3.49Å; P82-A123 PolarHBondContact O-N 2.89Å
83I82.4Confident74.4Confident17 Ų1776.3 Ų76.39%0.08743%0.432CS..EExtended strand (participates in β ladder)trans-101.6141.7178.8-57.1173.9000109.4C74 Q102 R103 C120 R121 L122 L129C74-I83 HydrophobicContact CB-CD1 4.21Å; C74-I83 HydrophobicContact CB-CG2 4.43Å; C74-I83 VanDerWaalsContact O-CD1 3.23Å; C74-I83 WeakPolarHBondContact O-CD1 3.45Å; I83-Q102 WeakPolarHBondContact CB-O 3.17Å; I83-R103 HydrophobicContact CD1-CG 4.34Å; I83-C120 HydrophobicContact CG2-CB 3.77Å; I83-R121 WeakPolarHBondContact CA-O 3.41Å; I83-L122 HydrophobicContact CG1-CD2 4.32Å; I83-L129 HydrophobicContact CD1-CD1 3.92Å; I83-L129 HydrophobicContact CG1-CD1 3.99Å; I83-L129 HydrophobicContact CG2-CD1 4.3Å
84V83.5Confident74.2Confident57 Ų5777 Ų7735%0.34544%0.437SS..EExtended strand (participates in β ladder)trans-117.5139.2175-172.70000109.1F86 R121 A123V84-F86 HydrophobicContact CB-CE2 3.97Å; V84-F86 HydrophobicContact CG1-CD2 4.42Å; V84-F86 HydrophobicContact CG1-CE2 3.71Å; V84-F86 HydrophobicContact CG1-CZ 3.92Å; V84-R121 PolarHBondContact N-O 3.18Å; V84-R121 PolarHBondContact O-N 2.94Å; V84-A123 HydrophobicContact CG2-CB 3.72Å
85W87.7Confident74.2Confident1 Ų179 Ų790%0.00446%0.457CS..EExtended strand (participates in β ladder)trans-105.3140.7-179.5-69.388.2000111.6M72 C74 L92 V100 L105 T119 C120 Y132M72-W85 HydrophobicContact CB-CH2 3.8Å; M72-W85 HydrophobicContact CB-CZ3 4.03Å; C74-W85 HydrophobicContact CB-CH2 3.79Å; C74-W85 HydrophobicContact CB-CZ2 3.51Å; W85-L92 HydrophobicContact CB-CB 4.45Å; W85-L92 HydrophobicContact CB-CD1 4.25Å; W85-L92 PolarHBondContact O-N 2.8Å; W85-V100 HydrophobicContact CB-CG1 4.13Å; W85-V100 HydrophobicContact CG-CG1 4.16Å; W85-L105 HydrophobicContact CB-CD2 4.16Å; W85-L105 HydrophobicContact CD2-CB 3.62Å; W85-L105 HydrophobicContact CD2-CD2 3.88Å; W85-L105 HydrophobicContact CD2-CG 4.35Å; W85-L105 HydrophobicContact CE3-CB 3.82Å; W85-L105 HydrophobicContact CE3-CD2 3.56Å; W85-L105 HydrophobicContact CE3-CG 4.34Å; W85-L105 HydrophobicContact CG-CB 4.12Å; W85-L105 HydrophobicContact CG-CD2 4.16Å; W85-L105 HydrophobicContact CH2-CB 4.07Å; W85-L105 HydrophobicContact CZ2-CB 3.89Å; W85-L105 HydrophobicContact CZ3-CB 4.03Å; W85-L105 HydrophobicContact CZ3-CD2 4.19Å; W85-T119 WeakPolarHBondContact CA-O 3.41Å; W85-C120 HydrophobicContact CD2-CB 3.84Å; W85-C120 HydrophobicContact CE3-CB 3.74Å; W85-C120 HydrophobicContact CH2-CB 3.93Å; W85-C120 HydrophobicContact CZ2-CB 4Å; W85-C120 HydrophobicContact CZ3-CB 3.8Å; W85-Y132 AromaticContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CZ3-CD2 4.02Å; W85-Y132 AromaticContact CZ3-CE2 3.62Å; W85-Y132 HydrophobicContact CZ3-CE2 3.62Å
86F83.1Confident74.5Confident44 Ų4482 Ų8219%0.19347%0.473CS..EExtended strand (participates in β ladder)trans-130.2143.1178-61.8-100.5000110.2V84 I90 Y118 T119 R121V84-F86 HydrophobicContact CB-CE2 3.97Å; V84-F86 HydrophobicContact CG1-CD2 4.42Å; V84-F86 HydrophobicContact CG1-CE2 3.71Å; V84-F86 HydrophobicContact CG1-CZ 3.92Å; F86-I90 CarbonylContact C-O 3.56Å; F86-I90 WeakPolarHBondContact CA-O 2.99Å; F86-Y118 CarbonylContact O-C 3.47Å; F86-Y118 VanDerWaalsContact O-CA 3.29Å; F86-Y118 WeakPolarHBondContact O-CA 3.46Å; F86-T119 PolarHBondContact N-O 3.34Å; F86-T119 PolarHBondContact O-N 3.28Å; F86-R121 HydrophobicContact CD2-CG 4.14Å; F86-R121 HydrophobicContact CE2-CB 4.27Å; F86-R121 HydrophobicContact CE2-CG 4.26Å
87K86.5Confident75.4Confident36 Ų3679 Ų7916%0.15746%0.462CS..EExtended strand (participates in β ladder)trans-111.9125.6165.3-179.3-169-171.8-173.80108.6S89 I90 L92 E113 S115 V117 Y118K87-S89 PolarHBondContact O-N 2.91Å; K87-S89 VanDerWaalsContact O-N 3.08Å; K87-I90 PolarHBondContact N-O 2.91Å; K87-I90 WeakPolarHBondContact O-CA 3.3Å; K87-I90 WeakPolarHBondContact O-CB 3Å; K87-I90 PolarHBondContact O-N 3.38Å; K87-L92 HydrophobicContact CB-CD1 4.07Å; K87-L92 HydrophobicContact CB-CD2 3.82Å; K87-L92 HydrophobicContact CB-CG 4.08Å; K87-E113 PolarHBondContact NZ-O 2.8Å; K87-S115 WeakPolarHBondContact CE-O 3.5Å; K87-S115 PolarHBondContact NZ-O 2.81Å; K87-V117 CarbonylContact C-O 3.57Å; K87-Y118 HydrophobicContact CB-CD1 4Å; K87-Y118 HydrophobicContact CB-CE1 3.79Å; K87-Y118 HydrophobicContact CB-CE2 4.36Å; K87-Y118 HydrophobicContact CB-CG 4.42Å; K87-Y118 HydrophobicContact CD-CE1 4.1Å; K87-Y118 HydrophobicContact CD-CE2 3.86Å; K87-Y118 VanDerWaalsContact CD-OH 3.31Å; K87-Y118 WeakPolarHBondContact CD-OH 3.34Å; K87-Y118 WeakPolarHBondContact CE-OH 3.31Å; K87-Y118 HydrophobicContact CG-CD1 4.29Å; K87-Y118 HydrophobicContact CG-CD2 4.07Å; K87-Y118 HydrophobicContact CG-CE1 3.89Å; K87-Y118 HydrophobicContact CG-CE2 3.62Å; K87-Y118 HydrophobicContact CG-CG 4.4Å
88D82.7Confident76.7Confident82 Ų8270.7 Ų70.744%0.43943%0.425SS..THydrogen-bonded Turntrans50.237.6178.3-55.6-48.1000112.3I90 V117D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.87Å; D88-V117 PolarHBondContact N-O 2.91Å; D88-V117 PolarHBondContact OD1-N 3.24Å
89S77.9Confident78Confident92 Ų9271.9 Ų71.964%0.64342%0.419SS*.THydrogen-bonded Turntrans705.9-173.1-46.80000117.3K87K87-S89 PolarHBondContact O-N 2.91Å; K87-S89 VanDerWaalsContact O-N 3.08Å
90I81Confident79.3Confident126 Ų12671.5 Ų71.565%0.64642%0.415SS*.EExtended strand (participates in β ladder)trans-95.3130.2173.8-56.6172.9000109.7F86 K87 D88F86-I90 CarbonylContact C-O 3.56Å; F86-I90 WeakPolarHBondContact CA-O 2.99Å; K87-I90 PolarHBondContact N-O 2.91Å; K87-I90 WeakPolarHBondContact O-CA 3.3Å; K87-I90 WeakPolarHBondContact O-CB 3Å; K87-I90 PolarHBondContact O-N 3.38Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 2.87Å
91G82.1Confident80.1Confident44 Ų4466.8 Ų66.845%0.45439%0.386SS..EExtended strand (participates in β ladder)trans-66.4131.8-179.300000112.6
92L83.3Confident80.3Confident44 Ų4470.6 Ų70.623%0.2340%0.404CS..PPolyproline II helixtrans-91.4133.9-178.5-68.4172000111.9W85 K87 V100 L105 Y118W85-L92 HydrophobicContact CB-CB 4.45Å; W85-L92 HydrophobicContact CB-CD1 4.25Å; W85-L92 PolarHBondContact O-N 2.8Å; K87-L92 HydrophobicContact CB-CD1 4.07Å; K87-L92 HydrophobicContact CB-CD2 3.82Å; K87-L92 HydrophobicContact CB-CG 4.08Å; L92-V100 HydrophobicContact CB-CG2 4.09Å; L92-L105 HydrophobicContact CD1-CD1 4.38Å; L92-L105 HydrophobicContact CD1-CD2 3.58Å; L92-Y118 HydrophobicContact CD1-CD1 3.7Å; L92-Y118 HydrophobicContact CD1-CE1 3.71Å
93S77.8Confident80.5Confident98 Ų9871.7 Ų71.769%0.68540%0.401SS*.  trans-112.6147.4170.658.30000111
94S78.6Confident80.6Confident74 Ų7473.4 Ų73.452%0.51741%0.412SS..  trans-61.1136.2173.4-67.30000111.9T98 V100S94-T98 CarbonylContact C-O 3.44Å; S94-T98 WeakPolarHBondContact CA-O 3.25Å; S94-V100 PolarHBondContact OG-N 3.19Å; S94-V100 PolarHBondContact OG-O 3.41Å
95G78.1Confident80.7Confident43 Ų4370.7 Ų70.744%0.44340%0.395SS..  trans-148.5-162178.600000111.5R97 T98G95-R97 PolarHBondContact O-N 2.92Å; G95-T98 PolarHBondContact N-O 3.36Å
96N74.3Confident80.6Confident172 Ų17275.7 Ų75.792%0.9242%0.415SS*.SBendtrans-67.1-37.3-171.1-67.7-7.1000114
97R81.4Confident80.8Confident85 Ų8573.7 Ų73.732%0.32141%0.406SS..SBendtrans-98.6-31.8177.4-63.9-164-59.21084.5113.5G95 I108 N109 D114G95-R97 PolarHBondContact O-N 2.92Å; R97-I108 WeakPolarHBondContact CB-O 3.23Å; R97-I108 PolarHBondContact O-N 2.8Å; R97-N109 PolarHBondContact NH1-O 2.9Å; R97-D114 IonicContact CZ-OD1 3.32Å; R97-D114 IonicContact CZ-OD2 2.71Å; R97-D114 IonicContact NH1-OD1 2.8Å; R97-D114 IonicContact NH1-OD2 3.02Å; R97-D114 PolarHBondContact NH1-OD2 3.45Å; R97-D114 IonicContact NH2-OD1 2.67Å; R97-D114 PolarHBondContact NH2-OD1 2.96Å; R97-D114 IonicContact NH2-OD2 3.74Å; R97-D114 PolarHBondContact NH2-OD2 3.44Å; R97-D114 VanDerWaalsContact NH2-OD2 3.17Å
98T82.9Confident80.6Confident23 Ų2374.6 Ų74.614%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-106.7121.1-173.2-53.60000111S94 G95 V100 L105 R106 I107S94-T98 CarbonylContact C-O 3.44Å; S94-T98 WeakPolarHBondContact CA-O 3.25Å; G95-T98 PolarHBondContact N-O 3.36Å; T98-V100 HydrophobicContact CG2-CG2 4.23Å; T98-L105 HydrophobicContact CG2-CD1 3.66Å; T98-R106 CarbonylContact C-O 3.5Å; T98-R106 WeakPolarHBondContact CA-O 3.39Å; T98-I107 HydrophobicContact CG2-CG1 4.13Å
99R82.4Confident80.5Confident160 Ų16075.3 Ų75.360%0.60442%0.415SS*.EExtended strand (participates in β ladder)trans-110.6110.8175.1-61.9-173.7-179.9-158.81109.6R106R99-R106 PolarHBondContact N-O 2.78Å; R99-R106 PolarHBondContact O-N 3.17Å
100V83.3Confident80.7Confident38 Ų3871 Ų7123%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-94.8113.7177.1-166.10000108.6W85 L92 S94 T98 L105W85-V100 HydrophobicContact CB-CG1 4.13Å; W85-V100 HydrophobicContact CG-CG1 4.16Å; L92-V100 HydrophobicContact CB-CG2 4.09Å; S94-V100 PolarHBondContact OG-N 3.19Å; S94-V100 PolarHBondContact OG-O 3.41Å; T98-V100 HydrophobicContact CG2-CG2 4.23Å; V100-L105 HydrophobicContact CB-CD1 4.34Å; V100-L105 HydrophobicContact CG1-CD1 4.49Å; V100-L105 HydrophobicContact CG2-CD1 3.82Å
101G75.4Confident80.7Confident30 Ų3066.4 Ų66.431%0.30936%0.364SS..  trans-104.9171.5173.600000112.3R103 T104G101-R103 PolarHBondContact O-N 3.08Å; G101-T104 CarbonylContact C-O 3.55Å; G101-T104 VanDerWaalsContact CA-O 3.31Å; G101-T104 WeakPolarHBondContact CA-O 3.21Å; G101-T104 PolarHBondContact N-O 2.84Å
102Q72.1Confident80.6Confident157 Ų15769.3 Ų69.373%0.73436%0.362SS*.SBendtrans-64-21.5-177.5-75.2-173.6-16.900114.6I83I83-Q102 WeakPolarHBondContact CB-O 3.17Å
103R74.9Confident80.4Confident82 Ų8274.8 Ų74.831%0.30939%0.387SS..SBendtrans-139.9-4.4179.3-56-178.683.299.1-13.8113.6C74 N75 R76 S79 I83 G101C74-R103 PolarHBondContact N-O 2.84Å; N75-R103 PolarHBondContact OD1-NE 2.79Å; R76-R103 PolarHBondContact O-NH2 2.88Å; S79-R103 PolarHBondContact O-NH1 2.77Å; I83-R103 HydrophobicContact CD1-CG 4.34Å; G101-R103 PolarHBondContact O-N 3.08Å
104T83.4Confident80.7Confident53 Ų5370.7 Ų70.733%0.32536%0.357SS..EExtended strand (participates in β ladder)trans-133.8150-179.755.20000111.2M72 G101M72-T104 CarbonylContact O-C 3.45Å; M72-T104 VanDerWaalsContact O-CA 3.25Å; M72-T104 WeakPolarHBondContact O-CA 3.44Å; G101-T104 CarbonylContact C-O 3.55Å; G101-T104 VanDerWaalsContact CA-O 3.31Å; G101-T104 WeakPolarHBondContact CA-O 3.21Å; G101-T104 PolarHBondContact N-O 2.84Å
105L86Confident81Confident0 Ų068.9 Ų68.90%035%0.345CS..EExtended strand (participates in β ladder)trans-127.6119173.6172.460.5000108.4E71 M72 W85 L92 T98 V100 Y118E71-L105 WeakPolarHBondContact CA-O 3.49Å; M72-L105 HydrophobicContact CE-CB 4.5Å; M72-L105 HydrophobicContact CE-CD2 3.68Å; M72-L105 HydrophobicContact CE-CG 4.05Å; M72-L105 PolarHBondContact N-O 2.85Å; M72-L105 PolarHBondContact O-N 2.94Å; W85-L105 HydrophobicContact CB-CD2 4.16Å; W85-L105 HydrophobicContact CD2-CB 3.62Å; W85-L105 HydrophobicContact CD2-CD2 3.88Å; W85-L105 HydrophobicContact CD2-CG 4.35Å; W85-L105 HydrophobicContact CE3-CB 3.82Å; W85-L105 HydrophobicContact CE3-CD2 3.56Å; W85-L105 HydrophobicContact CE3-CG 4.34Å; W85-L105 HydrophobicContact CG-CB 4.12Å; W85-L105 HydrophobicContact CG-CD2 4.16Å; W85-L105 HydrophobicContact CH2-CB 4.07Å; W85-L105 HydrophobicContact CZ2-CB 3.89Å; W85-L105 HydrophobicContact CZ3-CB 4.03Å; W85-L105 HydrophobicContact CZ3-CD2 4.19Å; L92-L105 HydrophobicContact CD1-CD1 4.38Å; L92-L105 HydrophobicContact CD1-CD2 3.58Å; T98-L105 HydrophobicContact CG2-CD1 3.66Å; V100-L105 HydrophobicContact CB-CD1 4.34Å; V100-L105 HydrophobicContact CG1-CD1 4.49Å; V100-L105 HydrophobicContact CG2-CD1 3.82Å; L105-Y118 HydrophobicContact CD2-CD1 3.72Å; L105-Y118 HydrophobicContact CD2-CE1 4.2Å
106R86.3Confident81.3Confident107 Ų10767.6 Ų67.640%0.40433%0.331SS..EExtended strand (participates in β ladder)trans-115.9128.6-179.9-168.3179.1-176.6139.5-7.4111.1T69 L70 E71 T98 R99 I108T69-R106 HydrophobicContact CG2-CG 4.03Å; L70-R106 CarbonylContact O-C 3.45Å; L70-R106 VanDerWaalsContact O-CA 3.26Å; L70-R106 WeakPolarHBondContact O-CA 3.29Å; E71-R106 HydrophobicContact CB-CB 4.45Å; E71-R106 HydrophobicContact CB-CG 4.17Å; E71-R106 HydrophobicContact CG-CB 4.18Å; E71-R106 HydrophobicContact CG-CG 4.3Å; E71-R106 VanDerWaalsContact OE2-CD 3.25Å; E71-R106 WeakPolarHBondContact OE2-CD 3.26Å; E71-R106 IonicContact OE2-CZ 3.41Å; E71-R106 IonicContact OE2-NE 3.53Å; E71-R106 IonicContact OE2-NH1 2.74Å; E71-R106 PolarHBondContact OE2-NH1 3.26Å; T98-R106 CarbonylContact C-O 3.5Å; T98-R106 WeakPolarHBondContact CA-O 3.39Å; R99-R106 PolarHBondContact N-O 2.78Å; R99-R106 PolarHBondContact O-N 3.17Å; R106-I108 HydrophobicContact CG-CG1 4.33Å
107I87.5Confident81.8Confident1 Ų162 Ų621%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-117.3118.6175.3-55.7174.5000107.4T69 L70 T98 V110 Y118T69-I107 CarbonylContact C-O 3.59Å; T69-I107 WeakPolarHBondContact CA-O 3.46Å; L70-I107 PolarHBondContact N-O 2.97Å; L70-I107 PolarHBondContact O-N 3.4Å; T98-I107 HydrophobicContact CG2-CG1 4.13Å; I107-V110 HydrophobicContact CB-CG2 4.17Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; I107-Y118 HydrophobicContact CD1-CE1 3.68Å
108I81.6Confident82.2Confident56 Ų5658.2 Ų58.229%0.28729%0.289SS..SBendtrans-102.1133.2-176.4-54169.6000108.6T69 R97 R106T69-I108 HydrophobicContact CG2-CB 4.46Å; T69-I108 HydrophobicContact CG2-CG1 4.03Å; R97-I108 WeakPolarHBondContact CB-O 3.23Å; R97-I108 PolarHBondContact O-N 2.8Å; R106-I108 HydrophobicContact CG-CG1 4.33Å
109N79.4Confident82.4Confident96 Ų9657.6 Ų57.651%0.51329%0.285SS..SBendtrans57.970.7-175.8-171.2-2.4000110.6G67 D68 R97G67-N109 WeakPolarHBondContact CA-OD1 3.38Å; D68-N109 WeakPolarHBondContact O-CA 3.25Å; D68-N109 PolarHBondContact O-N 2.03Å; R97-N109 PolarHBondContact NH1-O 2.9Å
110V82.8Confident82.6Confident2 Ų250 Ų501%0.01226%0.256CS..  trans-66.4134.3-179.4167.80000110.3L64 G67 D68 L70 I107 D114 V136L64-V110 HydrophobicContact CD1-CG1 4.34Å; L64-V110 HydrophobicContact CD1-CG2 4.42Å; G67-V110 PolarHBondContact N-O 2.71Å; D68-V110 WeakPolarHBondContact O-CB 3.19Å; D68-V110 WeakPolarHBondContact O-CG2 3.41Å; D68-V110 PolarHBondContact O-N 2.86Å; L70-V110 HydrophobicContact CB-CG2 4.19Å; I107-V110 HydrophobicContact CB-CG2 4.17Å; I107-V110 HydrophobicContact CG2-CG2 3.85Å; V110-D114 HydrophobicContact CG1-CB 4.32Å; V110-V136 HydrophobicContact CG1-CG1 4.43Å; V110-V136 HydrophobicContact CG1-CG2 3.43Å; V110-V136 VanDerWaalsContact CG1-CG2 3.43Å
111S81.6Confident82.7Confident29 Ų2951 Ų5120%0.20326%0.256CS..  trans-124.6167.7-178.169.80000110.9E113 D114S111-E113 PolarHBondContact O-N 2.72Å; S111-E113 VanDerWaalsContact O-N 3.13Å; S111-D114 WeakPolarHBondContact CB-OD2 3.03Å; S111-D114 PolarHBondContact N-OD2 3.19Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 2.82Å; S111-D114 PolarHBondContact OG-OD2 2.8Å
112Y80.1Confident83Confident106 Ų10650.4 Ų50.442%0.41625%0.246SC..G310 helixtrans-51.1-37.5175.1-79.9-63.9000114M66 D114 S115 V136 D138M66-Y112 HydrophobicContact CE-CE2 3.9Å; M66-Y112 HydrophobicContact CG-CD2 4.28Å; M66-Y112 HydrophobicContact CG-CE2 3.99Å; M66-Y112 HydrophobicContact SD-CD2 3.5Å; M66-Y112 WeakPolarHBondContact SD-CD2 3.38Å; M66-Y112 HydrophobicContact SD-CE2 3.34Å; M66-Y112 WeakPolarHBondContact SD-CE2 3.32Å; Y112-D114 PolarHBondContact O-N 2.89Å; Y112-S115 WeakPolarHBondContact O-CB 3.16Å; Y112-S115 PolarHBondContact O-N 2.85Å; Y112-S115 VanDerWaalsContact O-N 3.14Å; Y112-S115 PolarHBondContact O-OG 2.61Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å; Y112-V136 HydrophobicContact CD1-CB 4.22Å; Y112-V136 HydrophobicContact CD1-CG1 4.4Å; Y112-V136 HydrophobicContact CE1-CB 4.45Å; Y112-V136 HydrophobicContact CE1-CG1 4.44Å; Y112-V136 WeakPolarHBondContact CE1-O 3.31Å; Y112-D138 PolarHBondContact OH-OD1 3.02Å; Y112-D138 VanDerWaalsContact OH-OD1 3.06Å; Y112-D138 PolarHBondContact OH-OD2 3.17Å
113E79.5Confident83.1Confident158 Ų15845.1 Ų45.174%0.73823%0.229SC*.G310 helixtrans-62.8-20.5177.8-61.3-175.1174.100113.3K87 S111K87-E113 PolarHBondContact NZ-O 2.8Å; S111-E113 PolarHBondContact O-N 2.72Å; S111-E113 VanDerWaalsContact O-N 3.13Å
114D82.3Confident83.1Confident12 Ų1248 Ų486%0.06425%0.246CC..G310 helixtrans-86.7-6.1179.6-54.1-64.2000112.8R97 V110 S111 Y112 Y118R97-D114 IonicContact CZ-OD1 3.32Å; R97-D114 IonicContact CZ-OD2 2.71Å; R97-D114 IonicContact NH1-OD1 2.8Å; R97-D114 IonicContact NH1-OD2 3.02Å; R97-D114 PolarHBondContact NH1-OD2 3.45Å; R97-D114 IonicContact NH2-OD1 2.67Å; R97-D114 PolarHBondContact NH2-OD1 2.96Å; R97-D114 IonicContact NH2-OD2 3.74Å; R97-D114 PolarHBondContact NH2-OD2 3.44Å; R97-D114 VanDerWaalsContact NH2-OD2 3.17Å; V110-D114 HydrophobicContact CG1-CB 4.32Å; S111-D114 WeakPolarHBondContact CB-OD2 3.03Å; S111-D114 PolarHBondContact N-OD2 3.19Å; S111-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 PolarHBondContact O-N 2.82Å; S111-D114 PolarHBondContact OG-OD2 2.8Å; Y112-D114 PolarHBondContact O-N 2.89Å; D114-Y118 WeakPolarHBondContact O-CE2 3.41Å; D114-Y118 PolarHBondContact O-OH 3.14Å
115S85.1Confident82.6Confident37 Ų3749.3 Ų49.326%0.25925%0.254SS..  trans-60.9145.3168.3-550000110.7K87 Y112 I134 V136K87-S115 WeakPolarHBondContact CE-O 3.5Å; K87-S115 PolarHBondContact NZ-O 2.81Å; Y112-S115 WeakPolarHBondContact O-CB 3.16Å; Y112-S115 PolarHBondContact O-N 2.85Å; Y112-S115 VanDerWaalsContact O-N 3.14Å; Y112-S115 PolarHBondContact O-OG 2.61Å; Y112-S115 VanDerWaalsContact O-OG 3.11Å; S115-I134 WeakPolarHBondContact CA-O 3.34Å; S115-V136 PolarHBondContact OG-N 2.81Å
116G84.3Confident82Confident16 Ų1653.6 Ų53.617%0.16528%0.276CS..EExtended strand (participates in β ladder)trans148.7-173.5-177.400000113.4I134G116-I134 PolarHBondContact N-O 3.37Å; G116-I134 VanDerWaalsContact N-O 3.13Å; G116-I134 PolarHBondContact O-N 3.06Å
117V86.6Confident81.6Confident55 Ų5551.7 Ų51.733%0.33328%0.277SS..EExtended strand (participates in β ladder)trans-105117.1-177.9-177.50000110K87 D88 N131 Y132 T133K87-V117 CarbonylContact C-O 3.57Å; D88-V117 PolarHBondContact N-O 2.91Å; D88-V117 PolarHBondContact OD1-N 3.24Å; V117-N131 WeakPolarHBondContact CG1-OD1 3.46Å; V117-Y132 CarbonylContact C-O 3.47Å; V117-Y132 WeakPolarHBondContact CA-O 3.34Å; V117-T133 HydrophobicContact CG2-CG2 4.46Å
118Y88.6Confident81.2Confident4 Ų455.4 Ų55.42%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-106.7129.9-177.1-71.4-112.6000110.2M72 F86 K87 L92 L105 I107 D114 N131 Y132 I134M72-Y118 HydrophobicContact CE-CD1 3.94Å; M72-Y118 HydrophobicContact CE-CG 4.07Å; F86-Y118 CarbonylContact O-C 3.47Å; F86-Y118 VanDerWaalsContact O-CA 3.29Å; F86-Y118 WeakPolarHBondContact O-CA 3.46Å; K87-Y118 HydrophobicContact CB-CD1 4Å; K87-Y118 HydrophobicContact CB-CE1 3.79Å; K87-Y118 HydrophobicContact CB-CE2 4.36Å; K87-Y118 HydrophobicContact CB-CG 4.42Å; K87-Y118 HydrophobicContact CD-CE1 4.1Å; K87-Y118 HydrophobicContact CD-CE2 3.86Å; K87-Y118 VanDerWaalsContact CD-OH 3.31Å; K87-Y118 WeakPolarHBondContact CD-OH 3.34Å; K87-Y118 WeakPolarHBondContact CE-OH 3.31Å; K87-Y118 HydrophobicContact CG-CD1 4.29Å; K87-Y118 HydrophobicContact CG-CD2 4.07Å; K87-Y118 HydrophobicContact CG-CE1 3.89Å; K87-Y118 HydrophobicContact CG-CE2 3.62Å; K87-Y118 HydrophobicContact CG-CG 4.4Å; L92-Y118 HydrophobicContact CD1-CD1 3.7Å; L92-Y118 HydrophobicContact CD1-CE1 3.71Å; L105-Y118 HydrophobicContact CD2-CD1 3.72Å; L105-Y118 HydrophobicContact CD2-CE1 4.2Å; I107-Y118 HydrophobicContact CD1-CE1 3.68Å; D114-Y118 WeakPolarHBondContact O-CE2 3.41Å; D114-Y118 PolarHBondContact O-OH 3.14Å; Y118-N131 PolarHBondContact O-OD1 2.83Å; Y118-Y132 PolarHBondContact N-O 2.95Å; Y118-Y132 WeakPolarHBondContact O-CD2 3.33Å; Y118-Y132 PolarHBondContact O-N 2.92Å; Y118-I134 HydrophobicContact CD2-CD1 3.49Å; Y118-I134 VanDerWaalsContact CD2-CD1 3.49Å; Y118-I134 HydrophobicContact CD2-CG1 4.31Å; Y118-I134 HydrophobicContact CE2-CD1 3.56Å; Y118-I134 HydrophobicContact CG-CD1 4.08Å
119T86.8Confident81.1Confident10 Ų1054.8 Ų54.86%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-125.613617957.90000111.1W85 F86 R121 L128 K130 N131W85-T119 WeakPolarHBondContact CA-O 3.41Å; F86-T119 PolarHBondContact N-O 3.34Å; F86-T119 PolarHBondContact O-N 3.28Å; T119-R121 PolarHBondContact OG1-NE 2.64Å; T119-L128 VanDerWaalsContact CB-CD1 3.49Å; T119-L128 HydrophobicContact CG2-CD1 3.54Å; T119-K130 WeakPolarHBondContact CA-O 3.23Å; T119-N131 HydrophobicContact CG2-CB 4.22Å; T119-N131 WeakPolarHBondContact CG2-OD1 3.29Å
120C86.9Confident81.2Confident0 Ų052.7 Ų52.70%028%0.28CS..EExtended strand (participates in β ladder)trans-101.213616663.80000109.8C74 I83 W85 L129 K130C74-C120 HydrophobicContact CB-CB 3.54Å; C74-C120 WeakPolarHBondContact CB-SG 3.32Å; C74-C120 WeakPolarHBondContact SG-CB 3.38Å; C74-C120 CovalentContact SG-SG 2.03Å; C74-C120 PolarHBondContact SG-SG 3.37Å; I83-C120 HydrophobicContact CG2-CB 3.77Å; W85-C120 HydrophobicContact CD2-CB 3.84Å; W85-C120 HydrophobicContact CE3-CB 3.74Å; W85-C120 HydrophobicContact CH2-CB 3.93Å; W85-C120 HydrophobicContact CZ2-CB 4Å; W85-C120 HydrophobicContact CZ3-CB 3.8Å; C120-L129 PolarHBondContact O-N 3.35Å; C120-K130 PolarHBondContact N-O 2.95Å; C120-K130 PolarHBondContact SG-N 3.34Å; C120-K130 VanDerWaalsContact SG-N 3.4Å
121R84.6Confident81.3Confident59 Ų5954.2 Ų54.222%0.22329%0.288CS..EExtended strand (participates in β ladder)trans-138.6150.4-174.9-50.6-170.4-178.7-163.3-1.6110.8I83 V84 F86 T119 N126 T127 L128I83-R121 WeakPolarHBondContact CA-O 3.41Å; V84-R121 PolarHBondContact N-O 3.18Å; V84-R121 PolarHBondContact O-N 2.94Å; F86-R121 HydrophobicContact CD2-CG 4.14Å; F86-R121 HydrophobicContact CE2-CB 4.27Å; F86-R121 HydrophobicContact CE2-CG 4.26Å; T119-R121 PolarHBondContact OG1-NE 2.64Å; R121-N126 WeakPolarHBondContact CD-OD1 3.35Å; R121-N126 PolarHBondContact NH1-OD1 3.14Å; R121-T127 VanDerWaalsContact CA-O 3.3Å; R121-T127 WeakPolarHBondContact CA-O 3.45Å; R121-L128 HydrophobicContact CG-CD1 4.42Å
122L82Confident81.5Confident18 Ų1852.9 Ų52.99%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-68.7135.1172.1-72.3179.4000110.7E81 I83 H124 T125 N126 T127 L129E81-L122 HydrophobicContact CB-CD2 3.93Å; I83-L122 HydrophobicContact CG1-CD2 4.32Å; L122-H124 VanDerWaalsContact C-N 3.3Å; L122-H124 PolarHBondContact O-N 3.13Å; L122-T125 WeakPolarHBondContact CB-OG1 3.48Å; L122-N126 VanDerWaalsContact O-CA 3.26Å; L122-N126 WeakPolarHBondContact O-CA 3.45Å; L122-N126 PolarHBondContact O-N 3.11Å; L122-T127 PolarHBondContact N-O 3.2Å; L122-L129 HydrophobicContact CD1-CD2 4.42Å; L122-L129 HydrophobicContact CD2-CD1 3.89Å; L122-L129 HydrophobicContact CG-CD1 3.97Å; L122-L129 HydrophobicContact CG-CD2 4.1Å; L122-L129 HydrophobicContact CG-CG 4.22Å
123A75Confident81.7Confident46 Ų4649.1 Ų49.138%0.3827%0.266SS..THydrogen-bonded Turntrans-60.9-34.7-173.600000114.1P82 V84P82-A123 HydrophobicContact CB-CB 4.46Å; P82-A123 HydrophobicContact CG-CB 3.95Å; P82-A123 VanDerWaalsContact O-CB 3.29Å; P82-A123 WeakPolarHBondContact O-CB 3.49Å; P82-A123 PolarHBondContact O-N 2.89Å; V84-A123 HydrophobicContact CG2-CB 3.72Å
124H74.2Confident81.9Confident144 Ų14441.8 Ų41.867%0.66723%0.232SC*.THydrogen-bonded Turntrans-93.9-39.5-173.2-57.6105.4000113.4E81 L122E81-H124 IonicContact OE2-ND1 3.55Å; L122-H124 VanDerWaalsContact C-N 3.3Å; L122-H124 PolarHBondContact O-N 3.13Å
125T74.3Confident81.9Confident79 Ų7948.7 Ų48.749%0.48526%0.258SS..THydrogen-bonded Turntrans-97.8-11.9-176.159.50000113.4L122 T127L122-T125 WeakPolarHBondContact CB-OG1 3.48Å; T125-T127 PolarHBondContact O-N 2.67Å; T125-T127 PolarHBondContact OG1-OG1 3.13Å
126N72.3Confident81.8Confident90 Ų9047.4 Ų47.448%0.48125%0.248SC..  trans54.617.6-176.2-159.411.7000114.2R121 L122 L128R121-N126 WeakPolarHBondContact CD-OD1 3.35Å; R121-N126 PolarHBondContact NH1-OD1 3.14Å; L122-N126 VanDerWaalsContact O-CA 3.26Å; L122-N126 WeakPolarHBondContact O-CA 3.45Å; L122-N126 PolarHBondContact O-N 3.11Å; N126-L128 PolarHBondContact O-N 3.29Å
127T78.1Confident81.3Confident68 Ų6849.3 Ų49.342%0.41726%0.256SS..  trans-66.8128.8177.1540000109.7R121 L122 T125 L129R121-T127 VanDerWaalsContact CA-O 3.3Å; R121-T127 WeakPolarHBondContact CA-O 3.45Å; L122-T127 PolarHBondContact N-O 3.2Å; T125-T127 PolarHBondContact O-N 2.67Å; T125-T127 PolarHBondContact OG1-OG1 3.13Å; T127-L129 PolarHBondContact O-N 2.82Å
128L80.3Confident79.7Confident79 Ų7952.2 Ų52.241%0.41427%0.27SS..EExtended strand (participates in β ladder)trans-63.6123.2173.3-179.263.1000109.8T119 R121 N126 K130 N131T119-L128 VanDerWaalsContact CB-CD1 3.49Å; T119-L128 HydrophobicContact CG2-CD1 3.54Å; R121-L128 HydrophobicContact CG-CD1 4.42Å; N126-L128 PolarHBondContact O-N 3.29Å; L128-K130 WeakPolarHBondContact CD1-O 3.47Å; L128-N131 HydrophobicContact CD1-CB 4.48Å; L128-N131 HydrophobicContact CD2-CB 4.41Å
129L79.3Confident77.8Confident43 Ų4356.7 Ų56.723%0.22530%0.302CS..EExtended strand (participates in β ladder)trans-96.8-50.6179.1-67.1176.3000111.4C74 I83 C120 L122 T127C74-L129 VanDerWaalsContact SG-CB 3.55Å; I83-L129 HydrophobicContact CD1-CD1 3.92Å; I83-L129 HydrophobicContact CG1-CD1 3.99Å; I83-L129 HydrophobicContact CG2-CD1 4.3Å; C120-L129 PolarHBondContact O-N 3.35Å; L122-L129 HydrophobicContact CD1-CD2 4.42Å; L122-L129 HydrophobicContact CD2-CD1 3.89Å; L122-L129 HydrophobicContact CG-CD1 3.97Å; L122-L129 HydrophobicContact CG-CD2 4.1Å; L122-L129 HydrophobicContact CG-CG 4.22Å; T127-L129 PolarHBondContact O-N 2.82Å
130K81.1Confident75.8Confident52 Ų5262.3 Ų62.323%0.22633%0.331CS..EExtended strand (participates in β ladder)trans-143.3153.4171.3-75.8-168.8167.6-163.10110.8E60 T119 C120 L128 Y132E60-K130 WeakPolarHBondContact OE1-CE 3.04Å; E60-K130 IonicContact OE1-NZ 2.72Å; E60-K130 PolarHBondContact OE1-NZ 2.87Å; E60-K130 IonicContact OE2-NZ 3.17Å; E60-K130 PolarHBondContact OE2-NZ 2.92Å; T119-K130 WeakPolarHBondContact CA-O 3.23Å; C120-K130 PolarHBondContact N-O 2.95Å; C120-K130 PolarHBondContact SG-N 3.34Å; C120-K130 VanDerWaalsContact SG-N 3.4Å; L128-K130 WeakPolarHBondContact CD1-O 3.47Å; K130-Y132 HydrophobicContact CB-CE2 3.77Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 WeakPolarHBondContact CD-OH 3.42Å
131N84.8Confident73.7Confident33 Ų3368.1 Ų68.118%0.17637%0.372CS..EExtended strand (participates in β ladder)trans-125.4135.3175.7-170.119.1000110.1L59 E60 V117 Y118 T119 L128L59-N131 HydrophobicContact CD2-CB 4.12Å; L59-N131 WeakPolarHBondContact CD2-ND2 3.49Å; E60-N131 PolarHBondContact N-O 2.8Å; E60-N131 VanDerWaalsContact N-O 3.14Å; V117-N131 WeakPolarHBondContact CG1-OD1 3.46Å; Y118-N131 PolarHBondContact O-OD1 2.83Å; T119-N131 HydrophobicContact CG2-CB 4.22Å; T119-N131 WeakPolarHBondContact CG2-OD1 3.29Å; L128-N131 HydrophobicContact CD1-CB 4.48Å; L128-N131 HydrophobicContact CD2-CB 4.41Å
132Y84.8Confident71.8Confident1 Ų170.7 Ų70.70%0.00440%0.399CS..EExtended strand (participates in β ladder)trans-128.6134.4-174.9-57-84.4000110.6E60 F62 M72 S73 W85 V117 Y118 K130E60-Y132 HydrophobicContact CB-CD1 3.71Å; E60-Y132 HydrophobicContact CB-CE1 3.97Å; E60-Y132 VanDerWaalsContact O-CA 3.23Å; E60-Y132 WeakPolarHBondContact O-CA 3.34Å; E60-Y132 VanDerWaalsContact OE2-CE1 3.29Å; E60-Y132 WeakPolarHBondContact OE2-CE1 3.5Å; F62-Y132 HydrophobicContact CD2-CD1 4.34Å; F62-Y132 AromaticContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CD1 3.77Å; F62-Y132 HydrophobicContact CE2-CE1 4.19Å; M72-Y132 HydrophobicContact CB-CE1 4.39Å; M72-Y132 HydrophobicContact CB-CE2 4.3Å; M72-Y132 HydrophobicContact CG-CD1 4.27Å; M72-Y132 HydrophobicContact CG-CE1 4.32Å; M72-Y132 HydrophobicContact CG-CG 4.35Å; M72-Y132 HydrophobicContact SD-CD1 4.06Å; M72-Y132 HydrophobicContact SD-CD2 3.78Å; M72-Y132 HydrophobicContact SD-CE2 4.36Å; M72-Y132 HydrophobicContact SD-CG 3.6Å; M72-Y132 VanDerWaalsContact SD-CG 3.6Å; S73-Y132 PolarHBondContact O-OH 2.67Å; W85-Y132 AromaticContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CH2-CE2 3.85Å; W85-Y132 HydrophobicContact CZ3-CD2 4.02Å; W85-Y132 AromaticContact CZ3-CE2 3.62Å; W85-Y132 HydrophobicContact CZ3-CE2 3.62Å; V117-Y132 CarbonylContact C-O 3.47Å; V117-Y132 WeakPolarHBondContact CA-O 3.34Å; Y118-Y132 PolarHBondContact N-O 2.95Å; Y118-Y132 WeakPolarHBondContact O-CD2 3.33Å; Y118-Y132 PolarHBondContact O-N 2.92Å; K130-Y132 HydrophobicContact CB-CE2 3.77Å; K130-Y132 HydrophobicContact CD-CE1 4.41Å; K130-Y132 WeakPolarHBondContact CD-OH 3.42Å
133T84.1Confident69.7Low27 Ų2773.2 Ų73.217%0.16643%0.429CS..EExtended strand (participates in β ladder)trans-108.9124.4171.5-39.30000109.4E60 D61 F62 V117E60-T133 PolarHBondContact O-N 3.16Å; E60-T133 VanDerWaalsContact O-N 3.16Å; D61-T133 CarbonylContact C-O 3.55Å; D61-T133 WeakPolarHBondContact CA-O 3.31Å; D61-T133 WeakPolarHBondContact OD1-CB 3.1Å; D61-T133 PolarHBondContact OD1-OG1 3.45Å; F62-T133 PolarHBondContact N-O 2.86Å; V117-T133 HydrophobicContact CG2-CG2 4.46Å
134I84.5Confident68.3Low4 Ų478.8 Ų78.82%0.02145%0.453CS..EExtended strand (participates in β ladder)trans-112.4131.6178.5-59.9162.4000110F62 L64 L70 M72 S115 G116 Y118 V136F62-I134 HydrophobicContact CB-CG1 4.3Å; F62-I134 WeakPolarHBondContact O-CA 3.47Å; L64-I134 HydrophobicContact CD1-CG2 4.29Å; L70-I134 HydrophobicContact CD2-CD1 3.2Å; L70-I134 HydrophobicContact CD2-CG1 3.76Å; M72-I134 HydrophobicContact CE-CD1 3.87Å; M72-I134 HydrophobicContact SD-CD1 4.08Å; S115-I134 WeakPolarHBondContact CA-O 3.34Å; G116-I134 PolarHBondContact N-O 3.37Å; G116-I134 VanDerWaalsContact N-O 3.13Å; G116-I134 PolarHBondContact O-N 3.06Å; Y118-I134 HydrophobicContact CD2-CD1 3.49Å; Y118-I134 VanDerWaalsContact CD2-CD1 3.49Å; Y118-I134 HydrophobicContact CD2-CG1 4.31Å; Y118-I134 HydrophobicContact CE2-CD1 3.56Å; Y118-I134 HydrophobicContact CG-CD1 4.08Å; I134-V136 HydrophobicContact CG2-CG2 4.42Å
135R82.2Confident66.9Low158 Ų15879.5 Ų79.560%0.59646%0.461SS*.EExtended strand (participates in β ladder)trans-128.5124.3173.2-58.1-175.8-173.8-163.33.2110.3F62 I63 L64F62-R135 PolarHBondContact O-N 2.76Å; I63-R135 WeakPolarHBondContact CA-O 3.45Å; L64-R135 PolarHBondContact N-O 2.9Å
136V83.1Confident65.3Low10 Ų1083.9 Ų83.96%0.06148%0.477CS..EExtended strand (participates in β ladder)trans-97.6137.7178.4-1750000110.2L64 M66 V110 Y112 S115 I134L64-V136 CarbonylContact O-C 3.26Å; L64-V136 VanDerWaalsContact O-CA 3.31Å; L64-V136 WeakPolarHBondContact O-CA 3.34Å; M66-V136 HydrophobicContact CG-CG1 3.82Å; V110-V136 HydrophobicContact CG1-CG1 4.43Å; V110-V136 HydrophobicContact CG1-CG2 3.43Å; V110-V136 VanDerWaalsContact CG1-CG2 3.43Å; Y112-V136 HydrophobicContact CD1-CB 4.22Å; Y112-V136 HydrophobicContact CD1-CG1 4.4Å; Y112-V136 HydrophobicContact CE1-CB 4.45Å; Y112-V136 HydrophobicContact CE1-CG1 4.44Å; Y112-V136 WeakPolarHBondContact CE1-O 3.31Å; S115-V136 PolarHBondContact OG-N 2.81Å; I134-V136 HydrophobicContact CG2-CG2 4.42Å
137T73.4Confident64.2Low55 Ų5587.5 Ų87.534%0.33750%0.496SS..EExtended strand (participates in β ladder)trans-137.2157.5-17863.50000112.4I63 L64 G65 S139I63-T137 HydrophobicContact CG2-CG2 4.21Å; L64-T137 PolarHBondContact O-N 3.16Å; G65-T137 WeakPolarHBondContact CA-O 3.01Å; T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.18Å
138D54.3Low62.4Low116 Ų11693.4 Ų93.462%0.6251%0.512SS*.SBendtrans-83.213.3-172.4-98-19.7000114.5M66 Y112M66-D138 WeakPolarHBondContact CE-OD1 3.26Å; Y112-D138 PolarHBondContact OH-OD1 3.02Å; Y112-D138 VanDerWaalsContact OH-OD1 3.06Å; Y112-D138 PolarHBondContact OH-OD2 3.17Å
139S47.6Very low61Low99 Ų9998 Ų9869%0.69254%0.537SS*.  trans-155.986.3-167.5-59.50000114.9T137T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.18Å
140L46Very low59.3Low127 Ų127104.5 Ų104.567%0.66557%0.566SS**  trans-128.2127.1148.9-74.7174.5000108.5
141S41.5Very low57.8Low123 Ų123108.4 Ų108.486%0.8659%0.589SS**  trans-73.1125.3174.2-175.70000108.4
142S45.9Very low56.3Low112 Ų112112.3 Ų112.378%0.78362%0.617SS**  trans-61.6134176.655.10000111.8
143G37.1Very low54.9Low72 Ų72120.7 Ų120.774%0.74266%0.656SS**  trans-155.896.5163.800000106.9
144D45.4Very low53.8Low163 Ų163125.8 Ų125.887%0.87268%0.682SS**  trans-65.2152.6178.2-71.3-53.3000111.1
145D44Very low53.1Low158 Ų158127.8 Ų127.885%0.84570%0.699SS**  trans-66.6131.1172.1-54.4-64000111.1
146E41.6Very low53Low172 Ų172125.2 Ų125.280%0.80469%0.694SS**  trans-120.5130.3143.1-79.3-160.2-173.600108.5Y148E146-Y148 PolarHBondContact O-N 3.17Å
147D49.4Very low53.2Low165 Ų165127 Ų12788%0.88271%0.71SS**  trans-60114.2-177-65-58.9000111.5
148Y40.9Very low54.1Low193 Ų193124.9 Ų124.976%0.75770%0.697SS**  trans-125.8118.3156.9-80.4-83.3000109.1E146 E150E146-Y148 PolarHBondContact O-N 3.17Å; Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.06Å
149D49.8Very low55.8Low176 Ų176123.3 Ų123.394%0.94169%0.685SS**  trans-64.288.4163.3-71.9-61.9000108.5
150E42.9Very low57.9Low178 Ų178121.2 Ų121.283%0.83266%0.662SS**  trans-89.7130.6166.4-74-166.5151.700110.5Y148Y148-E150 VanDerWaalsContact C-N 3.27Å; Y148-E150 PolarHBondContact O-N 3.06Å
151D50.1Low59.9Low135 Ų135117.9 Ų117.972%0.72265%0.647SS**  trans-59154.1-176.7-91-61.6000113E153D151-E153 HydrophobicContact CB-CG 4.18Å; D151-E153 PolarHBondContact O-N 3.28Å
152P53.9Low61.9Low115 Ų115114.9 Ų114.975%0.74762%0.618SS**SBendtrans-79.149.5-174.435.5-38.6000113.3
153E54.8Low63.7Low177 Ų177112.7 Ų112.783%0.82760%0.601SS**THydrogen-bonded Turntrans-77.4-29-173.7-62.6-152.1138.400114D151D151-E153 HydrophobicContact CB-CG 4.18Å; D151-E153 PolarHBondContact O-N 3.28Å
154D62Low65.6Low133 Ų133114.2 Ų114.271%0.71159%0.589SS**THydrogen-bonded Turntrans-102.929.3-174.5-82.3-25.5000115.2E156 N188D154-E156 PolarHBondContact O-N 3.24Å; D154-N188 VanDerWaalsContact O-CB 3.31Å; D154-N188 WeakPolarHBondContact O-CB 3.44Å; D154-N188 PolarHBondContact O-ND2 3.44Å
155A69.4Low67Low46 Ų46111 Ų11138%0.3856%0.564SS.*  trans-79.379.5178.100000113.2Y241A155-Y241 HydrophobicContact CB-CD2 4.38Å; A155-Y241 HydrophobicContact CB-CE1 4.48Å; A155-Y241 HydrophobicContact CB-CE2 3.74Å
156E79.9Confident68.8Low104 Ų104103.6 Ų103.649%0.48653%0.525SS..PPolyproline II helixtrans-89.4128.7-175.1-97.6-168.514800116.2D154 F159 N188 N239D154-E156 PolarHBondContact O-N 3.24Å; E156-F159 WeakPolarHBondContact OE2-CE1 2.92Å; E156-N188 HydrophobicContact CB-CB 4.34Å; E156-N188 PolarHBondContact N-O 3.06Å; E156-N188 CarbonylContact O-C 3.55Å; E156-N188 PolarHBondContact O-N 2.81Å; E156-N188 VanDerWaalsContact O-O 3.06Å; E156-N239 PolarHBondContact O-ND2 2.84Å
157A88Confident70.4Confident49 Ų49101.1 Ų101.141%0.40552%0.517SS..PPolyproline II helixtrans-68153.6164.200000111
158P91.6Very high71.5Confident9 Ų9100.7 Ų100.76%0.05851%0.507CS..PPolyproline II helixtrans-68.9139.3-171.128.6-34.6000111.7D186 P191 V237 N239 G242 I244P158-D186 CarbonylContact C-O 3.57Å; P158-D186 VanDerWaalsContact CA-O 3.24Å; P158-D186 WeakPolarHBondContact CA-O 3.38Å; P158-P191 HydrophobicContact CB-CB 3.92Å; P158-P191 HydrophobicContact CB-CG 3.9Å; P158-V237 HydrophobicContact CB-CG1 4.24Å; P158-N239 WeakPolarHBondContact CD-OD1 3.41Å; P158-G242 WeakPolarHBondContact CG-O 3.17Å; P158-I244 HydrophobicContact CB-CD1 4.14Å; P158-I244 HydrophobicContact CB-CG1 4.26Å; P158-I244 HydrophobicContact CG-CG1 4.34Å; P158-I244 HydrophobicContact CG-CG2 4.42Å; P158-I244 WeakPolarHBondContact O-CG2 2.91Å
159F89.8Confident73.4Confident83 Ų8398 Ų9836%0.36450%0.499SS..EExtended strand (participates in β ladder)trans-132.7160.6175.766.3-87.4000112E156 T161 A185 D186E156-F159 WeakPolarHBondContact OE2-CE1 2.92Å; F159-T161 HydrophobicContact CD2-CG2 4.45Å; F159-T161 HydrophobicContact CE2-CG2 3.84Å; F159-T161 HydrophobicContact CZ-CG2 4.39Å; F159-A185 CarbonylContact O-C 3.5Å; F159-A185 WeakPolarHBondContact O-CA 3.5Å; F159-A185 WeakPolarHBondContact O-CB 3.25Å; F159-D186 HydrophobicContact CE1-CB 4.32Å; F159-D186 HydrophobicContact CZ-CB 4.09Å; F159-D186 PolarHBondContact N-O 2.89Å; F159-D186 PolarHBondContact O-N 3.09Å
160W91.7Very high75.1Confident56 Ų5694.3 Ų94.321%0.21248%0.48CS..EExtended strand (participates in β ladder)trans-80.1119.3176.1-58.4119.2000110.3K162 P163 M166 C183 A184 A185 V237 I244 H246W160-K162 VanDerWaalsContact C-N 3.34Å; W160-P163 HydrophobicContact CB-CB 4.27Å; W160-M166 HydrophobicContact CB-SD 4.47Å; W160-M166 HydrophobicContact CD2-CE 3.81Å; W160-M166 HydrophobicContact CD2-SD 3.95Å; W160-M166 HydrophobicContact CE3-CE 3.81Å; W160-M166 HydrophobicContact CE3-SD 3.91Å; W160-M166 HydrophobicContact CG-CE 4.49Å; W160-M166 HydrophobicContact CG-SD 4.22Å; W160-M166 HydrophobicContact CH2-CE 4.14Å; W160-M166 HydrophobicContact CZ2-CE 4.11Å; W160-M166 HydrophobicContact CZ3-CE 4Å; W160-C183 HydrophobicContact CE3-CB 4.43Å; W160-C183 HydrophobicContact CH2-CB 4.06Å; W160-C183 HydrophobicContact CZ3-CB 3.61Å; W160-A184 WeakPolarHBondContact CA-O 3.41Å; W160-A185 HydrophobicContact CE3-CB 3.84Å; W160-A185 HydrophobicContact CZ3-CB 3.91Å; W160-V237 HydrophobicContact CH2-CB 4.31Å; W160-V237 HydrophobicContact CH2-CG2 3.88Å; W160-V237 HydrophobicContact CZ3-CB 4.41Å; W160-V237 HydrophobicContact CZ3-CG2 3.81Å; W160-I244 HydrophobicContact CD2-CD1 3.59Å; W160-I244 HydrophobicContact CD2-CG1 4.42Å; W160-I244 HydrophobicContact CE3-CD1 3.72Å; W160-I244 HydrophobicContact CG-CD1 4.17Å; W160-I244 HydrophobicContact CH2-CD1 3.86Å; W160-I244 HydrophobicContact CH2-CG1 3.77Å; W160-I244 HydrophobicContact CZ2-CB 3.9Å; W160-I244 HydrophobicContact CZ2-CD1 3.74Å; W160-I244 HydrophobicContact CZ2-CG1 3.62Å; W160-I244 HydrophobicContact CZ3-CD1 3.84Å; W160-I244 HydrophobicContact CZ3-CG1 4.22Å; W160-H246 HydrophobicContact CH2-CB 4.37Å; W160-H246 HydrophobicContact CZ2-CB 3.87Å
161T87.3Confident77Confident57 Ų5787.7 Ų87.735%0.3545%0.449SS..SBendtrans-77.6-21.8177.148.80000113.3F159 A184 D186F159-T161 HydrophobicContact CD2-CG2 4.45Å; F159-T161 HydrophobicContact CE2-CG2 3.84Å; F159-T161 HydrophobicContact CZ-CG2 4.39Å; T161-A184 PolarHBondContact N-O 2.95Å; T161-A184 PolarHBondContact OG1-O 2.83Å; T161-D186 HydrophobicContact CG2-CB 3.43Å; T161-D186 VanDerWaalsContact CG2-CB 3.43Å
162K84.4Confident78.5Confident60 Ų6084 Ų8426%0.26144%0.437SS..  trans-14160.5-176.5-59.7-170.4-178.2-176.60112.7W160 E164 R165 A184 C584W160-K162 VanDerWaalsContact C-N 3.34Å; K162-E164 WeakPolarHBondContact CA-OE2 3.45Å; K162-E164 WeakPolarHBondContact CB-OE1 3.42Å; K162-E164 PolarHBondContact O-N 2.92Å; K162-R165 HydrophobicContact CB-CG 4.4Å; K162-R165 PolarHBondContact O-N 3.17Å; K162-A184 HydrophobicContact CB-CB 4.34Å; K162-C584 PolarHBondContact NZ-SG 3Å; K162-C584 VanDerWaalsContact NZ-SG 3.4Å
163P83.8Confident79.8Confident65 Ų6579.6 Ų79.642%0.42241%0.409SS..G310 helixtrans-61.4-28.4-17727.3-35.1000113.2W160 R165 M166 D167W160-P163 HydrophobicContact CB-CB 4.27Å; P163-R165 PolarHBondContact O-N 2.83Å; P163-R165 VanDerWaalsContact O-N 3.17Å; P163-M166 WeakPolarHBondContact O-CA 3.39Å; P163-M166 VanDerWaalsContact O-CB 3.27Å; P163-M166 WeakPolarHBondContact O-CB 3.27Å; P163-M166 PolarHBondContact O-N 3.19Å; P163-D167 PolarHBondContact O-N 3.47Å
164E76.5Confident80.6Confident104 Ų10473.9 Ų73.949%0.48639%0.387SS..G310 helixtrans-62.1-24.1177.979.6-63.616000112.8K162 M166 D167K162-E164 WeakPolarHBondContact CA-OE2 3.45Å; K162-E164 WeakPolarHBondContact CB-OE1 3.42Å; K162-E164 PolarHBondContact O-N 2.92Å; E164-M166 PolarHBondContact O-N 3.14Å; E164-D167 WeakPolarHBondContact CA-OD2 3.29Å
165R75.3Confident81.3Confident95 Ų9568.6 Ų68.636%0.35836%0.362SS..G310 helixtrans-81.20.3174-65.6172.5-172.5-148.6-13.3112.8K162 P163K162-R165 HydrophobicContact CB-CG 4.4Å; K162-R165 PolarHBondContact O-N 3.17Å; P163-R165 PolarHBondContact O-N 2.83Å; P163-R165 VanDerWaalsContact O-N 3.17Å
166M82Confident81.2Confident4 Ų469 Ų692%0.0237%0.365CS..THydrogen-bonded Turntrans-119.9-8.6-173.9-48.4176.157.700112.2W160 P163 E164 K168 R182 C183 H246W160-M166 HydrophobicContact CB-SD 4.47Å; W160-M166 HydrophobicContact CD2-CE 3.81Å; W160-M166 HydrophobicContact CD2-SD 3.95Å; W160-M166 HydrophobicContact CE3-CE 3.81Å; W160-M166 HydrophobicContact CE3-SD 3.91Å; W160-M166 HydrophobicContact CG-CE 4.49Å; W160-M166 HydrophobicContact CG-SD 4.22Å; W160-M166 HydrophobicContact CH2-CE 4.14Å; W160-M166 HydrophobicContact CZ2-CE 4.11Å; W160-M166 HydrophobicContact CZ3-CE 4Å; P163-M166 WeakPolarHBondContact O-CA 3.39Å; P163-M166 VanDerWaalsContact O-CB 3.27Å; P163-M166 WeakPolarHBondContact O-CB 3.27Å; P163-M166 PolarHBondContact O-N 3.19Å; E164-M166 PolarHBondContact O-N 3.14Å; M166-K168 PolarHBondContact O-N 2.88Å; M166-K168 VanDerWaalsContact O-N 3.15Å; M166-R182 WeakPolarHBondContact CG-O 3.49Å; M166-C183 HydrophobicContact CE-CB 4.02Å; M166-H246 HydrophobicContact CE-CB 3.34Å; M166-H246 PolarHBondContact O-CE1 3.27Å; M166-H246 PolarHBondContact O-NE2 2.97Å
167D74.6Confident81.1Confident119 Ų11967.6 Ų67.664%0.63636%0.361SS*.  trans-56.2-33.4-179.6-70-27.6000114.1P163 E164 K169P163-D167 PolarHBondContact O-N 3.47Å; E164-D167 WeakPolarHBondContact CA-OD2 3.29Å; D167-K169 VanDerWaalsContact C-N 3.29Å; D167-K169 PolarHBondContact O-N 3.46Å
168K73.8Confident80.7Confident156 Ų15669.3 Ų69.368%0.67837%0.367SS*.  trans-75.980.1175.3-68.8-173.1179-179.40110.7M166 L170 L171 Y248M166-K168 PolarHBondContact O-N 2.88Å; M166-K168 VanDerWaalsContact O-N 3.15Å; K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.26Å; K168-L171 WeakPolarHBondContact O-CD1 3.33Å; K168-Y248 WeakPolarHBondContact O-CD1 3.36Å
169K80.3Confident80.5Confident136 Ų13669.1 Ų69.159%0.59137%0.365SS*.  trans-65-29.6176-65.7177.8-176.5175.30113.2D167 Y248 Q249D167-K169 VanDerWaalsContact C-N 3.29Å; D167-K169 PolarHBondContact O-N 3.46Å; K169-Y248 CarbonylContact O-C 3.55Å; K169-Y248 WeakPolarHBondContact O-CA 3.27Å; K169-Q249 PolarHBondContact O-N 2.88Å
170L84.6Confident80.4Confident100 Ų10067.2 Ų67.252%0.52436%0.357SS..EExtended strand (participates in β ladder)trans-104.4123.3174.8179.965.9000110.5K168 Q249K168-L170 VanDerWaalsContact C-N 3.3Å; K168-L170 PolarHBondContact O-N 3.26Å; L170-Q249 HydrophobicContact CD1-CB 3.96Å; L170-Q249 HydrophobicContact CD1-CG 3.67Å
171L82.6Confident80.3Confident38 Ų3864.5 Ų64.520%0.19935%0.347CS..EExtended strand (participates in β ladder)trans-112.7106.7170.5-82.775.5000108.7K168 V179 F181 Y248 Q249 L250 D251K168-L171 WeakPolarHBondContact O-CD1 3.33Å; L171-V179 HydrophobicContact CD2-CG1 4.18Å; L171-F181 HydrophobicContact CD2-CD1 4.23Å; L171-F181 HydrophobicContact CD2-CE1 4.01Å; L171-Y248 HydrophobicContact CD1-CD1 3.71Å; L171-Y248 HydrophobicContact CD1-CE1 4.27Å; L171-Q249 PolarHBondContact N-O 3.29Å; L171-L250 HydrophobicContact CB-CD1 4.32Å; L171-D251 PolarHBondContact O-N 2.87Å
172A82.9Confident80.3Confident57 Ų5764.3 Ų64.347%0.47134%0.339SS..EExtended strand (participates in β ladder)trans-95.4120.8168.100000109.4D251 L253A172-D251 WeakPolarHBondContact CA-O 3.3Å; A172-D251 HydrophobicContact CB-CB 4.46Å; A172-L253 HydrophobicContact CB-CD1 4.15Å; A172-L253 HydrophobicContact CB-CG 4.34Å
173V80Confident80.6Confident23 Ų2361.5 Ų61.514%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-132.6141.9-175.4-62.20000112.2V179 A225 L250 D251 V252 L253V173-V179 HydrophobicContact CB-CG2 4.39Å; V173-V179 HydrophobicContact CG1-CG2 4.17Å; V173-V179 HydrophobicContact CG2-CG2 3.66Å; V173-A225 HydrophobicContact CG2-CB 4.31Å; V173-L250 HydrophobicContact CG2-CD1 3.84Å; V173-D251 PolarHBondContact N-O 3.44Å; V173-V252 HydrophobicContact CG2-CG2 4.18Å; V173-V252 CarbonylContact O-C 3.55Å; V173-V252 VanDerWaalsContact O-CA 3.29Å; V173-V252 WeakPolarHBondContact O-CA 3.45Å; V173-L253 PolarHBondContact O-N 3.4Å
174P73.3Confident80.9Confident58 Ų5859.5 Ų59.538%0.37732%0.316SS..EExtended strand (participates in β ladder)trans-62.4146.4169-24.133.7000112.9N177 L253P174-N177 WeakPolarHBondContact O-CB 3.15Å; P174-N177 PolarHBondContact O-N 2.82Å; P174-L253 CarbonylContact C-O 3.54Å; P174-L253 WeakPolarHBondContact CA-O 3.19Å
175A75.4Confident81.5Confident22 Ų2254.7 Ų54.718%0.18229%0.294CS..THydrogen-bonded Turntrans-55.4148.1171.100000112.5N177 A225 V252 L253A175-N177 VanDerWaalsContact C-N 3.27Å; A175-N177 PolarHBondContact O-N 2.8Å; A175-A225 CarbonylContact C-O 3.56Å; A175-A225 WeakPolarHBondContact CA-O 3.48Å; A175-V252 HydrophobicContact CB-CG1 4.17Å; A175-L253 PolarHBondContact N-O 2.9Å
176A67.4Low82.1Confident55 Ų5553 Ų5346%0.45529%0.292SS..THydrogen-bonded Turntrans69-0.1-171.500000117S224 A225A176-S224 WeakPolarHBondContact O-CA 3.38Å; A176-S224 PolarHBondContact O-OG 2.87Å; A176-A225 PolarHBondContact N-O 2.87Å
177N77.1Confident82.4Confident73 Ų7353 Ų5339%0.3929%0.294SS..  trans-82.6156.6172.2-72.4-10.6000112.9P174 A175 A225P174-N177 WeakPolarHBondContact O-CB 3.15Å; P174-N177 PolarHBondContact O-N 2.82Å; A175-N177 VanDerWaalsContact C-N 3.27Å; A175-N177 PolarHBondContact O-N 2.8Å; N177-A225 WeakPolarHBondContact O-CB 3.41Å; N177-A225 PolarHBondContact O-N 3.36Å
178T81.1Confident82.8Confident86 Ų8651.3 Ų51.353%0.52829%0.285SS..  trans-84.4131.8176-60.50000111.3V221 M222 E223T178-V221 HydrophobicContact CG2-CG1 3.77Å; T178-M222 CarbonylContact C-O 3.57Å; T178-M222 WeakPolarHBondContact CA-O 3.28Å; T178-M222 WeakPolarHBondContact CG2-O 3.25Å; T178-E223 HydrophobicContact CG2-CG 4.12Å
179V86Confident83.4Confident4 Ų446.3 Ų46.32%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-105.1143.6177.2179.60000109.7L171 V173 F181 M222 A225 L250L171-V179 HydrophobicContact CD2-CG1 4.18Å; V173-V179 HydrophobicContact CB-CG2 4.39Å; V173-V179 HydrophobicContact CG1-CG2 4.17Å; V173-V179 HydrophobicContact CG2-CG2 3.66Å; V179-F181 HydrophobicContact CG1-CD1 4.41Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.1Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; V179-M222 HydrophobicContact CB-CB 4.28Å; V179-M222 PolarHBondContact N-O 2.87Å; V179-M222 PolarHBondContact O-N 2.86Å; V179-A225 HydrophobicContact CG2-CB 3.88Å; V179-L250 HydrophobicContact CG1-CD1 3.99Å; V179-L250 HydrophobicContact CG2-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD2 4.5Å
180K88.4Confident83.6Confident43 Ų4346.2 Ų46.219%0.18727%0.271CS..EExtended strand (participates in β ladder)trans-136.9124.3171.3-175-174.8-167.2-171.60111.8R182 S219 L220 V221 F581K180-R182 HydrophobicContact CD-CG 3.9Å; K180-R182 HydrophobicContact CG-CG 4.1Å; K180-S219 WeakPolarHBondContact CE-OG 3.44Å; K180-S219 PolarHBondContact NZ-OG 2.7Å; K180-L220 WeakPolarHBondContact CA-O 3.45Å; K180-V221 HydrophobicContact CD-CG2 4.31Å; K180-V221 HydrophobicContact CG-CG2 4.05Å; K180-F581 HydrophobicContact CD-CE1 4.12Å; K180-F581 HydrophobicContact CD-CE2 3.68Å; K180-F581 HydrophobicContact CD-CZ 3.34Å; K180-F581 HydrophobicContact CG-CZ 4.49Å
181F89.7Confident83.9Confident0 Ų042 Ų420%025%0.25CC..EExtended strand (participates in β ladder)trans-96.9143.2165.5-51-57.7000109.6L171 V179 W195 S219 L220 Y233 Y248 L250L171-F181 HydrophobicContact CD2-CD1 4.23Å; L171-F181 HydrophobicContact CD2-CE1 4.01Å; V179-F181 HydrophobicContact CG1-CD1 4.41Å; V179-F181 HydrophobicContact CG1-CE1 3.78Å; V179-F181 HydrophobicContact CG1-CE2 4.1Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; F181-W195 HydrophobicContact CB-CH2 3.32Å; F181-W195 HydrophobicContact CB-CZ2 4.35Å; F181-W195 HydrophobicContact CB-CZ3 3.53Å; F181-W195 HydrophobicContact CD2-CZ3 4.15Å; F181-W195 HydrophobicContact CG-CH2 4.38Å; F181-W195 HydrophobicContact CG-CZ3 4.13Å; F181-S219 VanDerWaalsContact O-CA 3.25Å; F181-S219 WeakPolarHBondContact O-CA 3Å; F181-S219 WeakPolarHBondContact O-CB 3.32Å; F181-L220 HydrophobicContact CD2-CB 4.28Å; F181-L220 HydrophobicContact CD2-CD1 4.32Å; F181-L220 HydrophobicContact CD2-CD2 3.93Å; F181-L220 HydrophobicContact CD2-CG 4.4Å; F181-L220 HydrophobicContact CE2-CD2 4.24Å; F181-L220 PolarHBondContact N-O 3.24Å; F181-L220 PolarHBondContact O-N 3.44Å; F181-L220 VanDerWaalsContact O-N 3.16Å; F181-Y233 HydrophobicContact CD2-CD1 4.5Å; F181-Y233 HydrophobicContact CD2-CG 4.11Å; F181-Y233 AromaticContact CE2-CD1 3.91Å; F181-Y233 HydrophobicContact CE2-CD1 3.91Å; F181-Y233 AromaticContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CE2 4.27Å; F181-Y233 AromaticContact CE2-CG 3.42Å; F181-Y233 HydrophobicContact CE2-CG 3.42Å; F181-Y233 VanDerWaalsContact CE2-CG 3.42Å; F181-Y233 AromaticContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CE2 4.32Å; F181-Y233 AromaticContact CZ-CG 3.92Å; F181-Y233 HydrophobicContact CZ-CG 3.92Å; F181-Y248 HydrophobicContact CB-CD2 3.7Å; F181-Y248 HydrophobicContact CB-CE2 3.72Å; F181-Y248 HydrophobicContact CB-CG 4.42Å; F181-Y248 HydrophobicContact CD1-CD1 4.02Å; F181-Y248 AromaticContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CE2 4.24Å; F181-Y248 AromaticContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CD1-CG 3.45Å; F181-Y248 VanDerWaalsContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CE1-CG 4.04Å; F181-Y248 AromaticContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CE2 4.33Å; F181-Y248 HydrophobicContact CG-CG 4.16Å; F181-L250 HydrophobicContact CZ-CB 4.07Å; F181-L250 HydrophobicContact CZ-CD1 4.44Å; F181-L250 HydrophobicContact CZ-CD2 4.22Å; F181-L250 HydrophobicContact CZ-CG 4.47Å
182R88.1Confident84.2Confident53 Ų5344.1 Ų44.120%0.226%0.264CS..EExtended strand (participates in β ladder)trans-133.7122.2-177-60.1-172.6-169.3-143.16.4109.9M166 K180 W218 Y248 Y579M166-R182 WeakPolarHBondContact CG-O 3.49Å; K180-R182 HydrophobicContact CD-CG 3.9Å; K180-R182 HydrophobicContact CG-CG 4.1Å; R182-W218 CarbonylContact C-O 3.5Å; R182-W218 WeakPolarHBondContact CA-O 3.34Å; R182-Y248 PolarHBondContact O-OH 2.9Å; R182-Y579 PolarHBondContact NH2-O 2.82Å
183C90.1Very high84.5Confident0 Ų042 Ų420%025%0.245CC..  trans-128.962179.8-610000110.2W160 M166 A185 I193 W195 W218 C235W160-C183 HydrophobicContact CE3-CB 4.43Å; W160-C183 HydrophobicContact CH2-CB 4.06Å; W160-C183 HydrophobicContact CZ3-CB 3.61Å; M166-C183 HydrophobicContact CE-CB 4.02Å; C183-A185 PolarHBondContact O-N 2.89Å; C183-I193 HydrophobicContact CB-CD1 4.02Å; C183-W195 VanDerWaalsContact SG-CH2 3.51Å; C183-W218 PolarHBondContact N-O 3.45Å; C183-W218 WeakPolarHBondContact O-CB 3.38Å; C183-C235 HydrophobicContact CB-CB 3.64Å; C183-C235 WeakPolarHBondContact CB-SG 3.38Å; C183-C235 WeakPolarHBondContact SG-CB 3.34Å; C183-C235 CovalentContact SG-SG 2.02Å; C183-C235 PolarHBondContact SG-SG 3.06Å
184A89.1Confident85Confident23 Ų2343.7 Ų43.719%0.1925%0.251CS..  trans-66.7118.9-17700000110W160 T161 K162 W218W160-A184 WeakPolarHBondContact CA-O 3.41Å; T161-A184 PolarHBondContact N-O 2.95Å; T161-A184 PolarHBondContact OG1-O 2.83Å; K162-A184 HydrophobicContact CB-CB 4.34Å; A184-W218 HydrophobicContact CB-CB 4.28Å
185A89Confident85.8Confident3 Ų341.2 Ų41.23%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-136.3163.6-176.100000110.3F159 W160 C183 W218 V237 I244F159-A185 CarbonylContact O-C 3.5Å; F159-A185 WeakPolarHBondContact O-CA 3.5Å; F159-A185 WeakPolarHBondContact O-CB 3.25Å; W160-A185 HydrophobicContact CE3-CB 3.84Å; W160-A185 HydrophobicContact CZ3-CB 3.91Å; C183-A185 PolarHBondContact O-N 2.89Å; A185-W218 HydrophobicContact CB-CE3 4.1Å; A185-W218 HydrophobicContact CB-CH2 4.25Å; A185-W218 HydrophobicContact CB-CZ3 3.92Å; A185-W218 VanDerWaalsContact O-CE2 3.28Å; A185-W218 VanDerWaalsContact O-CZ2 3.26Å; A185-W218 WeakPolarHBondContact O-CZ2 2.98Å; A185-V237 HydrophobicContact CB-CB 4.42Å; A185-V237 HydrophobicContact CB-CG1 3.77Å; A185-V237 HydrophobicContact CB-CG2 4.33Å; A185-I244 HydrophobicContact CB-CD1 4.12Å
186D88.8Confident86.4Confident60 Ų6042 Ų4232%0.32124%0.235SC..EExtended strand (participates in β ladder)trans-149172.9176.4-154.3-11.5000109.1P158 F159 T161 M190P158-D186 CarbonylContact C-O 3.57Å; P158-D186 VanDerWaalsContact CA-O 3.24Å; P158-D186 WeakPolarHBondContact CA-O 3.38Å; F159-D186 HydrophobicContact CE1-CB 4.32Å; F159-D186 HydrophobicContact CZ-CB 4.09Å; F159-D186 PolarHBondContact N-O 2.89Å; F159-D186 PolarHBondContact O-N 3.09Å; T161-D186 HydrophobicContact CG2-CB 3.43Å; T161-D186 VanDerWaalsContact CG2-CB 3.43Å; D186-M190 WeakPolarHBondContact OD1-CE 3.27Å
187G87.4Confident87.5Confident5 Ų541.5 Ų41.55%0.05222%0.223CC..  trans155.5164.5178.300000111.6P189 M190G187-P189 CarbonylContact C-O 3.54Å; G187-P189 CarbonylContact O-C 3.54Å; G187-P189 VanDerWaalsContact O-O 3.11Å; G187-M190 WeakPolarHBondContact O-CA 3.34Å; G187-M190 PolarHBondContact O-N 3.2Å; G187-M190 VanDerWaalsContact O-N 3.09Å
188N82.8Confident88Confident83 Ų8342.8 Ų42.844%0.44423%0.23SC..SBendtrans-118.9108-175.3-17311.1000111.7D154 E156 Y241D154-N188 VanDerWaalsContact O-CB 3.31Å; D154-N188 WeakPolarHBondContact O-CB 3.44Å; D154-N188 PolarHBondContact O-ND2 3.44Å; E156-N188 HydrophobicContact CB-CB 4.34Å; E156-N188 PolarHBondContact N-O 3.06Å; E156-N188 CarbonylContact O-C 3.55Å; E156-N188 PolarHBondContact O-N 2.81Å; E156-N188 VanDerWaalsContact O-O 3.06Å; N188-Y241 VanDerWaalsContact O-CD2 3.27Å; N188-Y241 WeakPolarHBondContact O-CD2 3.37Å; N188-Y241 WeakPolarHBondContact O-CE2 3.49Å
189P87.2Confident88.1Confident50 Ų5041.4 Ų41.433%0.32523%0.233SC..SBendcis-77.1158.97.2-13.529.6000113.2G187 N239 K240G187-P189 CarbonylContact C-O 3.54Å; G187-P189 CarbonylContact O-C 3.54Å; G187-P189 VanDerWaalsContact O-O 3.11Å; P189-N239 VanDerWaalsContact O-CB 3.27Å; P189-N239 WeakPolarHBondContact O-CB 3.47Å; P189-N239 PolarHBondContact O-ND2 3.02Å; P189-K240 VanDerWaalsContact CD-CE 3.41Å; P189-K240 HydrophobicContact CG-CD 4.22Å; P189-K240 HydrophobicContact CG-CG 4.04Å
190M85.1Confident88.1Confident135 Ų13549.1 Ų49.167%0.66527%0.266SS*.  trans-44.3117.5177.3-85.8-78.6158.500112D186 G187D186-M190 WeakPolarHBondContact OD1-CE 3.27Å; G187-M190 WeakPolarHBondContact O-CA 3.34Å; G187-M190 PolarHBondContact O-N 3.2Å; G187-M190 VanDerWaalsContact O-N 3.09Å
191P89.8Confident87.9Confident11 Ų1153.1 Ų53.17%0.07129%0.285CS..  trans-77.4162-173.625.6-28.2000113.2P158 W218 V237 Q238 N239P158-P191 HydrophobicContact CB-CB 3.92Å; P158-P191 HydrophobicContact CB-CG 3.9Å; P191-W218 HydrophobicContact CB-CH2 4.44Å; P191-W218 HydrophobicContact CG-CH2 3.86Å; P191-W218 VanDerWaalsContact O-CH2 3.29Å; P191-W218 WeakPolarHBondContact O-CH2 3.31Å; P191-V237 HydrophobicContact CB-CG1 3.58Å; P191-V237 HydrophobicContact CG-CG1 3.82Å; P191-Q238 CarbonylContact C-O 3.51Å; P191-Q238 WeakPolarHBondContact CA-O 3.38Å; P191-Q238 WeakPolarHBondContact CB-O 3.3Å; P191-N239 HydrophobicContact CB-CB 4.04Å
192T88.4Confident87.4Confident83 Ų8354.9 Ų54.951%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-105.5139.5177.956.40000110.7V237 Q238T192-V237 CarbonylContact O-C 3.52Å; T192-V237 VanDerWaalsContact O-CA 3.25Å; T192-V237 WeakPolarHBondContact O-CA 3.49Å; T192-Q238 PolarHBondContact N-O 3.02Å; T192-Q238 PolarHBondContact O-N 2.85Å; T192-Q238 WeakPolarHBondContact OG1-CG 3.32Å; T192-Q238 PolarHBondContact OG1-O 2.84Å
193I90.6Very high86.5Confident12 Ų1258 Ų586%0.06231%0.308CS..EExtended strand (participates in β ladder)trans-105.4137.7177.6-175.4168.7000111.8C183 W195 H215 W218 C235 V236 V237C183-I193 HydrophobicContact CB-CD1 4.02Å; I193-W195 HydrophobicContact CD1-CZ2 3.93Å; I193-H215 HydrophobicContact CG2-CB 4.12Å; I193-H215 PolarHBondContact O-CD2 2.91Å; I193-H215 VanDerWaalsContact O-CD2 3.26Å; I193-W218 HydrophobicContact CB-CE3 3.95Å; I193-W218 HydrophobicContact CB-CZ3 3.81Å; I193-W218 HydrophobicContact CD1-CE3 4.08Å; I193-W218 HydrophobicContact CG2-CE3 4.11Å; I193-W218 HydrophobicContact CG2-CZ3 4.2Å; I193-C235 HydrophobicContact CD1-CB 4.14Å; I193-C235 HydrophobicContact CG1-CB 4.5Å; I193-V236 CarbonylContact C-O 3.5Å; I193-V236 WeakPolarHBondContact CA-O 3.12Å; I193-V237 HydrophobicContact CB-CG2 3.97Å; I193-V237 HydrophobicContact CD1-CG2 4.13Å; I193-V237 HydrophobicContact CG1-CG2 3.88Å
194H89.5Confident85.2Confident58 Ų5858.5 Ų58.527%0.26931%0.313SS..EExtended strand (participates in β ladder)trans-136.1165.8164.462.3-85.1000111.1C235 V236H194-C235 WeakPolarHBondContact O-CA 3.29Å; H194-V236 VanDerWaalsContact CE1-CG1 3.41Å; H194-V236 WeakPolarHBondContact CE1-CG1 3.33Å; H194-V236 PolarHBondContact N-O 2.76Å; H194-V236 WeakPolarHBondContact NE2-CB 3.38Å; H194-V236 PolarHBondContact O-N 3.04Å
195W90.1Very high83.8Confident7 Ų765.7 Ų65.73%0.02734%0.342CS..EExtended strand (participates in β ladder)trans-124.1142.5-174.2-69.182.9000112F181 C183 I193 F202 L213 L220 T234 C235 Y248F181-W195 HydrophobicContact CB-CH2 3.32Å; F181-W195 HydrophobicContact CB-CZ2 4.35Å; F181-W195 HydrophobicContact CB-CZ3 3.53Å; F181-W195 HydrophobicContact CD2-CZ3 4.15Å; F181-W195 HydrophobicContact CG-CH2 4.38Å; F181-W195 HydrophobicContact CG-CZ3 4.13Å; C183-W195 VanDerWaalsContact SG-CH2 3.51Å; I193-W195 HydrophobicContact CD1-CZ2 3.93Å; W195-F202 HydrophobicContact CB-CB 4.5Å; W195-F202 WeakPolarHBondContact O-CB 3.48Å; W195-F202 PolarHBondContact O-N 2.84Å; W195-L213 HydrophobicContact CB-CD2 4.44Å; W195-L213 HydrophobicContact CG-CD2 4.1Å; W195-L220 HydrophobicContact CB-CD1 4.15Å; W195-L220 HydrophobicContact CD2-CB 3.88Å; W195-L220 HydrophobicContact CD2-CD1 3.69Å; W195-L220 HydrophobicContact CD2-CG 4.45Å; W195-L220 HydrophobicContact CE3-CB 4.18Å; W195-L220 HydrophobicContact CE3-CD1 3.76Å; W195-L220 HydrophobicContact CG-CB 4.46Å; W195-L220 HydrophobicContact CG-CD1 3.87Å; W195-L220 HydrophobicContact CH2-CB 4.14Å; W195-L220 HydrophobicContact CZ2-CB 3.82Å; W195-L220 HydrophobicContact CZ3-CB 4.3Å; W195-L220 HydrophobicContact CZ3-CD1 4.46Å; W195-T234 CarbonylContact C-O 3.55Å; W195-T234 WeakPolarHBondContact CA-O 3.48Å; W195-C235 HydrophobicContact CD2-CB 4.01Å; W195-C235 HydrophobicContact CE3-CB 3.85Å; W195-C235 HydrophobicContact CH2-CB 3.63Å; W195-C235 HydrophobicContact CZ2-CB 3.79Å; W195-C235 HydrophobicContact CZ3-CB 3.67Å; W195-Y248 HydrophobicContact CH2-CE2 4.49Å; W195-Y248 HydrophobicContact CZ3-CD2 4.39Å
196L89.4Confident82Confident38 Ų3875 Ų7520%0.19939%0.386CS..EExtended strand (participates in β ladder)trans-118.9138.9173.9-48.2175.9000109.5K200 Y233 T234 V236L196-K200 CarbonylContact C-O 3.53Å; L196-K200 WeakPolarHBondContact CA-O 3.39Å; L196-Y233 CarbonylContact O-C 3.44Å; L196-Y233 WeakPolarHBondContact O-CA 3.05Å; L196-T234 PolarHBondContact N-O 3.1Å; L196-T234 PolarHBondContact O-N 2.93Å; L196-V236 HydrophobicContact CD1-CG2 3.95Å; L196-V236 HydrophobicContact CG-CG2 4.25Å
197K89Confident80.6Confident45 Ų4574.6 Ų74.620%0.19638%0.379CS..EExtended strand (participates in β ladder)trans-109.8121165.7-177.5179.7-179.71700108.5G199 K200 F202 S228 D229 N232 Y233K197-G199 PolarHBondContact O-N 3.32Å; K197-K200 PolarHBondContact N-O 3.38Å; K197-K200 PolarHBondContact O-N 3.49Å; K197-F202 HydrophobicContact CB-CB 4.11Å; K197-F202 HydrophobicContact CB-CD2 3.57Å; K197-F202 HydrophobicContact CB-CE2 4.15Å; K197-F202 HydrophobicContact CB-CG 3.93Å; K197-F202 HydrophobicContact CD-CD2 4.16Å; K197-F202 HydrophobicContact CD-CE2 3.88Å; K197-F202 HydrophobicContact CG-CD2 4.47Å; K197-S228 PolarHBondContact NZ-O 3.04Å; K197-D229 PolarHBondContact NZ-O 3.28Å; K197-N232 CarbonylContact C-O 3.59Å; K197-N232 WeakPolarHBondContact CA-O 3.4Å; K197-Y233 HydrophobicContact CB-CD1 4.28Å; K197-Y233 HydrophobicContact CB-CE1 4.04Å; K197-Y233 HydrophobicContact CD-CE1 3.81Å; K197-Y233 WeakPolarHBondContact CD-OH 3.25Å; K197-Y233 WeakPolarHBondContact CE-OH 3.48Å; K197-Y233 HydrophobicContact CG-CD1 4.39Å; K197-Y233 HydrophobicContact CG-CE1 3.85Å; K197-Y233 PolarHBondContact NZ-OH 3.05Å
198N88.6Confident78.4Confident99 Ų9983.6 Ų83.653%0.52942%0.422SS..THydrogen-bonded Turntrans49.740.2-176.6-59.1-27.8000112.5K200 G231 N232N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 2.85Å; N198-G231 WeakPolarHBondContact OD1-CA 3.41Å; N198-N232 PolarHBondContact N-O 2.86Å; N198-N232 PolarHBondContact OD1-N 2.84Å
199G83.6Confident77Confident58 Ų5881.7 Ų81.760%0.59842%0.423SS*.THydrogen-bonded Turntrans791.7-179.300000116.4K197K197-G199 PolarHBondContact O-N 3.32Å
200K86.1Confident75.7Confident166 Ų16680.8 Ų80.872%0.72242%0.423SS*.EExtended strand (participates in β ladder)trans-107144.6175.7-65.2-173.9176.8-1750111.7L196 K197 N198 F202L196-K200 CarbonylContact C-O 3.53Å; L196-K200 WeakPolarHBondContact CA-O 3.39Å; K197-K200 PolarHBondContact N-O 3.38Å; K197-K200 PolarHBondContact O-N 3.49Å; N198-K200 VanDerWaalsContact C-N 3.34Å; N198-K200 PolarHBondContact O-N 2.85Å; K200-F202 PolarHBondContact O-N 3.02Å
201E83.1Confident75Confident127 Ų12775.5 Ų75.559%0.59340%0.397SS*.EExtended strand (participates in β ladder)trans-54.1129.9179.1-163.5-171.9-172.500111.8K203E201-K203 VanDerWaalsContact CD-NZ 3.34Å; E201-K203 WeakPolarHBondContact OE1-CE 3.23Å; E201-K203 IonicContact OE1-NZ 3.41Å; E201-K203 PolarHBondContact OE1-NZ 2.99Å; E201-K203 VanDerWaalsContact OE1-NZ 3.16Å; E201-K203 WeakPolarHBondContact OE2-CE 3.26Å; E201-K203 IonicContact OE2-NZ 3.57Å; E201-K203 PolarHBondContact OE2-NZ 3.14Å
202F80.6Confident74.3Confident36 Ų3679.3 Ų79.316%0.15841%0.412CS..  trans-121.193.7-169.7-171.9-106.4000112.2W195 K197 K200 G204 I211 L220 Y233W195-F202 HydrophobicContact CB-CB 4.5Å; W195-F202 WeakPolarHBondContact O-CB 3.48Å; W195-F202 PolarHBondContact O-N 2.84Å; K197-F202 HydrophobicContact CB-CB 4.11Å; K197-F202 HydrophobicContact CB-CD2 3.57Å; K197-F202 HydrophobicContact CB-CE2 4.15Å; K197-F202 HydrophobicContact CB-CG 3.93Å; K197-F202 HydrophobicContact CD-CD2 4.16Å; K197-F202 HydrophobicContact CD-CE2 3.88Å; K197-F202 HydrophobicContact CG-CD2 4.47Å; K200-F202 PolarHBondContact O-N 3.02Å; F202-G204 PolarHBondContact O-N 3.47Å; F202-I211 HydrophobicContact CE1-CD1 3.85Å; F202-I211 HydrophobicContact CE1-CG2 4.14Å; F202-I211 HydrophobicContact CZ-CD1 3.47Å; F202-I211 VanDerWaalsContact CZ-CD1 3.47Å; F202-L220 HydrophobicContact CD1-CD1 3.9Å; F202-L220 HydrophobicContact CE1-CD1 3.92Å; F202-Y233 HydrophobicContact CD1-CE1 4.39Å; F202-Y233 HydrophobicContact CE1-CD1 4.46Å; F202-Y233 AromaticContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE2-CE1 4.4Å; F202-Y233 AromaticContact CZ-CE1 3.96Å; F202-Y233 HydrophobicContact CZ-CE1 3.96Å
203K68.1Low73.7Confident120 Ų12077.5 Ų77.552%0.52240%0.399SS..  trans-84.91.3-174.8-58.1-169.1-179.5-178.10115.2E201 E205E201-K203 VanDerWaalsContact CD-NZ 3.34Å; E201-K203 WeakPolarHBondContact OE1-CE 3.23Å; E201-K203 IonicContact OE1-NZ 3.41Å; E201-K203 PolarHBondContact OE1-NZ 2.99Å; E201-K203 VanDerWaalsContact OE1-NZ 3.16Å; E201-K203 WeakPolarHBondContact OE2-CE 3.26Å; E201-K203 IonicContact OE2-NZ 3.57Å; E201-K203 PolarHBondContact OE2-NZ 3.14Å; K203-E205 PolarHBondContact O-N 3.16Å
204G63Low73Confident9 Ų981.9 Ų81.99%0.09342%0.415CS..SBendtrans72.5-30.917800000116F202 Q206F202-G204 PolarHBondContact O-N 3.47Å; G204-Q206 PolarHBondContact O-N 2.99Å; G204-Q206 VanDerWaalsContact O-N 3.14Å
205E59.3Low72.3Confident174 Ų17483.9 Ų83.981%0.81342%0.424SS*.THydrogen-bonded Turntrans-62.5-18.5-177-67170.9166.500114.9K203 R207K203-E205 PolarHBondContact O-N 3.16Å; E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.99Å
206Q51.3Low71.4Confident200 Ų20092.8 Ų92.894%0.93547%0.466SS*.THydrogen-bonded Turntrans-84.421.5-174.2-61.7-144.7-22.200115.1G204G204-Q206 PolarHBondContact O-N 2.99Å; G204-Q206 VanDerWaalsContact O-N 3.14Å
207R58.8Low70.7Confident50 Ų5095.5 Ų95.519%0.18948%0.478CS..  trans-142.3127.3179.9-179.1173.8164.9-141.7-13.7114E205 G209 I211 M222 E223 S224 D229E205-R207 VanDerWaalsContact C-N 3.25Å; E205-R207 PolarHBondContact O-N 2.99Å; R207-G209 PolarHBondContact O-N 3.35Å; R207-I211 HydrophobicContact CB-CD1 4.46Å; R207-M222 PolarHBondContact NH1-SD 3.31Å; R207-M222 VanDerWaalsContact NH1-SD 3.44Å; R207-E223 PolarHBondContact NH2-O 2.89Å; R207-S224 PolarHBondContact NH2-O 2.76Å; R207-D229 WeakPolarHBondContact CD-OD1 3.08Å; R207-D229 IonicContact CZ-OD1 3.16Å; R207-D229 IonicContact CZ-OD2 2.9Å; R207-D229 IonicContact NE-OD1 2.64Å; R207-D229 PolarHBondContact NE-OD1 3.22Å; R207-D229 IonicContact NE-OD2 3.34Å; R207-D229 IonicContact NH1-OD1 2.84Å; R207-D229 PolarHBondContact NH1-OD1 3.04Å; R207-D229 IonicContact NH1-OD2 3.49Å; R207-D229 PolarHBondContact NH1-OD2 2.65Å; R207-D229 IonicContact NH2-OD2 3.85Å; R207-D229 PolarHBondContact NH2-OD2 2.02Å
208M42.8Very low70.4Confident194 Ų19495.5 Ų95.596%0.95648%0.477SS*.THydrogen-bonded Turntrans-69.3115161.5-60.3-173.9-171.900109.2
209G52.1Low70.3Confident44 Ų4490.8 Ų90.845%0.45445%0.451SS..THydrogen-bonded Turntrans143.8-15.1-17500000115R207R207-G209 PolarHBondContact O-N 3.35Å
210G60.3Low70.5Confident31 Ų3188 Ų8832%0.3242%0.423SS..  trans81.3101.717300000113.7E223G210-E223 PolarHBondContact O-N 3.49Å
211I70.6Confident70.4Confident24 Ų2480.6 Ų80.612%0.12339%0.392CS..EExtended strand (participates in β ladder)trans-111.7125.8169.5-63.1-177.1000108.3F202 R207 L220 V221 M222F202-I211 HydrophobicContact CE1-CD1 3.85Å; F202-I211 HydrophobicContact CE1-CG2 4.14Å; F202-I211 HydrophobicContact CZ-CD1 3.47Å; F202-I211 VanDerWaalsContact CZ-CD1 3.47Å; R207-I211 HydrophobicContact CB-CD1 4.46Å; I211-L220 HydrophobicContact CG2-CD2 3.96Å; I211-L220 HydrophobicContact CG2-CG 4.16Å; I211-V221 CarbonylContact C-O 3.52Å; I211-V221 WeakPolarHBondContact CA-O 3.13Å; I211-M222 HydrophobicContact CD1-CE 4.09Å; I211-M222 HydrophobicContact CD1-CG 4.4Å; I211-M222 HydrophobicContact CG1-CB 4.39Å; I211-M222 HydrophobicContact CG1-CG 4.28Å
212K74.6Confident70.5Confident91 Ų9174.6 Ų74.640%0.39636%0.363SS..EExtended strand (participates in β ladder)trans-110.7101.7-176.4-68.1166.1-174.1157.50108.9R214 V221 E223K212-R214 PolarHBondContact O-N 2.81Å; K212-V221 HydrophobicContact CB-CB 4.35Å; K212-V221 PolarHBondContact N-O 2.97Å; K212-V221 PolarHBondContact O-N 3.05Å; K212-E223 WeakPolarHBondContact CD-OE1 3.35Å; K212-E223 WeakPolarHBondContact CE-OE1 3.18Å; K212-E223 IonicContact NZ-OE1 2.67Å; K212-E223 PolarHBondContact NZ-OE1 2.77Å; K212-E223 IonicContact NZ-OE2 3.72Å; K212-E223 PolarHBondContact NZ-OE2 3.03Å
213L75.4Confident70.5Confident45 Ų4575.8 Ų75.824%0.23637%0.37CS..EExtended strand (participates in β ladder)trans-80102.2171.4-65.7174.7000109.1W195 H215 L220W195-L213 HydrophobicContact CB-CD2 4.44Å; W195-L213 HydrophobicContact CG-CD2 4.1Å; L213-H215 PolarHBondContact O-ND1 3.03Å; L213-L220 HydrophobicContact CD2-CB 4.14Å; L213-L220 HydrophobicContact CD2-CD1 3.89Å; L213-L220 HydrophobicContact CD2-CG 3.77Å
214R76.4Confident70.7Confident103 Ų10373 Ų7339%0.38937%0.365SS..EExtended strand (participates in β ladder)trans-101.781.9-178.8-61-166.7177.3-161.2-4.2109.9K212 Q216 Q217 W218 S219K212-R214 PolarHBondContact O-N 2.81Å; R214-Q216 PolarHBondContact O-N 3.18Å; R214-Q217 HydrophobicContact CB-CB 3.88Å; R214-Q217 HydrophobicContact CB-CG 4.36Å; R214-Q217 CarbonylContact O-C 3.54Å; R214-Q217 VanDerWaalsContact O-C 3.28Å; R214-Q217 WeakPolarHBondContact O-CA 3.34Å; R214-Q217 PolarHBondContact O-N 2.84Å; R214-W218 PolarHBondContact O-N 2.79Å; R214-S219 PolarHBondContact N-O 2.82Å; R214-S219 PolarHBondContact O-N 2.76Å; R214-S219 VanDerWaalsContact O-N 3.16Å
215H76.1Confident71.5Confident100 Ų10072.6 Ų72.646%0.46336%0.361SS..G310 helixtrans-53.4-52.8-179.4-60.189000112.1I193 L213 Q217 W218I193-H215 HydrophobicContact CG2-CB 4.12Å; I193-H215 PolarHBondContact O-CD2 2.91Å; I193-H215 VanDerWaalsContact O-CD2 3.26Å; L213-H215 PolarHBondContact O-ND1 3.03Å; H215-Q217 PolarHBondContact O-N 2.69Å; H215-Q217 VanDerWaalsContact O-N 3.14Å; H215-W218 PolarHBondContact O-N 2.77Å
216Q70.9Confident72.4Confident194 Ų19466.9 Ų66.991%0.90734%0.338SS*.G310 helixtrans-61.5-19.6175.2-68.6175.7-18.800114.8R214R214-Q216 PolarHBondContact O-N 3.18Å
217Q73.6Confident73.6Confident95 Ų9560 Ų6044%0.44431%0.31SS..G310 helixtrans-109.116.8176.4-56.7-167.4-27.100112R214 H215 S219R214-Q217 HydrophobicContact CB-CB 3.88Å; R214-Q217 HydrophobicContact CB-CG 4.36Å; R214-Q217 CarbonylContact O-C 3.54Å; R214-Q217 VanDerWaalsContact O-C 3.28Å; R214-Q217 WeakPolarHBondContact O-CA 3.34Å; R214-Q217 PolarHBondContact O-N 2.84Å; H215-Q217 PolarHBondContact O-N 2.69Å; H215-Q217 VanDerWaalsContact O-N 3.14Å; Q217-S219 WeakPolarHBondContact O-CB 3.24Å; Q217-S219 PolarHBondContact O-N 3.31Å; Q217-S219 PolarHBondContact O-OG 2.8Å
218W83.8Confident74.4Confident46 Ų4662.1 Ų62.117%0.17433%0.333CS..THydrogen-bonded Turntrans47.139.7176-61.499.6000114R182 C183 A184 A185 P191 I193 R214 H215 V237R182-W218 CarbonylContact C-O 3.5Å; R182-W218 WeakPolarHBondContact CA-O 3.34Å; C183-W218 PolarHBondContact N-O 3.45Å; C183-W218 WeakPolarHBondContact O-CB 3.38Å; A184-W218 HydrophobicContact CB-CB 4.28Å; A185-W218 HydrophobicContact CB-CE3 4.1Å; A185-W218 HydrophobicContact CB-CH2 4.25Å; A185-W218 HydrophobicContact CB-CZ3 3.92Å; A185-W218 VanDerWaalsContact O-CE2 3.28Å; A185-W218 VanDerWaalsContact O-CZ2 3.26Å; A185-W218 WeakPolarHBondContact O-CZ2 2.98Å; P191-W218 HydrophobicContact CB-CH2 4.44Å; P191-W218 HydrophobicContact CG-CH2 3.86Å; P191-W218 VanDerWaalsContact O-CH2 3.29Å; P191-W218 WeakPolarHBondContact O-CH2 3.31Å; I193-W218 HydrophobicContact CB-CE3 3.95Å; I193-W218 HydrophobicContact CB-CZ3 3.81Å; I193-W218 HydrophobicContact CD1-CE3 4.08Å; I193-W218 HydrophobicContact CG2-CE3 4.11Å; I193-W218 HydrophobicContact CG2-CZ3 4.2Å; R214-W218 PolarHBondContact O-N 2.79Å; H215-W218 PolarHBondContact O-N 2.77Å; W218-V237 HydrophobicContact CE3-CG2 4.23Å; W218-V237 HydrophobicContact CH2-CG1 4.15Å; W218-V237 HydrophobicContact CZ3-CB 4.42Å; W218-V237 HydrophobicContact CZ3-CG1 3.66Å; W218-V237 HydrophobicContact CZ3-CG2 3.85Å
219S86.4Confident76.3Confident0 Ų053 Ų530%029%0.288CS..EExtended strand (participates in β ladder)trans-150.6150.2-171.7460000116.3K180 F181 R214 Q217K180-S219 WeakPolarHBondContact CE-OG 3.44Å; K180-S219 PolarHBondContact NZ-OG 2.7Å; F181-S219 VanDerWaalsContact O-CA 3.25Å; F181-S219 WeakPolarHBondContact O-CA 3Å; F181-S219 WeakPolarHBondContact O-CB 3.32Å; R214-S219 PolarHBondContact N-O 2.82Å; R214-S219 PolarHBondContact O-N 2.76Å; R214-S219 VanDerWaalsContact O-N 3.16Å; Q217-S219 WeakPolarHBondContact O-CB 3.24Å; Q217-S219 PolarHBondContact O-N 3.31Å; Q217-S219 PolarHBondContact O-OG 2.8Å
220L86.6Confident78Confident0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-107.9120.8169.7-175.9167.7000107.4K180 F181 W195 F202 I211 L213 M222 Y233K180-L220 WeakPolarHBondContact CA-O 3.45Å; F181-L220 HydrophobicContact CD2-CB 4.28Å; F181-L220 HydrophobicContact CD2-CD1 4.32Å; F181-L220 HydrophobicContact CD2-CD2 3.93Å; F181-L220 HydrophobicContact CD2-CG 4.4Å; F181-L220 HydrophobicContact CE2-CD2 4.24Å; F181-L220 PolarHBondContact N-O 3.24Å; F181-L220 PolarHBondContact O-N 3.44Å; F181-L220 VanDerWaalsContact O-N 3.16Å; W195-L220 HydrophobicContact CB-CD1 4.15Å; W195-L220 HydrophobicContact CD2-CB 3.88Å; W195-L220 HydrophobicContact CD2-CD1 3.69Å; W195-L220 HydrophobicContact CD2-CG 4.45Å; W195-L220 HydrophobicContact CE3-CB 4.18Å; W195-L220 HydrophobicContact CE3-CD1 3.76Å; W195-L220 HydrophobicContact CG-CB 4.46Å; W195-L220 HydrophobicContact CG-CD1 3.87Å; W195-L220 HydrophobicContact CH2-CB 4.14Å; W195-L220 HydrophobicContact CZ2-CB 3.82Å; W195-L220 HydrophobicContact CZ3-CB 4.3Å; W195-L220 HydrophobicContact CZ3-CD1 4.46Å; F202-L220 HydrophobicContact CD1-CD1 3.9Å; F202-L220 HydrophobicContact CE1-CD1 3.92Å; I211-L220 HydrophobicContact CG2-CD2 3.96Å; I211-L220 HydrophobicContact CG2-CG 4.16Å; L213-L220 HydrophobicContact CD2-CB 4.14Å; L213-L220 HydrophobicContact CD2-CD1 3.89Å; L213-L220 HydrophobicContact CD2-CG 3.77Å; L220-M222 HydrophobicContact CD2-CB 4.19Å; L220-Y233 HydrophobicContact CD1-CD1 4.21Å
221V85.6Confident79.3Confident10 Ų1055 Ų556%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-108.1129.2172.6-176.90000108.8T178 K180 I211 K212 E223 F581T178-V221 HydrophobicContact CG2-CG1 3.77Å; K180-V221 HydrophobicContact CD-CG2 4.31Å; K180-V221 HydrophobicContact CG-CG2 4.05Å; I211-V221 CarbonylContact C-O 3.52Å; I211-V221 WeakPolarHBondContact CA-O 3.13Å; K212-V221 HydrophobicContact CB-CB 4.35Å; K212-V221 PolarHBondContact N-O 2.97Å; K212-V221 PolarHBondContact O-N 3.05Å; V221-E223 HydrophobicContact CG1-CG 4.48Å; V221-F581 HydrophobicContact CG2-CZ 4.11Å
222M84.6Confident80.3Confident0 Ų057.2 Ų57.20%029%0.289CS..EExtended strand (participates in β ladder)trans-119.8112.2177.7172.8-168.9-69.600108.4T178 V179 R207 I211 L220 A225 D229 Y233 L250T178-M222 CarbonylContact C-O 3.57Å; T178-M222 WeakPolarHBondContact CA-O 3.28Å; T178-M222 WeakPolarHBondContact CG2-O 3.25Å; V179-M222 HydrophobicContact CB-CB 4.28Å; V179-M222 PolarHBondContact N-O 2.87Å; V179-M222 PolarHBondContact O-N 2.86Å; R207-M222 PolarHBondContact NH1-SD 3.31Å; R207-M222 VanDerWaalsContact NH1-SD 3.44Å; I211-M222 HydrophobicContact CD1-CE 4.09Å; I211-M222 HydrophobicContact CD1-CG 4.4Å; I211-M222 HydrophobicContact CG1-CB 4.39Å; I211-M222 HydrophobicContact CG1-CG 4.28Å; L220-M222 HydrophobicContact CD2-CB 4.19Å; M222-A225 HydrophobicContact SD-CB 4.3Å; M222-D229 HydrophobicContact CE-CB 3.96Å; M222-D229 HydrophobicContact SD-CB 3.68Å; M222-Y233 HydrophobicContact CE-CE1 4.02Å; M222-Y233 HydrophobicContact CE-CE2 4.46Å; M222-Y233 WeakPolarHBondContact CE-OH 3.16Å; M222-L250 HydrophobicContact CE-CD2 4.23Å; M222-L250 HydrophobicContact SD-CD2 4Å
223E80.1Confident81.1Confident62 Ų6252.9 Ų52.929%0.2927%0.27SS..SBendtrans-82.2143.4179.1-74.6160.5-161.500110.4T178 R207 G210 K212 V221T178-E223 HydrophobicContact CG2-CG 4.12Å; R207-E223 PolarHBondContact NH2-O 2.89Å; G210-E223 PolarHBondContact O-N 3.49Å; K212-E223 WeakPolarHBondContact CD-OE1 3.35Å; K212-E223 WeakPolarHBondContact CE-OE1 3.18Å; K212-E223 IonicContact NZ-OE1 2.67Å; K212-E223 PolarHBondContact NZ-OE1 2.77Å; K212-E223 IonicContact NZ-OE2 3.72Å; K212-E223 PolarHBondContact NZ-OE2 3.03Å; V221-E223 HydrophobicContact CG1-CG 4.48Å
224S72.8Confident82Confident62 Ų6251.7 Ų51.743%0.43427%0.265SS..SBendtrans41.771.5-179.5-63.80000115.4A176 R207A176-S224 WeakPolarHBondContact O-CA 3.38Å; A176-S224 PolarHBondContact O-OG 2.87Å; R207-S224 PolarHBondContact NH2-O 2.76Å
225A78.8Confident82.7Confident0 Ų046.8 Ų46.80%025%0.246CC..  trans-56136.8179.200000113V173 A175 A176 N177 V179 M222 D229 V252V173-A225 HydrophobicContact CG2-CB 4.31Å; A175-A225 CarbonylContact C-O 3.56Å; A175-A225 WeakPolarHBondContact CA-O 3.48Å; A176-A225 PolarHBondContact N-O 2.87Å; N177-A225 WeakPolarHBondContact O-CB 3.41Å; N177-A225 PolarHBondContact O-N 3.36Å; V179-A225 HydrophobicContact CG2-CB 3.88Å; M222-A225 HydrophobicContact SD-CB 4.3Å; A225-D229 WeakPolarHBondContact CA-OD2 3.22Å; A225-V252 HydrophobicContact CB-CG1 4.32Å; A225-V252 HydrophobicContact CB-CG2 4.18Å
226V78.6Confident83.5Confident54 Ų5442.9 Ų42.933%0.32723%0.229SC..  trans-120.1159.4178-67.20000110.5S228 D229V226-S228 VanDerWaalsContact CG2-OG 3.23Å; V226-S228 WeakPolarHBondContact CG2-OG 3.37Å; V226-S228 PolarHBondContact O-N 3.16Å; V226-D229 VanDerWaalsContact CG2-OD2 3.22Å; V226-D229 WeakPolarHBondContact CG2-OD2 3.41Å; V226-D229 PolarHBondContact N-OD2 3.28Å; V226-D229 VanDerWaalsContact O-CB 3.32Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.8Å
227P76.1Confident84.6Confident54 Ų5433.6 Ų33.635%0.35119%0.186SC..G310 helixtrans-54.9-26.2-179.2-29.837.4000115.4D229 R230 E254P227-D229 PolarHBondContact O-N 3.47Å; P227-R230 VanDerWaalsContact O-CG 3.28Å; P227-R230 WeakPolarHBondContact O-CG 3.5Å; P227-R230 PolarHBondContact O-N 2.98Å; P227-E254 HydrophobicContact CG-CG 4.17Å
228S77.2Confident85.5Confident95 Ų9532.8 Ų32.866%0.66418%0.183SC*.G310 helixtrans-73.9-7.7174.356.70000114.8K197 V226K197-S228 PolarHBondContact NZ-O 3.04Å; V226-S228 VanDerWaalsContact CG2-OG 3.23Å; V226-S228 WeakPolarHBondContact CG2-OG 3.37Å; V226-S228 PolarHBondContact O-N 3.16Å
229D82.3Confident85.8Confident4 Ų431.9 Ų31.92%0.02118%0.181CC..G310 helixtrans-80.1-17.5174.8-66.3-49.6000113.5K197 R207 M222 A225 V226 P227 Y233 L250 V252K197-D229 PolarHBondContact NZ-O 3.28Å; R207-D229 WeakPolarHBondContact CD-OD1 3.08Å; R207-D229 IonicContact CZ-OD1 3.16Å; R207-D229 IonicContact CZ-OD2 2.9Å; R207-D229 IonicContact NE-OD1 2.64Å; R207-D229 PolarHBondContact NE-OD1 3.22Å; R207-D229 IonicContact NE-OD2 3.34Å; R207-D229 IonicContact NH1-OD1 2.84Å; R207-D229 PolarHBondContact NH1-OD1 3.04Å; R207-D229 IonicContact NH1-OD2 3.49Å; R207-D229 PolarHBondContact NH1-OD2 2.65Å; R207-D229 IonicContact NH2-OD2 3.85Å; R207-D229 PolarHBondContact NH2-OD2 2.02Å; M222-D229 HydrophobicContact CE-CB 3.96Å; M222-D229 HydrophobicContact SD-CB 3.68Å; A225-D229 WeakPolarHBondContact CA-OD2 3.22Å; V226-D229 VanDerWaalsContact CG2-OD2 3.22Å; V226-D229 WeakPolarHBondContact CG2-OD2 3.41Å; V226-D229 PolarHBondContact N-OD2 3.28Å; V226-D229 VanDerWaalsContact O-CB 3.32Å; V226-D229 WeakPolarHBondContact O-CB 3.46Å; V226-D229 PolarHBondContact O-N 2.8Å; P227-D229 PolarHBondContact O-N 3.47Å; D229-Y233 WeakPolarHBondContact O-CE2 3.15Å; D229-Y233 PolarHBondContact O-OH 2.88Å; D229-L250 HydrophobicContact CB-CD2 4Å; D229-V252 HydrophobicContact CB-CG2 4.34Å
230R86.4Confident85.9Confident101 Ų10139 Ų3938%0.38121%0.212SC..  trans-46.9139.9179.3-69.3-179.9-170.5157.28.7111.4P227 L250 D251 V252 E254P227-R230 VanDerWaalsContact O-CG 3.28Å; P227-R230 WeakPolarHBondContact O-CG 3.5Å; P227-R230 PolarHBondContact O-N 2.98Å; R230-L250 WeakPolarHBondContact CA-O 3.32Å; R230-D251 WeakPolarHBondContact CD-OD1 3.36Å; R230-D251 IonicContact NE-OD1 2.69Å; R230-D251 PolarHBondContact NE-OD1 2.8Å; R230-V252 HydrophobicContact CG-CB 4.05Å; R230-V252 HydrophobicContact CG-CG2 4.16Å; R230-V252 VanDerWaalsContact CZ-O 3.26Å; R230-V252 PolarHBondContact NE-O 3.26Å; R230-V252 PolarHBondContact NH2-O 2.97Å; R230-E254 IonicContact NH2-OE1 3.4Å; R230-E254 PolarHBondContact NH2-OE1 3.15Å
231G88.9Confident86Confident16 Ų1644.3 Ų44.317%0.16523%0.233CC..EExtended strand (participates in β ladder)trans143.1-177.7-179.600000114.1N198 Y233 L250N198-G231 WeakPolarHBondContact OD1-CA 3.41Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; G231-L250 PolarHBondContact N-O 3.1Å; G231-L250 VanDerWaalsContact N-O 3.1Å; G231-L250 PolarHBondContact O-N 3.18Å
232N91.8Very high86.1Confident69 Ų6944.9 Ų44.937%0.36924%0.241SC..EExtended strand (participates in β ladder)trans-95.9123.2-175.7-65.4-9.1000110.4K197 N198 T247 Y248K197-N232 CarbonylContact C-O 3.59Å; K197-N232 WeakPolarHBondContact CA-O 3.4Å; N198-N232 PolarHBondContact N-O 2.86Å; N198-N232 PolarHBondContact OD1-N 2.84Å; N232-T247 HydrophobicContact CB-CG2 3.93Å; N232-Y248 CarbonylContact C-O 3.59Å; N232-Y248 VanDerWaalsContact CA-O 3.22Å; N232-Y248 WeakPolarHBondContact CA-O 3.36Å
233Y91.8Very high86.6Confident0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-108.6107.9177.4-67.2-93.8000109.2F181 L196 K197 F202 L220 M222 D229 G231 Y248 L250F181-Y233 HydrophobicContact CD2-CD1 4.5Å; F181-Y233 HydrophobicContact CD2-CG 4.11Å; F181-Y233 AromaticContact CE2-CD1 3.91Å; F181-Y233 HydrophobicContact CE2-CD1 3.91Å; F181-Y233 AromaticContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CD2 3.62Å; F181-Y233 HydrophobicContact CE2-CE2 4.27Å; F181-Y233 AromaticContact CE2-CG 3.42Å; F181-Y233 HydrophobicContact CE2-CG 3.42Å; F181-Y233 VanDerWaalsContact CE2-CG 3.42Å; F181-Y233 AromaticContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CD2 3.66Å; F181-Y233 HydrophobicContact CZ-CE2 4.32Å; F181-Y233 AromaticContact CZ-CG 3.92Å; F181-Y233 HydrophobicContact CZ-CG 3.92Å; L196-Y233 CarbonylContact O-C 3.44Å; L196-Y233 WeakPolarHBondContact O-CA 3.05Å; K197-Y233 HydrophobicContact CB-CD1 4.28Å; K197-Y233 HydrophobicContact CB-CE1 4.04Å; K197-Y233 HydrophobicContact CD-CE1 3.81Å; K197-Y233 WeakPolarHBondContact CD-OH 3.25Å; K197-Y233 WeakPolarHBondContact CE-OH 3.48Å; K197-Y233 HydrophobicContact CG-CD1 4.39Å; K197-Y233 HydrophobicContact CG-CE1 3.85Å; K197-Y233 PolarHBondContact NZ-OH 3.05Å; F202-Y233 HydrophobicContact CD1-CE1 4.39Å; F202-Y233 HydrophobicContact CE1-CD1 4.46Å; F202-Y233 AromaticContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE1-CE1 3.97Å; F202-Y233 HydrophobicContact CE2-CE1 4.4Å; F202-Y233 AromaticContact CZ-CE1 3.96Å; F202-Y233 HydrophobicContact CZ-CE1 3.96Å; L220-Y233 HydrophobicContact CD1-CD1 4.21Å; M222-Y233 HydrophobicContact CE-CE1 4.02Å; M222-Y233 HydrophobicContact CE-CE2 4.46Å; M222-Y233 WeakPolarHBondContact CE-OH 3.16Å; D229-Y233 WeakPolarHBondContact O-CE2 3.15Å; D229-Y233 PolarHBondContact O-OH 2.88Å; G231-Y233 WeakPolarHBondContact O-CD2 3.43Å; Y233-Y248 PolarHBondContact N-O 2.74Å; Y233-Y248 PolarHBondContact O-N 2.93Å; Y233-L250 HydrophobicContact CD2-CB 4Å; Y233-L250 HydrophobicContact CE2-CB 3.86Å; Y233-L250 HydrophobicContact CE2-CD2 3.83Å; Y233-L250 HydrophobicContact CE2-CG 4.5Å
234T92.4Very high87.2Confident20 Ų2047.8 Ų47.812%0.12326%0.261CS..EExtended strand (participates in β ladder)trans-101123.6179.1-52.60000109.2W195 L196 V236 H246 T247W195-T234 CarbonylContact C-O 3.55Å; W195-T234 WeakPolarHBondContact CA-O 3.48Å; L196-T234 PolarHBondContact N-O 3.1Å; L196-T234 PolarHBondContact O-N 2.93Å; T234-V236 HydrophobicContact CG2-CG2 4.13Å; T234-H246 CarbonylContact C-O 3.58Å; T234-H246 VanDerWaalsContact CA-O 3.28Å; T234-H246 WeakPolarHBondContact CA-O 3.48Å; T234-T247 WeakPolarHBondContact CG2-OG1 3.28Å; T234-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T234-T247 PolarHBondContact OG1-OG1 3.18Å
235C92.4Very high88.2Confident0 Ų048.4 Ų48.40%027%0.265CS..EExtended strand (participates in β ladder)trans-88.3140163.455.20000109.3C183 I193 H194 W195 S245 H246C183-C235 HydrophobicContact CB-CB 3.64Å; C183-C235 WeakPolarHBondContact CB-SG 3.38Å; C183-C235 WeakPolarHBondContact SG-CB 3.34Å; C183-C235 CovalentContact SG-SG 2.02Å; C183-C235 PolarHBondContact SG-SG 3.06Å; I193-C235 HydrophobicContact CD1-CB 4.14Å; I193-C235 HydrophobicContact CG1-CB 4.5Å; H194-C235 WeakPolarHBondContact O-CA 3.29Å; W195-C235 HydrophobicContact CD2-CB 4.01Å; W195-C235 HydrophobicContact CE3-CB 3.85Å; W195-C235 HydrophobicContact CH2-CB 3.63Å; W195-C235 HydrophobicContact CZ2-CB 3.79Å; W195-C235 HydrophobicContact CZ3-CB 3.67Å; C235-S245 CarbonylContact O-C 3.56Å; C235-S245 WeakPolarHBondContact O-CA 3.48Å; C235-S245 VanDerWaalsContact O-CB 3.25Å; C235-S245 WeakPolarHBondContact O-CB 3.47Å; C235-H246 PolarHBondContact N-O 2.75Å; C235-H246 PolarHBondContact O-N 3.05Å; C235-H246 PolarHBondContact SG-O 3.25Å; C235-H246 VanDerWaalsContact SG-O 3.35Å
236V93.1Very high88.9Confident18 Ų1849.6 Ų49.611%0.10927%0.271CS..EExtended strand (participates in β ladder)trans-126.1127.8176.3-176.80000107.2I193 H194 L196 T234 T243I193-V236 CarbonylContact C-O 3.5Å; I193-V236 WeakPolarHBondContact CA-O 3.12Å; H194-V236 VanDerWaalsContact CE1-CG1 3.41Å; H194-V236 WeakPolarHBondContact CE1-CG1 3.33Å; H194-V236 PolarHBondContact N-O 2.76Å; H194-V236 WeakPolarHBondContact NE2-CB 3.38Å; H194-V236 PolarHBondContact O-N 3.04Å; L196-V236 HydrophobicContact CD1-CG2 3.95Å; L196-V236 HydrophobicContact CG-CG2 4.25Å; T234-V236 HydrophobicContact CG2-CG2 4.13Å; V236-T243 HydrophobicContact CG1-CG2 3.65Å
237V92.8Very high89.6Confident0 Ų049.8 Ų49.80%027%0.272CS..EExtended strand (participates in β ladder)trans-125.9126.9-175.8176.10000109.3P158 W160 A185 P191 T192 I193 W218 T243 I244P158-V237 HydrophobicContact CB-CG1 4.24Å; W160-V237 HydrophobicContact CH2-CB 4.31Å; W160-V237 HydrophobicContact CH2-CG2 3.88Å; W160-V237 HydrophobicContact CZ3-CB 4.41Å; W160-V237 HydrophobicContact CZ3-CG2 3.81Å; A185-V237 HydrophobicContact CB-CB 4.42Å; A185-V237 HydrophobicContact CB-CG1 3.77Å; A185-V237 HydrophobicContact CB-CG2 4.33Å; P191-V237 HydrophobicContact CB-CG1 3.58Å; P191-V237 HydrophobicContact CG-CG1 3.82Å; T192-V237 CarbonylContact O-C 3.52Å; T192-V237 VanDerWaalsContact O-CA 3.25Å; T192-V237 WeakPolarHBondContact O-CA 3.49Å; I193-V237 HydrophobicContact CB-CG2 3.97Å; I193-V237 HydrophobicContact CD1-CG2 4.13Å; I193-V237 HydrophobicContact CG1-CG2 3.88Å; W218-V237 HydrophobicContact CE3-CG2 4.23Å; W218-V237 HydrophobicContact CH2-CG1 4.15Å; W218-V237 HydrophobicContact CZ3-CB 4.42Å; W218-V237 HydrophobicContact CZ3-CG1 3.66Å; W218-V237 HydrophobicContact CZ3-CG2 3.85Å; V237-T243 CarbonylContact O-C 3.57Å; V237-T243 VanDerWaalsContact O-CA 3.29Å; V237-T243 WeakPolarHBondContact O-CA 3.22Å; V237-I244 HydrophobicContact CB-CD1 4.4Å; V237-I244 HydrophobicContact CB-CG1 3.82Å; V237-I244 HydrophobicContact CG1-CG1 4.32Å; V237-I244 PolarHBondContact N-O 2.69Å; V237-I244 PolarHBondContact O-N 3.4Å
238Q92.3Very high90.3Very high78 Ų7847.6 Ų47.636%0.36426%0.257SS..EExtended strand (participates in β ladder)trans-143142.9-170.466.3-171.118.700113.9P191 T192 G242 T243P191-Q238 CarbonylContact C-O 3.51Å; P191-Q238 WeakPolarHBondContact CA-O 3.38Å; P191-Q238 WeakPolarHBondContact CB-O 3.3Å; T192-Q238 PolarHBondContact N-O 3.02Å; T192-Q238 PolarHBondContact O-N 2.85Å; T192-Q238 WeakPolarHBondContact OG1-CG 3.32Å; T192-Q238 PolarHBondContact OG1-O 2.84Å; Q238-G242 WeakPolarHBondContact CA-O 3.49Å; Q238-T243 HydrophobicContact CB-CG2 4.09Å; Q238-T243 WeakPolarHBondContact CB-OG1 3.12Å
239N91.6Very high91Very high26 Ų2648.1 Ų48.114%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-131.5-172.7163.574.68.8000110E156 P158 P189 P191 Y241 G242E156-N239 PolarHBondContact O-ND2 2.84Å; P158-N239 WeakPolarHBondContact CD-OD1 3.41Å; P189-N239 VanDerWaalsContact O-CB 3.27Å; P189-N239 WeakPolarHBondContact O-CB 3.47Å; P189-N239 PolarHBondContact O-ND2 3.02Å; P191-N239 HydrophobicContact CB-CB 4.04Å; N239-Y241 PolarHBondContact O-N 3.44Å; N239-Y241 VanDerWaalsContact O-N 3.17Å; N239-Y241 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y241 PolarHBondContact OD1-N 3.41Å; N239-G242 PolarHBondContact N-O 2.79Å; N239-G242 PolarHBondContact OD1-N 3.31Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å
240K88.4Confident91.3Very high149 Ų14948.1 Ų48.165%0.64825%0.249SC*.THydrogen-bonded Turntrans-63.5-15.4179.456.2160.6164.3161.80115.1P189P189-K240 VanDerWaalsContact CD-CE 3.41Å; P189-K240 HydrophobicContact CG-CD 4.22Å; P189-K240 HydrophobicContact CG-CG 4.04Å
241Y87.6Confident91.2Very high113 Ų11345.9 Ų45.944%0.44325%0.245SC..THydrogen-bonded Turntrans-109.1-13-175.2-61.2-57.7000114.2A155 N188 N239A155-Y241 HydrophobicContact CB-CD2 4.38Å; A155-Y241 HydrophobicContact CB-CE1 4.48Å; A155-Y241 HydrophobicContact CB-CE2 3.74Å; N188-Y241 VanDerWaalsContact O-CD2 3.27Å; N188-Y241 WeakPolarHBondContact O-CD2 3.37Å; N188-Y241 WeakPolarHBondContact O-CE2 3.49Å; N239-Y241 PolarHBondContact O-N 3.44Å; N239-Y241 VanDerWaalsContact O-N 3.17Å; N239-Y241 WeakPolarHBondContact OD1-CA 3.37Å; N239-Y241 PolarHBondContact OD1-N 3.41Å
242G89Confident90.8Very high22 Ų2245.1 Ų45.123%0.22724%0.237CC..EExtended strand (participates in β ladder)trans-178.8179.8176.200000115.7P158 Q238 N239P158-G242 WeakPolarHBondContact CG-O 3.17Å; Q238-G242 WeakPolarHBondContact CA-O 3.49Å; N239-G242 PolarHBondContact N-O 2.79Å; N239-G242 PolarHBondContact OD1-N 3.31Å; N239-G242 VanDerWaalsContact OD1-N 3.1Å
243T94Very high89.8Confident87 Ų8745.7 Ų45.753%0.53424%0.239SC..EExtended strand (participates in β ladder)trans-144.7130.8178-60.60000110.2V236 V237 Q238V236-T243 HydrophobicContact CG1-CG2 3.65Å; V237-T243 CarbonylContact O-C 3.57Å; V237-T243 VanDerWaalsContact O-CA 3.29Å; V237-T243 WeakPolarHBondContact O-CA 3.22Å; Q238-T243 HydrophobicContact CB-CG2 4.09Å; Q238-T243 WeakPolarHBondContact CB-OG1 3.12Å
244I93.9Very high88Confident36 Ų3651.9 Ų51.919%0.18527%0.268CS..EExtended strand (participates in β ladder)trans-119.7151.8174.361179.5000110P158 W160 A185 V237P158-I244 HydrophobicContact CB-CD1 4.14Å; P158-I244 HydrophobicContact CB-CG1 4.26Å; P158-I244 HydrophobicContact CG-CG1 4.34Å; P158-I244 HydrophobicContact CG-CG2 4.42Å; P158-I244 WeakPolarHBondContact O-CG2 2.91Å; W160-I244 HydrophobicContact CD2-CD1 3.59Å; W160-I244 HydrophobicContact CD2-CG1 4.42Å; W160-I244 HydrophobicContact CE3-CD1 3.72Å; W160-I244 HydrophobicContact CG-CD1 4.17Å; W160-I244 HydrophobicContact CH2-CD1 3.86Å; W160-I244 HydrophobicContact CH2-CG1 3.77Å; W160-I244 HydrophobicContact CZ2-CB 3.9Å; W160-I244 HydrophobicContact CZ2-CD1 3.74Å; W160-I244 HydrophobicContact CZ2-CG1 3.62Å; W160-I244 HydrophobicContact CZ3-CD1 3.84Å; W160-I244 HydrophobicContact CZ3-CG1 4.22Å; A185-I244 HydrophobicContact CB-CD1 4.12Å; V237-I244 HydrophobicContact CB-CD1 4.4Å; V237-I244 HydrophobicContact CB-CG1 3.82Å; V237-I244 HydrophobicContact CG1-CG1 4.32Å; V237-I244 PolarHBondContact N-O 2.69Å; V237-I244 PolarHBondContact O-N 3.4Å
245S93.2Very high86.3Confident74 Ų7458.2 Ų58.252%0.51729%0.29SS..EExtended strand (participates in β ladder)trans-145.2152.8176.364.30000112.6C235C235-S245 CarbonylContact O-C 3.56Å; C235-S245 WeakPolarHBondContact O-CA 3.48Å; C235-S245 VanDerWaalsContact O-CB 3.25Å; C235-S245 WeakPolarHBondContact O-CB 3.47Å
246H93Very high83.9Confident26 Ų2663.3 Ų63.312%0.1233%0.325CS..EExtended strand (participates in β ladder)trans-142139.8176.5-178.699.5000109.8W160 M166 T234 C235 Y248W160-H246 HydrophobicContact CH2-CB 4.37Å; W160-H246 HydrophobicContact CZ2-CB 3.87Å; M166-H246 HydrophobicContact CE-CB 3.34Å; M166-H246 PolarHBondContact O-CE1 3.27Å; M166-H246 PolarHBondContact O-NE2 2.97Å; T234-H246 CarbonylContact C-O 3.58Å; T234-H246 VanDerWaalsContact CA-O 3.28Å; T234-H246 WeakPolarHBondContact CA-O 3.48Å; C235-H246 PolarHBondContact N-O 2.75Å; C235-H246 PolarHBondContact O-N 3.05Å; C235-H246 PolarHBondContact SG-O 3.25Å; C235-H246 VanDerWaalsContact SG-O 3.35Å; H246-Y248 AromaticContact CD2-CD2 3.94Å; H246-Y248 AromaticContact CD2-CE2 3.66Å; H246-Y248 AromaticContact CD2-CZ 3.76Å; H246-Y248 AromaticContact NE2-CE1 3.75Å; H246-Y248 AromaticContact NE2-CZ 3.82Å
247T92.6Very high82Confident58 Ų5866.2 Ų66.236%0.35635%0.345SS..EExtended strand (participates in β ladder)trans-118.4122.2-175.3-59.30000111.6N232 T234N232-T247 HydrophobicContact CB-CG2 3.93Å; T234-T247 WeakPolarHBondContact CG2-OG1 3.28Å; T234-T247 WeakPolarHBondContact OG1-CG2 3.37Å; T234-T247 PolarHBondContact OG1-OG1 3.18Å
248Y92.2Very high80.6Confident8 Ų869.2 Ų69.23%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-93.8144166.7-64.1-79.1000110.7K168 K169 L171 F181 R182 W195 N232 Y233 H246K168-Y248 WeakPolarHBondContact O-CD1 3.36Å; K169-Y248 CarbonylContact O-C 3.55Å; K169-Y248 WeakPolarHBondContact O-CA 3.27Å; L171-Y248 HydrophobicContact CD1-CD1 3.71Å; L171-Y248 HydrophobicContact CD1-CE1 4.27Å; F181-Y248 HydrophobicContact CB-CD2 3.7Å; F181-Y248 HydrophobicContact CB-CE2 3.72Å; F181-Y248 HydrophobicContact CB-CG 4.42Å; F181-Y248 HydrophobicContact CD1-CD1 4.02Å; F181-Y248 AromaticContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CD2 3.61Å; F181-Y248 HydrophobicContact CD1-CE2 4.24Å; F181-Y248 AromaticContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CD1-CG 3.45Å; F181-Y248 VanDerWaalsContact CD1-CG 3.45Å; F181-Y248 HydrophobicContact CE1-CG 4.04Å; F181-Y248 AromaticContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CD2 3.83Å; F181-Y248 HydrophobicContact CG-CE2 4.33Å; F181-Y248 HydrophobicContact CG-CG 4.16Å; R182-Y248 PolarHBondContact O-OH 2.9Å; W195-Y248 HydrophobicContact CH2-CE2 4.49Å; W195-Y248 HydrophobicContact CZ3-CD2 4.39Å; N232-Y248 CarbonylContact C-O 3.59Å; N232-Y248 VanDerWaalsContact CA-O 3.22Å; N232-Y248 WeakPolarHBondContact CA-O 3.36Å; Y233-Y248 PolarHBondContact N-O 2.74Å; Y233-Y248 PolarHBondContact O-N 2.93Å; H246-Y248 AromaticContact CD2-CD2 3.94Å; H246-Y248 AromaticContact CD2-CE2 3.66Å; H246-Y248 AromaticContact CD2-CZ 3.76Å; H246-Y248 AromaticContact NE2-CE1 3.75Å; H246-Y248 AromaticContact NE2-CZ 3.82Å
249Q91Very high79.9Confident105 Ų10573 Ų7349%0.49137%0.37SS..EExtended strand (participates in β ladder)trans-105.4119.1168.3-179176.4-4.100108K169 L170 L171K169-Q249 PolarHBondContact O-N 2.88Å; L170-Q249 HydrophobicContact CD1-CB 3.96Å; L170-Q249 HydrophobicContact CD1-CG 3.67Å; L171-Q249 PolarHBondContact N-O 3.29Å
250L89.1Confident79.4Confident4 Ų471.9 Ų71.92%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-97.6119.8175.5-17859.7000110L171 V173 V179 F181 M222 D229 R230 G231 Y233 V252L171-L250 HydrophobicContact CB-CD1 4.32Å; V173-L250 HydrophobicContact CG2-CD1 3.84Å; V179-L250 HydrophobicContact CG1-CD1 3.99Å; V179-L250 HydrophobicContact CG2-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD2 4.5Å; F181-L250 HydrophobicContact CZ-CB 4.07Å; F181-L250 HydrophobicContact CZ-CD1 4.44Å; F181-L250 HydrophobicContact CZ-CD2 4.22Å; F181-L250 HydrophobicContact CZ-CG 4.47Å; M222-L250 HydrophobicContact CE-CD2 4.23Å; M222-L250 HydrophobicContact SD-CD2 4Å; D229-L250 HydrophobicContact CB-CD2 4Å; R230-L250 WeakPolarHBondContact CA-O 3.32Å; G231-L250 PolarHBondContact N-O 3.1Å; G231-L250 VanDerWaalsContact N-O 3.1Å; G231-L250 PolarHBondContact O-N 3.18Å; Y233-L250 HydrophobicContact CD2-CB 4Å; Y233-L250 HydrophobicContact CE2-CB 3.86Å; Y233-L250 HydrophobicContact CE2-CD2 3.83Å; Y233-L250 HydrophobicContact CE2-CG 4.5Å; L250-V252 HydrophobicContact CD1-CG2 4.31Å; L250-V252 HydrophobicContact CD2-CG2 4.12Å; L250-V252 HydrophobicContact CG-CG2 3.97Å
251D83.3Confident78.9Confident55 Ų5569 Ų6929%0.29435%0.354SS..EExtended strand (participates in β ladder)trans-108.5136161.8-169.318000110L171 A172 V173 R230L171-D251 PolarHBondContact O-N 2.87Å; A172-D251 WeakPolarHBondContact CA-O 3.3Å; A172-D251 HydrophobicContact CB-CB 4.46Å; V173-D251 PolarHBondContact N-O 3.44Å; R230-D251 WeakPolarHBondContact CD-OD1 3.36Å; R230-D251 IonicContact NE-OD1 2.69Å; R230-D251 PolarHBondContact NE-OD1 2.8Å
252V81.9Confident78.7Confident0 Ų064.3 Ų64.30%034%0.337CS..EExtended strand (participates in β ladder)trans-115.7100.4-179.5-175.70000107.5V173 A175 A225 D229 R230 L250V173-V252 HydrophobicContact CG2-CG2 4.18Å; V173-V252 CarbonylContact O-C 3.55Å; V173-V252 VanDerWaalsContact O-CA 3.29Å; V173-V252 WeakPolarHBondContact O-CA 3.45Å; A175-V252 HydrophobicContact CB-CG1 4.17Å; A225-V252 HydrophobicContact CB-CG1 4.32Å; A225-V252 HydrophobicContact CB-CG2 4.18Å; D229-V252 HydrophobicContact CB-CG2 4.34Å; R230-V252 HydrophobicContact CG-CB 4.05Å; R230-V252 HydrophobicContact CG-CG2 4.16Å; R230-V252 VanDerWaalsContact CZ-O 3.26Å; R230-V252 PolarHBondContact NE-O 3.26Å; R230-V252 PolarHBondContact NH2-O 2.97Å; L250-V252 HydrophobicContact CD1-CG2 4.31Å; L250-V252 HydrophobicContact CD2-CG2 4.12Å; L250-V252 HydrophobicContact CG-CG2 3.97Å
253L69.1Low78.4Confident81 Ų8166.5 Ų66.542%0.42434%0.341SS..EExtended strand (participates in β ladder)trans-70.1130.8178.5-58.1177.8000109.6A172 V173 P174 A175A172-L253 HydrophobicContact CB-CD1 4.15Å; A172-L253 HydrophobicContact CB-CG 4.34Å; V173-L253 PolarHBondContact O-N 3.4Å; P174-L253 CarbonylContact C-O 3.54Å; P174-L253 WeakPolarHBondContact CA-O 3.19Å; A175-L253 PolarHBondContact N-O 2.9Å
254E55.4Low77.4Confident129 Ų12966.5 Ų66.560%0.60335%0.35SS*.PPolyproline II helixtrans-68.3149.1166.2-75.2151.7-136.700109.2P227 R230P227-E254 HydrophobicContact CG-CG 4.17Å; R230-E254 IonicContact NH2-OE1 3.4Å; R230-E254 PolarHBondContact NH2-OE1 3.15Å
255R55.5Low76.5Confident153 Ų15367.7 Ų67.758%0.57737%0.371SS*.PPolyproline II helixtrans-64.8139.2-179.5-73-173.7175.5-154.7-2.4109.9P257R255-P257 WeakPolarHBondContact O-CD 3.21Å
256S42.4Very low76.3Confident107 Ų10765.6 Ų65.675%0.74835%0.354SS*.PPolyproline II helixtrans-58.3116.5178-54.10000110.3H258S256-H258 PolarHBondContact O-N 3.36Å
257P53.3Low76.1Confident79 Ų7964.8 Ų64.851%0.51335%0.351SS..PPolyproline II helixtrans-71.1128.8-174.829.9-35.8000110.2R255 I352R255-P257 WeakPolarHBondContact O-CD 3.21Å; P257-I352 HydrophobicContact CB-CD1 3.93Å; P257-I352 HydrophobicContact CB-CG1 3.9Å; P257-I352 HydrophobicContact CG-CD1 3.83Å; P257-I352 HydrophobicContact CG-CG1 4.33Å
258H62.8Low76Confident64 Ų6464.2 Ų64.230%0.29635%0.352SS..  trans-110.2158.2179.963.977.9000111.5S256 I261 D287 N350S256-H258 PolarHBondContact O-N 3.36Å; H258-I261 VanDerWaalsContact CE1-CD1 3.43Å; H258-I261 WeakPolarHBondContact CE1-CD1 3.44Å; H258-D287 IonicContact CD2-OD2 2.6Å; H258-D287 IonicContact NE2-OD2 2.62Å; H258-N350 PolarHBondContact O-ND2 3.46Å
259R77.6Confident76.1Confident157 Ų15769.5 Ų69.559%0.59238%0.381SS*.  trans-60.8154.5168.174.3-176.1-174.6-78-5.1110.3
260P81.1Confident76.1Confident2 Ų267.4 Ų67.41%0.01337%0.371CS..  trans-58144.4-174.3-23.435.7000112.3V284 P290 A348 N350 G353 A355P260-V284 HydrophobicContact CB-CG1 3.82Å; P260-P290 HydrophobicContact CG-CB 4.47Å; P260-A348 HydrophobicContact CB-CB 3.92Å; P260-A348 HydrophobicContact CG-CB 4.33Å; P260-N350 VanDerWaalsContact CD-CG 3.49Å; P260-N350 HydrophobicContact CG-CB 3.89Å; P260-G353 WeakPolarHBondContact CD-O 3.46Å; P260-A355 WeakPolarHBondContact O-CB 3.16Å
261I79.1Confident76.4Confident89 Ų8971.4 Ų71.446%0.45640%0.396SS..EExtended strand (participates in β ladder)trans-107.7118.7178.7-61.3173.1000108.1H258 Y285H258-I261 VanDerWaalsContact CE1-CD1 3.43Å; H258-I261 WeakPolarHBondContact CE1-CD1 3.44Å; I261-Y285 PolarHBondContact N-O 2.98Å; I261-Y285 PolarHBondContact O-N 2.83Å
262L83.5Confident76.8Confident14 Ų1469.8 Ų69.87%0.07339%0.388CS..EExtended strand (participates in β ladder)trans-86140.4174.3-59.6-173.3000110.6A264 K283 V284 A348 A355 Y356 H357L262-A264 PolarHBondContact O-N 2.85Å; L262-K283 WeakPolarHBondContact CA-O 3.38Å; L262-V284 HydrophobicContact CD2-CB 4.31Å; L262-V284 HydrophobicContact CD2-CG1 4.2Å; L262-V284 HydrophobicContact CD2-CG2 3.63Å; L262-A348 HydrophobicContact CD2-CB 3.76Å; L262-A355 HydrophobicContact CD1-CB 4.49Å; L262-A355 HydrophobicContact CG-CB 4.18Å; L262-Y356 VanDerWaalsContact CD1-C 3.4Å; L262-Y356 VanDerWaalsContact CD1-CA 3.5Å; L262-H357 HydrophobicContact CD1-CB 4.01Å
263Q81.6Confident77.2Confident69 Ų6972.6 Ų72.632%0.32241%0.405SS..PPolyproline II helixtrans-61.8126.4173.9-173172.5-48.300110.9G265 L266 K283 Y285 H357Q263-G265 PolarHBondContact O-N 3.2Å; Q263-L266 HydrophobicContact CB-CD1 4.24Å; Q263-L266 HydrophobicContact CG-CD1 4.26Å; Q263-L266 PolarHBondContact O-N 3.26Å; Q263-K283 HydrophobicContact CB-CB 3.9Å; Q263-K283 PolarHBondContact N-O 2.85Å; Q263-K283 VanDerWaalsContact OE1-CD 3.27Å; Q263-Y285 HydrophobicContact CB-CE2 4.17Å; Q263-Y285 PolarHBondContact OE1-OH 3.39Å; Q263-H357 PolarHBondContact O-ND1 2.86Å
264A74.6Confident78.3Confident87 Ų8771.3 Ų71.372%0.71940%0.4SS*.THydrogen-bonded Turntrans-59.5135.917800000112L262 L266L262-A264 PolarHBondContact O-N 2.85Å; A264-L266 VanDerWaalsContact C-N 3.32Å
265G75.3Confident79.9Confident60 Ų6066.9 Ų66.962%0.61939%0.39SS*.THydrogen-bonded Turntrans78.79.2-177.100000115Q263Q263-G265 PolarHBondContact O-N 3.2Å
266L87Confident81.6Confident31 Ų3161.9 Ų61.916%0.16238%0.378CS..  trans-124.7135.5172-70.6-176.2000110.9Q263 A264 H281 K283 H357Q263-L266 HydrophobicContact CB-CD1 4.24Å; Q263-L266 HydrophobicContact CG-CD1 4.26Å; Q263-L266 PolarHBondContact O-N 3.26Å; A264-L266 VanDerWaalsContact C-N 3.32Å; L266-H281 WeakPolarHBondContact CB-O 3.36Å; L266-H281 HydrophobicContact CD1-CB 4.37Å; L266-H281 HydrophobicContact CD2-CB 4.34Å; L266-K283 HydrophobicContact CD1-CB 4.46Å; L266-K283 HydrophobicContact CD1-CD 4.21Å; L266-K283 HydrophobicContact CD1-CG 4.22Å; L266-H357 WeakPolarHBondContact O-CB 3.12Å; L266-H357 PolarHBondContact O-ND1 3.37Å
267P90.6Very high84Confident8 Ų861.1 Ų61.15%0.05237%0.366CS..SBendcis-61.6157.2-10.826.9-35.1000113.1F280 H281 W294 A359P267-F280 HydrophobicContact CB-CB 4.2Å; P267-F280 HydrophobicContact CB-CD1 3.95Å; P267-H281 WeakPolarHBondContact CA-O 3.38Å; P267-W294 HydrophobicContact CB-CH2 3.94Å; P267-W294 HydrophobicContact CB-CZ3 4.11Å; P267-W294 HydrophobicContact CG-CH2 4.1Å; P267-W294 HydrophobicContact CG-CZ3 3.96Å; P267-A359 HydrophobicContact CB-CB 3.62Å; P267-A359 HydrophobicContact CG-CB 3.76Å
268A90.3Very high85.8Confident47 Ų4757.6 Ų57.639%0.38834%0.342SS..  trans-106.1146.6177.400000110.5F280 A359A268-F280 WeakPolarHBondContact O-CE1 3.46Å; A268-A359 WeakPolarHBondContact O-CB 3.28Å
269N93.2Very high87.3Confident118 Ų11858.8 Ų58.863%0.63135%0.348SS*.  trans-59.7138.8174.3-64.8-11000110.7A359 W360N269-A359 WeakPolarHBondContact OD1-CA 3.36Å; N269-W360 WeakPolarHBondContact CA-O 3.43Å; N269-W360 PolarHBondContact OD1-N 3.44Å
270Q92.4Very high88Confident61 Ų6151.3 Ų51.329%0.28532%0.32SS..EExtended strand (participates in β ladder)trans-131.8148.7-178.3-73.5-173.985.600111.9V278 E279 F280 W360 L361 T362Q270-V278 HydrophobicContact CB-CG2 4.1Å; Q270-V278 VanDerWaalsContact CD-CG2 3.49Å; Q270-V278 HydrophobicContact CG-CG2 4.41Å; Q270-E279 PolarHBondContact NE2-O 3.23Å; Q270-F280 HydrophobicContact CB-CE1 4.26Å; Q270-F280 HydrophobicContact CB-CZ 4.37Å; Q270-F280 HydrophobicContact CG-CE1 4.26Å; Q270-W360 PolarHBondContact N-O 3.36Å; Q270-L361 HydrophobicContact CB-CD1 4.26Å; Q270-T362 PolarHBondContact O-N 2.83Å
271T93.6Very high88.5Confident88 Ų8854.9 Ų54.954%0.5434%0.336SS..EExtended strand (participates in β ladder)trans-128.9119.9176.7-580000108.4T362 L364T271-T362 CarbonylContact C-O 3.51Å; T271-T362 VanDerWaalsContact CA-O 3.28Å; T271-T362 WeakPolarHBondContact CA-O 3.4Å; T271-T362 HydrophobicContact CG2-CG2 4.08Å; T271-L364 HydrophobicContact CG2-CD1 3.57Å; T271-L364 HydrophobicContact CG2-CD2 4.36Å; T271-L364 HydrophobicContact CG2-CG 3.73Å
272V91.7Very high88.9Confident21 Ų2150.7 Ų50.713%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-130.7162.4-175.2-58.20000110.9V278 V336 L361 T362 V363 L364V272-V278 HydrophobicContact CG1-CB 4.14Å; V272-V278 HydrophobicContact CG1-CG2 4Å; V272-V336 HydrophobicContact CG2-CB 4.22Å; V272-V336 HydrophobicContact CG2-CG1 3.82Å; V272-L361 HydrophobicContact CG2-CD1 3.97Å; V272-T362 PolarHBondContact N-O 3.08Å; V272-V363 HydrophobicContact CG2-CG2 4.32Å; V272-V363 CarbonylContact O-C 3.5Å; V272-V363 WeakPolarHBondContact O-CA 3.38Å; V272-L364 PolarHBondContact O-N 2.9Å
273V91.6Very high89.1Confident60 Ų6054.4 Ų54.436%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-90.7147174-179.90000109.2G275 S276 L364 A366V273-G275 PolarHBondContact O-N 3.32Å; V273-S276 VanDerWaalsContact O-CB 3.26Å; V273-S276 WeakPolarHBondContact O-CB 3.47Å; V273-S276 PolarHBondContact O-N 3.08Å; V273-S276 PolarHBondContact O-OG 2.92Å; V273-L364 WeakPolarHBondContact CA-O 3.15Å; V273-A366 HydrophobicContact CG1-CB 3.88Å
274V92.8Very high89.1Confident53 Ų5351.9 Ų51.932%0.32132%0.32SS..THydrogen-bonded Turntrans-47.7129.9173.5175.40000110.9V336 F338 V363 L364V274-V336 WeakPolarHBondContact CA-O 3.19Å; V274-F338 HydrophobicContact CG2-CD1 4.25Å; V274-F338 HydrophobicContact CG2-CD2 3.89Å; V274-F338 HydrophobicContact CG2-CE1 3.9Å; V274-F338 HydrophobicContact CG2-CE2 3.52Å; V274-F338 HydrophobicContact CG2-CG 4.25Å; V274-F338 HydrophobicContact CG2-CZ 3.52Å; V274-V363 HydrophobicContact CB-CG1 4.47Å; V274-V363 HydrophobicContact CG2-CG1 3.61Å; V274-L364 PolarHBondContact N-O 3.13Å
275G88.3Confident89.2Confident37 Ų3753.8 Ų53.838%0.38131%0.309SS..THydrogen-bonded Turntrans87.22-178.700000115.5V273 N335 V336V273-G275 PolarHBondContact O-N 3.32Å; G275-N335 WeakPolarHBondContact CA-OD1 3.35Å; G275-V336 PolarHBondContact N-O 2.76Å
276S90.4Very high89Confident47 Ų4752.3 Ų52.333%0.32929%0.289SS..  trans-82160.7171.1-50.30000111.7V273 N335 V336V273-S276 VanDerWaalsContact O-CB 3.26Å; V273-S276 WeakPolarHBondContact O-CB 3.47Å; V273-S276 PolarHBondContact O-N 3.08Å; V273-S276 PolarHBondContact O-OG 2.92Å; S276-N335 PolarHBondContact O-N 3.35Å; S276-V336 VanDerWaalsContact O-CB 3.32Å; S276-V336 WeakPolarHBondContact O-CB 3.49Å; S276-V336 VanDerWaalsContact O-CG2 3.23Å; S276-V336 WeakPolarHBondContact O-CG2 3.4Å; S276-V336 PolarHBondContact O-N 3.07Å
277D92.6Very high87.8Confident92 Ų9255.6 Ų55.649%0.49231%0.307SS..  trans-94.6153.2168.5-58.4-23.5000110.3F332 L333 T334 N335D277-F332 HydrophobicContact CB-CE2 4.27Å; D277-F332 HydrophobicContact CB-CZ 4.03Å; D277-L333 CarbonylContact C-O 3.53Å; D277-L333 WeakPolarHBondContact CA-O 3.37Å; D277-T334 WeakPolarHBondContact OD1-CA 3.22Å; D277-T334 WeakPolarHBondContact OD1-CB 3.47Å; D277-N335 PolarHBondContact OD1-N 2.89Å
278V92.3Very high86.6Confident4 Ų456.4 Ų56.42%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-143.9140.8-179.969.80000112.2Q270 V272 F280 L333 V336 L361Q270-V278 HydrophobicContact CB-CG2 4.1Å; Q270-V278 VanDerWaalsContact CD-CG2 3.49Å; Q270-V278 HydrophobicContact CG-CG2 4.41Å; V272-V278 HydrophobicContact CG1-CB 4.14Å; V272-V278 HydrophobicContact CG1-CG2 4Å; V278-F280 HydrophobicContact CG1-CE2 4.29Å; V278-F280 HydrophobicContact CG2-CE2 4.41Å; V278-L333 HydrophobicContact CG1-CB 3.84Å; V278-L333 HydrophobicContact CG1-CD1 4.02Å; V278-L333 HydrophobicContact CG1-CG 4.36Å; V278-L333 PolarHBondContact N-O 2.88Å; V278-L333 PolarHBondContact O-N 2.92Å; V278-V336 HydrophobicContact CB-CG2 4.38Å; V278-V336 HydrophobicContact CG1-CG2 3.66Å; V278-L361 HydrophobicContact CG1-CD1 4.24Å; V278-L361 HydrophobicContact CG1-CD2 4.07Å; V278-L361 HydrophobicContact CG2-CD1 4.2Å
279E93Very high85.6Confident90 Ų9060.8 Ų60.842%0.42133%0.327SS..EExtended strand (participates in β ladder)trans-118.1126.5177.2-24.5-158.1136.700111.5Q270 H281 V330 L331 F332Q270-E279 PolarHBondContact NE2-O 3.23Å; E279-H281 IonicContact OE2-CE1 3.9Å; E279-H281 PolarHBondContact OE2-CE1 2.86Å; E279-H281 IonicContact OE2-NE2 3.57Å; E279-V330 HydrophobicContact CB-CG1 4.21Å; E279-L331 CarbonylContact C-O 3.56Å; E279-L331 WeakPolarHBondContact CA-O 3.29Å; E279-F332 HydrophobicContact CB-CD2 4.3Å; E279-F332 HydrophobicContact CG-CD2 3.71Å; E279-F332 HydrophobicContact CG-CE2 3.92Å; E279-F332 WeakPolarHBondContact OE1-CD2 3.49Å; E279-F332 VanDerWaalsContact OE1-CE2 3.3Å; E279-F332 WeakPolarHBondContact OE1-CE2 3.12Å
280F93.1Very high84.8Confident0 Ų056.2 Ų56.20%030%0.303CS..EExtended strand (participates in β ladder)trans-103.2126.4168.2-68.2-79.8000110.2P267 A268 Q270 V278 W294 V330 L331 L333 Y344 A359 L361P267-F280 HydrophobicContact CB-CB 4.2Å; P267-F280 HydrophobicContact CB-CD1 3.95Å; A268-F280 WeakPolarHBondContact O-CE1 3.46Å; Q270-F280 HydrophobicContact CB-CE1 4.26Å; Q270-F280 HydrophobicContact CB-CZ 4.37Å; Q270-F280 HydrophobicContact CG-CE1 4.26Å; V278-F280 HydrophobicContact CG1-CE2 4.29Å; V278-F280 HydrophobicContact CG2-CE2 4.41Å; F280-W294 HydrophobicContact CB-CH2 3.53Å; F280-W294 HydrophobicContact CB-CZ2 4.35Å; F280-W294 HydrophobicContact CB-CZ3 3.72Å; F280-W294 WeakPolarHBondContact O-CZ2 3.33Å; F280-V330 CarbonylContact O-C 3.48Å; F280-V330 WeakPolarHBondContact O-CA 3.49Å; F280-L331 HydrophobicContact CB-CB 4.34Å; F280-L331 HydrophobicContact CD2-CD2 4.35Å; F280-L331 PolarHBondContact N-O 3.17Å; F280-L331 PolarHBondContact O-N 2.94Å; F280-L333 HydrophobicContact CE2-CD1 4.34Å; F280-Y344 HydrophobicContact CE2-CD2 4.31Å; F280-Y344 HydrophobicContact CE2-CG 4.29Å; F280-Y344 HydrophobicContact CZ-CD2 4.5Å; F280-A359 HydrophobicContact CD1-CB 4.07Å; F280-A359 HydrophobicContact CE1-CB 3.87Å; F280-L361 HydrophobicContact CE2-CB 4.41Å; F280-L361 HydrophobicContact CE2-CD1 4.47Å; F280-L361 HydrophobicContact CE2-CD2 4.33Å; F280-L361 HydrophobicContact CZ-CB 3.94Å; F280-L361 HydrophobicContact CZ-CD1 4.08Å; F280-L361 HydrophobicContact CZ-CG 4.41Å
281H91.8Very high84.3Confident77 Ų7757.4 Ų57.436%0.35631%0.309SS..EExtended strand (participates in β ladder)trans-100.3144.3175.3-53.9-70.3000111.4L266 P267 E279 E329 V330L266-H281 WeakPolarHBondContact CB-O 3.36Å; L266-H281 HydrophobicContact CD1-CB 4.37Å; L266-H281 HydrophobicContact CD2-CB 4.34Å; P267-H281 WeakPolarHBondContact CA-O 3.38Å; E279-H281 IonicContact OE2-CE1 3.9Å; E279-H281 PolarHBondContact OE2-CE1 2.86Å; E279-H281 IonicContact OE2-NE2 3.57Å; H281-E329 CarbonylContact C-O 3.57Å; H281-E329 WeakPolarHBondContact CA-O 3.49Å; H281-V330 WeakPolarHBondContact ND1-CG2 3.46Å
282C87.9Confident84.1Confident0 Ų053.3 Ų53.30%028%0.284CS..  trans-143.399.1175.2178.40000108.6W294 E329 C346C282-W294 HydrophobicContact CB-CH2 3.68Å; C282-W294 HydrophobicContact CB-CZ2 3.34Å; C282-E329 PolarHBondContact N-O 2.99Å; C282-E329 WeakPolarHBondContact O-CA 3.43Å; C282-E329 VanDerWaalsContact O-CB 3.22Å; C282-E329 WeakPolarHBondContact O-CB 3.3Å; C282-E329 VanDerWaalsContact O-CG 3.31Å; C282-E329 WeakPolarHBondContact O-CG 3.16Å; C282-C346 HydrophobicContact CB-CB 3.45Å; C282-C346 VanDerWaalsContact CB-CB 3.45Å; C282-C346 WeakPolarHBondContact CB-SG 3.32Å; C282-C346 WeakPolarHBondContact SG-CB 3.3Å; C282-C346 CovalentContact SG-SG 2.02Å; C282-C346 PolarHBondContact SG-SG 3.1Å
283K86.3Confident84.1Confident92 Ų9254.5 Ų54.540%0.429%0.288SS..  trans-88129.9-179.2-73-179.9169.9-1740111L262 Q263 L266 E329L262-K283 WeakPolarHBondContact CA-O 3.38Å; Q263-K283 HydrophobicContact CB-CB 3.9Å; Q263-K283 PolarHBondContact N-O 2.85Å; Q263-K283 VanDerWaalsContact OE1-CD 3.27Å; L266-K283 HydrophobicContact CD1-CB 4.46Å; L266-K283 HydrophobicContact CD1-CD 4.21Å; L266-K283 HydrophobicContact CD1-CG 4.22Å; K283-E329 VanDerWaalsContact CA-OE1 3.32Å; K283-E329 WeakPolarHBondContact CA-OE1 3.44Å
284V82.1Confident84.2Confident17 Ų1751.7 Ų51.710%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-122.9119.5-168.8-170.40000111P260 L262 P290 I292 E329 A348P260-V284 HydrophobicContact CB-CG1 3.82Å; L262-V284 HydrophobicContact CD2-CB 4.31Å; L262-V284 HydrophobicContact CD2-CG1 4.2Å; L262-V284 HydrophobicContact CD2-CG2 3.63Å; V284-P290 HydrophobicContact CG1-CB 3.98Å; V284-P290 HydrophobicContact CG1-CG 4.3Å; V284-I292 HydrophobicContact CB-CD1 4.02Å; V284-I292 HydrophobicContact CG2-CD1 3.53Å; V284-I292 HydrophobicContact CG2-CG1 3.96Å; V284-E329 PolarHBondContact N-OE1 2.95Å; V284-A348 HydrophobicContact CG1-CB 3.7Å; V284-A348 HydrophobicContact CG2-CB 4.09Å
285Y78.1Confident84.2Confident126 Ų12650.1 Ų50.149%0.49426%0.261SS..EExtended strand (participates in β ladder)trans-106.3121.9174.9-53.8-83.2000109.5I261 Q263I261-Y285 PolarHBondContact N-O 2.98Å; I261-Y285 PolarHBondContact O-N 2.83Å; Q263-Y285 HydrophobicContact CB-CE2 4.17Å; Q263-Y285 PolarHBondContact OE1-OH 3.39Å
286S69.6Low84.4Confident29 Ų2949.8 Ų49.820%0.20325%0.249CC..  trans-155.7126.6-176.9-175.50000110.7A288 N350S286-A288 VanDerWaalsContact CB-O 3.27Å; S286-A288 WeakPolarHBondContact CB-O 3.2Å; S286-A288 PolarHBondContact O-N 2.83Å; S286-A288 PolarHBondContact OG-O 2.89Å; S286-N350 PolarHBondContact OG-ND2 2.95Å
287D62.9Low84.4Confident100 Ų10049.2 Ų49.254%0.53524%0.24SC..SBendtrans-70.6-20.9176.1-74.5-17.7000112.6H258H258-D287 IonicContact CD2-OD2 2.6Å; H258-D287 IonicContact NE2-OD2 2.62Å
288A65.1Low84.2Confident25 Ų2547 Ų4721%0.20723%0.229CC..SBendtrans-107.4148.717000000110.6S286 P290 N350S286-A288 VanDerWaalsContact CB-O 3.27Å; S286-A288 WeakPolarHBondContact CB-O 3.2Å; S286-A288 PolarHBondContact O-N 2.83Å; S286-A288 PolarHBondContact OG-O 2.89Å; A288-P290 VanDerWaalsContact O-CD 3.3Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.08Å; A288-N350 HydrophobicContact CB-CB 4.28Å
289Q68.6Low83.9Confident140 Ų14052.2 Ų52.265%0.65425%0.252SS*.  trans-50.1115.2-178.2-170.970.747.900111.6D325Q289-D325 PolarHBondContact NE2-OD1 3.05Å; Q289-D325 PolarHBondContact NE2-OD2 2.86Å
290P76.7Confident83.6Confident21 Ų2150.4 Ų50.414%0.13625%0.247CC..  trans-84.6145.6-179.633.3-32.7000111.4P260 V284 A288 G349P260-P290 HydrophobicContact CG-CB 4.47Å; V284-P290 HydrophobicContact CG1-CB 3.98Å; V284-P290 HydrophobicContact CG1-CG 4.3Å; A288-P290 VanDerWaalsContact O-CD 3.3Å; A288-P290 WeakPolarHBondContact O-CD 3.36Å; A288-P290 VanDerWaalsContact O-N 3.08Å; P290-G349 CarbonylContact C-O 3.58Å; P290-G349 WeakPolarHBondContact CA-O 3.38Å
291H82.2Confident83Confident87 Ų8758.4 Ų58.440%0.40329%0.29SS..EExtended strand (participates in β ladder)trans-105.7113.5169.1-174.472.1000108.9Q293 T318 A319 A348 G349H291-Q293 PolarHBondContact CD2-NE2 2.9Å; H291-Q293 VanDerWaalsContact CD2-NE2 3.29Å; H291-Q293 VanDerWaalsContact NE2-CG 3.32Å; H291-Q293 WeakPolarHBondContact NE2-CG 3.5Å; H291-Q293 PolarHBondContact NE2-NE2 2.92Å; H291-T318 WeakPolarHBondContact CE1-CG2 3.39Å; H291-T318 WeakPolarHBondContact NE2-CG2 3Å; H291-A319 WeakPolarHBondContact CE1-CB 3.27Å; H291-A319 PolarHBondContact CE1-N 2.78Å; H291-A319 PolarHBondContact CE1-O 3.14Å; H291-A348 WeakPolarHBondContact O-CA 3.5Å; H291-G349 PolarHBondContact N-O 2.85Å; H291-G349 PolarHBondContact O-N 2.62Å
292I88.9Confident82.4Confident2 Ų258.1 Ų58.11%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-103.1133.9-174.8-54173.4000109.8V284 L328 E329 L347 A348V284-I292 HydrophobicContact CB-CD1 4.02Å; V284-I292 HydrophobicContact CG2-CD1 3.53Å; V284-I292 HydrophobicContact CG2-CG1 3.96Å; I292-L328 HydrophobicContact CB-CB 4.01Å; I292-L328 HydrophobicContact CD1-CB 4.38Å; I292-L328 HydrophobicContact CG2-CB 4.27Å; I292-E329 HydrophobicContact CD1-CG 4.04Å; I292-L347 WeakPolarHBondContact CA-O 3.44Å; I292-A348 HydrophobicContact CG1-CB 4.47Å
293Q91.3Very high82.2Confident46 Ų4660.4 Ų60.422%0.21532%0.324CS..EExtended strand (participates in β ladder)trans-132.6144.7175.6-58.6-174.69.600110.9H291 K317 T318 L347H291-Q293 PolarHBondContact CD2-NE2 2.9Å; H291-Q293 VanDerWaalsContact CD2-NE2 3.29Å; H291-Q293 VanDerWaalsContact NE2-CG 3.32Å; H291-Q293 WeakPolarHBondContact NE2-CG 3.5Å; H291-Q293 PolarHBondContact NE2-NE2 2.92Å; Q293-K317 CarbonylContact C-O 3.59Å; Q293-K317 VanDerWaalsContact CA-O 3.3Å; Q293-K317 WeakPolarHBondContact CA-O 3.27Å; Q293-T318 HydrophobicContact CG-CG2 4.2Å; Q293-L347 HydrophobicContact CB-CB 4.5Å; Q293-L347 PolarHBondContact N-O 2.83Å; Q293-L347 PolarHBondContact O-N 3.26Å
294W93.5Very high81.9Confident1 Ų160.2 Ų60.20%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-110.5133.1169.5-74.390.6000110.8P267 F280 C282 L316 K317 L328 L331 C346P267-W294 HydrophobicContact CB-CH2 3.94Å; P267-W294 HydrophobicContact CB-CZ3 4.11Å; P267-W294 HydrophobicContact CG-CH2 4.1Å; P267-W294 HydrophobicContact CG-CZ3 3.96Å; F280-W294 HydrophobicContact CB-CH2 3.53Å; F280-W294 HydrophobicContact CB-CZ2 4.35Å; F280-W294 HydrophobicContact CB-CZ3 3.72Å; F280-W294 WeakPolarHBondContact O-CZ2 3.33Å; C282-W294 HydrophobicContact CB-CH2 3.68Å; C282-W294 HydrophobicContact CB-CZ2 3.34Å; W294-L316 HydrophobicContact CB-CB 4.44Å; W294-L316 PolarHBondContact O-N 3.29Å; W294-K317 HydrophobicContact CB-CB 4.07Å; W294-K317 HydrophobicContact CG-CB 4.43Å; W294-K317 PolarHBondContact N-O 2.82Å; W294-L328 PolarHBondContact NE1-O 3.43Å; W294-L331 HydrophobicContact CB-CD1 4.36Å; W294-L331 HydrophobicContact CB-CD2 4.24Å; W294-L331 HydrophobicContact CD2-CB 3.56Å; W294-L331 HydrophobicContact CD2-CD2 4.06Å; W294-L331 HydrophobicContact CD2-CG 4.36Å; W294-L331 HydrophobicContact CE3-CB 3.96Å; W294-L331 HydrophobicContact CE3-CD2 3.82Å; W294-L331 HydrophobicContact CG-CB 3.84Å; W294-L331 HydrophobicContact CG-CD1 4.46Å; W294-L331 HydrophobicContact CG-CD2 4.27Å; W294-L331 HydrophobicContact CG-CG 4.42Å; W294-L331 HydrophobicContact CH2-CB 4.42Å; W294-L331 HydrophobicContact CZ2-CB 4.08Å; W294-L331 HydrophobicContact CZ3-CB 4.37Å; W294-L331 HydrophobicContact CZ3-CD2 4.47Å; W294-C346 HydrophobicContact CD2-CB 4.22Å; W294-C346 HydrophobicContact CE3-CB 4.01Å; W294-C346 HydrophobicContact CH2-CB 3.9Å; W294-C346 HydrophobicContact CZ2-CB 4.09Å; W294-C346 HydrophobicContact CZ3-CB 3.85Å
295L93.1Very high82Confident20 Ų2065.8 Ų65.811%0.10534%0.341CS..EExtended strand (participates in β ladder)trans-123.3138.1-175.2-52.2176.9000109.4V313 N314 V315 Y344 T345 L347L295-V313 HydrophobicContact CB-CB 4.28Å; L295-V313 HydrophobicContact CB-CG1 4.46Å; L295-V313 HydrophobicContact CD1-CG2 4.47Å; L295-V313 HydrophobicContact CD2-CG2 4.46Å; L295-N314 CarbonylContact C-O 3.58Å; L295-N314 WeakPolarHBondContact CA-O 3.48Å; L295-V315 HydrophobicContact CD2-CB 4.3Å; L295-V315 HydrophobicContact CD2-CG1 4.38Å; L295-V315 HydrophobicContact CD2-CG2 3.78Å; L295-Y344 CarbonylContact O-C 3.57Å; L295-Y344 VanDerWaalsContact O-CA 3.32Å; L295-Y344 WeakPolarHBondContact O-CA 3.34Å; L295-T345 PolarHBondContact N-O 2.77Å; L295-T345 PolarHBondContact O-N 2.84Å; L295-L347 HydrophobicContact CD1-CB 4.27Å; L295-L347 HydrophobicContact CD1-CD2 4.2Å
296K93.2Very high82.2Confident30 Ų3060.3 Ų60.313%0.1332%0.322CS..EExtended strand (participates in β ladder)trans-109.2125166.4-179.5-177.9-176.5-174.20108.5V313 N314 L316 E339 D340 Y344K296-V313 CarbonylContact O-C 3.56Å; K296-V313 WeakPolarHBondContact O-CA 3.31Å; K296-N314 PolarHBondContact N-O 3.17Å; K296-N314 PolarHBondContact O-N 2.97Å; K296-L316 HydrophobicContact CB-CD1 3.82Å; K296-L316 HydrophobicContact CB-CD2 4.32Å; K296-L316 HydrophobicContact CB-CG 4.07Å; K296-E339 PolarHBondContact NZ-O 2.86Å; K296-D340 IonicContact NZ-OD1 3.46Å; K296-D340 PolarHBondContact NZ-OD1 2.9Å; K296-Y344 HydrophobicContact CB-CD1 4.22Å; K296-Y344 HydrophobicContact CB-CE1 4.05Å; K296-Y344 HydrophobicContact CD-CE1 4.03Å; K296-Y344 WeakPolarHBondContact CE-OH 3.44Å; K296-Y344 HydrophobicContact CG-CD1 4.45Å; K296-Y344 HydrophobicContact CG-CE1 4Å; K296-Y344 HydrophobicContact CG-CE2 4.36Å
297H90.1Very high82.6Confident34 Ų3465.5 Ų65.516%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-71.9137.2174.6-67.4-104.8000110E343 T345H297-E343 HydrophobicContact CB-CB 4.17Å; H297-E343 PolarHBondContact CD2-O 2.54Å; H297-E343 PolarHBondContact N-O 3.02Å; H297-E343 IonicContact NE2-OE1 3.76Å; H297-T345 PolarHBondContact NE2-OG1 2.67Å
298I89.2Confident83.4Confident47 Ų4766.9 Ų66.924%0.24136%0.363CS..  trans-128.5160.2-17860.7167.3000110.8V300 Y312 N314I298-V300 HydrophobicContact CD1-CG2 4.03Å; I298-V300 HydrophobicContact CG1-CG2 4.39Å; I298-Y312 WeakPolarHBondContact CG1-O 3.22Å; I298-Y312 PolarHBondContact N-O 3.3Å; I298-N314 HydrophobicContact CG2-CB 4.41Å
299E85.9Confident83.9Confident113 Ų11368.1 Ų68.153%0.52838%0.378SS..  trans-106.6128.1172.4-75.9176.3-166.800109.8S303 R304E299-S303 WeakPolarHBondContact CA-O 3.46Å; E299-R304 HydrophobicContact CG-CG 3.49Å; E299-R304 VanDerWaalsContact CG-CG 3.49Å; E299-R304 IonicContact OE1-CZ 2.69Å; E299-R304 IonicContact OE1-NE 3.28Å; E299-R304 PolarHBondContact OE1-NE 3.06Å; E299-R304 IonicContact OE1-NH2 2.75Å; E299-R304 PolarHBondContact OE1-NH2 2.91Å
300V85.9Confident84.4Confident51 Ų5163.5 Ų63.531%0.30936%0.364SS..BIsolated β-bridgetrans-119.8121.3176.4-1760000107.8I298 G302 S303 Y312I298-V300 HydrophobicContact CD1-CG2 4.03Å; I298-V300 HydrophobicContact CG1-CG2 4.39Å; V300-G302 PolarHBondContact O-N 3.3Å; V300-S303 PolarHBondContact N-O 3.25Å; V300-S303 PolarHBondContact O-N 3.19Å; V300-Y312 HydrophobicContact CB-CD1 4.43Å; V300-Y312 HydrophobicContact CB-CD2 3.84Å; V300-Y312 HydrophobicContact CB-CE1 4.39Å; V300-Y312 HydrophobicContact CB-CE2 3.8Å; V300-Y312 HydrophobicContact CB-CG 4.16Å; V300-Y312 HydrophobicContact CG2-CD1 4.01Å; V300-Y312 HydrophobicContact CG2-CD2 3.95Å; V300-Y312 HydrophobicContact CG2-CE1 4.4Å; V300-Y312 HydrophobicContact CG2-CE2 4.34Å; V300-Y312 HydrophobicContact CG2-CG 3.77Å
301N81.7Confident84.8Confident169 Ų16965.1 Ų65.190%0.90437%0.374SS*.THydrogen-bonded Turntrans52.532.8-175.1-58.3-33.3000114.1S303N301-S303 VanDerWaalsContact C-N 3.32Å; N301-S303 PolarHBondContact O-N 3.19Å
302G78.6Confident85.1Confident70 Ų7064.6 Ų64.672%0.72237%0.369SS*.THydrogen-bonded Turntrans79.35.8-179.400000115.3V300V300-G302 PolarHBondContact O-N 3.3Å
303S82.4Confident85.1Confident49 Ų4966.9 Ų66.934%0.34338%0.383SS..BIsolated β-bridgetrans-109.3141.2170.7-174.80000111.1E299 V300 N301 Y305 Y312E299-S303 WeakPolarHBondContact CA-O 3.46Å; V300-S303 PolarHBondContact N-O 3.25Å; V300-S303 PolarHBondContact O-N 3.19Å; N301-S303 VanDerWaalsContact C-N 3.32Å; N301-S303 PolarHBondContact O-N 3.19Å; S303-Y305 VanDerWaalsContact C-N 3.35Å; S303-Y305 PolarHBondContact OG-N 2.84Å; S303-Y305 PolarHBondContact OG-O 3.44Å; S303-Y312 WeakPolarHBondContact O-CD2 3.33Å
304R80.8Confident85Confident87 Ų8768.8 Ų68.833%0.32840%0.395SS..SBendtrans-83.6-11.9167.3-69.8-175.1179.6-126.7-10.8113.2E299 P311 Y312E299-R304 HydrophobicContact CG-CG 3.49Å; E299-R304 VanDerWaalsContact CG-CG 3.49Å; E299-R304 IonicContact OE1-CZ 2.69Å; E299-R304 IonicContact OE1-NE 3.28Å; E299-R304 PolarHBondContact OE1-NE 3.06Å; E299-R304 IonicContact OE1-NH2 2.75Å; E299-R304 PolarHBondContact OE1-NH2 2.91Å; R304-P311 CarbonylContact O-C 3.52Å; R304-P311 WeakPolarHBondContact O-CA 3.47Å; R304-Y312 PolarHBondContact O-N 2.88Å
305Y84.3Confident84.8Confident135 Ų13572.7 Ų72.753%0.52942%0.419SS..BIsolated β-bridgetrans-125.3142-174.6-58.9-85.7000111.7S303 A310 P311 Y312S303-Y305 VanDerWaalsContact C-N 3.35Å; S303-Y305 PolarHBondContact OG-N 2.84Å; S303-Y305 PolarHBondContact OG-O 3.44Å; Y305-A310 CarbonylContact C-O 3.43Å; Y305-A310 WeakPolarHBondContact CA-O 3.31Å; Y305-P311 HydrophobicContact CD1-CB 4.12Å; Y305-P311 HydrophobicContact CE1-CB 4.02Å; Y305-Y312 VanDerWaalsContact C-CE2 3.42Å; Y305-Y312 VanDerWaalsContact O-CE2 3.26Å; Y305-Y312 WeakPolarHBondContact O-CE2 3.32Å
306G83.3Confident84.5Confident10 Ų1075.2 Ų75.210%0.10343%0.432CS..  trans-68.8169.2170.900000113.1D308 G309 A310G306-D308 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact O-N 3.15Å; G306-G309 PolarHBondContact O-N 3.16Å; G306-A310 PolarHBondContact N-O 3.22Å
307P77.8Confident84.1Confident138 Ų13876.7 Ų76.790%0.89644%0.438SS*.THydrogen-bonded Turntrans-65.3-12.117728.9-35.6000113.7
308D79.9Confident83.6Confident130 Ų13077.6 Ų77.670%0.69545%0.446SS*.THydrogen-bonded Turntrans-93.4-4.5173.359.2-7.9000113.5G306 A310G306-D308 PolarHBondContact O-N 3.33Å; G306-D308 VanDerWaalsContact O-N 3.15Å; D308-A310 PolarHBondContact OD1-N 3.48Å; D308-A310 VanDerWaalsContact OD1-N 3.09Å
309G74.9Confident82.6Confident51 Ų5177 Ų7753%0.52645%0.449SS..SBendtrans83.22.7-176.200000115G306G306-G309 PolarHBondContact O-N 3.16Å
310A78.9Confident81.4Confident43 Ų4373.7 Ų73.736%0.35544%0.444SS..PPolyproline II helixtrans-75.5139.6174.300000110.8Y305 G306 D308Y305-A310 CarbonylContact C-O 3.43Å; Y305-A310 WeakPolarHBondContact CA-O 3.31Å; G306-A310 PolarHBondContact N-O 3.22Å; D308-A310 PolarHBondContact OD1-N 3.48Å; D308-A310 VanDerWaalsContact OD1-N 3.09Å
311P84.6Confident79.8Confident55 Ų5579.7 Ų79.736%0.35747%0.473SS..BIsolated β-bridgetrans-69138.8175.928.8-34000110.9R304 Y305 V313R304-P311 CarbonylContact O-C 3.52Å; R304-P311 WeakPolarHBondContact O-CA 3.47Å; Y305-P311 HydrophobicContact CD1-CB 4.12Å; Y305-P311 HydrophobicContact CE1-CB 4.02Å; P311-V313 HydrophobicContact CB-CG1 4.31Å; P311-V313 HydrophobicContact CG-CG1 4.37Å; P311-V313 PolarHBondContact O-N 2.75Å
312Y88.1Confident78.4Confident76 Ų7679 Ų7930%0.29847%0.47SS..PPolyproline II helixtrans-72117170.3-67.2-66.1000109.4I298 V300 S303 R304 Y305I298-Y312 WeakPolarHBondContact CG1-O 3.22Å; I298-Y312 PolarHBondContact N-O 3.3Å; V300-Y312 HydrophobicContact CB-CD1 4.43Å; V300-Y312 HydrophobicContact CB-CD2 3.84Å; V300-Y312 HydrophobicContact CB-CE1 4.39Å; V300-Y312 HydrophobicContact CB-CE2 3.8Å; V300-Y312 HydrophobicContact CB-CG 4.16Å; V300-Y312 HydrophobicContact CG2-CD1 4.01Å; V300-Y312 HydrophobicContact CG2-CD2 3.95Å; V300-Y312 HydrophobicContact CG2-CE1 4.4Å; V300-Y312 HydrophobicContact CG2-CE2 4.34Å; V300-Y312 HydrophobicContact CG2-CG 3.77Å; S303-Y312 WeakPolarHBondContact O-CD2 3.33Å; R304-Y312 PolarHBondContact O-N 2.88Å; Y305-Y312 VanDerWaalsContact C-CE2 3.42Å; Y305-Y312 VanDerWaalsContact O-CE2 3.26Å; Y305-Y312 WeakPolarHBondContact O-CE2 3.32Å
313V89.3Confident77.6Confident50 Ų5078.4 Ų78.430%0.30345%0.452SS..EExtended strand (participates in β ladder)trans-132.3140.3-177.6-66.40000111.8L295 K296 P311L295-V313 HydrophobicContact CB-CB 4.28Å; L295-V313 HydrophobicContact CB-CG1 4.46Å; L295-V313 HydrophobicContact CD1-CG2 4.47Å; L295-V313 HydrophobicContact CD2-CG2 4.46Å; K296-V313 CarbonylContact O-C 3.56Å; K296-V313 WeakPolarHBondContact O-CA 3.31Å; P311-V313 HydrophobicContact CB-CG1 4.31Å; P311-V313 HydrophobicContact CG-CG1 4.37Å; P311-V313 PolarHBondContact O-N 2.75Å
314N89.8Confident76.8Confident85 Ų8579.8 Ų79.846%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-96.6127.1166.4-83.4-16.7000109.7L295 K296 I298 L316L295-N314 CarbonylContact C-O 3.58Å; L295-N314 WeakPolarHBondContact CA-O 3.48Å; K296-N314 PolarHBondContact N-O 3.17Å; K296-N314 PolarHBondContact O-N 2.97Å; I298-N314 HydrophobicContact CG2-CB 4.41Å; N314-L316 PolarHBondContact O-N 3.24Å
315V89.1Confident76Confident84 Ų8478.8 Ų78.851%0.50946%0.459SS..EExtended strand (participates in β ladder)trans-78.1116.2174.1-173.80000109.1L295 T318L295-V315 HydrophobicContact CD2-CB 4.3Å; L295-V315 HydrophobicContact CD2-CG1 4.38Å; L295-V315 HydrophobicContact CD2-CG2 3.78Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.18Å
316L86.7Confident75.2Confident73 Ų7380.3 Ų80.338%0.38247%0.469SS..EExtended strand (participates in β ladder)trans-94.5-35.1-177.3-62.1-174.2000113.4W294 K296 N314 L331 Y344W294-L316 HydrophobicContact CB-CB 4.44Å; W294-L316 PolarHBondContact O-N 3.29Å; K296-L316 HydrophobicContact CB-CD1 3.82Å; K296-L316 HydrophobicContact CB-CD2 4.32Å; K296-L316 HydrophobicContact CB-CG 4.07Å; N314-L316 PolarHBondContact O-N 3.24Å; L316-L331 HydrophobicContact CB-CD1 4.2Å; L316-L331 HydrophobicContact CD1-CD1 4.31Å; L316-L331 HydrophobicContact CD1-CD2 3.96Å; L316-Y344 HydrophobicContact CD1-CD1 3.81Å; L316-Y344 HydrophobicContact CD1-CE1 3.51Å
317K84.6Confident74.8Confident60 Ų6084.6 Ų84.626%0.26149%0.486SS..EExtended strand (participates in β ladder)trans-149.6138.4-176.1-164.8169.9-176.8172.80109.9Q293 W294 E327 L328 V330Q293-K317 CarbonylContact C-O 3.59Å; Q293-K317 VanDerWaalsContact CA-O 3.3Å; Q293-K317 WeakPolarHBondContact CA-O 3.27Å; W294-K317 HydrophobicContact CB-CB 4.07Å; W294-K317 HydrophobicContact CG-CB 4.43Å; W294-K317 PolarHBondContact N-O 2.82Å; K317-E327 VanDerWaalsContact CE-O 3.31Å; K317-E327 WeakPolarHBondContact CE-O 3.5Å; K317-E327 PolarHBondContact NZ-O 2.91Å; K317-L328 HydrophobicContact CD-CD2 4.49Å; K317-L328 HydrophobicContact CG-CD2 4.02Å; K317-V330 PolarHBondContact NZ-O 2.79Å
318T80Confident74.9Confident53 Ų5378 Ų7833%0.32544%0.443SS..EExtended strand (participates in β ladder)trans-153.6152.1-178-67.80000108.5H291 Q293 V315 G320H291-T318 WeakPolarHBondContact CE1-CG2 3.39Å; H291-T318 WeakPolarHBondContact NE2-CG2 3Å; Q293-T318 HydrophobicContact CG-CG2 4.2Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.18Å; T318-G320 PolarHBondContact O-N 3.23Å
319A67.1Low75.1Confident36 Ų3673.9 Ų73.930%0.29842%0.42SS..  trans-57.9123.9177.200000112.5H291 L328H291-A319 WeakPolarHBondContact CE1-CB 3.27Å; H291-A319 PolarHBondContact CE1-N 2.78Å; H291-A319 PolarHBondContact CE1-O 3.14Å; A319-L328 HydrophobicContact CB-CD1 3.52Å
320G60.9Low75.8Confident42 Ų4273.3 Ų73.343%0.43341%0.406SS..  trans-115.6175.6168.700000111.7T318 N322 T323T318-G320 PolarHBondContact O-N 3.23Å; G320-N322 PolarHBondContact O-N 3.16Å; G320-T323 PolarHBondContact N-OG1 2.8Å; G320-T323 PolarHBondContact O-N 3.27Å; G320-T323 PolarHBondContact O-OG1 3.32Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å
321I52.3Low76.4Confident177 Ų17771.6 Ų71.691%0.90839%0.391SS*.THydrogen-bonded Turntrans-58.8-24.2-169.9-60.6169.8000113.8
322N53Low76.7Confident156 Ų15673.8 Ų73.883%0.83440%0.395SS*.THydrogen-bonded Turntrans-1180.8-176.2-66.4-12000114.7G320G320-N322 PolarHBondContact O-N 3.16Å
323T62.7Low76.9Confident57 Ų5771.6 Ų71.635%0.3539%0.388SS..  trans-91.2131.2-178.348.90000111G320G320-T323 PolarHBondContact N-OG1 2.8Å; G320-T323 PolarHBondContact O-N 3.27Å; G320-T323 PolarHBondContact O-OG1 3.32Å; G320-T323 VanDerWaalsContact O-OG1 3.06Å
324T65.9Low76.9Confident78 Ų7873.3 Ų73.348%0.47940%0.399SS..  trans-82.6151.7175.8640000111.9K326 E327 L328T324-K326 PolarHBondContact O-N 3.16Å; T324-E327 PolarHBondContact N-OE2 3.06Å; T324-E327 WeakPolarHBondContact O-CB 3.3Å; T324-E327 PolarHBondContact O-N 3.25Å; T324-E327 VanDerWaalsContact OG1-CD 3.29Å; T324-E327 WeakPolarHBondContact OG1-CG 3.34Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; T324-L328 PolarHBondContact O-N 3.45Å
325D63.4Low76.9Confident65 Ų6574.4 Ų74.435%0.34841%0.405SS..Hα-helixtrans-55-39.3179.1-58.2-43.7000112Q289 E327 L328 E329Q289-D325 PolarHBondContact NE2-OD1 3.05Å; Q289-D325 PolarHBondContact NE2-OD2 2.86Å; D325-E327 VanDerWaalsContact C-N 3.27Å; D325-E327 PolarHBondContact O-N 3.26Å; D325-L328 CarbonylContact O-C 3.58Å; D325-L328 WeakPolarHBondContact O-CA 3.27Å; D325-L328 WeakPolarHBondContact O-CB 3.39Å; D325-L328 PolarHBondContact O-N 3.47Å; D325-E329 WeakPolarHBondContact O-CG 3.17Å; D325-E329 PolarHBondContact O-N 3.5Å
326K66.8Low77.1Confident167 Ų16770.5 Ų70.573%0.72638%0.381SS*.Hα-helixtrans-61.8-30176.8-70-174.7177.6-179.90114T324T324-K326 PolarHBondContact O-N 3.16Å
327E74Confident77.4Confident100 Ų10069.6 Ų69.647%0.46738%0.379SS..Hα-helixtrans-77.9-31.9173.2-68.8163.1133.100110.9K317 T324 D325 E329 V330K317-E327 VanDerWaalsContact CE-O 3.31Å; K317-E327 WeakPolarHBondContact CE-O 3.5Å; K317-E327 PolarHBondContact NZ-O 2.91Å; T324-E327 PolarHBondContact N-OE2 3.06Å; T324-E327 WeakPolarHBondContact O-CB 3.3Å; T324-E327 PolarHBondContact O-N 3.25Å; T324-E327 VanDerWaalsContact OG1-CD 3.29Å; T324-E327 WeakPolarHBondContact OG1-CG 3.34Å; T324-E327 PolarHBondContact OG1-OE2 2.83Å; D325-E327 VanDerWaalsContact C-N 3.27Å; D325-E327 PolarHBondContact O-N 3.26Å; E327-E329 VanDerWaalsContact C-N 3.35Å; E327-V330 PolarHBondContact O-N 3.41Å; E327-V330 VanDerWaalsContact O-O 3.04Å
328L80.6Confident77.7Confident1 Ų172.4 Ų72.41%0.00539%0.391CS..Hα-helixtrans-73-26.8176.4-59.9170.1000112.4I292 W294 K317 A319 T324 D325 V330I292-L328 HydrophobicContact CB-CB 4.01Å; I292-L328 HydrophobicContact CD1-CB 4.38Å; I292-L328 HydrophobicContact CG2-CB 4.27Å; W294-L328 PolarHBondContact NE1-O 3.43Å; K317-L328 HydrophobicContact CD-CD2 4.49Å; K317-L328 HydrophobicContact CG-CD2 4.02Å; A319-L328 HydrophobicContact CB-CD1 3.52Å; T324-L328 PolarHBondContact O-N 3.45Å; D325-L328 CarbonylContact O-C 3.58Å; D325-L328 WeakPolarHBondContact O-CA 3.27Å; D325-L328 WeakPolarHBondContact O-CB 3.39Å; D325-L328 PolarHBondContact O-N 3.47Å; L328-V330 PolarHBondContact O-N 3.17Å; L328-V330 VanDerWaalsContact O-N 3.1Å
329E85.4Confident78.1Confident43 Ų4378 Ų7820%0.20141%0.413CS..THydrogen-bonded Turntrans-60.7-11.6169.7-68.3-161.3141.500113.8H281 C282 K283 V284 I292 D325 E327H281-E329 CarbonylContact C-O 3.57Å; H281-E329 WeakPolarHBondContact CA-O 3.49Å; C282-E329 PolarHBondContact N-O 2.99Å; C282-E329 WeakPolarHBondContact O-CA 3.43Å; C282-E329 VanDerWaalsContact O-CB 3.22Å; C282-E329 WeakPolarHBondContact O-CB 3.3Å; C282-E329 VanDerWaalsContact O-CG 3.31Å; C282-E329 WeakPolarHBondContact O-CG 3.16Å; K283-E329 VanDerWaalsContact CA-OE1 3.32Å; K283-E329 WeakPolarHBondContact CA-OE1 3.44Å; V284-E329 PolarHBondContact N-OE1 2.95Å; I292-E329 HydrophobicContact CD1-CG 4.04Å; D325-E329 WeakPolarHBondContact O-CG 3.17Å; D325-E329 PolarHBondContact O-N 3.5Å; E327-E329 VanDerWaalsContact C-N 3.35Å
330V88.8Confident79.2Confident38 Ų3878.1 Ų78.123%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-126.9125.3-179.6-168.10000111.7E279 F280 H281 K317 E327 L328E279-V330 HydrophobicContact CB-CG1 4.21Å; F280-V330 CarbonylContact O-C 3.48Å; F280-V330 WeakPolarHBondContact O-CA 3.49Å; H281-V330 WeakPolarHBondContact ND1-CG2 3.46Å; K317-V330 PolarHBondContact NZ-O 2.79Å; E327-V330 PolarHBondContact O-N 3.41Å; E327-V330 VanDerWaalsContact O-O 3.04Å; L328-V330 PolarHBondContact O-N 3.17Å; L328-V330 VanDerWaalsContact O-N 3.1Å
331L91.4Very high80.6Confident7 Ų778.2 Ų78.24%0.03741%0.406CS..EExtended strand (participates in β ladder)trans-99122.9166.5174.668.6000109E279 F280 W294 L316 L333 Y344E279-L331 CarbonylContact C-O 3.56Å; E279-L331 WeakPolarHBondContact CA-O 3.29Å; F280-L331 HydrophobicContact CB-CB 4.34Å; F280-L331 HydrophobicContact CD2-CD2 4.35Å; F280-L331 PolarHBondContact N-O 3.17Å; F280-L331 PolarHBondContact O-N 2.94Å; W294-L331 HydrophobicContact CB-CD1 4.36Å; W294-L331 HydrophobicContact CB-CD2 4.24Å; W294-L331 HydrophobicContact CD2-CB 3.56Å; W294-L331 HydrophobicContact CD2-CD2 4.06Å; W294-L331 HydrophobicContact CD2-CG 4.36Å; W294-L331 HydrophobicContact CE3-CB 3.96Å; W294-L331 HydrophobicContact CE3-CD2 3.82Å; W294-L331 HydrophobicContact CG-CB 3.84Å; W294-L331 HydrophobicContact CG-CD1 4.46Å; W294-L331 HydrophobicContact CG-CD2 4.27Å; W294-L331 HydrophobicContact CG-CG 4.42Å; W294-L331 HydrophobicContact CH2-CB 4.42Å; W294-L331 HydrophobicContact CZ2-CB 4.08Å; W294-L331 HydrophobicContact CZ3-CB 4.37Å; W294-L331 HydrophobicContact CZ3-CD2 4.47Å; L316-L331 HydrophobicContact CB-CD1 4.2Å; L316-L331 HydrophobicContact CD1-CD1 4.31Å; L316-L331 HydrophobicContact CD1-CD2 3.96Å; L331-L333 HydrophobicContact CD1-CD2 4.35Å; L331-L333 HydrophobicContact CG-CD2 4.43Å; L331-L333 HydrophobicContact CG-CG 4.42Å; L331-Y344 HydrophobicContact CD2-CD1 3.64Å; L331-Y344 HydrophobicContact CD2-CE1 4.14Å
332F91Very high82.4Confident102 Ų10270.2 Ų70.245%0.44737%0.367SS..EExtended strand (participates in β ladder)trans-111.5128.7177.7-170.1-115.4000109.3D277 E279 T334D277-F332 HydrophobicContact CB-CE2 4.27Å; D277-F332 HydrophobicContact CB-CZ 4.03Å; E279-F332 HydrophobicContact CB-CD2 4.3Å; E279-F332 HydrophobicContact CG-CD2 3.71Å; E279-F332 HydrophobicContact CG-CE2 3.92Å; E279-F332 WeakPolarHBondContact OE1-CD2 3.49Å; E279-F332 VanDerWaalsContact OE1-CE2 3.3Å; E279-F332 WeakPolarHBondContact OE1-CE2 3.12Å; F332-T334 HydrophobicContact CD1-CG2 3.79Å; F332-T334 HydrophobicContact CE1-CG2 3.2Å; F332-T334 HydrophobicContact CZ-CG2 3.91Å
333L91.6Very high84.4Confident29 Ų2965.1 Ų65.115%0.15234%0.338CS..EExtended strand (participates in β ladder)trans-121.9130175-56.6170.5000108D277 V278 F280 L331 V336 Y344 L361D277-L333 CarbonylContact C-O 3.53Å; D277-L333 WeakPolarHBondContact CA-O 3.37Å; V278-L333 HydrophobicContact CG1-CB 3.84Å; V278-L333 HydrophobicContact CG1-CD1 4.02Å; V278-L333 HydrophobicContact CG1-CG 4.36Å; V278-L333 PolarHBondContact N-O 2.88Å; V278-L333 PolarHBondContact O-N 2.92Å; F280-L333 HydrophobicContact CE2-CD1 4.34Å; L331-L333 HydrophobicContact CD1-CD2 4.35Å; L331-L333 HydrophobicContact CG-CD2 4.43Å; L331-L333 HydrophobicContact CG-CG 4.42Å; L333-V336 HydrophobicContact CB-CG2 4.2Å; L333-Y344 HydrophobicContact CD1-CD1 4.47Å; L333-Y344 HydrophobicContact CD1-CE1 3.62Å; L333-L361 HydrophobicContact CD1-CD2 4.1Å
334T90.3Very high85.9Confident87 Ų8762.4 Ų62.453%0.53432%0.321SS..  trans-107148.8-179.749.80000111.4D277 F332 V336D277-T334 WeakPolarHBondContact OD1-CA 3.22Å; D277-T334 WeakPolarHBondContact OD1-CB 3.47Å; F332-T334 HydrophobicContact CD1-CG2 3.79Å; F332-T334 HydrophobicContact CE1-CG2 3.2Å; F332-T334 HydrophobicContact CZ-CG2 3.91Å; T334-V336 PolarHBondContact O-N 3.32Å
335N89.8Confident87.2Confident108 Ų10859 Ų5958%0.57830%0.301SS*.SBendtrans51.551.4173.1-173.135.1000112.7G275 S276 D277G275-N335 WeakPolarHBondContact CA-OD1 3.35Å; S276-N335 PolarHBondContact O-N 3.35Å; D277-N335 PolarHBondContact OD1-N 2.89Å
336V92.6Very high88.7Confident1 Ų156 Ų561%0.00628%0.284CS..  trans-57.5132.2-170.6172.60000112.3V272 V274 G275 S276 V278 L333 T334 D340 L361 V363V272-V336 HydrophobicContact CG2-CB 4.22Å; V272-V336 HydrophobicContact CG2-CG1 3.82Å; V274-V336 WeakPolarHBondContact CA-O 3.19Å; G275-V336 PolarHBondContact N-O 2.76Å; S276-V336 VanDerWaalsContact O-CB 3.32Å; S276-V336 WeakPolarHBondContact O-CB 3.49Å; S276-V336 VanDerWaalsContact O-CG2 3.23Å; S276-V336 WeakPolarHBondContact O-CG2 3.4Å; S276-V336 PolarHBondContact O-N 3.07Å; V278-V336 HydrophobicContact CB-CG2 4.38Å; V278-V336 HydrophobicContact CG1-CG2 3.66Å; L333-V336 HydrophobicContact CB-CG2 4.2Å; T334-V336 PolarHBondContact O-N 3.32Å; V336-D340 HydrophobicContact CG1-CB 3.94Å; V336-L361 HydrophobicContact CG1-CD2 4.02Å; V336-V363 HydrophobicContact CG1-CG1 4.28Å; V336-V363 HydrophobicContact CG1-CG2 3.52Å
337T92.9Very high89.9Confident54 Ų5449.9 Ų49.933%0.33126%0.259SS..  trans-108.9172.4179.572.60000112.3E339 D340T337-E339 PolarHBondContact O-N 2.91Å; T337-E339 PolarHBondContact OG1-N 2.61Å; T337-D340 PolarHBondContact N-OD2 3.02Å; T337-D340 WeakPolarHBondContact O-CB 3.39Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å
338F91Very high90.6Very high120 Ų12045.1 Ų45.153%0.52624%0.237SC..G310 helixtrans-63.3-24.7172.4-70.2-65.7000113.5V274 D340 A341 V363 P365V274-F338 HydrophobicContact CG2-CD1 4.25Å; V274-F338 HydrophobicContact CG2-CD2 3.89Å; V274-F338 HydrophobicContact CG2-CE1 3.9Å; V274-F338 HydrophobicContact CG2-CE2 3.52Å; V274-F338 HydrophobicContact CG2-CG 4.25Å; V274-F338 HydrophobicContact CG2-CZ 3.52Å; F338-D340 PolarHBondContact O-N 2.87Å; F338-A341 WeakPolarHBondContact O-CB 3.41Å; F338-A341 PolarHBondContact O-N 3.34Å; F338-V363 HydrophobicContact CD1-CB 4.14Å; F338-V363 HydrophobicContact CD1-CG1 4.02Å; F338-V363 HydrophobicContact CE1-CG1 4.28Å; F338-V363 WeakPolarHBondContact CE1-O 3.48Å; F338-P365 HydrophobicContact CZ-CB 4.06Å
339E88.3Confident90.8Very high170 Ų17045.2 Ų45.279%0.79424%0.238SC*.G310 helixtrans-72.9-13.6175.1-59.6-177.9-174.300112.2K296 T337K296-E339 PolarHBondContact NZ-O 2.86Å; T337-E339 PolarHBondContact O-N 2.91Å; T337-E339 PolarHBondContact OG1-N 2.61Å
340D89.7Confident90.7Very high39 Ų3944 Ų4421%0.20923%0.233CC..G310 helixtrans-88.3-11.2174.6-60.7-58.5000113.7K296 V336 T337 F338 G342 Y344 L361K296-D340 IonicContact NZ-OD1 3.46Å; K296-D340 PolarHBondContact NZ-OD1 2.9Å; V336-D340 HydrophobicContact CG1-CB 3.94Å; T337-D340 PolarHBondContact N-OD2 3.02Å; T337-D340 WeakPolarHBondContact O-CB 3.39Å; T337-D340 PolarHBondContact O-N 2.95Å; T337-D340 PolarHBondContact OG1-OD2 3.33Å; F338-D340 PolarHBondContact O-N 2.87Å; D340-G342 PolarHBondContact O-N 2.99Å; D340-Y344 WeakPolarHBondContact O-CE2 3.19Å; D340-Y344 PolarHBondContact O-OH 2.73Å; D340-L361 HydrophobicContact CB-CD2 4.43Å
341A90.6Very high90.1Very high44 Ų4447.3 Ų47.336%0.36426%0.258SS..  trans-62.9135.8171.300000111F338 L361 V363F338-A341 WeakPolarHBondContact O-CB 3.41Å; F338-A341 PolarHBondContact O-N 3.34Å; A341-L361 WeakPolarHBondContact CA-O 3.49Å; A341-V363 HydrophobicContact CB-CB 4.35Å; A341-V363 HydrophobicContact CB-CG2 3.98Å
342G91.3Very high89.5Confident8 Ų851.1 Ų51.18%0.08228%0.277CS..EExtended strand (participates in β ladder)trans153.1-169.7-177.900000114.5D340 W360 L361D340-G342 PolarHBondContact O-N 2.99Å; G342-W360 WeakPolarHBondContact O-CA 3.47Å; G342-L361 PolarHBondContact N-O 3.16Å; G342-L361 VanDerWaalsContact N-O 3.1Å; G342-L361 PolarHBondContact O-N 3.36Å
343E93.9Very high89Confident49 Ų4947.1 Ų47.123%0.22927%0.265CS..EExtended strand (participates in β ladder)trans-94.6131.7179.8-170.9-180167.400111.3H297 S358 W360H297-E343 HydrophobicContact CB-CB 4.17Å; H297-E343 PolarHBondContact CD2-O 2.54Å; H297-E343 PolarHBondContact N-O 3.02Å; H297-E343 IonicContact NE2-OE1 3.76Å; E343-S358 WeakPolarHBondContact OE1-CB 3.38Å; E343-S358 PolarHBondContact OE1-OG 2.87Å; E343-W360 HydrophobicContact CB-CE3 3.8Å; E343-W360 HydrophobicContact CB-CZ3 3.86Å; E343-W360 HydrophobicContact CG-CE3 4.31Å
344Y94.8Very high88.6Confident1 Ų152.2 Ų52.20%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-119.8123.4178.3-70.4-101.8000109.4F280 L295 K296 L316 L331 L333 D340 S358 A359 L361F280-Y344 HydrophobicContact CE2-CD2 4.31Å; F280-Y344 HydrophobicContact CE2-CG 4.29Å; F280-Y344 HydrophobicContact CZ-CD2 4.5Å; L295-Y344 CarbonylContact O-C 3.57Å; L295-Y344 VanDerWaalsContact O-CA 3.32Å; L295-Y344 WeakPolarHBondContact O-CA 3.34Å; K296-Y344 HydrophobicContact CB-CD1 4.22Å; K296-Y344 HydrophobicContact CB-CE1 4.05Å; K296-Y344 HydrophobicContact CD-CE1 4.03Å; K296-Y344 WeakPolarHBondContact CE-OH 3.44Å; K296-Y344 HydrophobicContact CG-CD1 4.45Å; K296-Y344 HydrophobicContact CG-CE1 4Å; K296-Y344 HydrophobicContact CG-CE2 4.36Å; L316-Y344 HydrophobicContact CD1-CD1 3.81Å; L316-Y344 HydrophobicContact CD1-CE1 3.51Å; L331-Y344 HydrophobicContact CD2-CD1 3.64Å; L331-Y344 HydrophobicContact CD2-CE1 4.14Å; L333-Y344 HydrophobicContact CD1-CD1 4.47Å; L333-Y344 HydrophobicContact CD1-CE1 3.62Å; D340-Y344 WeakPolarHBondContact O-CE2 3.19Å; D340-Y344 PolarHBondContact O-OH 2.73Å; Y344-S358 CarbonylContact O-C 3.56Å; Y344-S358 WeakPolarHBondContact O-CA 3.45Å; Y344-A359 PolarHBondContact N-O 3.09Å; Y344-A359 PolarHBondContact O-N 3.11Å; Y344-L361 HydrophobicContact CD2-CB 4.06Å; Y344-L361 HydrophobicContact CE2-CB 3.78Å; Y344-L361 HydrophobicContact CE2-CD2 4.04Å
345T93.8Very high88.4Confident7 Ų749 Ų494%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-112.8129.9-179.5-55.20000110.4L295 H297 Y356 H357 S358L295-T345 PolarHBondContact N-O 2.77Å; L295-T345 PolarHBondContact O-N 2.84Å; H297-T345 PolarHBondContact NE2-OG1 2.67Å; T345-Y356 HydrophobicContact CG2-CD2 4.16Å; T345-Y356 HydrophobicContact CG2-CG 4.41Å; T345-H357 WeakPolarHBondContact CA-O 3.5Å; T345-S358 PolarHBondContact OG1-OG 3.27Å
346C93.4Very high88.6Confident0 Ų051.4 Ų51.40%027%0.27CS..EExtended strand (participates in β ladder)trans-88.9128.6161.8176.60000109C282 W294 Y356 H357C282-C346 HydrophobicContact CB-CB 3.45Å; C282-C346 VanDerWaalsContact CB-CB 3.45Å; C282-C346 WeakPolarHBondContact CB-SG 3.32Å; C282-C346 WeakPolarHBondContact SG-CB 3.3Å; C282-C346 CovalentContact SG-SG 2.02Å; C282-C346 PolarHBondContact SG-SG 3.1Å; W294-C346 HydrophobicContact CD2-CB 4.22Å; W294-C346 HydrophobicContact CE3-CB 4.01Å; W294-C346 HydrophobicContact CH2-CB 3.9Å; W294-C346 HydrophobicContact CZ2-CB 4.09Å; W294-C346 HydrophobicContact CZ3-CB 3.85Å; C346-Y356 WeakPolarHBondContact O-CA 3.27Å; C346-Y356 WeakPolarHBondContact O-CB 3.33Å; C346-H357 PolarHBondContact N-O 3.33Å; C346-H357 PolarHBondContact O-N 3.5Å; C346-H357 VanDerWaalsContact O-N 3.08Å
347L92.4Very high88.6Confident39 Ų3954.6 Ų54.620%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-119.4121.3177.1175.667.5000108.9I292 Q293 L295 F354I292-L347 WeakPolarHBondContact CA-O 3.44Å; Q293-L347 HydrophobicContact CB-CB 4.5Å; Q293-L347 PolarHBondContact N-O 2.83Å; Q293-L347 PolarHBondContact O-N 3.26Å; L295-L347 HydrophobicContact CD1-CB 4.27Å; L295-L347 HydrophobicContact CD1-CD2 4.2Å; L347-F354 HydrophobicContact CD1-CB 4.13Å; L347-F354 HydrophobicContact CD1-CD1 4.28Å
348A89.1Confident88.6Confident0 Ų054.2 Ų54.20%028%0.284CS..EExtended strand (participates in β ladder)trans-117.3127174.900000110.5P260 L262 V284 H291 I292 F354 A355P260-A348 HydrophobicContact CB-CB 3.92Å; P260-A348 HydrophobicContact CG-CB 4.33Å; L262-A348 HydrophobicContact CD2-CB 3.76Å; V284-A348 HydrophobicContact CG1-CB 3.7Å; V284-A348 HydrophobicContact CG2-CB 4.09Å; H291-A348 WeakPolarHBondContact O-CA 3.5Å; I292-A348 HydrophobicContact CG1-CB 4.47Å; A348-F354 CarbonylContact O-C 3.55Å; A348-F354 VanDerWaalsContact O-CA 3.3Å; A348-F354 WeakPolarHBondContact O-CA 3.42Å; A348-A355 PolarHBondContact N-O 3Å; A348-A355 PolarHBondContact O-N 2.93Å
349G85.3Confident88.8Confident3 Ų348.6 Ų48.63%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-121150.7177.400000113.1P290 H291 G353P290-G349 CarbonylContact C-O 3.58Å; P290-G349 WeakPolarHBondContact CA-O 3.38Å; H291-G349 PolarHBondContact N-O 2.85Å; H291-G349 PolarHBondContact O-N 2.62Å; G349-G353 CarbonylContact C-O 3.58Å; G349-G353 WeakPolarHBondContact CA-O 3.12Å
350N83.5Confident89.1Confident17 Ų1745.3 Ų45.39%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-138.1-173163.570.814.5000109.5H258 P260 S286 A288 I352 G353H258-N350 PolarHBondContact O-ND2 3.46Å; P260-N350 VanDerWaalsContact CD-CG 3.49Å; P260-N350 HydrophobicContact CG-CB 3.89Å; S286-N350 PolarHBondContact OG-ND2 2.95Å; A288-N350 HydrophobicContact CB-CB 4.28Å; N350-I352 PolarHBondContact O-N 3.3Å; N350-I352 WeakPolarHBondContact OD1-CA 3.35Å; N350-I352 VanDerWaalsContact OD1-CB 3.31Å; N350-I352 WeakPolarHBondContact OD1-CB 3.49Å; N350-I352 PolarHBondContact OD1-N 2.76Å; N350-G353 PolarHBondContact N-O 2.78Å; N350-G353 PolarHBondContact O-N 3.38Å; N350-G353 PolarHBondContact OD1-N 3.37Å
351S76.1Confident89.4Confident108 Ų10843.5 Ų43.576%0.75523%0.231SC*.THydrogen-bonded Turntrans-62-11.3179.151.80000115.3
352I78.2Confident89.5Confident87 Ų8744 Ų4445%0.44623%0.23SC..THydrogen-bonded Turntrans-101-27.1179.9-49.5-58.7000112P257 N350P257-I352 HydrophobicContact CB-CD1 3.93Å; P257-I352 HydrophobicContact CB-CG1 3.9Å; P257-I352 HydrophobicContact CG-CD1 3.83Å; P257-I352 HydrophobicContact CG-CG1 4.33Å; N350-I352 PolarHBondContact O-N 3.3Å; N350-I352 WeakPolarHBondContact OD1-CA 3.35Å; N350-I352 VanDerWaalsContact OD1-CB 3.31Å; N350-I352 WeakPolarHBondContact OD1-CB 3.49Å; N350-I352 PolarHBondContact OD1-N 2.76Å
353G79.4Confident89.6Confident18 Ų1844.3 Ų44.319%0.18623%0.23CC..EExtended strand (participates in β ladder)trans157.2-164.517700000114.1P260 G349 N350P260-G353 WeakPolarHBondContact CD-O 3.46Å; G349-G353 CarbonylContact C-O 3.58Å; G349-G353 WeakPolarHBondContact CA-O 3.12Å; N350-G353 PolarHBondContact N-O 2.78Å; N350-G353 PolarHBondContact O-N 3.38Å; N350-G353 PolarHBondContact OD1-N 3.37Å
354F85.1Confident89.4Confident137 Ų13745.9 Ų45.960%0.60124%0.239SC*.EExtended strand (participates in β ladder)trans-122.3152.6-173-58.8-92.8000112.8L347 A348L347-F354 HydrophobicContact CD1-CB 4.13Å; L347-F354 HydrophobicContact CD1-CD1 4.28Å; A348-F354 CarbonylContact O-C 3.55Å; A348-F354 VanDerWaalsContact O-CA 3.3Å; A348-F354 WeakPolarHBondContact O-CA 3.42Å
355A86.3Confident89.1Confident18 Ų1849.7 Ų49.715%0.14926%0.264CS..EExtended strand (participates in β ladder)trans-137.4148.9168.400000109.9P260 L262 A348P260-A355 WeakPolarHBondContact O-CB 3.16Å; L262-A355 HydrophobicContact CD1-CB 4.49Å; L262-A355 HydrophobicContact CG-CB 4.18Å; A348-A355 PolarHBondContact N-O 3Å; A348-A355 PolarHBondContact O-N 2.93Å
356Y92.3Very high88.2Confident160 Ų16052.4 Ų52.463%0.62729%0.288SS*.EExtended strand (participates in β ladder)trans-144.3152.2-178.966.7-90.2000112.1L262 T345 C346L262-Y356 VanDerWaalsContact CD1-C 3.4Å; L262-Y356 VanDerWaalsContact CD1-CA 3.5Å; T345-Y356 HydrophobicContact CG2-CD2 4.16Å; T345-Y356 HydrophobicContact CG2-CG 4.41Å; C346-Y356 WeakPolarHBondContact O-CA 3.27Å; C346-Y356 WeakPolarHBondContact O-CB 3.33Å
357H93.3Very high87.2Confident67 Ų6758.4 Ų58.431%0.3132%0.324SS..EExtended strand (participates in β ladder)trans-140.6142.5169.4-79.4165.9000109.4L262 Q263 L266 T345 C346L262-H357 HydrophobicContact CD1-CB 4.01Å; Q263-H357 PolarHBondContact O-ND1 2.86Å; L266-H357 WeakPolarHBondContact O-CB 3.12Å; L266-H357 PolarHBondContact O-ND1 3.37Å; T345-H357 WeakPolarHBondContact CA-O 3.5Å; C346-H357 PolarHBondContact N-O 3.33Å; C346-H357 PolarHBondContact O-N 3.5Å; C346-H357 VanDerWaalsContact O-N 3.08Å
358S93.3Very high85.6Confident46 Ų4664.1 Ų64.132%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-109.8152.5178.7-67.20000112.7E343 Y344 T345E343-S358 WeakPolarHBondContact OE1-CB 3.38Å; E343-S358 PolarHBondContact OE1-OG 2.87Å; Y344-S358 CarbonylContact O-C 3.56Å; Y344-S358 WeakPolarHBondContact O-CA 3.45Å; T345-S358 PolarHBondContact OG1-OG 3.27Å
359A94.4Very high84Confident2 Ų269.4 Ų69.42%0.01739%0.391CS..EExtended strand (participates in β ladder)trans-137.9152.4167.500000111.3P267 A268 N269 F280 Y344P267-A359 HydrophobicContact CB-CB 3.62Å; P267-A359 HydrophobicContact CG-CB 3.76Å; A268-A359 WeakPolarHBondContact O-CB 3.28Å; N269-A359 WeakPolarHBondContact OD1-CA 3.36Å; F280-A359 HydrophobicContact CD1-CB 4.07Å; F280-A359 HydrophobicContact CE1-CB 3.87Å; Y344-A359 PolarHBondContact N-O 3.09Å; Y344-A359 PolarHBondContact O-N 3.11Å
360W95Very high82.7Confident102 Ų10271.9 Ų71.939%0.38642%0.417SS..EExtended strand (participates in β ladder)trans-99.5134.4176.8-154.6-83.7000111.8N269 Q270 G342 E343N269-W360 WeakPolarHBondContact CA-O 3.43Å; N269-W360 PolarHBondContact OD1-N 3.44Å; Q270-W360 PolarHBondContact N-O 3.36Å; G342-W360 WeakPolarHBondContact O-CA 3.47Å; E343-W360 HydrophobicContact CB-CE3 3.8Å; E343-W360 HydrophobicContact CB-CZ3 3.86Å; E343-W360 HydrophobicContact CG-CE3 4.31Å
361L95.3Very high81.2Confident0 Ų078.8 Ų78.80%045%0.446CS..EExtended strand (participates in β ladder)trans-99.4119.1168.5-17353.8000109.7Q270 V272 V278 F280 L333 V336 D340 A341 G342 Y344 V363Q270-L361 HydrophobicContact CB-CD1 4.26Å; V272-L361 HydrophobicContact CG2-CD1 3.97Å; V278-L361 HydrophobicContact CG1-CD1 4.24Å; V278-L361 HydrophobicContact CG1-CD2 4.07Å; V278-L361 HydrophobicContact CG2-CD1 4.2Å; F280-L361 HydrophobicContact CE2-CB 4.41Å; F280-L361 HydrophobicContact CE2-CD1 4.47Å; F280-L361 HydrophobicContact CE2-CD2 4.33Å; F280-L361 HydrophobicContact CZ-CB 3.94Å; F280-L361 HydrophobicContact CZ-CD1 4.08Å; F280-L361 HydrophobicContact CZ-CG 4.41Å; L333-L361 HydrophobicContact CD1-CD2 4.1Å; V336-L361 HydrophobicContact CG1-CD2 4.02Å; D340-L361 HydrophobicContact CB-CD2 4.43Å; A341-L361 WeakPolarHBondContact CA-O 3.49Å; G342-L361 PolarHBondContact N-O 3.16Å; G342-L361 VanDerWaalsContact N-O 3.1Å; G342-L361 PolarHBondContact O-N 3.36Å; Y344-L361 HydrophobicContact CD2-CB 4.06Å; Y344-L361 HydrophobicContact CE2-CB 3.78Å; Y344-L361 HydrophobicContact CE2-CD2 4.04Å; L361-V363 HydrophobicContact CG-CG2 4.17Å
362T92.9Very high80.3Confident55 Ų5580 Ų8034%0.33744%0.444SS..EExtended strand (participates in β ladder)trans-105.7130.4173.4-54.60000109.1Q270 T271 V272 L364Q270-T362 PolarHBondContact O-N 2.83Å; T271-T362 CarbonylContact C-O 3.51Å; T271-T362 VanDerWaalsContact CA-O 3.28Å; T271-T362 WeakPolarHBondContact CA-O 3.4Å; T271-T362 HydrophobicContact CG2-CG2 4.08Å; V272-T362 PolarHBondContact N-O 3.08Å; T362-L364 HydrophobicContact CG2-CD2 4.38Å
363V93.4Very high79.3Confident14 Ų1482.2 Ų82.29%0.08546%0.457CS..EExtended strand (participates in β ladder)trans-116.8125.4-178.2-174.40000109.6V272 V274 V336 F338 A341 L361V272-V363 HydrophobicContact CG2-CG2 4.32Å; V272-V363 CarbonylContact O-C 3.5Å; V272-V363 WeakPolarHBondContact O-CA 3.38Å; V274-V363 HydrophobicContact CB-CG1 4.47Å; V274-V363 HydrophobicContact CG2-CG1 3.61Å; V336-V363 HydrophobicContact CG1-CG1 4.28Å; V336-V363 HydrophobicContact CG1-CG2 3.52Å; F338-V363 HydrophobicContact CD1-CB 4.14Å; F338-V363 HydrophobicContact CD1-CG1 4.02Å; F338-V363 HydrophobicContact CE1-CG1 4.28Å; F338-V363 WeakPolarHBondContact CE1-O 3.48Å; A341-V363 HydrophobicContact CB-CB 4.35Å; A341-V363 HydrophobicContact CB-CG2 3.98Å; L361-V363 HydrophobicContact CG-CG2 4.17Å
364L90.2Very high78.4Confident82 Ų8289.2 Ų89.243%0.42948%0.479SS..EExtended strand (participates in β ladder)trans-105.5145.5-176.7-61.9-178.7000111.4T271 V272 V273 V274 T362T271-L364 HydrophobicContact CG2-CD1 3.57Å; T271-L364 HydrophobicContact CG2-CD2 4.36Å; T271-L364 HydrophobicContact CG2-CG 3.73Å; V272-L364 PolarHBondContact O-N 2.9Å; V273-L364 WeakPolarHBondContact CA-O 3.15Å; V274-L364 PolarHBondContact N-O 3.13Å; T362-L364 HydrophobicContact CG2-CD2 4.38Å
365P87.6Confident77.3Confident82 Ų8289.8 Ų89.853%0.53248%0.478SS..  trans-62.2143.417426.8-34.3000111.4F338 V367F338-P365 HydrophobicContact CZ-CB 4.06Å; P365-V367 PolarHBondContact O-N 2.4Å; P365-V367 VanDerWaalsContact O-N 3.15Å
366A76Confident76.3Confident64 Ų6491.2 Ų91.253%0.52949%0.49SS..  trans-65.5112.6172.200000110.3V273 N368V273-A366 HydrophobicContact CG1-CB 3.88Å; A366-N368 PolarHBondContact O-N 3.29Å
367V71.4Confident75.2Confident125 Ų12588 Ų8876%0.75848%0.484SS*.  trans-78.5116.2175-179.50000108.5P365 S369P365-V367 PolarHBondContact O-N 2.4Å; P365-V367 VanDerWaalsContact O-N 3.15Å; V367-S369 PolarHBondContact O-N 2.74Å
368N59.3Low74.3Confident160 Ų16087.8 Ų87.886%0.85648%0.484SS*.  trans-71.578.6170.7-80.1-29.8000110.5A366 G370A366-N368 PolarHBondContact O-N 3.29Å; N368-G370 VanDerWaalsContact C-N 3.26Å; N368-G370 PolarHBondContact O-N 2.88Å
369S56.4Low73.5Confident110 Ų11090.8 Ų90.877%0.76950%0.496SS*.  trans-69.181.9170.558.50000110V367V367-S369 PolarHBondContact O-N 2.74Å
370G57.4Low72.9Confident55 Ų5595.9 Ų95.957%0.56752%0.522SS*.  trans-16151.8-170.300000113.6N368N368-G370 VanDerWaalsContact C-N 3.26Å; N368-G370 PolarHBondContact O-N 2.88Å
371K51.6Low72.2Confident163 Ų16399.4 Ų99.471%0.70954%0.536SS*.SBendtrans-169.4-26.2160.7-101.1135.7-160.3170.60115.3Y375K371-Y375 WeakPolarHBondContact O-CD2 3.41Å
372D56.8Low71.7Confident134 Ų134104.3 Ų104.372%0.71756%0.562SS**Hα-helixtrans-77.6-37.7-165.4-61-25.7000114.2Y374 Y375D372-Y374 VanDerWaalsContact C-N 3.27Å; D372-Y374 PolarHBondContact O-N 3.44Å; D372-Y375 PolarHBondContact O-N 3.19Å
373D58.6Low71.3Confident132 Ų132105.7 Ų105.771%0.70657%0.57SS**Hα-helixtrans-62.1-32.7179-62.5-36.8000113Y375 A376 D377D373-Y375 VanDerWaalsContact C-N 3.28Å; D373-Y375 PolarHBondContact O-N 2.81Å; D373-A376 PolarHBondContact O-N 2.56Å; D373-A376 VanDerWaalsContact O-N 3.17Å; D373-D377 PolarHBondContact O-N 3.17Å
374Y60.4Low70.9Confident166 Ų166106.9 Ų106.965%0.65159%0.586SS**Hα-helixtrans-63.7-32-179.8-175.3-107.9000112.9D372 I378D372-Y374 VanDerWaalsContact C-N 3.27Å; D372-Y374 PolarHBondContact O-N 3.44Å; Y374-I378 HydrophobicContact CD1-CD1 3.82Å; Y374-I378 HydrophobicContact CE1-CD1 3.39Å; Y374-I378 HydrophobicContact CE2-CD1 4.32Å; Y374-I378 HydrophobicContact CG-CD1 4.45Å; Y374-I378 WeakPolarHBondContact O-CG1 2.95Å; Y374-I378 PolarHBondContact O-N 3.47Å
375Y61.5Low70.7Confident149 Ų149106.6 Ų106.658%0.58459%0.59SS**Hα-helixtrans-77.1-32.5176.2-71.6-78.7000112.3K371 D372 D373 L379K371-Y375 WeakPolarHBondContact O-CD2 3.41Å; D372-Y375 PolarHBondContact O-N 3.19Å; D373-Y375 VanDerWaalsContact C-N 3.28Å; D373-Y375 PolarHBondContact O-N 2.81Å; Y375-L379 VanDerWaalsContact O-CG 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.04Å
376A66.3Low70.7Confident48 Ų48106.5 Ų106.540%0.39759%0.587SS.*Hα-helixtrans-64.3-47.8176.400000111.3D373 I378 L379 I380D373-A376 PolarHBondContact O-N 2.56Å; D373-A376 VanDerWaalsContact O-N 3.17Å; A376-I378 PolarHBondContact O-N 3.39Å; A376-L379 PolarHBondContact O-N 2.83Å; A376-I380 WeakPolarHBondContact O-CG1 3.35Å; A376-I380 PolarHBondContact O-N 2.8Å
377D67.6Low71.3Confident93 Ų93109.3 Ų109.350%0.49759%0.593SS.*Hα-helixtrans-60.3-44.7176.8-80-20.2000112D373 L379 I380 Y381D373-D377 PolarHBondContact O-N 3.17Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.32Å; D377-I380 PolarHBondContact O-N 2.76Å; D377-Y381 WeakPolarHBondContact O-CD2 3.34Å; D377-Y381 PolarHBondContact O-N 2.89Å
378I74.2Confident72.1Confident62 Ų62110.3 Ų110.332%0.31859%0.587SS.*Hα-helixtrans-59.4-41.8176.5-73171.8000111.5Y374 A376 Y381 L382Y374-I378 HydrophobicContact CD1-CD1 3.82Å; Y374-I378 HydrophobicContact CE1-CD1 3.39Å; Y374-I378 HydrophobicContact CE2-CD1 4.32Å; Y374-I378 HydrophobicContact CG-CD1 4.45Å; Y374-I378 WeakPolarHBondContact O-CG1 2.95Å; Y374-I378 PolarHBondContact O-N 3.47Å; A376-I378 PolarHBondContact O-N 3.39Å; I378-Y381 PolarHBondContact O-N 2.85Å; I378-L382 HydrophobicContact CG2-CD1 3.74Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 3.38Å
379L76.2Confident73.4Confident108 Ų108106.9 Ų106.957%0.56557%0.572SS**Hα-helixtrans-66.3-37.3177.8-73168.1000112.1Y375 A376 D377 T383Y375-L379 VanDerWaalsContact O-CG 3.28Å; Y375-L379 WeakPolarHBondContact O-CG 3.29Å; Y375-L379 PolarHBondContact O-N 3.04Å; A376-L379 PolarHBondContact O-N 2.83Å; D377-L379 VanDerWaalsContact C-N 3.31Å; D377-L379 PolarHBondContact O-N 3.32Å; L379-T383 WeakPolarHBondContact O-CB 2.96Å; L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.58Å; L379-T383 PolarHBondContact O-OG1 3.31Å
380I81.9Confident74.9Confident110 Ų110107.8 Ų107.856%0.56456%0.562SS**Hα-helixtrans-65.6-45.5174.5-67.2164.9000110.6A376 D377 T383 G384A376-I380 WeakPolarHBondContact O-CG1 3.35Å; A376-I380 PolarHBondContact O-N 2.8Å; D377-I380 PolarHBondContact O-N 2.76Å; I380-T383 PolarHBondContact O-OG1 3.38Å; I380-T383 VanDerWaalsContact O-OG1 3.09Å; I380-G384 PolarHBondContact O-N 3.41Å
381Y82Confident76.2Confident175 Ų175107.5 Ų107.569%0.68655%0.554SS**Hα-helixtrans-64.4-42176.8-87.4-76.4000112.6D377 I378 C385D377-Y381 WeakPolarHBondContact O-CD2 3.34Å; D377-Y381 PolarHBondContact O-N 2.89Å; I378-Y381 PolarHBondContact O-N 2.85Å; Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 3.06Å; Y381-C385 PolarHBondContact O-SG 2.93Å
382L83.6Confident77.7Confident104 Ų104103.4 Ų103.455%0.54554%0.543SS..Hα-helixtrans-64.7-46177.3-75.5171000112.1I378 C385 V386I378-L382 HydrophobicContact CG2-CD1 3.74Å; I378-L382 HydrophobicContact CG2-CG 4.3Å; I378-L382 WeakPolarHBondContact O-CB 3.38Å; I378-L382 VanDerWaalsContact O-CG 3.29Å; I378-L382 WeakPolarHBondContact O-CG 3.2Å; I378-L382 PolarHBondContact O-N 3.38Å; L382-C385 PolarHBondContact O-N 3.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.39Å; L382-V386 PolarHBondContact O-N 3.19Å
383T84.6Confident79Confident83 Ų83100.3 Ų100.351%0.50953%0.529SS..Hα-helixtrans-65.5-40.8177.2490000111.8L379 I380 C385 V386 L387L379-T383 WeakPolarHBondContact O-CB 2.96Å; L379-T383 WeakPolarHBondContact O-CG2 3.47Å; L379-T383 PolarHBondContact O-N 2.58Å; L379-T383 PolarHBondContact O-OG1 3.31Å; I380-T383 PolarHBondContact O-OG1 3.38Å; I380-T383 VanDerWaalsContact O-OG1 3.09Å; T383-C385 PolarHBondContact O-N 3.39Å; T383-V386 PolarHBondContact O-N 3.04Å; T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 3.22Å
384G84.9Confident80.2Confident40 Ų4098.8 Ų98.841%0.41252%0.52SS..Hα-helixtrans-59-44.7172.500000113.1I380 L387 F388I380-G384 PolarHBondContact O-N 3.41Å; G384-L387 PolarHBondContact O-N 3.12Å; G384-F388 WeakPolarHBondContact O-CB 3.32Å; G384-F388 PolarHBondContact O-N 2.84Å
385C86.1Confident81.2Confident76 Ų7694.5 Ų94.551%0.51451%0.511SS..Hα-helixtrans-63-43.1176.5-71.90000112.4Y381 L382 T383 F388 V389Y381-C385 WeakPolarHBondContact O-CB 3.47Å; Y381-C385 PolarHBondContact O-N 3.06Å; Y381-C385 PolarHBondContact O-SG 2.93Å; L382-C385 PolarHBondContact O-N 3.43Å; T383-C385 PolarHBondContact O-N 3.39Å; C385-F388 PolarHBondContact O-N 2.86Å; C385-V389 WeakPolarHBondContact O-CG2 3.16Å; C385-V389 PolarHBondContact O-N 3.46Å
386V88.5Confident82Confident80 Ų8093.7 Ų93.749%0.48551%0.51SS..Hα-helixtrans-62.5-45.3177.61700000111.1L382 T383 F388 V389 F390L382-V386 WeakPolarHBondContact O-CG2 3.39Å; L382-V386 PolarHBondContact O-N 3.19Å; T383-V386 PolarHBondContact O-N 3.04Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.4Å; V386-V389 PolarHBondContact O-N 2.78Å; V386-F390 HydrophobicContact CG1-CD2 3.76Å; V386-F390 HydrophobicContact CG1-CE2 3.74Å; V386-F390 WeakPolarHBondContact O-CD2 3.16Å; V386-F390 PolarHBondContact O-N 2.62Å
387L88.1Confident82.6Confident123 Ų12396.3 Ų96.364%0.64452%0.517SS*.Hα-helixtrans-62.5-39.3176.8-70.4172.8000112.3T383 G384 F390 A391T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 3.22Å; G384-L387 PolarHBondContact O-N 3.12Å; L387-F390 PolarHBondContact O-N 2.96Å; L387-A391 PolarHBondContact O-N 2.76Å
388F87.4Confident82.7Confident146 Ų14695.4 Ų95.464%0.6452%0.517SS*.Hα-helixtrans-63.4-44175-176.7-99.7000112.2G384 C385 V386 F390 A391 V392G384-F388 WeakPolarHBondContact O-CB 3.32Å; G384-F388 PolarHBondContact O-N 2.84Å; C385-F388 PolarHBondContact O-N 2.86Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.4Å; F388-F390 PolarHBondContact O-N 2.92Å; F388-A391 PolarHBondContact O-N 3.3Å; F388-V392 HydrophobicContact CD1-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.9Å; F388-V392 HydrophobicContact CZ-CG2 4.05Å; F388-V392 WeakPolarHBondContact O-CG2 3.3Å; F388-V392 PolarHBondContact O-N 3.17Å
389V87.1Confident82.5Confident88 Ų88101.4 Ų101.453%0.53354%0.536SS..Hα-helixtrans-61.9-44175.5172.10000111.1C385 V386 A391 V392 V393C385-V389 WeakPolarHBondContact O-CG2 3.16Å; C385-V389 PolarHBondContact O-N 3.46Å; V386-V389 PolarHBondContact O-N 2.78Å; V389-A391 VanDerWaalsContact C-N 3.35Å; V389-A391 PolarHBondContact O-N 2.96Å; V389-V392 PolarHBondContact O-N 2.82Å; V389-V393 HydrophobicContact CG1-CG2 4.45Å; V389-V393 WeakPolarHBondContact O-CG2 3.32Å; V389-V393 PolarHBondContact O-N 2.88Å
390F88.4Confident82.1Confident128 Ų128101.4 Ų101.456%0.56153%0.534SS*.Hα-helixtrans-59.9-42.4174.1-88.9-69.7000112.4V386 L387 F388 V392 V393 I394V386-F390 HydrophobicContact CG1-CD2 3.76Å; V386-F390 HydrophobicContact CG1-CE2 3.74Å; V386-F390 WeakPolarHBondContact O-CD2 3.16Å; V386-F390 PolarHBondContact O-N 2.62Å; L387-F390 PolarHBondContact O-N 2.96Å; F388-F390 PolarHBondContact O-N 2.92Å; F390-V392 PolarHBondContact O-N 3.49Å; F390-V393 PolarHBondContact O-N 2.77Å; F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 2.76Å
391A83.8Confident81.1Confident49 Ų49106.4 Ų106.441%0.40555%0.546SS..Hα-helixtrans-61.7-42.8176.200000112.1L387 F388 V389 I394 V395L387-A391 PolarHBondContact O-N 2.76Å; F388-A391 PolarHBondContact O-N 3.3Å; V389-A391 VanDerWaalsContact C-N 3.35Å; V389-A391 PolarHBondContact O-N 2.96Å; A391-I394 PolarHBondContact O-N 3.36Å; A391-V395 WeakPolarHBondContact O-CG2 3.33Å; A391-V395 PolarHBondContact O-N 2.82Å
392V84.2Confident79.9Confident78 Ų78105.9 Ų105.947%0.47355%0.552SS.*Hα-helixtrans-64-42.3175.9173.20000111.5F388 V389 F390 V395 F396F388-V392 HydrophobicContact CD1-CG2 4.29Å; F388-V392 HydrophobicContact CE1-CG2 3.9Å; F388-V392 HydrophobicContact CZ-CG2 4.05Å; F388-V392 WeakPolarHBondContact O-CG2 3.3Å; F388-V392 PolarHBondContact O-N 3.17Å; V389-V392 PolarHBondContact O-N 2.82Å; F390-V392 PolarHBondContact O-N 3.49Å; V392-V395 PolarHBondContact O-N 3.46Å; V392-F396 WeakPolarHBondContact O-CB 3.47Å; V392-F396 PolarHBondContact O-N 2.84Å
393V84.3Confident78.2Confident69 Ų69106.5 Ų106.542%0.41856%0.56SS.*Hα-helixtrans-63.3-43.5175.6170.90000111.2V389 F390 F396 L397V389-V393 HydrophobicContact CG1-CG2 4.45Å; V389-V393 WeakPolarHBondContact O-CG2 3.32Å; V389-V393 PolarHBondContact O-N 2.88Å; F390-V393 PolarHBondContact O-N 2.77Å; V393-F396 PolarHBondContact O-N 3.43Å; V393-L397 HydrophobicContact CG1-CD1 3.94Å; V393-L397 HydrophobicContact CG1-CG 4.36Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.85Å
394I83.6Confident76.4Confident99 Ų99107.2 Ų107.251%0.50856%0.564SS.*Hα-helixtrans-61.6-46.1175.7-69.4165.4000110.5F390 A391 F396 L397 C398F390-I394 WeakPolarHBondContact O-CB 3.5Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.42Å; F390-I394 PolarHBondContact O-N 2.76Å; A391-I394 PolarHBondContact O-N 3.36Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 2.79Å; I394-L397 PolarHBondContact O-N 3.12Å; I394-C398 WeakPolarHBondContact O-CB 3.38Å; I394-C398 PolarHBondContact O-N 3.39Å; I394-C398 PolarHBondContact O-SG 2.94Å
395V81.6Confident74.2Confident77 Ų77114.3 Ų114.347%0.46759%0.587SS.*Hα-helixtrans-60.8-38.5176.4168.70000111.7A391 V392 R399A391-V395 WeakPolarHBondContact O-CG2 3.33Å; A391-V395 PolarHBondContact O-N 2.82Å; V392-V395 PolarHBondContact O-N 3.46Å; V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 WeakPolarHBondContact O-CG 3.2Å; V395-R399 PolarHBondContact O-N 3.18Å
396F78.8Confident71.8Confident132 Ų132120.3 Ų120.358%0.57960%0.604SS**Hα-helixtrans-66.2-47.3175.9-171.3-102.9000111.9V392 V393 I394 C398 R399 M400V392-F396 WeakPolarHBondContact O-CB 3.47Å; V392-F396 PolarHBondContact O-N 2.84Å; V393-F396 PolarHBondContact O-N 3.43Å; I394-F396 VanDerWaalsContact C-N 3.29Å; I394-F396 PolarHBondContact O-N 2.79Å; F396-C398 PolarHBondContact O-N 3.41Å; F396-R399 PolarHBondContact O-N 3.18Å; F396-R399 VanDerWaalsContact O-N 3.15Å; F396-M400 HydrophobicContact CD1-CG 4.3Å; F396-M400 HydrophobicContact CD1-SD 3.85Å; F396-M400 HydrophobicContact CE1-CG 4.06Å; F396-M400 HydrophobicContact CE1-SD 3.34Å; F396-M400 WeakPolarHBondContact CE1-SD 3.43Å; F396-M400 HydrophobicContact CZ-CG 4.35Å; F396-M400 HydrophobicContact CZ-SD 3.99Å; F396-M400 WeakPolarHBondContact O-CG 3.09Å; F396-M400 PolarHBondContact O-N 3.28Å
397L76.9Confident69.2Low103 Ų103123 Ų12354%0.53962%0.621SS.*Hα-helixtrans-61.6-41.4175.6-69.3171.6000112.1V393 I394 R399 M400 R401V393-L397 HydrophobicContact CG1-CD1 3.94Å; V393-L397 HydrophobicContact CG1-CG 4.36Å; V393-L397 VanDerWaalsContact O-CG 3.31Å; V393-L397 WeakPolarHBondContact O-CG 3.31Å; V393-L397 PolarHBondContact O-N 2.85Å; I394-L397 PolarHBondContact O-N 3.12Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.88Å; L397-M400 PolarHBondContact O-N 2.89Å; L397-R401 WeakPolarHBondContact O-CB 3.37Å; L397-R401 PolarHBondContact O-N 3.09Å
398C71.4Confident66.8Low74 Ų74124.3 Ų124.350%0.563%0.628SS.*Hα-helixtrans-62.1-40.3173.3-73.90000112I394 F396 R401 M402I394-C398 WeakPolarHBondContact O-CB 3.38Å; I394-C398 PolarHBondContact O-N 3.39Å; I394-C398 PolarHBondContact O-SG 2.94Å; F396-C398 PolarHBondContact O-N 3.41Å; C398-R401 PolarHBondContact O-N 2.78Å; C398-M402 VanDerWaalsContact O-CG 3.25Å; C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 3.34Å; C398-M402 VanDerWaalsContact O-N 3.16Å
399R68.5Low64.6Low188 Ų188123.1 Ų123.171%0.70964%0.635SS**Hα-helixtrans-67.7-42.9176-80.3-179.1166.8171.7-2.4112.5V395 F396 L397 R401 M402 T403V395-R399 WeakPolarHBondContact O-CB 3.3Å; V395-R399 WeakPolarHBondContact O-CG 3.2Å; V395-R399 PolarHBondContact O-N 3.18Å; F396-R399 PolarHBondContact O-N 3.18Å; F396-R399 VanDerWaalsContact O-N 3.15Å; L397-R399 VanDerWaalsContact C-N 3.35Å; L397-R399 PolarHBondContact O-N 2.88Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.03Å; R399-M402 PolarHBondContact O-N 2.87Å; R399-T403 PolarHBondContact O-N 2.76Å; R399-T403 PolarHBondContact O-OG1 3.06Å
400M67.9Low62Low108 Ų108124.7 Ų124.753%0.53265%0.645SS.*Hα-helixtrans-61.2-38.2174.4-69.7-172.778.600112.5F396 L397 M402 T403F396-M400 HydrophobicContact CD1-CG 4.3Å; F396-M400 HydrophobicContact CD1-SD 3.85Å; F396-M400 HydrophobicContact CE1-CG 4.06Å; F396-M400 HydrophobicContact CE1-SD 3.34Å; F396-M400 WeakPolarHBondContact CE1-SD 3.43Å; F396-M400 HydrophobicContact CZ-CG 4.35Å; F396-M400 HydrophobicContact CZ-SD 3.99Å; F396-M400 WeakPolarHBondContact O-CG 3.09Å; F396-M400 PolarHBondContact O-N 3.28Å; L397-M400 PolarHBondContact O-N 2.89Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.01Å; M400-T403 PolarHBondContact O-OG1 3.25Å
401R60.7Low60.1Low214 Ų214124.2 Ų124.281%0.80866%0.655SS**Hα-helixtrans-71.5-25.3178.2-162.6174.9-176.4-175.21.2113.2L397 C398 R399L397-R401 WeakPolarHBondContact O-CB 3.37Å; L397-R401 PolarHBondContact O-N 3.09Å; C398-R401 PolarHBondContact O-N 2.78Å; R399-R401 VanDerWaalsContact C-N 3.31Å; R399-R401 PolarHBondContact O-N 3.03Å
402M57Low58.1Low164 Ų164127 Ų12781%0.80867%0.669SS**Hα-helixtrans-86.7-12.3179.5-72.8-69.817600114.1C398 R399 M400 T404C398-M402 VanDerWaalsContact O-CG 3.25Å; C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 3.34Å; C398-M402 VanDerWaalsContact O-N 3.16Å; R399-M402 PolarHBondContact O-N 2.87Å; M400-M402 VanDerWaalsContact C-N 3.32Å; M400-M402 PolarHBondContact O-N 3.01Å; M402-T404 VanDerWaalsContact C-N 3.32Å
403T48.5Very low55.7Low117 Ų117129.5 Ų129.572%0.71868%0.684SS**THydrogen-bonded Turntrans-80.4-7.4175.336.50000114.6R399 M400R399-T403 PolarHBondContact O-N 2.76Å; R399-T403 PolarHBondContact O-OG1 3.06Å; M400-T403 PolarHBondContact O-OG1 3.25Å
404T47.5Very low53.2Low98 Ų98135.5 Ų135.560%0.60171%0.707SS**SBendtrans-123.569.4-175.4560000113.1M402M402-T404 VanDerWaalsContact C-N 3.32Å
405Q38.1Very low50.6Low189 Ų189139.7 Ų139.788%0.88372%0.722SS**  trans172.7119.8145.9-98.7164.929.500112.6
406K36.5Very low48Very low202 Ų202143 Ų14388%0.87874%0.736SS**  trans-154.9122.3156.4-79.7-164179.9179.50111.3
407T33.1Very low45.6Very low136 Ų136140.9 Ų140.983%0.83474%0.738SS**  trans168.2102.8140.637.20000107.9
408L37.8Very low43.3Very low151 Ų151145.5 Ų145.579%0.79175%0.753SS**  79.6136.292-154.162.1000112
409P40.1Very low41.1Very low122 Ų122151.5 Ų151.579%0.79277%0.771SS**  cis-144.1175.141.240.8-18.9000120.6
410T32.5Very low40.2Very low121 Ų121147.2 Ų147.274%0.74277%0.768SS**  trans-93176.9172.250.60000112
411P48.7Very low38.3Very low118 Ų118148.5 Ų148.577%0.76678%0.776SS**  cis-134.5-144.419.241.8-18.2000111.8
412P42.5Very low36.6Very low108 Ų108146.5 Ų146.570%0.70177%0.774SS**  cis-138.6152.5-10.237.6-17.2000119.6
413V34.5Very low35.2Very low130 Ų130147.9 Ų147.979%0.78877%0.77SS**  trans41117.3135.4-170.90000122.1
414Q31Very low34.1Very low194 Ų194149.1 Ų149.191%0.90777%0.767SS**  -159.8155.9115.6-106.6178.615.700113.1
415K29.6Very low32.9Very low188 Ų188150.5 Ų150.582%0.81778%0.775SS**  trans-84.5173.7-178.3-57.1179.4177.5177.90110.2
416L26.6Very low32.3Very low145 Ų145145.6 Ų145.676%0.75976%0.762SS**  cis-169.813933.1-133140.1000110.6
417S28.9Very low31.9Very low88 Ų88142.9 Ų142.962%0.61576%0.756SS**  trans29.3148.5150.877.30000126
418K28.6Very low31.5Very low200 Ų200143.2 Ų143.287%0.8775%0.753SS**  trans106.3123.7145.4-70.6178.7178.7178.40119.8
419F25.1Very low31Very low200 Ų200140.8 Ų140.888%0.87775%0.748SS**  trans-46.9175.9150.8-78.5-83000114.5
420P49.2Very low30.3Very low99 Ų99142.6 Ų142.664%0.64375%0.752SS**  cis-139.4-167.2-20.830.3-7.3000114.7
421L28Very low29.9Very low134 Ų134141.9 Ų141.970%0.70275%0.752SS**  trans82.9129.5142.9-107.3122.4000121.5
422K25Very low28.8Very low173 Ų173141 Ų14175%0.75275%0.748SS**  trans66.8153.8149.5-94.2175.4-1681700117.5
423R26.6Very low28.1Very low193 Ų193144.9 Ų144.973%0.72876%0.759SS**  cis-166.1153.6-9.9-154.9-179.1174.1-178.9-2.4108.8
424Q25.4Very low27.8Very low142 Ų142146.5 Ų146.566%0.66476%0.763SS**  trans76.8149.2139.2-121.7170.1-32.700122.5
425V24.3Very low27.7Very low127 Ų127142.1 Ų142.177%0.7775%0.754SS**  trans74.5129.4158.9-179.90000115.7
426S24.4Very low27.8Very low86 Ų86141 Ų14160%0.60176%0.758SS**  cis-174.7171.4-9.253.20000111.4
427L27.2Very low28.1Very low145 Ų145139.6 Ų139.676%0.75976%0.755SS**  trans67.7142.8167.9-85.869.2000114.7
428D26.1Very low28.4Very low144 Ų144140.9 Ų140.977%0.7776%0.761SS**  cis-138.6174.115.8-97.1-47.9000114.5
429S26.3Very low28.8Very low99 Ų99139.6 Ų139.669%0.69276%0.763SS**  trans-86.4169.9-170.7-55.80000116.2
430N25.6Very low29.2Very low161 Ų161134.6 Ų134.686%0.86175%0.749SS**  trans74.4136.4162.7-62.1-15.4000116.4
431S25.2Very low28.3Very low106 Ų106141.5 Ų141.574%0.74176%0.762SS**  cis-158174.67.150.50000112.4
432S24.1Very low28.5Very low100 Ų100142 Ų14270%0.69976%0.763SS**  trans71.5102.9174.473.20000117.1
433M27.7Very low28.6Very low188 Ų188137.8 Ų137.893%0.92676%0.761SS**  trans-129.6102.1159.8-81.4-73.9100.500107.7
434N28.9Very low28.8Very low164 Ų164139.3 Ų139.388%0.87777%0.767SS**  trans-121.778.8-176.5-157.140.7000109.3
435S29Very low28.8Very low102 Ų102140.6 Ų140.671%0.71378%0.777SS**  trans177.2105.8161.855.10000110.9
436N32.8Very low29Very low166 Ų166140.3 Ų140.389%0.88878%0.781SS**  trans-127.986.3161.6-87.7-12.4000108.8
437T32.8Very low29.1Very low114 Ų114141.8 Ų141.870%0.69979%0.791SS**  trans-64.615215745.40000109.3L439T437-L439 PolarHBondContact O-N 3.3Å
438P34.3Very low29.3Very low116 Ų116139.8 Ų139.875%0.75379%0.79SS**  trans-63126.7177.726.2-33.6000110.1V440P438-V440 PolarHBondContact O-N 3.29Å
439L37.8Very low29.4Very low173 Ų173140.5 Ų140.591%0.90679%0.794SS**  trans-76.169.2178.8-77.7167.9000111.3T437T437-L439 PolarHBondContact O-N 3.3Å
440V33.2Very low29.6Very low95 Ų95138.4 Ų138.458%0.57679%0.787SS**  trans-119.897.2167.8-175.90000108.3P438 I442 L459P438-V440 PolarHBondContact O-N 3.29Å; V440-I442 PolarHBondContact O-N 2.96Å; V440-L459 HydrophobicContact CG1-CD1 4.2Å
441R30.9Very low30Very low244 Ų244137.5 Ų137.592%0.92179%0.79SS**  trans-85107.1170.2-91.5-173.2178.91541.6109.3A443R441-A443 PolarHBondContact O-N 3.34Å
442I31Very low30.2Very low143 Ų143140.6 Ų140.673%0.73380%0.795SS**  trans-73.394.7166.7-57170.3000107.9V440V440-I442 PolarHBondContact O-N 2.96Å
443A27.1Very low30.7Very low85 Ų85144.1 Ų144.170%0.70281%0.805SS**  trans-93.4108171.400000109.6R441R441-A443 PolarHBondContact O-N 3.34Å
444R29.9Very low30.9Very low225 Ų225139.1 Ų139.185%0.84979%0.794SS**  trans-84.7109.8166.8-73.4-172.3175.6103.7-0.7109.1
445L26.2Very low31Very low169 Ų169139 Ų13989%0.88579%0.793SS**  trans-132128.2165.6-73.1174.6000109.4
446S29.2Very low31.6Very low121 Ų121138.4 Ų138.485%0.84679%0.785SS**  trans-102.6123.2-175.9-490000110.5
447S26.9Very low32Very low117 Ų117134.1 Ų134.182%0.81877%0.768SS**  trans-172.2116148.854.70000114.6
448S30.6Very low32.6Very low104 Ų104137.9 Ų137.973%0.72778%0.777SS**  trans61.8125138-113.40000123.3
449D27.6Very low33.6Very low159 Ų159136.4 Ų136.485%0.8576%0.763SS**  trans78.983.1141.2-54.6-44.9000121.1
450G30.6Very low34.7Very low54 Ų54137 Ų13756%0.55776%0.761SS**  trans-173.2146.315900000110.8M452G450-M452 PolarHBondContact O-N 2.79Å
451P33.8Very low36.7Very low142 Ų142133.7 Ų133.792%0.92274%0.74SS**  trans-71.8112.8-17528.8-33.4000111
452M29.8Very low39.1Very low171 Ų171127.4 Ų127.484%0.84273%0.731SS**PPolyproline II helixtrans-78.2133.1-170.3-56.1-163.184.100113.5G450G450-M452 PolarHBondContact O-N 2.79Å
453L35.7Very low41.5Very low175 Ų175123.6 Ų123.692%0.91672%0.717SS**PPolyproline II helixtrans-70.7132.9145.1-83.1161.6000108
454A30.9Very low44.6Very low83 Ų83121.8 Ų121.869%0.68670%0.695SS**PPolyproline II helixtrans-91.4147-176.500000112.4
455N31.9Very low47.5Very low161 Ų161116.5 Ų116.586%0.86169%0.69SS**SBendtrans76.941.3160.3-61.6-7.7000120.1
456V40.2Very low50.6Low89 Ų89115.7 Ų115.754%0.53968%0.68SS.*  trans-127.8137.9148.6-175.80000108.5E458V456-E458 PolarHBondContact O-N 2.92Å
457S42.3Very low53.7Low76 Ų76111.7 Ų111.753%0.53165%0.646SS.*  trans-69.7115.3174.2-60.20000108.8L459 D518S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 2.94Å; S457-D518 PolarHBondContact N-OD1 3.43Å; S457-D518 PolarHBondContact OG-OD2 2.81Å
458E45.7Very low57Low193 Ų193108.7 Ų108.790%0.90262%0.619SS**  trans-69.487-176-160.2164.5-140.300110.7V456 E460V456-E458 PolarHBondContact O-N 2.92Å; E458-E460 PolarHBondContact O-N 2.02Å
459L53.6Low60.1Low85 Ų85104.4 Ų104.445%0.44559%0.587SS.*  trans-81.599.1-178.6-16981.4000108.8V440 S457 L461 L521V440-L459 HydrophobicContact CG1-CD1 4.2Å; S457-L459 VanDerWaalsContact C-N 3.31Å; S457-L459 PolarHBondContact O-N 2.94Å; L459-L461 HydrophobicContact CD2-CD2 4.14Å; L459-L461 PolarHBondContact O-N 3.49Å; L459-L521 HydrophobicContact CB-CD2 4.17Å; L459-L521 HydrophobicContact CD2-CD2 4.47Å
460E61Low63.3Low186 Ų18699.7 Ų99.787%0.86957%0.566SS**  trans-59.6101.8172.4-72.6-172.6164.400110.4E458E458-E460 PolarHBondContact O-N 2.02Å
461L76.3Confident66.3Low25 Ų2599.9 Ų99.913%0.13155%0.549CS..PPolyproline II helixtrans-73.6134.6173.5-69.7171.8000109.5L459 S463 V525 Q549 L553L459-L461 HydrophobicContact CD2-CD2 4.14Å; L459-L461 PolarHBondContact O-N 3.49Å; L461-S463 PolarHBondContact O-N 2.9Å; L461-V525 HydrophobicContact CD1-CG2 3.93Å; L461-V525 HydrophobicContact CD2-CG1 3.93Å; L461-V525 HydrophobicContact CD2-CG2 3.71Å; L461-V525 HydrophobicContact CG-CG2 4.46Å; L461-Q549 PolarHBondContact O-NE2 3.41Å; L461-L553 HydrophobicContact CD1-CD1 3.94Å; L461-L553 HydrophobicContact CD1-CD2 4.02Å; L461-L553 HydrophobicContact CD1-CG 4.39Å
462P81.6Confident69.2Low112 Ų11299.7 Ų99.773%0.72755%0.546SS*.PPolyproline II helixtrans-66.1127.4178.627.2-33.8000110.4D464P462-D464 PolarHBondContact O-N 3.13Å
463S81.1Confident72.3Confident64 Ų6495.7 Ų95.745%0.44852%0.521SS..PPolyproline II helixtrans-60.2130.8176-172.60000111.4L461 P465L461-S463 PolarHBondContact O-N 2.9Å; S463-P465 WeakPolarHBondContact O-CD 3.48Å
464D91Very high75.2Confident46 Ų4688.3 Ų88.325%0.24648%0.482CS..  trans-118.291.4175.1-174.9-18.2000109.9P462 K466 W467 E468 K532P462-D464 PolarHBondContact O-N 3.13Å; D464-K466 PolarHBondContact O-N 3.45Å; D464-K466 WeakPolarHBondContact OD1-CB 3.42Å; D464-K466 PolarHBondContact OD1-N 3.4Å; D464-W467 PolarHBondContact O-N 3.32Å; D464-W467 VanDerWaalsContact OD2-CD1 3.29Å; D464-E468 PolarHBondContact O-N 2.81Å; D464-K532 WeakPolarHBondContact OD2-CE 3.34Å; D464-K532 IonicContact OD2-NZ 3.98Å; D464-K532 PolarHBondContact OD2-NZ 3.5Å
465P91.5Very high78.4Confident115 Ų11588.8 Ų88.875%0.74748%0.477SS*.THydrogen-bonded Turntrans-61.4-10.5-173.5-25.635000115.6S463S463-P465 WeakPolarHBondContact O-CD 3.48Å
466K91.9Very high81.4Confident152 Ų15284.5 Ų84.566%0.66145%0.454SS*.THydrogen-bonded Turntrans-75.4-32.8173.9-179.8-175.9169.2-170.10111.6D464D464-K466 PolarHBondContact O-N 3.45Å; D464-K466 WeakPolarHBondContact OD1-CB 3.42Å; D464-K466 PolarHBondContact OD1-N 3.4Å
467W94.4Very high83.9Confident37 Ų3782.5 Ų82.514%0.1445%0.451CS..THydrogen-bonded Turntrans-114-18.7-173-66.2105.3000113.6D464 F469 K532 L543 G545 A546D464-W467 PolarHBondContact O-N 3.32Å; D464-W467 VanDerWaalsContact OD2-CD1 3.29Å; W467-F469 PolarHBondContact O-N 2.82Å; W467-K532 HydrophobicContact CD2-CG 4.29Å; W467-K532 HydrophobicContact CG-CD 4.34Å; W467-K532 HydrophobicContact CG-CG 4.33Å; W467-K532 HydrophobicContact CZ2-CB 4.37Å; W467-K532 HydrophobicContact CZ2-CG 4.23Å; W467-L543 HydrophobicContact CD2-CD2 3.93Å; W467-L543 HydrophobicContact CE3-CD2 3.66Å; W467-L543 HydrophobicContact CE3-CG 3.85Å; W467-L543 HydrophobicContact CH2-CB 4.17Å; W467-L543 HydrophobicContact CH2-CD2 4.03Å; W467-L543 HydrophobicContact CH2-CG 4.3Å; W467-L543 HydrophobicContact CZ2-CD2 4.3Å; W467-L543 HydrophobicContact CZ3-CB 3.87Å; W467-L543 HydrophobicContact CZ3-CD2 3.72Å; W467-L543 HydrophobicContact CZ3-CG 3.69Å; W467-L543 WeakPolarHBondContact CZ3-O 3.4Å; W467-G545 CarbonylContact O-C 3.53Å; W467-G545 WeakPolarHBondContact O-CA 3.43Å; W467-A546 PolarHBondContact O-N 3.14Å
468E95.3Very high86.2Confident54 Ų5484.9 Ų84.925%0.25245%0.452SS..BIsolated β-bridgetrans-59.9128.5178.9-162.365.5-158.700111.8D464 A546 T548 Q549D464-E468 PolarHBondContact O-N 2.81Å; E468-A546 CarbonylContact C-O 3.6Å; E468-A546 VanDerWaalsContact CA-O 3.3Å; E468-A546 WeakPolarHBondContact CA-O 3.25Å; E468-T548 PolarHBondContact OE1-N 2.85Å; E468-T548 WeakPolarHBondContact OE2-CB 3.46Å; E468-T548 PolarHBondContact OE2-N 2.85Å; E468-T548 PolarHBondContact OE2-OG1 2.94Å; E468-Q549 PolarHBondContact OE1-N 3.19Å; E468-Q549 VanDerWaalsContact OE1-N 3.14Å
469F95.6Very high88.3Confident13 Ų1379.8 Ų79.86%0.05744%0.436CS..  trans-116.6131.3179.5-171.5-98.6000110.5W467 R471 R473 L474 A493 I496 A546 C547 L556W467-F469 PolarHBondContact O-N 2.82Å; F469-R471 PolarHBondContact O-N 3.34Å; F469-R473 HydrophobicContact CE1-CB 4.05Å; F469-R473 HydrophobicContact CZ-CB 3.88Å; F469-L474 HydrophobicContact CD1-CB 4.3Å; F469-L474 HydrophobicContact CE1-CB 3.97Å; F469-A493 HydrophobicContact CE1-CB 4.09Å; F469-A493 HydrophobicContact CZ-CB 3.93Å; F469-I496 HydrophobicContact CD2-CB 4.16Å; F469-I496 HydrophobicContact CD2-CD1 4.25Å; F469-I496 HydrophobicContact CD2-CG1 3.99Å; F469-I496 HydrophobicContact CE2-CB 3.61Å; F469-I496 HydrophobicContact CE2-CD1 4.39Å; F469-I496 HydrophobicContact CE2-CG1 3.98Å; F469-I496 HydrophobicContact CZ-CB 4.19Å; F469-A546 PolarHBondContact N-O 3.16Å; F469-C547 PolarHBondContact O-SG 3.33Å; F469-L556 HydrophobicContact CB-CD2 4.27Å; F469-L556 HydrophobicContact CD1-CD2 3.68Å; F469-L556 HydrophobicContact CE1-CD2 4.25Å; F469-L556 HydrophobicContact CG-CD2 3.97Å
470P94.4Very high89.8Confident61 Ų6179.2 Ų79.240%0.39643%0.432SS..  trans-68.3118.7-177.126.7-34.6000112T472 R473P470-T472 PolarHBondContact O-N 2.82Å; P470-T472 VanDerWaalsContact O-N 3.08Å; P470-R473 HydrophobicContact CB-CG 4.39Å; P470-R473 HydrophobicContact CG-CB 4.17Å; P470-R473 HydrophobicContact CG-CG 3.86Å; P470-R473 PolarHBondContact O-N 3.39Å
471R94.8Very high90.6Very high58 Ų5872.1 Ų72.122%0.21941%0.41CS..G310 helixtrans-50.1-35.9178.4-64.1-179.9-176-79.3-4113.4F469 R473 L474 C547 Q549 D550 G551 P552F469-R471 PolarHBondContact O-N 3.34Å; R471-R473 PolarHBondContact O-N 2.88Å; R471-R473 VanDerWaalsContact O-N 3.13Å; R471-L474 PolarHBondContact O-N 2.78Å; R471-L474 VanDerWaalsContact O-N 3.08Å; R471-C547 HydrophobicContact CG-CB 3.83Å; R471-C547 PolarHBondContact NH2-O 2.69Å; R471-Q549 VanDerWaalsContact CZ-O 3.23Å; R471-Q549 PolarHBondContact NE-O 3.38Å; R471-Q549 PolarHBondContact NH2-O 3.29Å; R471-D550 PolarHBondContact NE-O 3.03Å; R471-G551 PolarHBondContact NH2-O 3.36Å; R471-P552 VanDerWaalsContact CZ-O 3.25Å; R471-P552 PolarHBondContact NH1-O 2.71Å; R471-P552 PolarHBondContact NH2-O 3.4Å
472T94.8Very high90.3Very high138 Ų13877.3 Ų77.385%0.84743%0.433SS*.G310 helixtrans-65.3-11.3178.353.70000114.8P470P470-T472 PolarHBondContact O-N 2.82Å; P470-T472 VanDerWaalsContact O-N 3.08Å
473R95.3Very high89.3Confident87 Ų8773.9 Ų73.933%0.32842%0.418SS..G310 helixtrans-109.89.1175.8-53.4-170.974.8-163.51.2112.9F469 P470 R471 V494 P501F469-R473 HydrophobicContact CE1-CB 4.05Å; F469-R473 HydrophobicContact CZ-CB 3.88Å; P470-R473 HydrophobicContact CB-CG 4.39Å; P470-R473 HydrophobicContact CG-CB 4.17Å; P470-R473 HydrophobicContact CG-CG 3.86Å; P470-R473 PolarHBondContact O-N 3.39Å; R471-R473 PolarHBondContact O-N 2.88Å; R471-R473 VanDerWaalsContact O-N 3.13Å; R473-V494 HydrophobicContact CB-CB 4.44Å; R473-V494 PolarHBondContact NE-O 3.32Å; R473-V494 VanDerWaalsContact NE-O 3.16Å; R473-V494 PolarHBondContact NH1-O 3.42Å; R473-V494 PolarHBondContact NH2-O 2.9Å; R473-V494 PolarHBondContact O-N 2.74Å; R473-P501 PolarHBondContact NH2-O 2.88Å
474L96.8Very high87.9Confident19 Ų1976.1 Ų76.110%0.09943%0.432CS..EExtended strand (participates in β ladder)trans-112.3120.8177.1-173.863.9000109.8F469 R471 L476 A491 A493 V507 V509 Y554 L556F469-L474 HydrophobicContact CD1-CB 4.3Å; F469-L474 HydrophobicContact CE1-CB 3.97Å; R471-L474 PolarHBondContact O-N 2.78Å; R471-L474 VanDerWaalsContact O-N 3.08Å; L474-L476 HydrophobicContact CD2-CD2 3.99Å; L474-L476 HydrophobicContact CG-CD2 4.11Å; L474-A491 HydrophobicContact CD1-CB 3.7Å; L474-A491 HydrophobicContact CG-CB 4.4Å; L474-A493 HydrophobicContact CD1-CB 3.95Å; L474-V507 HydrophobicContact CD1-CG2 4.31Å; L474-V509 HydrophobicContact CD1-CG2 4.26Å; L474-V509 HydrophobicContact CD2-CG2 4.39Å; L474-Y554 HydrophobicContact CD2-CD2 3.84Å; L474-Y554 HydrophobicContact CD2-CE2 4.46Å; L474-L556 HydrophobicContact CD1-CD2 3.83Å; L474-L556 HydrophobicContact CD1-CG 4.47Å; L474-L556 HydrophobicContact CD2-CD1 4.31Å; L474-L556 HydrophobicContact CD2-CD2 4.24Å; L474-L556 HydrophobicContact CD2-CG 4.42Å
475T96.3Very high86.1Confident94 Ų9477.8 Ų77.858%0.57744%0.438SS*.EExtended strand (participates in β ladder)trans-110.9108.8174.6-55.50000108.9A491 E492T475-A491 CarbonylContact O-C 3Å; T475-A491 WeakPolarHBondContact O-CA 3.38Å; T475-A491 VanDerWaalsContact O-CB 3.3Å; T475-A491 WeakPolarHBondContact O-CB 3.26Å; T475-E492 PolarHBondContact N-O 2.8Å; T475-E492 PolarHBondContact O-N 2.67Å
476L95.3Very high85.2Confident71 Ų7172.6 Ų72.637%0.37241%0.405SS..EExtended strand (participates in β ladder)trans-70.4144.7176.2-56.3-178.1000110.9L474 V489 A491 V509 M511 Y554L474-L476 HydrophobicContact CD2-CD2 3.99Å; L474-L476 HydrophobicContact CG-CD2 4.11Å; L476-V489 HydrophobicContact CB-CG2 4.49Å; L476-V489 HydrophobicContact CD2-CG2 3.99Å; L476-A491 HydrophobicContact CD2-CB 3.93Å; L476-V509 HydrophobicContact CD2-CB 4.35Å; L476-V509 HydrophobicContact CD2-CG1 4.4Å; L476-V509 HydrophobicContact CD2-CG2 4.1Å; L476-M511 HydrophobicContact CD1-CE 3.92Å; L476-M511 HydrophobicContact CD2-CE 3.96Å; L476-Y554 HydrophobicContact CD1-CE2 4.15Å
477G92.9Very high84.8Confident46 Ų4668.1 Ų68.147%0.47439%0.387SS..EExtended strand (participates in β ladder)trans-129.7-145.4-178.400000112.2M490G477-M490 CarbonylContact C-O 3.56Å; G477-M490 VanDerWaalsContact CA-O 3.3Å; G477-M490 WeakPolarHBondContact CA-O 3.37Å; G477-M490 PolarHBondContact N-O 2.85Å
478K91.6Very high84.7Confident126 Ų12668.4 Ų68.455%0.54839%0.392SS..EExtended strand (participates in β ladder)trans-65.5146-173.766.5-179.5-179.3179.80113M490K478-M490 HydrophobicContact CD-SD 4.49Å; K478-M490 HydrophobicContact CG-CB 4.14Å; K478-M490 HydrophobicContact CG-SD 4.18Å; K478-M490 PolarHBondContact O-N 3.26Å
479P89.6Confident84.6Confident87 Ų8766.3 Ų66.357%0.56538%0.383SS*.EExtended strand (participates in β ladder)trans-62.2139.4167.627.7-34.1000110.7
480L85.4Confident84.6Confident72 Ų7267.3 Ų67.338%0.37739%0.388SS..EExtended strand (participates in β ladder)trans-102.9-32.4177-68174.4000112V488 M490 A508 Y559L480-V488 HydrophobicContact CB-CG1 4.39Å; L480-V488 HydrophobicContact CD1-CG1 4.35Å; L480-V488 PolarHBondContact N-O 3.47Å; L480-M490 HydrophobicContact CD1-CB 4.03Å; L480-M490 HydrophobicContact CD2-CB 4.12Å; L480-M490 HydrophobicContact CD2-CE 4.3Å; L480-M490 HydrophobicContact CG-CB 4Å; L480-A508 HydrophobicContact CD1-CB 4.16Å; L480-Y559 HydrophobicContact CD1-CD2 3.82Å; L480-Y559 HydrophobicContact CD1-CE2 3.64Å; L480-Y559 HydrophobicContact CD2-CE2 3.85Å; L480-Y559 HydrophobicContact CG-CE2 4.42Å
481G75.9Confident84.7Confident38 Ų3864.5 Ų64.539%0.39237%0.37SS..EExtended strand (participates in β ladder)trans-173.6155178.400000111.4V488G481-V488 PolarHBondContact N-O 3.25Å; G481-V488 PolarHBondContact O-N 2.86Å
482E70.9Confident84.8Confident133 Ų13364.8 Ų64.862%0.62137%0.374SS*.EExtended strand (participates in β ladder)trans-127116.3-179.5-160-169.2138.800109K513E482-K513 HydrophobicContact CG-CD 4.42Å; E482-K513 WeakPolarHBondContact OE1-CE 3.46Å; E482-K513 IonicContact OE1-NZ 3.42Å; E482-K513 PolarHBondContact OE1-NZ 3.21Å
483G61.3Low84.9Confident40 Ų4058.2 Ų58.241%0.41233%0.334SS..  trans-96.5-177.8-176.500000112.9G486 K513G483-G486 PolarHBondContact N-O 3.06Å; G483-K513 WeakPolarHBondContact O-CE 3.49Å; G483-K513 PolarHBondContact O-NZ 2.87Å
484C51.4Low84.9Confident111 Ų11156.1 Ų56.175%0.7533%0.331SS*.SBendtrans-73.7-15.3168.8-68.90000113.3
485F52.8Low84.7Confident81 Ų8155.9 Ų55.936%0.35533%0.333SS..SBendtrans-125.19.4-168.7-49.8-69.2000113.4
486G71.8Confident84.4Confident6 Ų652.6 Ų52.66%0.06231%0.311CS..  trans156.9179.3-17700000113.9G483 M511G483-G486 PolarHBondContact N-O 3.06Å; G486-M511 CarbonylContact C-O 3.54Å; G486-M511 WeakPolarHBondContact CA-O 3.31Å
487Q85.1Confident84.2Confident59 Ų5951.3 Ų51.328%0.27631%0.305SS..EExtended strand (participates in β ladder)trans-112.9145.2175.1-167.8179.943.500110V489 M511 K513Q487-V489 HydrophobicContact CG-CG1 4.15Å; Q487-M511 HydrophobicContact CB-CG 4.36Å; Q487-M511 PolarHBondContact N-O 3.36Å; Q487-M511 PolarHBondContact O-N 3.32Å; Q487-K513 HydrophobicContact CB-CG 4.45Å
488V90.9Very high83.9Confident43 Ų4357.7 Ų57.726%0.26132%0.32SS..EExtended strand (participates in β ladder)trans-117.5124.8170.5-176.10000108.8L480 G481 A508 V509 K510L480-V488 HydrophobicContact CB-CG1 4.39Å; L480-V488 HydrophobicContact CD1-CG1 4.35Å; L480-V488 PolarHBondContact N-O 3.47Å; G481-V488 PolarHBondContact N-O 3.25Å; G481-V488 PolarHBondContact O-N 2.86Å; V488-A508 HydrophobicContact CG1-CB 4.08Å; V488-V509 WeakPolarHBondContact CA-O 3.37Å; V488-K510 HydrophobicContact CG2-CB 4.4Å; V488-K510 HydrophobicContact CG2-CG 4.05Å
489V93.6Very high83.8Confident9 Ų959.6 Ų59.66%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-118.4152.2176.6-50.90000111L476 Q487 A508 V509 M511L476-V489 HydrophobicContact CB-CG2 4.49Å; L476-V489 HydrophobicContact CD2-CG2 3.99Å; Q487-V489 HydrophobicContact CG-CG1 4.15Å; V489-A508 WeakPolarHBondContact O-CA 3.45Å; V489-V509 HydrophobicContact CG2-CB 4.02Å; V489-V509 PolarHBondContact N-O 2.87Å; V489-V509 PolarHBondContact O-N 3.39Å; V489-M511 HydrophobicContact CG1-SD 4.43Å; V489-M511 HydrophobicContact CG2-CE 3.5Å; V489-M511 VanDerWaalsContact CG2-CE 3.5Å; V489-M511 HydrophobicContact CG2-SD 4.41Å
490M95.3Very high83.9Confident35 Ų3560.3 Ų60.317%0.17233%0.325CS..EExtended strand (participates in β ladder)trans-71.6144.2164.7177.1179.7-85.300108.6G477 K478 L480 T506 Y559G477-M490 CarbonylContact C-O 3.56Å; G477-M490 VanDerWaalsContact CA-O 3.3Å; G477-M490 WeakPolarHBondContact CA-O 3.37Å; G477-M490 PolarHBondContact N-O 2.85Å; K478-M490 HydrophobicContact CD-SD 4.49Å; K478-M490 HydrophobicContact CG-CB 4.14Å; K478-M490 HydrophobicContact CG-SD 4.18Å; K478-M490 PolarHBondContact O-N 3.26Å; L480-M490 HydrophobicContact CD1-CB 4.03Å; L480-M490 HydrophobicContact CD2-CB 4.12Å; L480-M490 HydrophobicContact CD2-CE 4.3Å; L480-M490 HydrophobicContact CG-CB 4Å; M490-T506 HydrophobicContact CE-CG2 4.13Å; M490-T506 HydrophobicContact CG-CG2 3.92Å; M490-T506 HydrophobicContact SD-CG2 4.28Å; M490-Y559 HydrophobicContact CE-CD2 4.47Å; M490-Y559 HydrophobicContact CE-CE1 3.8Å; M490-Y559 HydrophobicContact CE-CE2 3.68Å; M490-Y559 WeakPolarHBondContact CE-OH 3.4Å
491A96.6Very high83.9Confident2 Ų260 Ų602%0.01733%0.327CS..EExtended strand (participates in β ladder)trans-146.7158.9171.200000111.6L474 T475 L476 T506 V507 V509L474-A491 HydrophobicContact CD1-CB 3.7Å; L474-A491 HydrophobicContact CG-CB 4.4Å; T475-A491 CarbonylContact O-C 3Å; T475-A491 WeakPolarHBondContact O-CA 3.38Å; T475-A491 VanDerWaalsContact O-CB 3.3Å; T475-A491 WeakPolarHBondContact O-CB 3.26Å; L476-A491 HydrophobicContact CD2-CB 3.93Å; A491-T506 WeakPolarHBondContact O-CA 3.32Å; A491-V507 HydrophobicContact CB-CG2 4.04Å; A491-V507 PolarHBondContact N-O 2.94Å; A491-V507 PolarHBondContact O-N 2.92Å; A491-V509 HydrophobicContact CB-CG2 3.46Å; A491-V509 VanDerWaalsContact CB-CG2 3.46Å
492E97.1Very high84.5Confident63 Ų6365 Ų6529%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-103.1120.2168.7-70.3-59.2144.500109.7T475 P504 L505 T506T475-E492 PolarHBondContact N-O 2.8Å; T475-E492 PolarHBondContact O-N 2.67Å; E492-P504 HydrophobicContact CB-CB 4.47Å; E492-L505 VanDerWaalsContact OE2-C 3.24Å; E492-T506 WeakPolarHBondContact OE1-CA 3.32Å; E492-T506 VanDerWaalsContact OE1-CB 3.28Å; E492-T506 WeakPolarHBondContact OE1-CB 3.46Å; E492-T506 WeakPolarHBondContact OE1-CG2 3.12Å; E492-T506 PolarHBondContact OE1-OG1 2.89Å; E492-T506 PolarHBondContact OE2-N 2.98Å
493A96.8Very high85.4Confident0 Ų065.3 Ų65.30%034%0.344CS..EExtended strand (participates in β ladder)trans-111.8109.5-179.100000110.3F469 L474 G495 I496 L505 V507 L556F469-A493 HydrophobicContact CE1-CB 4.09Å; F469-A493 HydrophobicContact CZ-CB 3.93Å; L474-A493 HydrophobicContact CD1-CB 3.95Å; A493-G495 PolarHBondContact O-N 3.32Å; A493-I496 HydrophobicContact CB-CB 3.98Å; A493-I496 HydrophobicContact CB-CD1 4.06Å; A493-I496 HydrophobicContact CB-CG2 3.81Å; A493-L505 PolarHBondContact N-O 3.04Å; A493-L505 PolarHBondContact O-N 2.84Å; A493-L505 VanDerWaalsContact O-N 3.07Å; A493-V507 HydrophobicContact CB-CG1 4.1Å; A493-V507 HydrophobicContact CB-CG2 3.86Å; A493-L556 HydrophobicContact CB-CD2 4.38Å
494V95.9Very high86.9Confident44 Ų4466.6 Ų66.627%0.26735%0.345SS..EExtended strand (participates in β ladder)trans-82.3120.2-176.7-164.40000110.2R473 I496 P504R473-V494 HydrophobicContact CB-CB 4.44Å; R473-V494 PolarHBondContact NE-O 3.32Å; R473-V494 VanDerWaalsContact NE-O 3.16Å; R473-V494 PolarHBondContact NH1-O 3.42Å; R473-V494 PolarHBondContact NH2-O 2.9Å; R473-V494 PolarHBondContact O-N 2.74Å; V494-I496 VanDerWaalsContact C-N 3.35Å; V494-I496 PolarHBondContact O-N 3.47Å; V494-P504 HydrophobicContact CG2-CB 4.37Å
495G91.3Very high88.9Confident14 Ų1464.8 Ų64.814%0.14433%0.327CS..THydrogen-bonded Turntrans71.124.8176.700000115.6A493 D497 P501 K503A493-G495 PolarHBondContact O-N 3.32Å; G495-D497 VanDerWaalsContact C-N 3.33Å; G495-P501 WeakPolarHBondContact CA-O 3.21Å; G495-K503 PolarHBondContact N-O 3.22Å
496I92Very high91Very high24 Ų2463.4 Ų63.412%0.12333%0.326CS..  trans-69.6-33.7164.7-162.1166.4000111.2F469 A493 V494 K498 L505 V507 L544 L556F469-I496 HydrophobicContact CD2-CB 4.16Å; F469-I496 HydrophobicContact CD2-CD1 4.25Å; F469-I496 HydrophobicContact CD2-CG1 3.99Å; F469-I496 HydrophobicContact CE2-CB 3.61Å; F469-I496 HydrophobicContact CE2-CD1 4.39Å; F469-I496 HydrophobicContact CE2-CG1 3.98Å; F469-I496 HydrophobicContact CZ-CB 4.19Å; A493-I496 HydrophobicContact CB-CB 3.98Å; A493-I496 HydrophobicContact CB-CD1 4.06Å; A493-I496 HydrophobicContact CB-CG2 3.81Å; V494-I496 VanDerWaalsContact C-N 3.35Å; V494-I496 PolarHBondContact O-N 3.47Å; I496-K498 PolarHBondContact O-N 3.41Å; I496-L505 HydrophobicContact CG2-CB 3.84Å; I496-L505 HydrophobicContact CG2-CD2 3.71Å; I496-L505 HydrophobicContact CG2-CG 4.35Å; I496-V507 HydrophobicContact CD1-CG1 4.38Å; I496-V507 HydrophobicContact CG2-CG1 4.4Å; I496-L544 HydrophobicContact CD1-CB 3.5Å; I496-L544 HydrophobicContact CD1-CD1 4.35Å; I496-L544 HydrophobicContact CG1-CB 4.06Å; I496-L556 HydrophobicContact CD1-CB 4.19Å; I496-L556 HydrophobicContact CD1-CD2 3.67Å
497D90.2Very high92.2Very high45 Ų4563.1 Ų63.124%0.24132%0.323CS..SBendtrans-75.5112163.9-178.1-0.7000109.2G495 E499 K500G495-D497 VanDerWaalsContact C-N 3.33Å; D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 WeakPolarHBondContact OD1-CB 3.32Å; D497-E499 PolarHBondContact OD1-N 2.81Å; D497-K500 HydrophobicContact CB-CB 4.34Å; D497-K500 CarbonylContact O-C 3.28Å; D497-K500 VanDerWaalsContact O-C 3.26Å; D497-K500 PolarHBondContact O-N 3.23Å; D497-K500 WeakPolarHBondContact OD2-CG 3.37Å; D497-K500 IonicContact OD2-NZ 3.56Å; D497-K500 PolarHBondContact OD2-NZ 3.44Å
498K86.6Confident92.7Very high180 Ų18060.7 Ų60.778%0.78331%0.313SS*.THydrogen-bonded Turntrans-69.4-20.8179.7-64.5-175.7-179.3179.60112.9I496I496-K498 PolarHBondContact O-N 3.41Å
499E89.9Confident93Very high165 Ų16558.7 Ų58.777%0.77130%0.301SS*.THydrogen-bonded Turntrans-80.1-24.6174.2-57.3-17416900111.8D497 P501D497-E499 PolarHBondContact O-N 3.06Å; D497-E499 WeakPolarHBondContact OD1-CB 3.32Å; D497-E499 PolarHBondContact OD1-N 2.81Å; E499-P501 VanDerWaalsContact C-CD 3.47Å
500K90.3Very high92.9Very high103 Ų10359.7 Ų59.745%0.44830%0.304SS..SBendtrans-128.960.7-176.2-59.6-179.5-165.198.10111.3D497 N502 K503D497-K500 HydrophobicContact CB-CB 4.34Å; D497-K500 CarbonylContact O-C 3.28Å; D497-K500 VanDerWaalsContact O-C 3.26Å; D497-K500 PolarHBondContact O-N 3.23Å; D497-K500 WeakPolarHBondContact OD2-CG 3.37Å; D497-K500 IonicContact OD2-NZ 3.56Å; D497-K500 PolarHBondContact OD2-NZ 3.44Å; K500-N502 PolarHBondContact O-N 3.03Å; K500-K503 HydrophobicContact CB-CB 4.1Å; K500-K503 PolarHBondContact O-N 2.95Å
501P86.6Confident92.7Very high64 Ų6458.8 Ų58.842%0.41630%0.3SS..THydrogen-bonded Turntrans-62.1-17.3-166.524.8-36.3000115.6R473 G495 E499R473-P501 PolarHBondContact NH2-O 2.88Å; G495-P501 WeakPolarHBondContact CA-O 3.21Å; E499-P501 VanDerWaalsContact C-CD 3.47Å
502N87.8Confident92.3Very high143 Ų14360.9 Ų60.977%0.76531%0.311SS*.THydrogen-bonded Turntrans-105.5-6.1-179.7-64.9-15.6000113.6K500K500-N502 PolarHBondContact O-N 3.03Å
503K90.4Very high91.7Very high140 Ų14060.3 Ų60.361%0.60931%0.307SS*.SBendtrans-88.9133177.5-161.9-177.6175.2-1780109G495 K500G495-K503 PolarHBondContact N-O 3.22Å; K500-K503 HydrophobicContact CB-CB 4.1Å; K500-K503 PolarHBondContact O-N 2.95Å
504P92Very high91.1Very high67 Ų6769.1 Ų69.144%0.43535%0.354SS..EExtended strand (participates in β ladder)trans-67.2140.2165.430.6-34.7000109.5E492 V494E492-P504 HydrophobicContact CB-CB 4.47Å; V494-P504 HydrophobicContact CG2-CB 4.37Å
505L95.1Very high90.4Very high73 Ų7373.1 Ų73.138%0.38237%0.374SS..EExtended strand (participates in β ladder)trans-117.5127.2170.9-177.968000108.7E492 A493 I496 V507 L544E492-L505 VanDerWaalsContact OE2-C 3.24Å; A493-L505 PolarHBondContact N-O 3.04Å; A493-L505 PolarHBondContact O-N 2.84Å; A493-L505 VanDerWaalsContact O-N 3.07Å; I496-L505 HydrophobicContact CG2-CB 3.84Å; I496-L505 HydrophobicContact CG2-CD2 3.71Å; I496-L505 HydrophobicContact CG2-CG 4.35Å; L505-V507 HydrophobicContact CD2-CG1 4.22Å; L505-V507 HydrophobicContact CG-CG1 4.21Å; L505-V507 PolarHBondContact O-N 3.14Å; L505-L544 HydrophobicContact CD2-CD1 4.33Å
506T96.4Very high89.9Confident52 Ų5273.5 Ų73.532%0.31938%0.376SS..EExtended strand (participates in β ladder)trans-67121.5170.4-44.50000109.6M490 A491 E492 Y559M490-T506 HydrophobicContact CE-CG2 4.13Å; M490-T506 HydrophobicContact CG-CG2 3.92Å; M490-T506 HydrophobicContact SD-CG2 4.28Å; A491-T506 WeakPolarHBondContact O-CA 3.32Å; E492-T506 WeakPolarHBondContact OE1-CA 3.32Å; E492-T506 VanDerWaalsContact OE1-CB 3.28Å; E492-T506 WeakPolarHBondContact OE1-CB 3.46Å; E492-T506 WeakPolarHBondContact OE1-CG2 3.12Å; E492-T506 PolarHBondContact OE1-OG1 2.89Å; E492-T506 PolarHBondContact OE2-N 2.98Å; T506-Y559 HydrophobicContact CG2-CD1 3.78Å; T506-Y559 HydrophobicContact CG2-CE1 4.24Å; T506-Y559 HydrophobicContact CG2-CG 4.05Å; T506-Y559 WeakPolarHBondContact O-CB 3.23Å
507V96.6Very high89.5Confident0 Ų075.9 Ų75.90%039%0.392CS..EExtended strand (participates in β ladder)trans-127.1163-179.8-60.20000110.4L474 A491 A493 I496 L505 V509 L544L474-V507 HydrophobicContact CD1-CG2 4.31Å; A491-V507 HydrophobicContact CB-CG2 4.04Å; A491-V507 PolarHBondContact N-O 2.94Å; A491-V507 PolarHBondContact O-N 2.92Å; A493-V507 HydrophobicContact CB-CG1 4.1Å; A493-V507 HydrophobicContact CB-CG2 3.86Å; I496-V507 HydrophobicContact CD1-CG1 4.38Å; I496-V507 HydrophobicContact CG2-CG1 4.4Å; L505-V507 HydrophobicContact CD2-CG1 4.22Å; L505-V507 HydrophobicContact CG-CG1 4.21Å; L505-V507 PolarHBondContact O-N 3.14Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V507-L544 HydrophobicContact CB-CD1 4.31Å; V507-L544 HydrophobicContact CG1-CD1 3.5Å
508A96.1Very high89Confident9 Ų977.8 Ų77.87%0.07440%0.402CS..EExtended strand (participates in β ladder)trans-100.5139.7165.500000109.3L480 V488 V489 V557L480-A508 HydrophobicContact CD1-CB 4.16Å; V488-A508 HydrophobicContact CG1-CB 4.08Å; V489-A508 WeakPolarHBondContact O-CA 3.45Å; A508-V557 HydrophobicContact CB-CG2 3.89Å; A508-V557 PolarHBondContact N-O 2.67Å; A508-V557 PolarHBondContact O-N 2.82Å
509V95.8Very high88.6Confident0 Ų071.3 Ų71.30%037%0.374CS..EExtended strand (participates in β ladder)trans-120116.3179.5-171.20000108.7L474 L476 V488 V489 A491 V507 M511 Y554 V555 L556L474-V509 HydrophobicContact CD1-CG2 4.26Å; L474-V509 HydrophobicContact CD2-CG2 4.39Å; L476-V509 HydrophobicContact CD2-CB 4.35Å; L476-V509 HydrophobicContact CD2-CG1 4.4Å; L476-V509 HydrophobicContact CD2-CG2 4.1Å; V488-V509 WeakPolarHBondContact CA-O 3.37Å; V489-V509 HydrophobicContact CG2-CB 4.02Å; V489-V509 PolarHBondContact N-O 2.87Å; V489-V509 PolarHBondContact O-N 3.39Å; A491-V509 HydrophobicContact CB-CG2 3.46Å; A491-V509 VanDerWaalsContact CB-CG2 3.46Å; V507-V509 HydrophobicContact CG2-CG2 4.17Å; V509-M511 HydrophobicContact CB-CE 3.95Å; V509-M511 HydrophobicContact CG1-CE 3.53Å; V509-Y554 HydrophobicContact CG1-CD1 4.28Å; V509-Y554 HydrophobicContact CG1-CG 3.97Å; V509-V555 WeakPolarHBondContact CA-O 3.26Å; V509-L556 HydrophobicContact CG2-CG 4.27Å
510K92.7Very high88.2Confident31 Ų3164.6 Ų64.614%0.13534%0.343CS..EExtended strand (participates in β ladder)trans-89130171.8-160.9173.4-161.3-179.80108.5V488 L524 E527 V555 D637V488-K510 HydrophobicContact CG2-CB 4.4Å; V488-K510 HydrophobicContact CG2-CG 4.05Å; K510-L524 HydrophobicContact CB-CD1 4.16Å; K510-L524 HydrophobicContact CD-CD1 3.8Å; K510-L524 HydrophobicContact CG-CD1 3.76Å; K510-E527 WeakPolarHBondContact CE-OE2 3.15Å; K510-E527 IonicContact NZ-OE1 2.7Å; K510-E527 PolarHBondContact NZ-OE1 3.42Å; K510-E527 IonicContact NZ-OE2 2.68Å; K510-E527 PolarHBondContact NZ-OE2 3.14Å; K510-V555 HydrophobicContact CB-CB 4.38Å; K510-V555 PolarHBondContact N-O 3.26Å; K510-V555 PolarHBondContact O-N 3.26Å; K510-D637 IonicContact NZ-OD1 3.77Å; K510-D637 PolarHBondContact NZ-OD1 2.63Å
511M90.1Very high87.9Confident16 Ų1660.7 Ų60.78%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-146.9165.3-17763.5-172.162.400111L476 G486 Q487 V489 V509 Y554L476-M511 HydrophobicContact CD1-CE 3.92Å; L476-M511 HydrophobicContact CD2-CE 3.96Å; G486-M511 CarbonylContact C-O 3.54Å; G486-M511 WeakPolarHBondContact CA-O 3.31Å; Q487-M511 HydrophobicContact CB-CG 4.36Å; Q487-M511 PolarHBondContact N-O 3.36Å; Q487-M511 PolarHBondContact O-N 3.32Å; V489-M511 HydrophobicContact CG1-SD 4.43Å; V489-M511 HydrophobicContact CG2-CE 3.5Å; V489-M511 VanDerWaalsContact CG2-CE 3.5Å; V489-M511 HydrophobicContact CG2-SD 4.41Å; V509-M511 HydrophobicContact CB-CE 3.95Å; V509-M511 HydrophobicContact CG1-CE 3.53Å; M511-Y554 HydrophobicContact CB-CD1 3.75Å; M511-Y554 HydrophobicContact CB-CE1 4.02Å; M511-Y554 HydrophobicContact CE-CD1 3.73Å; M511-Y554 HydrophobicContact CE-CE1 3.64Å; M511-Y554 HydrophobicContact CE-CG 4.44Å; M511-Y554 HydrophobicContact SD-CD1 4.36Å; M511-Y554 HydrophobicContact SD-CE1 3.88Å
512L88.6Confident87.7Confident46 Ų4660.9 Ų60.924%0.24133%0.33CS..  trans-73.8159.2173.7-60.8-179.6000111.3A516 D520 L521 L524L512-A516 HydrophobicContact CB-CB 3.77Å; L512-A516 HydrophobicContact CD1-CB 4.35Å; L512-A516 HydrophobicContact CD2-CB 4.19Å; L512-A516 HydrophobicContact CG-CB 4.32Å; L512-D520 HydrophobicContact CD2-CB 4.03Å; L512-L521 HydrophobicContact CD1-CB 3.79Å; L512-L521 HydrophobicContact CD1-CD1 3.86Å; L512-L521 HydrophobicContact CD1-CG 4.36Å; L512-L524 HydrophobicContact CD2-CB 4.3Å; L512-L524 HydrophobicContact CD2-CD2 3.83Å; L512-L524 HydrophobicContact CG-CD2 4.02Å
513K85.3Confident87.3Confident50 Ų5055.1 Ų55.122%0.21730%0.299CS..  trans-88.5167.3169.4-56.7-172.5-168.8-173.20110.8E482 G483 Q487 D515 A516E482-K513 HydrophobicContact CG-CD 4.42Å; E482-K513 WeakPolarHBondContact OE1-CE 3.46Å; E482-K513 IonicContact OE1-NZ 3.42Å; E482-K513 PolarHBondContact OE1-NZ 3.21Å; G483-K513 WeakPolarHBondContact O-CE 3.49Å; G483-K513 PolarHBondContact O-NZ 2.87Å; Q487-K513 HydrophobicContact CB-CG 4.45Å; K513-D515 WeakPolarHBondContact CB-OD1 3.2Å; K513-D515 WeakPolarHBondContact CD-OD1 3.21Å; K513-D515 PolarHBondContact O-N 3.43Å; K513-A516 WeakPolarHBondContact O-CB 3.08Å; K513-A516 PolarHBondContact O-N 2.89Å
514D82.9Confident87.1Confident185 Ų18548.7 Ų48.799%0.98927%0.272SS*.THydrogen-bonded Turntrans-61.1-26173.4-57.5-27.4000113.3
515D81.9Confident86.9Confident128 Ų12846.8 Ų46.868%0.68426%0.258SS*.THydrogen-bonded Turntrans-101.513.4178.770.5-29.7000114.1K513K513-D515 WeakPolarHBondContact CB-OD1 3.2Å; K513-D515 WeakPolarHBondContact CD-OD1 3.21Å; K513-D515 PolarHBondContact O-N 3.43Å
516A80.6Confident86.3Confident22 Ų2244.8 Ų44.818%0.18225%0.25CS..  trans-66.6145.7-175.700000113.7L512 K513 D520L512-A516 HydrophobicContact CB-CB 3.77Å; L512-A516 HydrophobicContact CD1-CB 4.35Å; L512-A516 HydrophobicContact CD2-CB 4.19Å; L512-A516 HydrophobicContact CG-CB 4.32Å; K513-A516 WeakPolarHBondContact O-CB 3.08Å; K513-A516 PolarHBondContact O-N 2.89Å; A516-D520 HydrophobicContact CB-CB 4.28Å
517T82.8Confident85.8Confident74 Ų7443 Ų4345%0.45424%0.238SC..  trans-93.1161.8177.371.40000112.2K519 D520 L521T517-K519 PolarHBondContact O-N 2.87Å; T517-K519 PolarHBondContact OG1-N 2.98Å; T517-D520 WeakPolarHBondContact CB-OD2 3.28Å; T517-D520 PolarHBondContact N-OD2 2.91Å; T517-D520 PolarHBondContact O-N 3.32Å; T517-D520 PolarHBondContact OG1-N 3.06Å; T517-D520 PolarHBondContact OG1-OD2 3.3Å; T517-L521 PolarHBondContact O-N 3.4Å
518D80.1Confident85.5Confident85 Ų8543.1 Ų43.146%0.45524%0.239SC..Hα-helixtrans-52.2-26.7169.7-72.6-20.7000112.3S457 S522S457-D518 PolarHBondContact N-OD1 3.43Å; S457-D518 PolarHBondContact OG-OD2 2.81Å; D518-S522 PolarHBondContact O-N 2.96Å; D518-S522 VanDerWaalsContact O-N 3.12Å
519K78.6Confident85.1Confident45 Ų4546.6 Ų46.620%0.19625%0.254CS..Hα-helixtrans-72.8-42.2174.1-176.7174.1-177.7161.30112.3T517 L521 S522 D523 T654T517-K519 PolarHBondContact O-N 2.87Å; T517-K519 PolarHBondContact OG1-N 2.98Å; K519-L521 VanDerWaalsContact C-N 3.25Å; K519-L521 PolarHBondContact O-N 2.75Å; K519-S522 CarbonylContact O-C 3.56Å; K519-S522 WeakPolarHBondContact O-CA 3.32Å; K519-S522 WeakPolarHBondContact O-CB 3.44Å; K519-S522 PolarHBondContact O-N 3.33Å; K519-D523 WeakPolarHBondContact CE-OD2 3.38Å; K519-D523 WeakPolarHBondContact O-CB 3.36Å; K519-D523 PolarHBondContact O-N 3.38Å; K519-T654 HydrophobicContact CD-CG2 3.49Å; K519-T654 VanDerWaalsContact CD-CG2 3.49Å; K519-T654 PolarHBondContact NZ-OG1 2.92Å
520D81.4Confident84.5Confident23 Ų2348 Ų4812%0.12326%0.261CS..Hα-helixtrans-64.4-36.3179.7-55.7-62.5000110.3L512 A516 T517 D523 L524L512-D520 HydrophobicContact CD2-CB 4.03Å; A516-D520 HydrophobicContact CB-CB 4.28Å; T517-D520 WeakPolarHBondContact CB-OD2 3.28Å; T517-D520 PolarHBondContact N-OD2 2.91Å; T517-D520 PolarHBondContact O-N 3.32Å; T517-D520 PolarHBondContact OG1-N 3.06Å; T517-D520 PolarHBondContact OG1-OD2 3.3Å; D520-D523 PolarHBondContact O-N 3.44Å; D520-L524 WeakPolarHBondContact O-CB 3.32Å; D520-L524 PolarHBondContact O-N 2.92Å
521L84.5Confident84.4Confident21 Ų2146.9 Ų46.911%0.1126%0.256CS..Hα-helixtrans-58.1-51.3167.3177.659.3000111.5L459 L512 T517 K519 D523 L524 V525 L553L459-L521 HydrophobicContact CB-CD2 4.17Å; L459-L521 HydrophobicContact CD2-CD2 4.47Å; L512-L521 HydrophobicContact CD1-CB 3.79Å; L512-L521 HydrophobicContact CD1-CD1 3.86Å; L512-L521 HydrophobicContact CD1-CG 4.36Å; T517-L521 PolarHBondContact O-N 3.4Å; K519-L521 VanDerWaalsContact C-N 3.25Å; K519-L521 PolarHBondContact O-N 2.75Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.02Å; L521-L524 PolarHBondContact O-N 2.82Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 WeakPolarHBondContact O-CB 3.4Å; L521-V525 WeakPolarHBondContact O-CG2 3.39Å; L521-V525 PolarHBondContact O-N 2.72Å; L521-L553 HydrophobicContact CD1-CD2 4.11Å
522S82.1Confident84.4Confident69 Ų6947.6 Ų47.648%0.48326%0.259SS..Hα-helixtrans-61.6-39178.8-176.30000113.2D518 K519 S526D518-S522 PolarHBondContact O-N 2.96Å; D518-S522 VanDerWaalsContact O-N 3.12Å; K519-S522 CarbonylContact O-C 3.56Å; K519-S522 WeakPolarHBondContact O-CA 3.32Å; K519-S522 WeakPolarHBondContact O-CB 3.44Å; K519-S522 PolarHBondContact O-N 3.33Å; S522-S526 WeakPolarHBondContact O-CB 3.43Å; S522-S526 PolarHBondContact O-N 3.46Å
523D80.1Confident84.3Confident22 Ų2252.2 Ų52.212%0.11828%0.281CS..Hα-helixtrans-70-43.1-179.8-76.1-20.4000109.5K519 D520 L521 S526 E527K519-D523 WeakPolarHBondContact CE-OD2 3.38Å; K519-D523 WeakPolarHBondContact O-CB 3.36Å; K519-D523 PolarHBondContact O-N 3.38Å; D520-D523 PolarHBondContact O-N 3.44Å; L521-D523 VanDerWaalsContact C-N 3.34Å; L521-D523 PolarHBondContact O-N 3.02Å; D523-S526 PolarHBondContact O-N 2.83Å; D523-S526 PolarHBondContact O-OG 3.2Å; D523-E527 PolarHBondContact O-N 2.87Å
524L85.9Confident84.5Confident5 Ų550.1 Ų50.13%0.02627%0.272CS..Hα-helixtrans-63.5-40.4174.5-178.460.4000113.3K510 L512 D520 L521 E527 M528 L553 V555K510-L524 HydrophobicContact CB-CD1 4.16Å; K510-L524 HydrophobicContact CD-CD1 3.8Å; K510-L524 HydrophobicContact CG-CD1 3.76Å; L512-L524 HydrophobicContact CD2-CB 4.3Å; L512-L524 HydrophobicContact CD2-CD2 3.83Å; L512-L524 HydrophobicContact CG-CD2 4.02Å; D520-L524 WeakPolarHBondContact O-CB 3.32Å; D520-L524 PolarHBondContact O-N 2.92Å; L521-L524 PolarHBondContact O-N 2.82Å; L524-E527 PolarHBondContact O-N 2.96Å; L524-M528 PolarHBondContact O-N 2.78Å; L524-L553 HydrophobicContact CB-CD2 4.49Å; L524-L553 HydrophobicContact CD2-CD2 3.91Å; L524-L553 HydrophobicContact CD2-CG 4.18Å; L524-L553 HydrophobicContact CG-CD2 3.9Å; L524-V555 HydrophobicContact CD1-CB 4.45Å; L524-V555 HydrophobicContact CD1-CG2 3.79Å; L524-V555 HydrophobicContact CG-CG2 4.08Å
525V87.3Confident84.8Confident26 Ų2642.8 Ų42.816%0.15824%0.24CC..Hα-helixtrans-63.8-42.8173.2171.40000110.6L461 L521 E527 M528 E529 L553L461-V525 HydrophobicContact CD1-CG2 3.93Å; L461-V525 HydrophobicContact CD2-CG1 3.93Å; L461-V525 HydrophobicContact CD2-CG2 3.71Å; L461-V525 HydrophobicContact CG-CG2 4.46Å; L521-V525 HydrophobicContact CD1-CG2 4.06Å; L521-V525 WeakPolarHBondContact O-CB 3.4Å; L521-V525 WeakPolarHBondContact O-CG2 3.39Å; L521-V525 PolarHBondContact O-N 2.72Å; V525-E527 VanDerWaalsContact C-N 3.29Å; V525-E527 PolarHBondContact O-N 3.45Å; V525-M528 PolarHBondContact O-N 3.2Å; V525-E529 PolarHBondContact O-N 2.86Å; V525-L553 HydrophobicContact CG2-CD2 3.54Å
526S82.9Confident85.4Confident31 Ų3143.4 Ų43.422%0.21724%0.237CC..Hα-helixtrans-64-35.8178.381.50000112.5S522 D523 M530S522-S526 WeakPolarHBondContact O-CB 3.43Å; S522-S526 PolarHBondContact O-N 3.46Å; D523-S526 PolarHBondContact O-N 2.83Å; D523-S526 PolarHBondContact O-OG 3.2Å; S526-M530 WeakPolarHBondContact O-CB 3.35Å; S526-M530 PolarHBondContact O-N 2.87Å
527E85.7Confident86.2Confident14 Ų1444 Ų447%0.06524%0.235CC..Hα-helixtrans-66.7-46.3175.1-171.9176179.300111.7K510 D523 L524 V525 E529 M530 M531 F638K510-E527 WeakPolarHBondContact CE-OE2 3.15Å; K510-E527 IonicContact NZ-OE1 2.7Å; K510-E527 PolarHBondContact NZ-OE1 3.42Å; K510-E527 IonicContact NZ-OE2 2.68Å; K510-E527 PolarHBondContact NZ-OE2 3.14Å; D523-E527 PolarHBondContact O-N 2.87Å; L524-E527 PolarHBondContact O-N 2.96Å; V525-E527 VanDerWaalsContact C-N 3.29Å; V525-E527 PolarHBondContact O-N 3.45Å; E527-E529 PolarHBondContact O-N 2.62Å; E527-M530 WeakPolarHBondContact O-CB 3.4Å; E527-M530 PolarHBondContact O-N 2.83Å; E527-M531 HydrophobicContact CG-SD 4.45Å; E527-M531 VanDerWaalsContact O-CG 3.32Å; E527-M531 WeakPolarHBondContact O-CG 3.44Å; E527-M531 PolarHBondContact O-N 3.5Å; E527-F638 HydrophobicContact CG-CB 3.95Å; E527-F638 PolarHBondContact OE1-N 3.12Å
528M89.1Confident86.8Confident4 Ų446.6 Ų46.62%0.0224%0.24CC..Hα-helixtrans-56.4-51.2175.5179-177.363.900111.5L524 V525 M530 M531 K532 A546 T548 L553 V555L524-M528 PolarHBondContact O-N 2.78Å; V525-M528 PolarHBondContact O-N 3.2Å; M528-M530 VanDerWaalsContact C-N 3.32Å; M528-M530 PolarHBondContact O-N 3.37Å; M528-M531 PolarHBondContact O-N 2.83Å; M528-K532 WeakPolarHBondContact O-CG 3.38Å; M528-K532 PolarHBondContact O-N 2.98Å; M528-A546 HydrophobicContact SD-CB 3.5Å; M528-A546 VanDerWaalsContact SD-CB 3.5Å; M528-T548 HydrophobicContact CE-CG2 4.18Å; M528-T548 HydrophobicContact SD-CG2 4.04Å; M528-L553 HydrophobicContact CE-CD1 4.47Å; M528-L553 HydrophobicContact SD-CD1 4.21Å; M528-V555 HydrophobicContact CB-CG1 4.29Å; M528-V555 HydrophobicContact CB-CG2 4.01Å; M528-V555 HydrophobicContact CG-CG1 4.38Å; M528-V555 HydrophobicContact CG-CG2 4.35Å; M528-V555 HydrophobicContact SD-CG2 4.35Å
529E87.8Confident87.7Confident81 Ų8142.6 Ų42.638%0.37922%0.219SC..Hα-helixtrans-64.2-36.2179.2-68.8-55.9131.100112.1V525 E527 M531 K532 M533V525-E529 PolarHBondContact O-N 2.86Å; E527-E529 PolarHBondContact O-N 2.62Å; E529-M531 PolarHBondContact O-N 2.87Å; E529-K532 WeakPolarHBondContact O-CB 3.37Å; E529-K532 PolarHBondContact O-N 2.92Å; E529-K532 VanDerWaalsContact OE1-CE 3.25Å; E529-K532 WeakPolarHBondContact OE1-CE 3.43Å; E529-K532 IonicContact OE1-NZ 3.56Å; E529-K532 PolarHBondContact OE1-NZ 3.49Å; E529-K532 IonicContact OE2-NZ 3.3Å; E529-M533 WeakPolarHBondContact O-CG 3.09Å; E529-M533 PolarHBondContact O-N 3.29Å; E529-M533 VanDerWaalsContact O-N 3.15Å
530M84.9Confident88.6Confident29 Ų2940.6 Ų40.614%0.14321%0.211CC..Hα-helixtrans-60.9-45.5173.2-170.3131.5-64.600112.1S526 E527 M528 K532 M533 I534 F638 A641S526-M530 WeakPolarHBondContact O-CB 3.35Å; S526-M530 PolarHBondContact O-N 2.87Å; E527-M530 WeakPolarHBondContact O-CB 3.4Å; E527-M530 PolarHBondContact O-N 2.83Å; M528-M530 VanDerWaalsContact C-N 3.32Å; M528-M530 PolarHBondContact O-N 3.37Å; M530-K532 VanDerWaalsContact C-N 3.3Å; M530-K532 PolarHBondContact O-N 2.91Å; M530-M533 PolarHBondContact O-N 2.78Å; M530-M533 VanDerWaalsContact O-N 3.11Å; M530-I534 HydrophobicContact CG-CD1 3.65Å; M530-I534 HydrophobicContact CG-CG1 4.27Å; M530-I534 WeakPolarHBondContact O-CG1 3.49Å; M530-I534 PolarHBondContact O-N 2.86Å; M530-F638 HydrophobicContact CG-CB 4.46Å; M530-A641 HydrophobicContact SD-CB 3.46Å; M530-A641 WeakPolarHBondContact SD-CB 3.2Å
531M89.4Confident89.3Confident8 Ų839.8 Ų39.84%0.03921%0.206CC..Hα-helixtrans-66.4-31.2178.5-64.4179.477.600112.5E527 M528 E529 M533 I541 L543 V557 F638E527-M531 HydrophobicContact CG-SD 4.45Å; E527-M531 VanDerWaalsContact O-CG 3.32Å; E527-M531 WeakPolarHBondContact O-CG 3.44Å; E527-M531 PolarHBondContact O-N 3.5Å; M528-M531 PolarHBondContact O-N 2.83Å; E529-M531 PolarHBondContact O-N 2.87Å; M531-M533 VanDerWaalsContact C-N 3.32Å; M531-I541 HydrophobicContact CE-CG2 3.85Å; M531-I541 WeakPolarHBondContact CE-O 3.47Å; M531-L543 HydrophobicContact CB-CB 3.98Å; M531-L543 HydrophobicContact CB-CD2 4.37Å; M531-L543 HydrophobicContact CE-CB 4.23Å; M531-V557 HydrophobicContact CE-CB 4.44Å; M531-V557 HydrophobicContact CE-CG1 3.69Å; M531-V557 HydrophobicContact SD-CG1 4.11Å; M531-F638 HydrophobicContact CG-CD2 3.84Å; M531-F638 HydrophobicContact CG-CG 4.45Å; M531-F638 HydrophobicContact SD-CD2 4.33Å
532K90.5Very high89.8Confident31 Ų3139.3 Ų39.314%0.13520%0.204CC..Hα-helixtrans-62.9-38.8170.6-66.9-178-175.6176.50112.2D464 W467 M528 E529 M530 L543D464-K532 WeakPolarHBondContact OD2-CE 3.34Å; D464-K532 IonicContact OD2-NZ 3.98Å; D464-K532 PolarHBondContact OD2-NZ 3.5Å; W467-K532 HydrophobicContact CD2-CG 4.29Å; W467-K532 HydrophobicContact CG-CD 4.34Å; W467-K532 HydrophobicContact CG-CG 4.33Å; W467-K532 HydrophobicContact CZ2-CB 4.37Å; W467-K532 HydrophobicContact CZ2-CG 4.23Å; M528-K532 WeakPolarHBondContact O-CG 3.38Å; M528-K532 PolarHBondContact O-N 2.98Å; E529-K532 WeakPolarHBondContact O-CB 3.37Å; E529-K532 PolarHBondContact O-N 2.92Å; E529-K532 VanDerWaalsContact OE1-CE 3.25Å; E529-K532 WeakPolarHBondContact OE1-CE 3.43Å; E529-K532 IonicContact OE1-NZ 3.56Å; E529-K532 PolarHBondContact OE1-NZ 3.49Å; E529-K532 IonicContact OE2-NZ 3.3Å; M530-K532 VanDerWaalsContact C-N 3.3Å; M530-K532 PolarHBondContact O-N 2.91Å; K532-L543 HydrophobicContact CG-CD2 3.62Å
533M87.1Confident90.4Very high144 Ų14436.2 Ų36.271%0.70918%0.182SC*.Hα-helixtrans-77.9-38.5-177.6-70.7-63.9-66.700113.4E529 M530 M531 G535E529-M533 WeakPolarHBondContact O-CG 3.09Å; E529-M533 PolarHBondContact O-N 3.29Å; E529-M533 VanDerWaalsContact O-N 3.15Å; M530-M533 PolarHBondContact O-N 2.78Å; M530-M533 VanDerWaalsContact O-N 3.11Å; M531-M533 VanDerWaalsContact C-N 3.32Å; M533-G535 VanDerWaalsContact C-N 3.27Å; M533-G535 PolarHBondContact O-N 3.1Å
534I89.4Confident91.1Very high5 Ų537.1 Ų37.13%0.02619%0.186CC..Hα-helixtrans-61.3-34.6179-71.6161000111.8M530 I540 Y609 L610 C615 F638M530-I534 HydrophobicContact CG-CD1 3.65Å; M530-I534 HydrophobicContact CG-CG1 4.27Å; M530-I534 WeakPolarHBondContact O-CG1 3.49Å; M530-I534 PolarHBondContact O-N 2.86Å; I534-I540 HydrophobicContact CG2-CD1 4.03Å; I534-Y609 HydrophobicContact CG2-CD1 4.46Å; I534-Y609 HydrophobicContact CG2-CE1 4Å; I534-Y609 VanDerWaalsContact O-CE1 3.27Å; I534-Y609 WeakPolarHBondContact O-CE1 3.26Å; I534-Y609 PolarHBondContact O-OH 3.29Å; I534-Y609 VanDerWaalsContact O-OH 3.13Å; I534-L610 HydrophobicContact CD1-CD2 3.74Å; I534-L610 HydrophobicContact CG1-CD2 3.91Å; I534-L610 HydrophobicContact CG2-CD2 3.74Å; I534-C615 HydrophobicContact CG1-CB 4.29Å; I534-F638 HydrophobicContact CD1-CD1 3.71Å; I534-F638 HydrophobicContact CD1-CE1 3.69Å; I534-F638 HydrophobicContact CD1-CG 4.16Å; I534-F638 HydrophobicContact CD1-CZ 4.12Å
535G89.4Confident91.6Very high31 Ų3136.9 Ų36.932%0.3219%0.186SC..  trans82.1-155.4-175.500000112.9M533M533-G535 VanDerWaalsContact C-N 3.27Å; M533-G535 PolarHBondContact O-N 3.1Å
536K93.6Very high92Very high141 Ų14135.7 Ų35.761%0.61318%0.178SC*.  trans-113.2130.9-172.9-69-166.2176-166.10112.6N542 Y609K536-N542 VanDerWaalsContact CA-OD1 3.26Å; K536-N542 WeakPolarHBondContact CA-OD1 3.41Å; K536-N542 HydrophobicContact CG-CB 4.47Å; K536-Y609 PolarHBondContact O-OH 2.96Å
537H97.3Very high92.6Very high34 Ų3434.2 Ų34.216%0.15717%0.168CC..  trans-141155.7173-172.2-114.5000111.7N539 I540 N542 R605 Y609H537-N539 VanDerWaalsContact C-N 3.34Å; H537-N539 PolarHBondContact ND1-N 3.08Å; H537-N539 PolarHBondContact O-N 2.86Å; H537-I540 HydrophobicContact CB-CB 4.19Å; H537-I540 HydrophobicContact CB-CD1 3.87Å; H537-I540 HydrophobicContact CB-CG1 4.1Å; H537-N542 PolarHBondContact N-OD1 2.79Å; H537-N542 PolarHBondContact O-ND2 3.33Å; H537-N542 PolarHBondContact O-OD1 3Å; H537-R605 PolarHBondContact CE1-O 2.63Å; H537-Y609 HydrophobicContact CB-CD1 3.68Å; H537-Y609 HydrophobicContact CB-CD2 4.31Å; H537-Y609 HydrophobicContact CB-CE1 3.83Å; H537-Y609 HydrophobicContact CB-CE2 4.46Å; H537-Y609 HydrophobicContact CB-CG 3.9Å; H537-Y609 AromaticContact CD2-CD2 3.88Å; H537-Y609 AromaticContact CD2-CG 3.9Å; H537-Y609 AromaticContact CG-CG 3.78Å
538K96.7Very high93Very high129 Ų12934.4 Ų34.456%0.56117%0.17SC*.THydrogen-bonded Turntrans-61.9-44.9179.3-175.2175.8-179.6-178.20110.9I540 V632 K634K538-I540 PolarHBondContact O-N 3.19Å; K538-V632 HydrophobicContact CG-CG1 3.98Å; K538-K634 PolarHBondContact O-NZ 2.86Å
539N98.3Very high93Very high2 Ų237 Ų371%0.01118%0.182CC..THydrogen-bonded Turntrans-96.824.7-172.8-58.7103.4000114.7H537 Q602 M633 I635H537-N539 VanDerWaalsContact C-N 3.34Å; H537-N539 PolarHBondContact ND1-N 3.08Å; H537-N539 PolarHBondContact O-N 2.86Å; N539-Q602 WeakPolarHBondContact CB-O 3.43Å; N539-Q602 WeakPolarHBondContact ND2-CB 3.41Å; N539-Q602 PolarHBondContact ND2-OE1 3.4Å; N539-M633 WeakPolarHBondContact CA-O 3.42Å; N539-M633 WeakPolarHBondContact CB-O 3.28Å; N539-M633 PolarHBondContact ND2-O 3.01Å; N539-I635 PolarHBondContact O-N 2.94Å
540I96.8Very high93Very high2 Ų240.9 Ų40.91%0.0121%0.206CC..BIsolated β-bridgetrans-126.2147.6172-65.6175.1000107.5I534 H537 K538 N542 Y609 L610 K634 F638I534-I540 HydrophobicContact CG2-CD1 4.03Å; H537-I540 HydrophobicContact CB-CB 4.19Å; H537-I540 HydrophobicContact CB-CD1 3.87Å; H537-I540 HydrophobicContact CB-CG1 4.1Å; K538-I540 PolarHBondContact O-N 3.19Å; I540-N542 PolarHBondContact O-N 3.39Å; I540-N542 PolarHBondContact O-ND2 2.8Å; I540-Y609 HydrophobicContact CD1-CD1 3.52Å; I540-Y609 HydrophobicContact CD1-CE1 4.15Å; I540-Y609 HydrophobicContact CD1-CG 4.45Å; I540-L610 HydrophobicContact CD1-CD1 4.33Å; I540-L610 HydrophobicContact CD1-CD2 3.84Å; I540-L610 HydrophobicContact CD1-CG 3.71Å; I540-K634 PolarHBondContact O-NZ 3.15Å; I540-F638 HydrophobicContact CG2-CE2 3.85Å; I540-F638 HydrophobicContact CG2-CZ 3.68Å
541I95.6Very high93.1Very high7 Ų741.7 Ų41.74%0.03622%0.221CC..  trans-72.1112.5170.1-153.571.5000107.9M531 V557 E558 L626 K634 I635 A636 F638M531-I541 HydrophobicContact CE-CG2 3.85Å; M531-I541 WeakPolarHBondContact CE-O 3.47Å; I541-V557 HydrophobicContact CG1-CB 4.42Å; I541-V557 HydrophobicContact CG1-CG2 4.36Å; I541-E558 HydrophobicContact CD1-CB 3.84Å; I541-E558 WeakPolarHBondContact CD1-O 3.1Å; I541-E558 HydrophobicContact CG1-CB 4.28Å; I541-L626 HydrophobicContact CD1-CD1 3.91Å; I541-L626 HydrophobicContact CG1-CD1 4.21Å; I541-K634 HydrophobicContact CB-CB 4.49Å; I541-K634 HydrophobicContact CD1-CB 4.18Å; I541-K634 HydrophobicContact CD1-CD 3.8Å; I541-I635 PolarHBondContact N-O 3.35Å; I541-A636 HydrophobicContact CB-CB 4.1Å; I541-A636 HydrophobicContact CG2-CB 3.68Å; I541-F638 HydrophobicContact CG2-CE2 4.26Å
542N94.9Very high93.2Very high10 Ų1045.1 Ų45.15%0.05324%0.244CC..  trans-85.1140.8-173.1-59.7-65.5000111K536 H537 I540 V557 E558K536-N542 VanDerWaalsContact CA-OD1 3.26Å; K536-N542 WeakPolarHBondContact CA-OD1 3.41Å; K536-N542 HydrophobicContact CG-CB 4.47Å; H537-N542 PolarHBondContact N-OD1 2.79Å; H537-N542 PolarHBondContact O-ND2 3.33Å; H537-N542 PolarHBondContact O-OD1 3Å; I540-N542 PolarHBondContact O-N 3.39Å; I540-N542 PolarHBondContact O-ND2 2.8Å; N542-V557 WeakPolarHBondContact O-CA 3.3Å; N542-E558 HydrophobicContact CB-CG 4.14Å; N542-E558 PolarHBondContact N-OE2 3.5Å; N542-E558 VanDerWaalsContact ND2-CD 3.28Å; N542-E558 PolarHBondContact ND2-OE1 3.29Å; N542-E558 PolarHBondContact ND2-OE2 3.35Å; N542-E558 VanDerWaalsContact ND2-OE2 3.14Å; N542-E558 PolarHBondContact O-N 3.11Å
543L95.3Very high93.2Very high4 Ų444.2 Ų44.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-66.1134.8166-173.867.5000109W467 M531 K532 G545 V555 V557W467-L543 HydrophobicContact CD2-CD2 3.93Å; W467-L543 HydrophobicContact CE3-CD2 3.66Å; W467-L543 HydrophobicContact CE3-CG 3.85Å; W467-L543 HydrophobicContact CH2-CB 4.17Å; W467-L543 HydrophobicContact CH2-CD2 4.03Å; W467-L543 HydrophobicContact CH2-CG 4.3Å; W467-L543 HydrophobicContact CZ2-CD2 4.3Å; W467-L543 HydrophobicContact CZ3-CB 3.87Å; W467-L543 HydrophobicContact CZ3-CD2 3.72Å; W467-L543 HydrophobicContact CZ3-CG 3.69Å; W467-L543 WeakPolarHBondContact CZ3-O 3.4Å; M531-L543 HydrophobicContact CB-CB 3.98Å; M531-L543 HydrophobicContact CB-CD2 4.37Å; M531-L543 HydrophobicContact CE-CB 4.23Å; K532-L543 HydrophobicContact CG-CD2 3.62Å; L543-G545 WeakPolarHBondContact CD1-O 3.41Å; L543-V555 HydrophobicContact CD1-CG1 3.57Å; L543-V557 HydrophobicContact CD1-CG1 4.32Å
544L95.5Very high93.6Very high41 Ų4139.5 Ų39.522%0.21522%0.216CC..EExtended strand (participates in β ladder)trans-107.9-35.7176.8-58.7-179.4000111.6I496 L505 V507 L556 E558I496-L544 HydrophobicContact CD1-CB 3.5Å; I496-L544 HydrophobicContact CD1-CD1 4.35Å; I496-L544 HydrophobicContact CG1-CB 4.06Å; L505-L544 HydrophobicContact CD2-CD1 4.33Å; V507-L544 HydrophobicContact CB-CD1 4.31Å; V507-L544 HydrophobicContact CG1-CD1 3.5Å; L544-L556 WeakPolarHBondContact CB-O 3.43Å; L544-L556 PolarHBondContact N-O 3.25Å; L544-E558 HydrophobicContact CD1-CG 4.34Å; L544-E558 HydrophobicContact CD2-CG 3.98Å; L544-E558 HydrophobicContact CG-CG 4.27Å
545G95.3Very high93.9Very high1 Ų139.4 Ų39.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans178.9-175.2176.500000112.1W467 L543 L556W467-G545 CarbonylContact O-C 3.53Å; W467-G545 WeakPolarHBondContact O-CA 3.43Å; L543-G545 WeakPolarHBondContact CD1-O 3.41Å; G545-L556 PolarHBondContact N-O 3.15Å; G545-L556 WeakPolarHBondContact O-CA 3.39Å; G545-L556 WeakPolarHBondContact O-CB 3.28Å; G545-L556 PolarHBondContact O-N 2.97Å
546A96.3Very high94.2Very high1 Ų138 Ų381%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-145.9152.2172.800000110.7W467 E468 F469 M528 T548 Y554W467-A546 PolarHBondContact O-N 3.14Å; E468-A546 CarbonylContact C-O 3.6Å; E468-A546 VanDerWaalsContact CA-O 3.3Å; E468-A546 WeakPolarHBondContact CA-O 3.25Å; F469-A546 PolarHBondContact N-O 3.16Å; M528-A546 HydrophobicContact SD-CB 3.5Å; M528-A546 VanDerWaalsContact SD-CB 3.5Å; A546-T548 HydrophobicContact CB-CG2 3.84Å; A546-Y554 CarbonylContact C-O 3.57Å; A546-Y554 WeakPolarHBondContact CA-O 3.46Å; A546-Y554 WeakPolarHBondContact CB-O 3.33Å
547C95.5Very high94.3Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-106.3104.6162.2-51.10000106.9F469 R471 Y554F469-C547 PolarHBondContact O-SG 3.33Å; R471-C547 HydrophobicContact CG-CB 3.83Å; R471-C547 PolarHBondContact NH2-O 2.69Å; C547-Y554 HydrophobicContact CB-CD2 4.19Å; C547-Y554 HydrophobicContact CB-CG 4.47Å; C547-Y554 PolarHBondContact N-O 3.19Å; C547-Y554 PolarHBondContact O-N 3.45Å
548T93.8Very high94.2Very high17 Ų1732.8 Ų32.810%0.10418%0.18CC..  trans-107.1-25.6-17670.70000112.6E468 M528 A546 L553E468-T548 PolarHBondContact OE1-N 2.85Å; E468-T548 WeakPolarHBondContact OE2-CB 3.46Å; E468-T548 PolarHBondContact OE2-N 2.85Å; E468-T548 PolarHBondContact OE2-OG1 2.94Å; M528-T548 HydrophobicContact CE-CG2 4.18Å; M528-T548 HydrophobicContact SD-CG2 4.04Å; A546-T548 HydrophobicContact CB-CG2 3.84Å; T548-L553 HydrophobicContact CG2-CD1 3.99Å
549Q90.3Very high94.1Very high59 Ų5929.7 Ų29.728%0.27617%0.165SC..SBendtrans-97.9158-177.4-51.6-57.5-77.400111.8L461 E468 R471 G551L461-Q549 PolarHBondContact O-NE2 3.41Å; E468-Q549 PolarHBondContact OE1-N 3.19Å; E468-Q549 VanDerWaalsContact OE1-N 3.14Å; R471-Q549 VanDerWaalsContact CZ-O 3.23Å; R471-Q549 PolarHBondContact NE-O 3.38Å; R471-Q549 PolarHBondContact NH2-O 3.29Å; Q549-G551 PolarHBondContact O-N 3.17Å
550D86.6Confident94Very high163 Ų16330.2 Ų30.287%0.87217%0.169SC*.SBendtrans49.346.3168.1-52.6-44.5000114.9R471R471-D550 PolarHBondContact NE-O 3.03Å
551G87.8Confident93.9Very high46 Ų4632 Ų3247%0.47418%0.182SC..SBendtrans147.9-171176.500000114.4R471 Q549R471-G551 PolarHBondContact NH2-O 3.36Å; Q549-G551 PolarHBondContact O-N 3.17Å
552P90.8Very high93.8Very high80 Ų8033.9 Ų33.952%0.51919%0.19SC..SBendtrans-63.3146.9-177.226.5-36000112.7R471 Y554R471-P552 VanDerWaalsContact CZ-O 3.25Å; R471-P552 PolarHBondContact NH1-O 2.71Å; R471-P552 PolarHBondContact NH2-O 3.4Å; P552-Y554 HydrophobicContact CB-CE1 4.07Å; P552-Y554 HydrophobicContact CG-CE1 3.71Å; P552-Y554 HydrophobicContact CG-CE2 4.48Å; P552-Y554 PolarHBondContact O-N 3.05Å
553L92.1Very high93.6Very high12 Ų1235 Ų356%0.06320%0.203CC..  trans-65.9118.5178.4176.960.4000111.1L461 L521 L524 V525 M528 T548 V555L461-L553 HydrophobicContact CD1-CD1 3.94Å; L461-L553 HydrophobicContact CD1-CD2 4.02Å; L461-L553 HydrophobicContact CD1-CG 4.39Å; L521-L553 HydrophobicContact CD1-CD2 4.11Å; L524-L553 HydrophobicContact CB-CD2 4.49Å; L524-L553 HydrophobicContact CD2-CD2 3.91Å; L524-L553 HydrophobicContact CD2-CG 4.18Å; L524-L553 HydrophobicContact CG-CD2 3.9Å; V525-L553 HydrophobicContact CG2-CD2 3.54Å; M528-L553 HydrophobicContact CE-CD1 4.47Å; M528-L553 HydrophobicContact SD-CD1 4.21Å; T548-L553 HydrophobicContact CG2-CD1 3.99Å; L553-V555 HydrophobicContact CD1-CG2 4.39Å; L553-V555 HydrophobicContact CG-CG2 4.31Å
554Y95Very high93.5Very high45 Ų4537 Ų3718%0.17621%0.214CC..EExtended strand (participates in β ladder)trans-115.9124172.4-64.4-21.8000109.9L474 L476 V509 M511 A546 C547 P552L474-Y554 HydrophobicContact CD2-CD2 3.84Å; L474-Y554 HydrophobicContact CD2-CE2 4.46Å; L476-Y554 HydrophobicContact CD1-CE2 4.15Å; V509-Y554 HydrophobicContact CG1-CD1 4.28Å; V509-Y554 HydrophobicContact CG1-CG 3.97Å; M511-Y554 HydrophobicContact CB-CD1 3.75Å; M511-Y554 HydrophobicContact CB-CE1 4.02Å; M511-Y554 HydrophobicContact CE-CD1 3.73Å; M511-Y554 HydrophobicContact CE-CE1 3.64Å; M511-Y554 HydrophobicContact CE-CG 4.44Å; M511-Y554 HydrophobicContact SD-CD1 4.36Å; M511-Y554 HydrophobicContact SD-CE1 3.88Å; A546-Y554 CarbonylContact C-O 3.57Å; A546-Y554 WeakPolarHBondContact CA-O 3.46Å; A546-Y554 WeakPolarHBondContact CB-O 3.33Å; C547-Y554 HydrophobicContact CB-CD2 4.19Å; C547-Y554 HydrophobicContact CB-CG 4.47Å; C547-Y554 PolarHBondContact N-O 3.19Å; C547-Y554 PolarHBondContact O-N 3.45Å; P552-Y554 HydrophobicContact CB-CE1 4.07Å; P552-Y554 HydrophobicContact CG-CE1 3.71Å; P552-Y554 HydrophobicContact CG-CE2 4.48Å; P552-Y554 PolarHBondContact O-N 3.05Å
555V94.7Very high93.6Very high3 Ų335.1 Ų35.12%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-105.7113.3174.7-174.40000108.3V509 K510 L524 M528 L543 L553 V557V509-V555 WeakPolarHBondContact CA-O 3.26Å; K510-V555 HydrophobicContact CB-CB 4.38Å; K510-V555 PolarHBondContact N-O 3.26Å; K510-V555 PolarHBondContact O-N 3.26Å; L524-V555 HydrophobicContact CD1-CB 4.45Å; L524-V555 HydrophobicContact CD1-CG2 3.79Å; L524-V555 HydrophobicContact CG-CG2 4.08Å; M528-V555 HydrophobicContact CB-CG1 4.29Å; M528-V555 HydrophobicContact CB-CG2 4.01Å; M528-V555 HydrophobicContact CG-CG1 4.38Å; M528-V555 HydrophobicContact CG-CG2 4.35Å; M528-V555 HydrophobicContact SD-CG2 4.35Å; L543-V555 HydrophobicContact CD1-CG1 3.57Å; L553-V555 HydrophobicContact CD1-CG2 4.39Å; L553-V555 HydrophobicContact CG-CG2 4.31Å; V555-V557 HydrophobicContact CG1-CG1 4.2Å
556L96.1Very high93.5Very high0 Ų037.7 Ų37.70%021%0.214CC..EExtended strand (participates in β ladder)trans-96.1117.6-174-67.672000109.5F469 L474 A493 I496 V509 L544 G545F469-L556 HydrophobicContact CB-CD2 4.27Å; F469-L556 HydrophobicContact CD1-CD2 3.68Å; F469-L556 HydrophobicContact CE1-CD2 4.25Å; F469-L556 HydrophobicContact CG-CD2 3.97Å; L474-L556 HydrophobicContact CD1-CD2 3.83Å; L474-L556 HydrophobicContact CD1-CG 4.47Å; L474-L556 HydrophobicContact CD2-CD1 4.31Å; L474-L556 HydrophobicContact CD2-CD2 4.24Å; L474-L556 HydrophobicContact CD2-CG 4.42Å; A493-L556 HydrophobicContact CB-CD2 4.38Å; I496-L556 HydrophobicContact CD1-CB 4.19Å; I496-L556 HydrophobicContact CD1-CD2 3.67Å; V509-L556 HydrophobicContact CG2-CG 4.27Å; L544-L556 WeakPolarHBondContact CB-O 3.43Å; L544-L556 PolarHBondContact N-O 3.25Å; G545-L556 PolarHBondContact N-O 3.15Å; G545-L556 WeakPolarHBondContact O-CA 3.39Å; G545-L556 WeakPolarHBondContact O-CB 3.28Å; G545-L556 PolarHBondContact O-N 2.97Å
557V95.7Very high93.3Very high21 Ų2141.8 Ų41.813%0.12723%0.233CC..EExtended strand (participates in β ladder)trans-125.1164.5-178-540000111A508 M531 I541 N542 L543 V555A508-V557 HydrophobicContact CB-CG2 3.89Å; A508-V557 PolarHBondContact N-O 2.67Å; A508-V557 PolarHBondContact O-N 2.82Å; M531-V557 HydrophobicContact CE-CB 4.44Å; M531-V557 HydrophobicContact CE-CG1 3.69Å; M531-V557 HydrophobicContact SD-CG1 4.11Å; I541-V557 HydrophobicContact CG1-CB 4.42Å; I541-V557 HydrophobicContact CG1-CG2 4.36Å; N542-V557 WeakPolarHBondContact O-CA 3.3Å; L543-V557 HydrophobicContact CD1-CG1 4.32Å; V555-V557 HydrophobicContact CG1-CG1 4.2Å
558E95.4Very high93.2Very high46 Ų4642.2 Ų42.222%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-52.8139.8173.8-70.5171.4152.200112.2I541 N542 L544 K634I541-E558 HydrophobicContact CD1-CB 3.84Å; I541-E558 WeakPolarHBondContact CD1-O 3.1Å; I541-E558 HydrophobicContact CG1-CB 4.28Å; N542-E558 HydrophobicContact CB-CG 4.14Å; N542-E558 PolarHBondContact N-OE2 3.5Å; N542-E558 VanDerWaalsContact ND2-CD 3.28Å; N542-E558 PolarHBondContact ND2-OE1 3.29Å; N542-E558 PolarHBondContact ND2-OE2 3.35Å; N542-E558 VanDerWaalsContact ND2-OE2 3.14Å; N542-E558 PolarHBondContact O-N 3.11Å; L544-E558 HydrophobicContact CD1-CG 4.34Å; L544-E558 HydrophobicContact CD2-CG 3.98Å; L544-E558 HydrophobicContact CG-CG 4.27Å; E558-K634 IonicContact OE1-NZ 2.75Å; E558-K634 PolarHBondContact OE1-NZ 3.41Å; E558-K634 WeakPolarHBondContact OE2-CE 3.4Å; E558-K634 IonicContact OE2-NZ 3.26Å; E558-K634 PolarHBondContact OE2-NZ 2.87Å
559Y95.6Very high93.2Very high64 Ų6441.4 Ų41.425%0.25123%0.229SC..  trans-84.7137.2172.2178-116.9000111.1L480 M490 T506L480-Y559 HydrophobicContact CD1-CD2 3.82Å; L480-Y559 HydrophobicContact CD1-CE2 3.64Å; L480-Y559 HydrophobicContact CD2-CE2 3.85Å; L480-Y559 HydrophobicContact CG-CE2 4.42Å; M490-Y559 HydrophobicContact CE-CD2 4.47Å; M490-Y559 HydrophobicContact CE-CE1 3.8Å; M490-Y559 HydrophobicContact CE-CE2 3.68Å; M490-Y559 WeakPolarHBondContact CE-OH 3.4Å; T506-Y559 HydrophobicContact CG2-CD1 3.78Å; T506-Y559 HydrophobicContact CG2-CE1 4.24Å; T506-Y559 HydrophobicContact CG2-CG 4.05Å; T506-Y559 WeakPolarHBondContact O-CB 3.23Å
560A95.3Very high93.2Very high12 Ų1242 Ų4210%0.09923%0.229CC..  trans-121.1101.7177.400000109.4K562 G563 L626 V627 T628A560-K562 PolarHBondContact O-N 2.97Å; A560-G563 PolarHBondContact O-N 3.03Å; A560-L626 HydrophobicContact CB-CB 3.65Å; A560-L626 HydrophobicContact CB-CD1 4.22Å; A560-L626 HydrophobicContact CB-CG 4.46Å; A560-V627 CarbonylContact C-O 3.53Å; A560-T628 HydrophobicContact CB-CG2 4.44Å
561S93.8Very high93.3Very high40 Ų4037.1 Ų37.128%0.2821%0.211SC..THydrogen-bonded Turntrans-67.2-28.7-166.451.40000115.3G563 E629S561-G563 VanDerWaalsContact C-N 3.32Å; S561-E629 WeakPolarHBondContact CB-OE2 3.42Å; S561-E629 WeakPolarHBondContact OG-CA 3.36Å; S561-E629 WeakPolarHBondContact OG-CB 3.43Å; S561-E629 PolarHBondContact OG-N 3.3Å; S561-E629 VanDerWaalsContact OG-N 3.11Å; S561-E629 PolarHBondContact OG-OE2 3.46Å
562K93.4Very high93.3Very high47 Ų4736.9 Ų36.920%0.20420%0.196CC..THydrogen-bonded Turntrans-91.99.8-177.8-56.2-170.1-177.5174.80113.2A560 Y568 V627 E629 N631A560-K562 PolarHBondContact O-N 2.97Å; K562-Y568 HydrophobicContact CB-CD2 3.95Å; K562-Y568 HydrophobicContact CB-CE2 4.32Å; K562-Y568 HydrophobicContact CD-CD2 4.34Å; K562-Y568 HydrophobicContact CD-CE2 3.85Å; K562-V627 HydrophobicContact CB-CB 4.03Å; K562-V627 HydrophobicContact CB-CG1 4.05Å; K562-V627 HydrophobicContact CD-CG1 4.45Å; K562-V627 PolarHBondContact N-O 2.93Å; K562-E629 WeakPolarHBondContact CE-O 3.32Å; K562-E629 WeakPolarHBondContact CE-OE1 3.43Å; K562-E629 PolarHBondContact NZ-O 2.93Å; K562-N631 PolarHBondContact NZ-OD1 3.19Å
563G91.8Very high93.1Very high32 Ų3233.9 Ų33.933%0.3317%0.174SC..  trans74.9-149.9172.400000113.7A560 S561 L626 V627A560-G563 PolarHBondContact O-N 3.03Å; S561-G563 VanDerWaalsContact C-N 3.32Å; G563-L626 CarbonylContact O-C 3.59Å; G563-L626 WeakPolarHBondContact O-CA 3.49Å; G563-V627 PolarHBondContact O-N 2.98Å
564N94.1Very high92.3Very high48 Ų4835 Ų3526%0.25718%0.182SC..BIsolated β-bridgetrans-86.2149.9178.872.780.1000112.3R566 E567 Y568 R623 V625 L626N564-R566 VanDerWaalsContact C-N 3.29Å; N564-R566 PolarHBondContact O-N 3.28Å; N564-R566 WeakPolarHBondContact OD1-CB 3.22Å; N564-R566 PolarHBondContact OD1-N 2.95Å; N564-E567 PolarHBondContact O-N 3.01Å; N564-E567 PolarHBondContact OD1-N 2.81Å; N564-Y568 WeakPolarHBondContact O-CB 3.34Å; N564-Y568 PolarHBondContact O-N 3.45Å; N564-R623 WeakPolarHBondContact CB-O 2.96Å; N564-V625 CarbonylContact C-O 3.59Å; N564-V625 VanDerWaalsContact CA-O 3.29Å; N564-V625 WeakPolarHBondContact CA-O 3.47Å; N564-L626 HydrophobicContact CB-CD2 4.19Å
565L95.8Very high90.9Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-60.2-36.2-174.8177.959.6000112.3E567 Y568 L569 A622 V625 V627 M633 L685 I689L565-E567 PolarHBondContact O-N 2.94Å; L565-Y568 HydrophobicContact CD1-CD1 3.99Å; L565-Y568 PolarHBondContact O-N 2.94Å; L565-L569 HydrophobicContact CD1-CD1 3.98Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.77Å; L565-L569 HydrophobicContact CG-CD1 3.86Å; L565-L569 HydrophobicContact CG-CG 4.17Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.78Å; L565-A622 WeakPolarHBondContact CB-O 3.33Å; L565-A622 PolarHBondContact N-O 3.27Å; L565-V625 HydrophobicContact CB-CB 3.89Å; L565-V625 HydrophobicContact CB-CG1 4.09Å; L565-V625 HydrophobicContact CD2-CB 4Å; L565-V625 HydrophobicContact CD2-CG1 3.89Å; L565-V625 PolarHBondContact N-O 3.32Å; L565-V627 HydrophobicContact CB-CG2 4.15Å; L565-V627 HydrophobicContact CD1-CG2 4.07Å; L565-M633 HydrophobicContact CD1-SD 3.71Å; L565-M633 HydrophobicContact CD2-SD 4.25Å; L565-M633 HydrophobicContact CG-SD 4.49Å; L565-L685 HydrophobicContact CD2-CD1 4.4Å; L565-I689 HydrophobicContact CD2-CD1 4.26Å; L565-I689 HydrophobicContact CD2-CG1 4.11Å
566R93.9Very high89.2Confident56 Ų5639.7 Ų39.721%0.21123%0.229CC..Hα-helixtrans-59.2-50.6178.5-169.4-171.1-166.8-1736.5112N564 R570 A622N564-R566 VanDerWaalsContact C-N 3.29Å; N564-R566 PolarHBondContact O-N 3.28Å; N564-R566 WeakPolarHBondContact OD1-CB 3.22Å; N564-R566 PolarHBondContact OD1-N 2.95Å; R566-R570 WeakPolarHBondContact O-CB 3.18Å; R566-R570 WeakPolarHBondContact O-CD 3.47Å; R566-R570 WeakPolarHBondContact O-CG 3.15Å; R566-R570 PolarHBondContact O-N 3.26Å; R566-R570 VanDerWaalsContact O-N 3.13Å; R566-A622 HydrophobicContact CB-CB 3.94Å; R566-A622 PolarHBondContact N-O 2.9Å
567E91.6Very high87.2Confident87 Ų8743.8 Ų43.841%0.40725%0.249SC..Hα-helixtrans-76.2-31.6179.9-58.6-49.6135.400112N564 L565 L569 R570 A571N564-E567 PolarHBondContact O-N 3.01Å; N564-E567 PolarHBondContact OD1-N 2.81Å; L565-E567 PolarHBondContact O-N 2.94Å; E567-L569 PolarHBondContact O-N 3.47Å; E567-R570 PolarHBondContact O-N 3.48Å; E567-R570 WeakPolarHBondContact OE1-CD 3.35Å; E567-R570 IonicContact OE1-CZ 2.72Å; E567-R570 IonicContact OE1-NE 3.76Å; E567-R570 IonicContact OE1-NH1 3.1Å; E567-R570 PolarHBondContact OE1-NH1 3.07Å; E567-R570 VanDerWaalsContact OE2-CD 3.27Å; E567-R570 WeakPolarHBondContact OE2-CD 3.33Å; E567-R570 IonicContact OE2-NH1 3.35Å; E567-A571 WeakPolarHBondContact O-CB 3.36Å; E567-A571 PolarHBondContact O-N 3.24Å
568Y93.7Very high84.8Confident9 Ų945.8 Ų45.84%0.03526%0.259CS..Hα-helixtrans-56.8-45.6170.2173.3-89.8000112.9K562 N564 L565 R572 L591 V627 N631K562-Y568 HydrophobicContact CB-CD2 3.95Å; K562-Y568 HydrophobicContact CB-CE2 4.32Å; K562-Y568 HydrophobicContact CD-CD2 4.34Å; K562-Y568 HydrophobicContact CD-CE2 3.85Å; N564-Y568 WeakPolarHBondContact O-CB 3.34Å; N564-Y568 PolarHBondContact O-N 3.45Å; L565-Y568 HydrophobicContact CD1-CD1 3.99Å; L565-Y568 PolarHBondContact O-N 2.94Å; Y568-R572 PolarHBondContact O-NH1 2.89Å; Y568-L591 HydrophobicContact CE1-CD1 4.07Å; Y568-L591 HydrophobicContact CE1-CD2 3.96Å; Y568-V627 HydrophobicContact CD1-CG2 4.24Å; Y568-V627 HydrophobicContact CD2-CB 4.17Å; Y568-V627 HydrophobicContact CD2-CG1 3.87Å; Y568-V627 HydrophobicContact CD2-CG2 4.25Å; Y568-V627 HydrophobicContact CE2-CG1 3.8Å; Y568-V627 HydrophobicContact CG-CB 4.35Å; Y568-V627 HydrophobicContact CG-CG1 4.31Å; Y568-V627 HydrophobicContact CG-CG2 3.93Å; Y568-N631 PolarHBondContact OH-OD1 2.94Å
569L93.3Very high82.2Confident0 Ų052.4 Ų52.40%028%0.284CS..Hα-helixtrans-66.9-44.4176.3-69.8165.7000111.2L565 E567 A571 R572 R573 L591 L596 I689 L692L565-L569 HydrophobicContact CD1-CD1 3.98Å; L565-L569 HydrophobicContact CD1-CD2 4.19Å; L565-L569 HydrophobicContact CD1-CG 3.77Å; L565-L569 HydrophobicContact CG-CD1 3.86Å; L565-L569 HydrophobicContact CG-CG 4.17Å; L565-L569 WeakPolarHBondContact O-CB 3.29Å; L565-L569 WeakPolarHBondContact O-CD1 3.36Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 2.78Å; E567-L569 PolarHBondContact O-N 3.47Å; L569-A571 VanDerWaalsContact C-N 3.34Å; L569-A571 PolarHBondContact O-N 3.3Å; L569-R572 CarbonylContact O-C 3.53Å; L569-R572 PolarHBondContact O-N 2.95Å; L569-R572 VanDerWaalsContact O-N 3.09Å; L569-R573 PolarHBondContact O-N 2.89Å; L569-L591 HydrophobicContact CD2-CD1 3.63Å; L569-L596 HydrophobicContact CD2-CD2 3.74Å; L569-I689 HydrophobicContact CD1-CG1 4.35Å; L569-L692 CarbonylContact C-O 3.43Å; L569-L692 VanDerWaalsContact CB-C 3.44Å; L569-L692 HydrophobicContact CB-CB 4.47Å; L569-L692 HydrophobicContact CD2-CD2 4.27Å
570R90.8Very high79.3Confident71 Ų7152.1 Ų52.127%0.26829%0.291SS..Hα-helixtrans-62.8-38.9-178.8-76.5165.8165.2-154.5-19.3113.1R566 E567 R572 R573 L692 G693R566-R570 WeakPolarHBondContact O-CB 3.18Å; R566-R570 WeakPolarHBondContact O-CD 3.47Å; R566-R570 WeakPolarHBondContact O-CG 3.15Å; R566-R570 PolarHBondContact O-N 3.26Å; R566-R570 VanDerWaalsContact O-N 3.13Å; E567-R570 PolarHBondContact O-N 3.48Å; E567-R570 WeakPolarHBondContact OE1-CD 3.35Å; E567-R570 IonicContact OE1-CZ 2.72Å; E567-R570 IonicContact OE1-NE 3.76Å; E567-R570 IonicContact OE1-NH1 3.1Å; E567-R570 PolarHBondContact OE1-NH1 3.07Å; E567-R570 VanDerWaalsContact OE2-CD 3.27Å; E567-R570 WeakPolarHBondContact OE2-CD 3.33Å; E567-R570 IonicContact OE2-NH1 3.35Å; R570-R572 PolarHBondContact O-N 2.87Å; R570-R573 WeakPolarHBondContact O-CB 3.47Å; R570-R573 PolarHBondContact O-N 3.28Å; R570-L692 PolarHBondContact N-O 2.73Å; R570-G693 PolarHBondContact NE-O 3.31Å; R570-G693 PolarHBondContact NH2-O 3.37Å
571A88.6Confident76.6Confident61 Ų6155.8 Ų55.850%0.50431%0.305SS..THydrogen-bonded Turntrans-64.3-20176.200000113.3E567 L569E567-A571 WeakPolarHBondContact O-CB 3.36Å; E567-A571 PolarHBondContact O-N 3.24Å; L569-A571 VanDerWaalsContact C-N 3.34Å; L569-A571 PolarHBondContact O-N 3.3Å
572R89Confident74.1Confident40 Ų4060.5 Ų60.515%0.15133%0.327CS..THydrogen-bonded Turntrans-110.219.2-178.3-61.6-179.1170.360.25.2113.3Y568 L569 R570 E589 L591Y568-R572 PolarHBondContact O-NH1 2.89Å; L569-R572 CarbonylContact O-C 3.53Å; L569-R572 PolarHBondContact O-N 2.95Å; L569-R572 VanDerWaalsContact O-N 3.09Å; R570-R572 PolarHBondContact O-N 2.87Å; R572-E589 WeakPolarHBondContact CG-O 3.44Å; R572-E589 IonicContact CZ-OE2 2.69Å; R572-E589 IonicContact NE-OE2 3.05Å; R572-E589 PolarHBondContact NE-OE2 3.37Å; R572-E589 IonicContact NH2-OE2 3.45Å; R572-E589 PolarHBondContact NH2-OE2 2.83Å; R572-L591 HydrophobicContact CB-CD1 4.01Å; R572-L591 HydrophobicContact CB-CG 3.87Å; R572-L591 HydrophobicContact CG-CG 4.39Å
573R85Confident71.6Confident17 Ų1760.1 Ų60.16%0.06433%0.328CS..PPolyproline II helixtrans-68.9140.2175-78.9171169.2-159.6-31111.2L569 R570 D578 T691 L692L569-R573 PolarHBondContact O-N 2.89Å; R570-R573 WeakPolarHBondContact O-CB 3.47Å; R570-R573 PolarHBondContact O-N 3.28Å; R573-D578 VanDerWaalsContact CD-OD2 3.31Å; R573-D578 WeakPolarHBondContact CD-OD2 3.35Å; R573-D578 VanDerWaalsContact CZ-CG 3.42Å; R573-D578 IonicContact CZ-OD1 2.78Å; R573-D578 IonicContact CZ-OD2 3.27Å; R573-D578 IonicContact NE-OD2 3.94Å; R573-D578 PolarHBondContact NE-OD2 3.21Å; R573-D578 IonicContact NH1-OD1 2.76Å; R573-D578 PolarHBondContact NH1-OD1 3.17Å; R573-D578 IonicContact NH1-OD2 3.85Å; R573-D578 PolarHBondContact NH1-OD2 2.76Å; R573-D578 IonicContact NH2-OD1 3.66Å; R573-D578 IonicContact NH2-OD2 3.65Å; R573-D578 PolarHBondContact NH2-OD2 2.9Å; R573-T691 PolarHBondContact NH2-O 3.33Å; R573-L692 HydrophobicContact CG-CB 3.65Å; R573-L692 HydrophobicContact CG-CD1 3.96Å; R573-L692 HydrophobicContact CG-CG 4.47Å; R573-L692 VanDerWaalsContact CZ-O 3.27Å; R573-L692 PolarHBondContact NE-O 3.21Å; R573-L692 PolarHBondContact NH2-O 3.05Å
574P76.7Confident69.1Low36 Ų3663.6 Ų63.623%0.23435%0.346CS..PPolyproline II helixtrans-54.7141.4171.2-24.533.2000111.5G576 M577P574-G576 PolarHBondContact O-N 2.83Å; P574-M577 HydrophobicContact CG-SD 4.21Å; P574-M577 PolarHBondContact O-N 3.46Å
575P64.5Low66.8Low88 Ų8869.5 Ų69.557%0.57137%0.37SS*.THydrogen-bonded Turntrans-53.5122.8174.8-26.335000111.5
576G59.3Low64.5Low58 Ų5876.1 Ų76.160%0.59840%0.404SS*.THydrogen-bonded Turntrans99.9-8.5178.300000116.3P574 D578P574-G576 PolarHBondContact O-N 2.83Å; G576-D578 PolarHBondContact O-N 2.85Å
577M53.1Low62.8Low87 Ų8774.6 Ų74.643%0.42940%0.401SS..SBendtrans-73.1-25.1-178.3-136.4174.8-161.800114.1P574 L692 A719P574-M577 HydrophobicContact CG-SD 4.21Å; P574-M577 PolarHBondContact O-N 3.46Å; M577-L692 HydrophobicContact SD-CD1 4.32Å; M577-A719 HydrophobicContact CE-CB 4.37Å
578D46Very low61.3Low62 Ų6278.6 Ų78.633%0.33243%0.425SS..  trans-143.6149.8-179-78.1-105.6000113.8R573 G576 S580R573-D578 VanDerWaalsContact CD-OD2 3.31Å; R573-D578 WeakPolarHBondContact CD-OD2 3.35Å; R573-D578 VanDerWaalsContact CZ-CG 3.42Å; R573-D578 IonicContact CZ-OD1 2.78Å; R573-D578 IonicContact CZ-OD2 3.27Å; R573-D578 IonicContact NE-OD2 3.94Å; R573-D578 PolarHBondContact NE-OD2 3.21Å; R573-D578 IonicContact NH1-OD1 2.76Å; R573-D578 PolarHBondContact NH1-OD1 3.17Å; R573-D578 IonicContact NH1-OD2 3.85Å; R573-D578 PolarHBondContact NH1-OD2 2.76Å; R573-D578 IonicContact NH2-OD1 3.66Å; R573-D578 IonicContact NH2-OD2 3.65Å; R573-D578 PolarHBondContact NH2-OD2 2.9Å; G576-D578 PolarHBondContact O-N 2.85Å; D578-S580 PolarHBondContact O-N 3.48Å; D578-S580 VanDerWaalsContact O-N 3.16Å
579Y40.1Very low60.2Low186 Ų18682.6 Ų82.673%0.72944%0.444SS*.  trans-8122.5178.5-74.8-98000114.3R182R182-Y579 PolarHBondContact NH2-O 2.82Å
580S36.4Very low59.6Low58 Ų5888.7 Ų88.741%0.40647%0.473SS..  trans-63.4162.516960.90000110.8D578D578-S580 PolarHBondContact O-N 3.48Å; D578-S580 VanDerWaalsContact O-N 3.16Å
581F38.6Very low59.6Low88 Ų8886.3 Ų86.339%0.38647%0.465SS..SBendtrans-90.1-10.7-167.4-99.3-121.1000115K180 V221K180-F581 HydrophobicContact CD-CE1 4.12Å; K180-F581 HydrophobicContact CD-CE2 3.68Å; K180-F581 HydrophobicContact CD-CZ 3.34Å; K180-F581 HydrophobicContact CG-CZ 4.49Å; V221-F581 HydrophobicContact CG2-CZ 4.11Å
582D41.1Very low59.7Low140 Ų14086.5 Ų86.575%0.74946%0.46SS*.  trans-100.1-7.8-161.5-63.1-44.7000115.9C584D582-C584 PolarHBondContact O-N 3.08Å
583T39.4Very low59.8Low38 Ų3887.8 Ų87.823%0.23347%0.467CS..THydrogen-bonded Turntrans-94.972.5-175.746.40000113.7
584C40.9Very low60.3Low105 Ų10589.6 Ų89.671%0.70948%0.475SS*.THydrogen-bonded Turntrans-102.7-3.4140.7-81.90000112.1K162 D582K162-C584 PolarHBondContact NZ-SG 3Å; K162-C584 VanDerWaalsContact NZ-SG 3.4Å; D582-C584 PolarHBondContact O-N 3.08Å
585K44.7Very low61.1Low173 Ų17390.8 Ų90.875%0.75248%0.48SS*.SBendtrans-84130.4164.5-63.8-171.3175.7-169.60109.1
586I48.9Very low62.6Low138 Ų13886.8 Ų86.871%0.70845%0.453SS*.PPolyproline II helixtrans-64.4132.2159.7-59.1170.3000105.6D588I586-D588 PolarHBondContact O-N 3.16Å
587P57.7Low64.4Low24 Ų2484 Ų8416%0.15643%0.425CS..PPolyproline II helixtrans-61.7127.9174.5-20.232.1000109.9E589P587-E589 PolarHBondContact O-N 3.42Å; P587-E589 VanDerWaalsContact O-N 3.16Å
588D58.5Low66.5Low171 Ų17181.5 Ų81.591%0.91442%0.416SS*.SBendtrans-60.9-23.7176.7-56.6-58.1000111.9I586I586-D588 PolarHBondContact O-N 3.16Å
589E71.1Confident68.9Low94 Ų9478.8 Ų78.844%0.43940%0.402SS..SBendtrans-134.1118.6172.9-62.4173.9152.300109.5R572 P587R572-E589 WeakPolarHBondContact CG-O 3.44Å; R572-E589 IonicContact CZ-OE2 2.69Å; R572-E589 IonicContact NE-OE2 3.05Å; R572-E589 PolarHBondContact NE-OE2 3.37Å; R572-E589 IonicContact NH2-OE2 3.45Å; R572-E589 PolarHBondContact NH2-OE2 2.83Å; P587-E589 PolarHBondContact O-N 3.42Å; P587-E589 VanDerWaalsContact O-N 3.16Å
590Q82Confident71.7Confident127 Ų12769.9 Ų69.959%0.59337%0.367SS*.PPolyproline II helixtrans-93137.4168.3-175.6173.8-15.400109.9
591L89.1Confident74.7Confident22 Ų2268.9 Ų68.912%0.11535%0.354CS..PPolyproline II helixtrans-76.1127.7176.9-64.1172.1000110.9Y568 L569 R572 D595 L596 L692Y568-L591 HydrophobicContact CE1-CD1 4.07Å; Y568-L591 HydrophobicContact CE1-CD2 3.96Å; L569-L591 HydrophobicContact CD2-CD1 3.63Å; R572-L591 HydrophobicContact CB-CD1 4.01Å; R572-L591 HydrophobicContact CB-CG 3.87Å; R572-L591 HydrophobicContact CG-CG 4.39Å; L591-D595 HydrophobicContact CB-CB 4.41Å; L591-D595 HydrophobicContact CD2-CB 4.05Å; L591-L596 HydrophobicContact CB-CD2 4.27Å; L591-L596 HydrophobicContact CD1-CD2 4.03Å; L591-L692 HydrophobicContact CD1-CD2 4.41Å
592T92.1Very high77.5Confident65 Ų6565.9 Ų65.940%0.39934%0.342SS..PPolyproline II helixtrans-77.2165.1170.769.50000110.9K594 D595 L596T592-K594 PolarHBondContact O-N 3.21Å; T592-K594 PolarHBondContact OG1-N 3.48Å; T592-D595 WeakPolarHBondContact CB-OD2 3.3Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 2.95Å; T592-D595 PolarHBondContact OG1-N 3.5Å; T592-D595 PolarHBondContact OG1-OD2 2.84Å; T592-L596 PolarHBondContact O-N 2.75Å
593F91.6Very high80.3Confident66 Ų6659.2 Ų59.229%0.28931%0.306SS..Hα-helixtrans-57.8-39170.6176.2-101.5000112D595 L596 V597 F690 T722 L725 T757F593-D595 VanDerWaalsContact C-N 3.33Å; F593-D595 PolarHBondContact O-N 3.47Å; F593-L596 PolarHBondContact O-N 2.62Å; F593-L596 VanDerWaalsContact O-N 3.16Å; F593-V597 HydrophobicContact CD1-CG2 4.2Å; F593-V597 HydrophobicContact CE1-CG2 3.73Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.77Å; F593-V597 WeakPolarHBondContact O-CG2 3.47Å; F593-V597 PolarHBondContact O-N 2.82Å; F593-F690 HydrophobicContact CD2-CE1 4.1Å; F593-F690 HydrophobicContact CE2-CD1 4.42Å; F593-F690 AromaticContact CE2-CE1 3.8Å; F593-F690 HydrophobicContact CE2-CE1 3.8Å; F593-T722 HydrophobicContact CE1-CG2 4.27Å; F593-T722 HydrophobicContact CE2-CG2 3.88Å; F593-T722 HydrophobicContact CZ-CG2 3.49Å; F593-T722 VanDerWaalsContact CZ-CG2 3.49Å; F593-L725 HydrophobicContact CE2-CD1 3.57Å; F593-L725 HydrophobicContact CZ-CD1 3.41Å; F593-L725 VanDerWaalsContact CZ-CD1 3.41Å; F593-T757 HydrophobicContact CD1-CG2 4.13Å
594K93.6Very high83.1Confident55 Ų5557.4 Ų57.424%0.23930%0.295CS..Hα-helixtrans-60.2-39.4175.9-170.9-179.8-176.7-1800112.3T592 V597 S598 L754 T757 S758 E761T592-K594 PolarHBondContact O-N 3.21Å; T592-K594 PolarHBondContact OG1-N 3.48Å; K594-V597 PolarHBondContact O-N 2.84Å; K594-S598 VanDerWaalsContact O-CB 3.3Å; K594-S598 WeakPolarHBondContact O-CB 3.22Å; K594-S598 PolarHBondContact O-N 3.1Å; K594-L754 HydrophobicContact CG-CD1 4.02Å; K594-T757 HydrophobicContact CB-CG2 3.88Å; K594-T757 HydrophobicContact CG-CG2 4.1Å; K594-S758 VanDerWaalsContact CE-OG 3.26Å; K594-S758 WeakPolarHBondContact CE-OG 3.48Å; K594-E761 WeakPolarHBondContact CD-OE1 3.44Å; K594-E761 IonicContact NZ-OE1 2.76Å; K594-E761 IonicContact NZ-OE2 2.77Å; K594-E761 PolarHBondContact NZ-OE2 3.3Å
595D94.5Very high85.8Confident61 Ų6156.5 Ų56.533%0.32628%0.277SS..Hα-helixtrans-64.6-39.7175-61.5-52.8000111.9L591 T592 F593 S598 C599L591-D595 HydrophobicContact CB-CB 4.41Å; L591-D595 HydrophobicContact CD2-CB 4.05Å; T592-D595 WeakPolarHBondContact CB-OD2 3.3Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 2.95Å; T592-D595 PolarHBondContact OG1-N 3.5Å; T592-D595 PolarHBondContact OG1-OD2 2.84Å; F593-D595 VanDerWaalsContact C-N 3.33Å; F593-D595 PolarHBondContact O-N 3.47Å; D595-S598 WeakPolarHBondContact O-CB 3.35Å; D595-S598 PolarHBondContact O-N 3.22Å; D595-C599 PolarHBondContact O-N 3.45Å; D595-C599 PolarHBondContact O-SG 2.94Å
596L96.1Very high88.4Confident4 Ų448.2 Ų48.22%0.02124%0.241CC..Hα-helixtrans-67.2-41.9177.4-59.1-179.8000111.9L569 L591 T592 F593 C599 A600 I689 F690 L692L569-L596 HydrophobicContact CD2-CD2 3.74Å; L591-L596 HydrophobicContact CB-CD2 4.27Å; L591-L596 HydrophobicContact CD1-CD2 4.03Å; T592-L596 PolarHBondContact O-N 2.75Å; F593-L596 PolarHBondContact O-N 2.62Å; F593-L596 VanDerWaalsContact O-N 3.16Å; L596-C599 WeakPolarHBondContact O-CB 3.32Å; L596-C599 PolarHBondContact O-N 3.11Å; L596-A600 PolarHBondContact O-N 3.35Å; L596-I689 HydrophobicContact CB-CG2 3.97Å; L596-I689 HydrophobicContact CD2-CG2 4.04Å; L596-F690 HydrophobicContact CB-CD1 4.04Å; L596-F690 HydrophobicContact CB-CE1 3.53Å; L596-F690 HydrophobicContact CB-CZ 3.98Å; L596-F690 HydrophobicContact CD1-CD1 3.96Å; L596-F690 HydrophobicContact CD1-CE1 4.22Å; L596-L692 HydrophobicContact CD1-CD2 3.88Å; L596-L692 HydrophobicContact CD2-CD2 3.64Å; L596-L692 HydrophobicContact CG-CD2 4.38Å
597V96.5Very high90.7Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-63.4-42.1172.5178.60000110.8F593 K594 C599 A600 Y601 F690 L725 I753 L754F593-V597 HydrophobicContact CD1-CG2 4.2Å; F593-V597 HydrophobicContact CE1-CG2 3.73Å; F593-V597 HydrophobicContact CE2-CG2 4.28Å; F593-V597 HydrophobicContact CZ-CG2 3.77Å; F593-V597 WeakPolarHBondContact O-CG2 3.47Å; F593-V597 PolarHBondContact O-N 2.82Å; K594-V597 PolarHBondContact O-N 2.84Å; V597-C599 PolarHBondContact O-N 2.91Å; V597-A600 WeakPolarHBondContact O-CB 3Å; V597-A600 PolarHBondContact O-N 3.22Å; V597-Y601 VanDerWaalsContact O-CB 3.32Å; V597-Y601 WeakPolarHBondContact O-CB 3.5Å; V597-Y601 PolarHBondContact O-N 2.87Å; V597-F690 HydrophobicContact CG2-CE1 4.34Å; V597-F690 HydrophobicContact CG2-CZ 4Å; V597-L725 HydrophobicContact CG2-CD1 4.08Å; V597-I753 HydrophobicContact CG1-CB 4.44Å; V597-I753 HydrophobicContact CG1-CG2 4.02Å; V597-I753 HydrophobicContact CG2-CG2 4.2Å; V597-L754 HydrophobicContact CB-CD1 4.29Å; V597-L754 HydrophobicContact CG1-CB 3.97Å; V597-L754 HydrophobicContact CG1-CD1 4.04Å
598S97.2Very high92.7Very high34 Ų3443.6 Ų43.624%0.23821%0.214CC..Hα-helixtrans-60.7-42.3174.1177.90000112.2K594 D595 Y601 Q602K594-S598 VanDerWaalsContact O-CB 3.3Å; K594-S598 WeakPolarHBondContact O-CB 3.22Å; K594-S598 PolarHBondContact O-N 3.1Å; D595-S598 WeakPolarHBondContact O-CB 3.35Å; D595-S598 PolarHBondContact O-N 3.22Å; S598-Y601 PolarHBondContact O-N 3.23Å; S598-Q602 VanDerWaalsContact O-CB 3.3Å; S598-Q602 WeakPolarHBondContact O-CB 3.47Å; S598-Q602 VanDerWaalsContact O-CG 3.22Å; S598-Q602 WeakPolarHBondContact O-CG 3.41Å; S598-Q602 PolarHBondContact O-N 2.81Å; S598-Q602 PolarHBondContact OG-NE2 3Å
599C97.8Very high94.5Very high5 Ų538 Ų383%0.03418%0.18CC..Hα-helixtrans-59.8-48.3174.4-68.40000111.2D595 L596 V597 Q602 V603 M633 I689D595-C599 PolarHBondContact O-N 3.45Å; D595-C599 PolarHBondContact O-SG 2.94Å; L596-C599 WeakPolarHBondContact O-CB 3.32Å; L596-C599 PolarHBondContact O-N 3.11Å; V597-C599 PolarHBondContact O-N 2.91Å; C599-Q602 PolarHBondContact O-N 3.2Å; C599-V603 WeakPolarHBondContact O-CG2 3.5Å; C599-V603 PolarHBondContact O-N 3.27Å; C599-V603 VanDerWaalsContact O-N 3.16Å; C599-M633 HydrophobicContact CB-CG 4.2Å; C599-M633 HydrophobicContact CB-SD 4.21Å; C599-M633 VanDerWaalsContact SG-CE 3.59Å; C599-I689 HydrophobicContact CB-CD1 4.47Å; C599-I689 HydrophobicContact CB-CG2 4.43Å
600A98.2Very high95.7Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-59-52.4177.600000112L596 V597 Q602 V603 A604 Y682 L686 I689 F690 L750L596-A600 PolarHBondContact O-N 3.35Å; V597-A600 WeakPolarHBondContact O-CB 3Å; V597-A600 PolarHBondContact O-N 3.22Å; A600-Q602 PolarHBondContact O-N 3.42Å; A600-V603 PolarHBondContact O-N 3.32Å; A600-A604 PolarHBondContact O-N 3.02Å; A600-Y682 VanDerWaalsContact C-OH 3.28Å; A600-Y682 PolarHBondContact O-OH 3.12Å; A600-L686 HydrophobicContact CB-CD2 3.45Å; A600-L686 VanDerWaalsContact CB-CD2 3.45Å; A600-I689 HydrophobicContact CB-CD1 4.38Å; A600-F690 HydrophobicContact CB-CE2 4.49Å; A600-L750 HydrophobicContact CB-CD1 4.24Å; A600-L750 HydrophobicContact CB-CD2 4.31Å
601Y98.6Very high96.2Very high36 Ų3628.7 Ų28.714%0.14114%0.141CC..Hα-helixtrans-56.8-45.7178.5169.8-103.1000112.5V597 S598 V603 A604 R605 V747 L750 D751 L754V597-Y601 VanDerWaalsContact O-CB 3.32Å; V597-Y601 WeakPolarHBondContact O-CB 3.5Å; V597-Y601 PolarHBondContact O-N 2.87Å; S598-Y601 PolarHBondContact O-N 3.23Å; Y601-V603 VanDerWaalsContact C-N 3.34Å; Y601-V603 PolarHBondContact O-N 3.48Å; Y601-A604 WeakPolarHBondContact O-CB 3.44Å; Y601-A604 PolarHBondContact O-N 3.44Å; Y601-R605 HydrophobicContact CE2-CG 4.33Å; Y601-R605 VanDerWaalsContact CZ-CD 3.44Å; Y601-R605 PolarHBondContact O-N 3.34Å; Y601-V747 HydrophobicContact CE2-CG1 4.04Å; Y601-L750 HydrophobicContact CD2-CB 4.08Å; Y601-D751 HydrophobicContact CD2-CB 4.33Å; Y601-D751 HydrophobicContact CE2-CB 3.72Å; Y601-D751 WeakPolarHBondContact CE2-OD1 3.43Å; Y601-D751 PolarHBondContact OH-OD1 3.34Å; Y601-L754 HydrophobicContact CD1-CD2 4.2Å; Y601-L754 HydrophobicContact CG-CD2 4.41Å
602Q98.6Very high96.5Very high25 Ų2531.1 Ų31.112%0.11716%0.16CC..Hα-helixtrans-61.1-41.1177.9-78.8-172.773.200112.4N539 S598 C599 A600 G606 N631 M633N539-Q602 WeakPolarHBondContact CB-O 3.43Å; N539-Q602 WeakPolarHBondContact ND2-CB 3.41Å; N539-Q602 PolarHBondContact ND2-OE1 3.4Å; S598-Q602 VanDerWaalsContact O-CB 3.3Å; S598-Q602 WeakPolarHBondContact O-CB 3.47Å; S598-Q602 VanDerWaalsContact O-CG 3.22Å; S598-Q602 WeakPolarHBondContact O-CG 3.41Å; S598-Q602 PolarHBondContact O-N 2.81Å; S598-Q602 PolarHBondContact OG-NE2 3Å; C599-Q602 PolarHBondContact O-N 3.2Å; A600-Q602 PolarHBondContact O-N 3.42Å; Q602-G606 PolarHBondContact O-N 3.14Å; Q602-N631 PolarHBondContact NE2-O 2.79Å; Q602-M633 HydrophobicContact CB-CB 3.89Å; Q602-M633 HydrophobicContact CB-CG 3.95Å
603V98.6Very high96.5Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-72-37.9175.6-179.40000111.7C599 A600 Y601 R605 G606 M607 L620 V625 M633 I635 Y682 L685C599-V603 WeakPolarHBondContact O-CG2 3.5Å; C599-V603 PolarHBondContact O-N 3.27Å; C599-V603 VanDerWaalsContact O-N 3.16Å; A600-V603 PolarHBondContact O-N 3.32Å; Y601-V603 VanDerWaalsContact C-N 3.34Å; Y601-V603 PolarHBondContact O-N 3.48Å; V603-R605 VanDerWaalsContact C-N 3.29Å; V603-R605 PolarHBondContact O-N 2.83Å; V603-G606 PolarHBondContact O-N 2.85Å; V603-G606 VanDerWaalsContact O-N 3.09Å; V603-M607 HydrophobicContact CG1-CG 4.32Å; V603-M607 PolarHBondContact O-N 3.43Å; V603-L620 HydrophobicContact CG1-CD1 4.3Å; V603-V625 HydrophobicContact CG1-CG2 4.46Å; V603-V625 HydrophobicContact CG2-CG1 3.9Å; V603-V625 HydrophobicContact CG2-CG2 4.16Å; V603-M633 HydrophobicContact CG2-CB 3.9Å; V603-M633 HydrophobicContact CG2-CG 4.39Å; V603-I635 HydrophobicContact CG1-CD1 4.08Å; V603-I635 HydrophobicContact CG1-CG1 3.98Å; V603-Y682 HydrophobicContact CB-CE2 4.18Å; V603-Y682 HydrophobicContact CG1-CD2 4.25Å; V603-Y682 HydrophobicContact CG1-CE2 4.05Å; V603-L685 HydrophobicContact CB-CD2 4.25Å; V603-L685 HydrophobicContact CG1-CD2 3.57Å; V603-L685 HydrophobicContact CG2-CD2 4.43Å
604A98.7Very high96.3Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-55.7-45.5174.400000111.3A600 Y601 G606 M607 E608 Y682 L746 V747 L750A600-A604 PolarHBondContact O-N 3.02Å; Y601-A604 WeakPolarHBondContact O-CB 3.44Å; Y601-A604 PolarHBondContact O-N 3.44Å; A604-G606 VanDerWaalsContact C-N 3.35Å; A604-G606 PolarHBondContact O-N 3.16Å; A604-M607 PolarHBondContact O-N 3.19Å; A604-E608 WeakPolarHBondContact O-CB 3.47Å; A604-E608 PolarHBondContact O-N 3.07Å; A604-Y682 HydrophobicContact CB-CE2 4.23Å; A604-L746 HydrophobicContact CB-CB 4.48Å; A604-V747 HydrophobicContact CB-CG2 3.69Å; A604-L750 HydrophobicContact CB-CD1 3.97Å
605R98.6Very high96.1Very high86 Ų8631.5 Ų31.533%0.32516%0.158SC..Hα-helixtrans-62.9-37.3175.5-73.7-176.755.7178.5-2.5113.5H537 Y601 V603 Y609 V747H537-R605 PolarHBondContact CE1-O 2.63Å; Y601-R605 HydrophobicContact CE2-CG 4.33Å; Y601-R605 VanDerWaalsContact CZ-CD 3.44Å; Y601-R605 PolarHBondContact O-N 3.34Å; V603-R605 VanDerWaalsContact C-N 3.29Å; V603-R605 PolarHBondContact O-N 2.83Å; R605-Y609 PolarHBondContact O-N 2.6Å; R605-Y609 VanDerWaalsContact O-N 3.1Å; R605-V747 HydrophobicContact CB-CG2 4.33Å; R605-V747 HydrophobicContact CG-CB 4.43Å; R605-V747 HydrophobicContact CG-CG1 3.8Å; R605-V747 HydrophobicContact CG-CG2 3.66Å
606G98.1Very high95.8Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-63.8-41.4173.300000112.4Q602 V603 A604 Y609 L610 I635Q602-G606 PolarHBondContact O-N 3.14Å; V603-G606 PolarHBondContact O-N 2.85Å; V603-G606 VanDerWaalsContact O-N 3.09Å; A604-G606 VanDerWaalsContact C-N 3.35Å; A604-G606 PolarHBondContact O-N 3.16Å; G606-Y609 PolarHBondContact O-N 3.26Å; G606-L610 WeakPolarHBondContact O-CG 3.41Å; G606-L610 PolarHBondContact O-N 3.33Å; G606-I635 VanDerWaalsContact C-CD1 3.44Å
607M98.3Very high95.6Very high1 Ų128.6 Ų28.61%0.00514%0.143CC..Hα-helixtrans-74.5-34.3177.8-69.2-57.3-53.300113.5V603 A604 Y609 L610 A611 H617 L620 I635 D678 F743V603-M607 HydrophobicContact CG1-CG 4.32Å; V603-M607 PolarHBondContact O-N 3.43Å; A604-M607 PolarHBondContact O-N 3.19Å; M607-Y609 VanDerWaalsContact C-N 3.32Å; M607-L610 HydrophobicContact CE-CD1 4.34Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 3.72Å; M607-A611 WeakPolarHBondContact O-CB 3.49Å; M607-A611 PolarHBondContact O-N 3.36Å; M607-H617 HydrophobicContact CE-CB 4.05Å; M607-H617 HydrophobicContact SD-CB 4.38Å; M607-L620 HydrophobicContact CE-CD2 4.11Å; M607-L620 HydrophobicContact CG-CD1 4.42Å; M607-L620 HydrophobicContact CG-CD2 3.78Å; M607-L620 HydrophobicContact SD-CD1 3.88Å; M607-L620 HydrophobicContact SD-CD2 3.72Å; M607-L620 HydrophobicContact SD-CG 4.34Å; M607-I635 HydrophobicContact CG-CD1 3.81Å; M607-I635 HydrophobicContact SD-CD1 3.74Å; M607-D678 HydrophobicContact CE-CB 3.71Å; M607-F743 HydrophobicContact CB-CD1 3.39Å; M607-F743 HydrophobicContact CB-CD2 3.9Å; M607-F743 HydrophobicContact CB-CE1 3.34Å; M607-F743 HydrophobicContact CB-CE2 3.85Å; M607-F743 HydrophobicContact CB-CG 3.68Å; M607-F743 HydrophobicContact CB-CZ 3.59Å; M607-F743 HydrophobicContact CE-CE2 3.75Å; M607-F743 HydrophobicContact CE-CZ 3.7Å; M607-F743 HydrophobicContact CG-CD1 4.32Å; M607-F743 HydrophobicContact CG-CE1 3.8Å; M607-F743 HydrophobicContact CG-CZ 3.92Å
608E98.3Very high95.2Very high63 Ų6329.9 Ų29.929%0.29415%0.148SC..Hα-helixtrans-58.7-46.5169.7-176.5-170.2-152.100110.3A604 A611 S612 F743 R744 V747A604-E608 WeakPolarHBondContact O-CB 3.47Å; A604-E608 PolarHBondContact O-N 3.07Å; E608-A611 PolarHBondContact O-N 3.19Å; E608-S612 PolarHBondContact O-N 3.15Å; E608-F743 HydrophobicContact CB-CB 3.96Å; E608-R744 HydrophobicContact CG-CB 4.39Å; E608-R744 WeakPolarHBondContact OE1-CA 3.49Å; E608-R744 WeakPolarHBondContact OE1-CB 3.47Å; E608-R744 WeakPolarHBondContact OE1-CG 3.3Å; E608-V747 HydrophobicContact CB-CG2 4.2Å
609Y97.8Very high94.8Very high53 Ų5329 Ų2921%0.20814%0.14CC..Hα-helixtrans-60.5-48.6174.9-176.7-94.2000111.5I534 K536 H537 I540 R605 G606 M607 A611 S612 Q613I534-Y609 HydrophobicContact CG2-CD1 4.46Å; I534-Y609 HydrophobicContact CG2-CE1 4Å; I534-Y609 VanDerWaalsContact O-CE1 3.27Å; I534-Y609 WeakPolarHBondContact O-CE1 3.26Å; I534-Y609 PolarHBondContact O-OH 3.29Å; I534-Y609 VanDerWaalsContact O-OH 3.13Å; K536-Y609 PolarHBondContact O-OH 2.96Å; H537-Y609 HydrophobicContact CB-CD1 3.68Å; H537-Y609 HydrophobicContact CB-CD2 4.31Å; H537-Y609 HydrophobicContact CB-CE1 3.83Å; H537-Y609 HydrophobicContact CB-CE2 4.46Å; H537-Y609 HydrophobicContact CB-CG 3.9Å; H537-Y609 AromaticContact CD2-CD2 3.88Å; H537-Y609 AromaticContact CD2-CG 3.9Å; H537-Y609 AromaticContact CG-CG 3.78Å; I540-Y609 HydrophobicContact CD1-CD1 3.52Å; I540-Y609 HydrophobicContact CD1-CE1 4.15Å; I540-Y609 HydrophobicContact CD1-CG 4.45Å; R605-Y609 PolarHBondContact O-N 2.6Å; R605-Y609 VanDerWaalsContact O-N 3.1Å; G606-Y609 PolarHBondContact O-N 3.26Å; M607-Y609 VanDerWaalsContact C-N 3.32Å; Y609-A611 VanDerWaalsContact C-N 3.31Å; Y609-A611 PolarHBondContact O-N 2.95Å; Y609-S612 WeakPolarHBondContact O-CB 3.41Å; Y609-S612 PolarHBondContact O-N 2.93Å; Y609-S612 VanDerWaalsContact O-N 3.07Å; Y609-S612 PolarHBondContact O-OG 3.15Å; Y609-Q613 HydrophobicContact CD1-CG 4.09Å; Y609-Q613 HydrophobicContact CE1-CG 3.73Å; Y609-Q613 HydrophobicContact CE2-CG 4.45Å; Y609-Q613 WeakPolarHBondContact O-CG 3.31Å; Y609-Q613 PolarHBondContact O-N 3.38Å
610L94.9Very high94.7Very high0 Ų028.8 Ų28.80%014%0.139CC..Hα-helixtrans-56.8-43.1176.3-74.4168.6000112.5I534 I540 G606 M607 S612 Q613 K614 C615 I635 F638I534-L610 HydrophobicContact CD1-CD2 3.74Å; I534-L610 HydrophobicContact CG1-CD2 3.91Å; I534-L610 HydrophobicContact CG2-CD2 3.74Å; I540-L610 HydrophobicContact CD1-CD1 4.33Å; I540-L610 HydrophobicContact CD1-CD2 3.84Å; I540-L610 HydrophobicContact CD1-CG 3.71Å; G606-L610 WeakPolarHBondContact O-CG 3.41Å; G606-L610 PolarHBondContact O-N 3.33Å; M607-L610 HydrophobicContact CE-CD1 4.34Å; M607-L610 PolarHBondContact O-N 3.17Å; M607-L610 HydrophobicContact SD-CD1 3.72Å; L610-S612 PolarHBondContact O-N 2.9Å; L610-Q613 CarbonylContact O-C 3.37Å; L610-Q613 PolarHBondContact O-N 2.68Å; L610-Q613 VanDerWaalsContact O-N 3.17Å; L610-K614 PolarHBondContact O-N 3.31Å; L610-C615 HydrophobicContact CB-CB 4.39Å; L610-C615 HydrophobicContact CD2-CB 4.03Å; L610-C615 PolarHBondContact O-N 3.43Å; L610-I635 HydrophobicContact CD1-CD1 4.19Å; L610-I635 HydrophobicContact CD1-CG2 4.27Å; L610-F638 HydrophobicContact CD1-CE1 3.91Å; L610-F638 HydrophobicContact CD1-CZ 4.37Å; L610-F638 HydrophobicContact CD2-CE1 3.73Å; L610-F638 HydrophobicContact CD2-CZ 4.21Å; L610-F638 HydrophobicContact CG-CE1 4.49Å
611A93.6Very high94.6Very high26 Ų2628.8 Ų28.822%0.21514%0.139CC..Hα-helixtrans-63.3-39.8175.400000112.1M607 E608 Y609 Q613 K614 F743M607-A611 WeakPolarHBondContact O-CB 3.49Å; M607-A611 PolarHBondContact O-N 3.36Å; E608-A611 PolarHBondContact O-N 3.19Å; Y609-A611 VanDerWaalsContact C-N 3.31Å; Y609-A611 PolarHBondContact O-N 2.95Å; A611-Q613 VanDerWaalsContact C-N 3.26Å; A611-Q613 PolarHBondContact O-N 3.27Å; A611-K614 WeakPolarHBondContact O-CA 3.2Å; A611-K614 PolarHBondContact O-N 2.88Å; A611-F743 HydrophobicContact CB-CD2 4.35Å
612S94.5Very high94.5Very high74 Ų7427 Ų2752%0.51713%0.132SC..Hα-helixtrans-62.5-32.3173.981.90000113E608 Y609 L610 K614E608-S612 PolarHBondContact O-N 3.15Å; Y609-S612 WeakPolarHBondContact O-CB 3.41Å; Y609-S612 PolarHBondContact O-N 2.93Å; Y609-S612 VanDerWaalsContact O-N 3.07Å; Y609-S612 PolarHBondContact O-OG 3.15Å; L610-S612 PolarHBondContact O-N 2.9Å; S612-K614 PolarHBondContact O-N 2.86Å
613Q92.1Very high94.2Very high83 Ų8329.6 Ų29.639%0.38814%0.14SC..THydrogen-bonded Turntrans-85.18.8174-56.2-47.2-63.900112.9Y609 L610 A611 C615Y609-Q613 HydrophobicContact CD1-CG 4.09Å; Y609-Q613 HydrophobicContact CE1-CG 3.73Å; Y609-Q613 HydrophobicContact CE2-CG 4.45Å; Y609-Q613 WeakPolarHBondContact O-CG 3.31Å; Y609-Q613 PolarHBondContact O-N 3.38Å; L610-Q613 CarbonylContact O-C 3.37Å; L610-Q613 PolarHBondContact O-N 2.68Å; L610-Q613 VanDerWaalsContact O-N 3.17Å; A611-Q613 VanDerWaalsContact C-N 3.26Å; A611-Q613 PolarHBondContact O-N 3.27Å; Q613-C615 PolarHBondContact O-N 3.17Å
614K88.4Confident94Very high103 Ų10330.2 Ų30.245%0.44814%0.144SC..THydrogen-bonded Turntrans55.633.7-178.3-49.8-176.3-176.7176.20113.5L610 A611 S612 D643 V644L610-K614 PolarHBondContact O-N 3.31Å; A611-K614 WeakPolarHBondContact O-CA 3.2Å; A611-K614 PolarHBondContact O-N 2.88Å; S612-K614 PolarHBondContact O-N 2.86Å; K614-D643 WeakPolarHBondContact O-CA 3.44Å; K614-V644 HydrophobicContact CB-CB 4.22Å; K614-V644 HydrophobicContact CB-CG2 4.12Å; K614-V644 WeakPolarHBondContact O-CG2 3.29Å; K614-V644 PolarHBondContact O-N 3.25Å
615C87.9Confident93.9Very high7 Ų730.2 Ų30.25%0.04714%0.144CC..EExtended strand (participates in β ladder)trans-100.3137.9174.9-171.80000110.3I534 L610 Q613 H675I534-C615 HydrophobicContact CG1-CB 4.29Å; L610-C615 HydrophobicContact CB-CB 4.39Å; L610-C615 HydrophobicContact CD2-CB 4.03Å; L610-C615 PolarHBondContact O-N 3.43Å; Q613-C615 PolarHBondContact O-N 3.17Å; C615-H675 PolarHBondContact O-CE1 2.96Å; C615-H675 VanDerWaalsContact O-CE1 3.25Å; C615-H675 PolarHBondContact O-ND1 3.15Å
616I88.6Confident93.8Very high5 Ų528.3 Ų28.33%0.02614%0.14CC..EExtended strand (participates in β ladder)trans-112.4124.9172-50.7169.5000107.2R618 A641 R642 V644 D678I616-R618 HydrophobicContact CB-CG 4.15Å; I616-R618 HydrophobicContact CG2-CG 3.54Å; I616-A641 CarbonylContact O-C 3.38Å; I616-A641 WeakPolarHBondContact O-CA 3.46Å; I616-A641 VanDerWaalsContact O-CB 3.3Å; I616-A641 WeakPolarHBondContact O-CB 3.2Å; I616-R642 PolarHBondContact N-O 2.78Å; I616-R642 PolarHBondContact O-N 3.28Å; I616-V644 HydrophobicContact CD1-CG2 3.87Å; I616-V644 HydrophobicContact CG1-CG2 3.71Å; I616-D678 VanDerWaalsContact CA-OD2 3.28Å; I616-D678 WeakPolarHBondContact CA-OD2 3.48Å; I616-D678 WeakPolarHBondContact CG2-OD2 3.26Å
617H91.6Very high93.8Very high0 Ų028.3 Ų28.30%014%0.14CC..  trans-75.8-41.9-174.8-164-77.7000112.9M607 D619 L620 I635 A636 F638 D678M607-H617 HydrophobicContact CE-CB 4.05Å; M607-H617 HydrophobicContact SD-CB 4.38Å; H617-D619 PolarHBondContact CE1-O 3.13Å; H617-D619 VanDerWaalsContact ND1-C 3.26Å; H617-D619 PolarHBondContact ND1-O 3.23Å; H617-D619 PolarHBondContact O-N 2.99Å; H617-L620 PolarHBondContact ND1-N 2.86Å; H617-I635 VanDerWaalsContact CD2-CG2 3.44Å; H617-I635 WeakPolarHBondContact CD2-CG2 3.44Å; H617-I635 VanDerWaalsContact NE2-CG2 3.29Å; H617-I635 WeakPolarHBondContact NE2-CG2 3.33Å; H617-A636 PolarHBondContact CE1-O 3.04Å; H617-A636 PolarHBondContact NE2-O 3.33Å; H617-F638 AromaticContact CD2-CD1 3.93Å; H617-F638 AromaticContact CD2-CE1 3.63Å; H617-F638 AromaticContact NE2-CE1 3.96Å; H617-D678 PolarHBondContact N-OD1 3.49Å; H617-D678 PolarHBondContact N-OD2 3.35Å
618R88Confident93.6Very high27 Ų2729 Ų2910%0.10214%0.144CC..SBendtrans64.9-14.5175.7-51.5176.865.6-147.713.4116.8I616 L640 Y673 D678I616-R618 HydrophobicContact CB-CG 4.15Å; I616-R618 HydrophobicContact CG2-CG 3.54Å; R618-L640 WeakPolarHBondContact CD-O 3.19Å; R618-L640 PolarHBondContact NH1-O 3.41Å; R618-Y673 HydrophobicContact CB-CD1 4.13Å; R618-Y673 HydrophobicContact CB-CE1 4.23Å; R618-Y673 HydrophobicContact CG-CD1 3.74Å; R618-Y673 HydrophobicContact CG-CE1 4.31Å; R618-Y673 HydrophobicContact CG-CG 4.36Å; R618-Y673 VanDerWaalsContact NE-CG 3.33Å; R618-Y673 VanDerWaalsContact NH2-CD2 3.34Å; R618-D678 PolarHBondContact N-OD1 2.99Å
619D89.6Confident93.4Very high15 Ų1531.6 Ų31.68%0.0816%0.156CC..  trans-134.653.4168.7-165.222.9000113.4H617 A621 R623 N624 L640 P659H617-D619 PolarHBondContact CE1-O 3.13Å; H617-D619 VanDerWaalsContact ND1-C 3.26Å; H617-D619 PolarHBondContact ND1-O 3.23Å; H617-D619 PolarHBondContact O-N 2.99Å; D619-A621 PolarHBondContact O-N 3.36Å; D619-R623 IonicContact OD1-CZ 2.8Å; D619-R623 IonicContact OD1-NH2 2.62Å; D619-R623 PolarHBondContact OD1-NH2 3.03Å; D619-R623 IonicContact OD2-CZ 3.7Å; D619-R623 IonicContact OD2-NH2 2.75Å; D619-R623 PolarHBondContact OD2-NH2 2.81Å; D619-N624 VanDerWaalsContact CG-ND2 3.35Å; D619-N624 PolarHBondContact O-ND2 3.41Å; D619-N624 PolarHBondContact OD2-ND2 3.1Å; D619-L640 HydrophobicContact CB-CD1 3.94Å; D619-P659 HydrophobicContact CB-CG 4.4Å; D619-P659 WeakPolarHBondContact OD1-CB 3.47Å; D619-P659 WeakPolarHBondContact OD1-CG 3.43Å
620L95.6Very high93.2Very high0 Ų035.7 Ų35.70%018%0.182CC..  trans-78.4116.5176.4-177.666.2000110.5V603 M607 H617 I635 W662 Y682 L685V603-L620 HydrophobicContact CG1-CD1 4.3Å; M607-L620 HydrophobicContact CE-CD2 4.11Å; M607-L620 HydrophobicContact CG-CD1 4.42Å; M607-L620 HydrophobicContact CG-CD2 3.78Å; M607-L620 HydrophobicContact SD-CD1 3.88Å; M607-L620 HydrophobicContact SD-CD2 3.72Å; M607-L620 HydrophobicContact SD-CG 4.34Å; H617-L620 PolarHBondContact ND1-N 2.86Å; L620-I635 HydrophobicContact CD1-CG2 4.39Å; L620-W662 VanDerWaalsContact O-CD1 3.29Å; L620-Y682 HydrophobicContact CD2-CD2 4.13Å; L620-Y682 HydrophobicContact CD2-CG 4.49Å; L620-L685 HydrophobicContact CD1-CD2 4.17Å; L620-L685 HydrophobicContact CD2-CD2 4.49Å; L620-L685 HydrophobicContact CG-CD2 4.19Å
621A95.6Very high93.2Very high0 Ų038.2 Ų38.20%020%0.195CC..SBendtrans-159161.6-178.400000111D619 R623 N624 V625 W662D619-A621 PolarHBondContact O-N 3.36Å; A621-R623 HydrophobicContact CB-CG 4.02Å; A621-R623 VanDerWaalsContact CB-NH1 3.27Å; A621-R623 PolarHBondContact O-N 3.49Å; A621-R623 VanDerWaalsContact O-N 3.09Å; A621-N624 PolarHBondContact O-N 3.32Å; A621-V625 PolarHBondContact O-N 3.28Å; A621-W662 HydrophobicContact CB-CD2 4.16Å; A621-W662 HydrophobicContact CB-CG 4.12Å; A621-W662 HydrophobicContact CB-CZ2 4.35Å; A621-W662 VanDerWaalsContact CB-NE1 3.33Å
622A96.4Very high93.4Very high0 Ų037.9 Ų37.90%019%0.19CC..G310 helixtrans-63.4-21-176.500000114L565 R566 N624 L685 E688L565-A622 WeakPolarHBondContact CB-O 3.33Å; L565-A622 PolarHBondContact N-O 3.27Å; R566-A622 HydrophobicContact CB-CB 3.94Å; R566-A622 PolarHBondContact N-O 2.9Å; A622-N624 VanDerWaalsContact C-N 3.32Å; A622-L685 HydrophobicContact CB-CD1 3.74Å; A622-E688 HydrophobicContact CB-CB 3.97Å; A622-E688 HydrophobicContact CB-CG 4.39Å; A622-E688 PolarHBondContact N-OE2 3.25Å
623R93.1Very high93.6Very high78 Ų7834.4 Ų34.429%0.29417%0.166SC..G310 helixtrans-72.9-21.9172.459.9169.8-164.2-73.7-2.6114N564 D619 A621N564-R623 WeakPolarHBondContact CB-O 2.96Å; D619-R623 IonicContact OD1-CZ 2.8Å; D619-R623 IonicContact OD1-NH2 2.62Å; D619-R623 PolarHBondContact OD1-NH2 3.03Å; D619-R623 IonicContact OD2-CZ 3.7Å; D619-R623 IonicContact OD2-NH2 2.75Å; D619-R623 PolarHBondContact OD2-NH2 2.81Å; A621-R623 HydrophobicContact CB-CG 4.02Å; A621-R623 VanDerWaalsContact CB-NH1 3.27Å; A621-R623 PolarHBondContact O-N 3.49Å; A621-R623 VanDerWaalsContact O-N 3.09Å
624N94.4Very high93.8Very high14 Ų1431.2 Ų31.28%0.07515%0.151CC..G310 helixtrans-106.411.5-177-65.2-3.4000111.8D619 A621 A622 A636 D637D619-N624 VanDerWaalsContact CG-ND2 3.35Å; D619-N624 PolarHBondContact O-ND2 3.41Å; D619-N624 PolarHBondContact OD2-ND2 3.1Å; A621-N624 PolarHBondContact O-N 3.32Å; A622-N624 VanDerWaalsContact C-N 3.32Å; N624-A636 PolarHBondContact O-N 3.46Å; N624-A636 VanDerWaalsContact O-O 3.12Å; N624-D637 HydrophobicContact CB-CB 4.43Å
625V97.4Very high94.3Very high0 Ų026.3 Ų26.30%013%0.13CC..EExtended strand (participates in β ladder)trans-108131.6166.1-179.30000107.4N564 L565 V603 A621 M633 K634 L685N564-V625 CarbonylContact C-O 3.59Å; N564-V625 VanDerWaalsContact CA-O 3.29Å; N564-V625 WeakPolarHBondContact CA-O 3.47Å; L565-V625 HydrophobicContact CB-CB 3.89Å; L565-V625 HydrophobicContact CB-CG1 4.09Å; L565-V625 HydrophobicContact CD2-CB 4Å; L565-V625 HydrophobicContact CD2-CG1 3.89Å; L565-V625 PolarHBondContact N-O 3.32Å; V603-V625 HydrophobicContact CG1-CG2 4.46Å; V603-V625 HydrophobicContact CG2-CG1 3.9Å; V603-V625 HydrophobicContact CG2-CG2 4.16Å; A621-V625 PolarHBondContact O-N 3.28Å; V625-M633 HydrophobicContact CG1-CB 4.08Å; V625-M633 HydrophobicContact CG1-SD 4.5Å; V625-K634 CarbonylContact C-O 3.6Å; V625-L685 HydrophobicContact CG2-CD2 4.27Å
626L96.4Very high94.4Very high46 Ų4626.3 Ų26.324%0.24113%0.13CC..EExtended strand (participates in β ladder)trans-105.3153.2178.3-62.2178000111.1I541 A560 G563 N564 K634 A636I541-L626 HydrophobicContact CD1-CD1 3.91Å; I541-L626 HydrophobicContact CG1-CD1 4.21Å; A560-L626 HydrophobicContact CB-CB 3.65Å; A560-L626 HydrophobicContact CB-CD1 4.22Å; A560-L626 HydrophobicContact CB-CG 4.46Å; G563-L626 CarbonylContact O-C 3.59Å; G563-L626 WeakPolarHBondContact O-CA 3.49Å; N564-L626 HydrophobicContact CB-CD2 4.19Å; L626-K634 PolarHBondContact N-O 3.12Å; L626-K634 PolarHBondContact O-N 2.95Å; L626-A636 HydrophobicContact CD1-CB 3.73Å; L626-A636 HydrophobicContact CG-CB 3.86Å
627V97.1Very high94.2Very high0 Ų028.8 Ų28.80%014%0.144CC..EExtended strand (participates in β ladder)trans-120.9122.6-177.5-171.50000110.2A560 K562 G563 L565 Y568 M633A560-V627 CarbonylContact C-O 3.53Å; K562-V627 HydrophobicContact CB-CB 4.03Å; K562-V627 HydrophobicContact CB-CG1 4.05Å; K562-V627 HydrophobicContact CD-CG1 4.45Å; K562-V627 PolarHBondContact N-O 2.93Å; G563-V627 PolarHBondContact O-N 2.98Å; L565-V627 HydrophobicContact CB-CG2 4.15Å; L565-V627 HydrophobicContact CD1-CG2 4.07Å; Y568-V627 HydrophobicContact CD1-CG2 4.24Å; Y568-V627 HydrophobicContact CD2-CB 4.17Å; Y568-V627 HydrophobicContact CD2-CG1 3.87Å; Y568-V627 HydrophobicContact CD2-CG2 4.25Å; Y568-V627 HydrophobicContact CE2-CG1 3.8Å; Y568-V627 HydrophobicContact CG-CB 4.35Å; Y568-V627 HydrophobicContact CG-CG1 4.31Å; Y568-V627 HydrophobicContact CG-CG2 3.93Å; V627-M633 HydrophobicContact CB-CE 4.45Å; V627-M633 HydrophobicContact CG1-CE 3.74Å; V627-M633 HydrophobicContact CG2-CE 3.98Å; V627-M633 HydrophobicContact CG2-SD 3.88Å
628T95.5Very high93.4Very high16 Ų1628.9 Ų28.910%0.09814%0.144CC..  trans-81.9175.3176.967.20000112.2A560 D630 N631 V632 K634A560-T628 HydrophobicContact CB-CG2 4.44Å; T628-D630 VanDerWaalsContact C-N 3.31Å; T628-D630 PolarHBondContact O-N 3.48Å; T628-N631 PolarHBondContact O-N 3.22Å; T628-N631 VanDerWaalsContact O-N 3.12Å; T628-V632 HydrophobicContact CG2-CB 4.42Å; T628-V632 PolarHBondContact N-O 2.74Å; T628-V632 VanDerWaalsContact OG1-CB 3.31Å; T628-V632 WeakPolarHBondContact OG1-CB 3.27Å; T628-V632 PolarHBondContact OG1-N 3.44Å; T628-V632 VanDerWaalsContact OG1-N 3.12Å; T628-V632 PolarHBondContact OG1-O 3.36Å; T628-K634 HydrophobicContact CG2-CD 3.72Å; T628-K634 HydrophobicContact CG2-CG 4.38Å
629E93.3Very high92.5Very high116 Ų11628.2 Ų28.254%0.54215%0.145SC..THydrogen-bonded Turntrans-55.6-46.9176.8-159.257.2-126.700111.9S561 K562 N631S561-E629 WeakPolarHBondContact CB-OE2 3.42Å; S561-E629 WeakPolarHBondContact OG-CA 3.36Å; S561-E629 WeakPolarHBondContact OG-CB 3.43Å; S561-E629 PolarHBondContact OG-N 3.3Å; S561-E629 VanDerWaalsContact OG-N 3.11Å; S561-E629 PolarHBondContact OG-OE2 3.46Å; K562-E629 WeakPolarHBondContact CE-O 3.32Å; K562-E629 WeakPolarHBondContact CE-OE1 3.43Å; K562-E629 PolarHBondContact NZ-O 2.93Å; E629-N631 PolarHBondContact O-N 3.31Å
630D93.4Very high91.3Very high139 Ų13929.1 Ų29.174%0.74315%0.15SC*.THydrogen-bonded Turntrans-77.221.3178.9-45.6-62000114.2T628 V632T628-D630 VanDerWaalsContact C-N 3.31Å; T628-D630 PolarHBondContact O-N 3.48Å; D630-V632 HydrophobicContact CB-CG2 4.32Å; D630-V632 PolarHBondContact O-N 3.09Å; D630-V632 VanDerWaalsContact O-N 3.14Å
631N94.6Very high90Very high54 Ų5429.1 Ų29.129%0.28915%0.15SC..  trans53.831-177.6-61.2-23.4000114.4K562 Y568 Q602 T628 E629 M633K562-N631 PolarHBondContact NZ-OD1 3.19Å; Y568-N631 PolarHBondContact OH-OD1 2.94Å; Q602-N631 PolarHBondContact NE2-O 2.79Å; T628-N631 PolarHBondContact O-N 3.22Å; T628-N631 VanDerWaalsContact O-N 3.12Å; E629-N631 PolarHBondContact O-N 3.31Å; N631-M633 VanDerWaalsContact O-CE 3.28Å; N631-M633 WeakPolarHBondContact O-CE 3.46Å
632V97.8Very high88.6Confident18 Ų1831.8 Ų31.811%0.10916%0.16CC..  trans-82.2124.6173.1-176.20000109.3K538 T628 D630 K634K538-V632 HydrophobicContact CG-CG1 3.98Å; T628-V632 HydrophobicContact CG2-CB 4.42Å; T628-V632 PolarHBondContact N-O 2.74Å; T628-V632 VanDerWaalsContact OG1-CB 3.31Å; T628-V632 WeakPolarHBondContact OG1-CB 3.27Å; T628-V632 PolarHBondContact OG1-N 3.44Å; T628-V632 VanDerWaalsContact OG1-N 3.12Å; T628-V632 PolarHBondContact OG1-O 3.36Å; D630-V632 HydrophobicContact CB-CG2 4.32Å; D630-V632 PolarHBondContact O-N 3.09Å; D630-V632 VanDerWaalsContact O-N 3.14Å; V632-K634 HydrophobicContact CG1-CG 4.5Å
633M98.3Very high87.1Confident1 Ų134.7 Ų34.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-77.3128.8174.9-55-61.3122.400110N539 L565 C599 Q602 V603 V625 V627 N631N539-M633 WeakPolarHBondContact CA-O 3.42Å; N539-M633 WeakPolarHBondContact CB-O 3.28Å; N539-M633 PolarHBondContact ND2-O 3.01Å; L565-M633 HydrophobicContact CD1-SD 3.71Å; L565-M633 HydrophobicContact CD2-SD 4.25Å; L565-M633 HydrophobicContact CG-SD 4.49Å; C599-M633 HydrophobicContact CB-CG 4.2Å; C599-M633 HydrophobicContact CB-SD 4.21Å; C599-M633 VanDerWaalsContact SG-CE 3.59Å; Q602-M633 HydrophobicContact CB-CB 3.89Å; Q602-M633 HydrophobicContact CB-CG 3.95Å; V603-M633 HydrophobicContact CG2-CB 3.9Å; V603-M633 HydrophobicContact CG2-CG 4.39Å; V625-M633 HydrophobicContact CG1-CB 4.08Å; V625-M633 HydrophobicContact CG1-SD 4.5Å; V627-M633 HydrophobicContact CB-CE 4.45Å; V627-M633 HydrophobicContact CG1-CE 3.74Å; V627-M633 HydrophobicContact CG2-CE 3.98Å; V627-M633 HydrophobicContact CG2-SD 3.88Å; N631-M633 VanDerWaalsContact O-CE 3.28Å; N631-M633 WeakPolarHBondContact O-CE 3.46Å
634K97.9Very high85.4Confident16 Ų1632.8 Ų32.87%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-128117.1179.1-74.8-178171.5-75.80111.5K538 I540 I541 E558 V625 L626 T628 V632K538-K634 PolarHBondContact O-NZ 2.86Å; I540-K634 PolarHBondContact O-NZ 3.15Å; I541-K634 HydrophobicContact CB-CB 4.49Å; I541-K634 HydrophobicContact CD1-CB 4.18Å; I541-K634 HydrophobicContact CD1-CD 3.8Å; E558-K634 IonicContact OE1-NZ 2.75Å; E558-K634 PolarHBondContact OE1-NZ 3.41Å; E558-K634 WeakPolarHBondContact OE2-CE 3.4Å; E558-K634 IonicContact OE2-NZ 3.26Å; E558-K634 PolarHBondContact OE2-NZ 2.87Å; V625-K634 CarbonylContact C-O 3.6Å; L626-K634 PolarHBondContact N-O 3.12Å; L626-K634 PolarHBondContact O-N 2.95Å; T628-K634 HydrophobicContact CG2-CD 3.72Å; T628-K634 HydrophobicContact CG2-CG 4.38Å; V632-K634 HydrophobicContact CG1-CG 4.5Å
635I97.1Very high83.2Confident0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-66.5136.1173.7-57.9160.8000109.4N539 I541 V603 G606 M607 L610 H617 L620 F638N539-I635 PolarHBondContact O-N 2.94Å; I541-I635 PolarHBondContact N-O 3.35Å; V603-I635 HydrophobicContact CG1-CD1 4.08Å; V603-I635 HydrophobicContact CG1-CG1 3.98Å; G606-I635 VanDerWaalsContact C-CD1 3.44Å; M607-I635 HydrophobicContact CG-CD1 3.81Å; M607-I635 HydrophobicContact SD-CD1 3.74Å; L610-I635 HydrophobicContact CD1-CD1 4.19Å; L610-I635 HydrophobicContact CD1-CG2 4.27Å; H617-I635 VanDerWaalsContact CD2-CG2 3.44Å; H617-I635 WeakPolarHBondContact CD2-CG2 3.44Å; H617-I635 VanDerWaalsContact NE2-CG2 3.29Å; H617-I635 WeakPolarHBondContact NE2-CG2 3.33Å; L620-I635 HydrophobicContact CD1-CG2 4.39Å; I635-F638 HydrophobicContact CG2-CZ 4.28Å
636A91.6Very high81Confident8 Ų844.7 Ų44.77%0.06623%0.231CC..  trans-144.5175.2-173.300000112.3I541 H617 N624 L626I541-A636 HydrophobicContact CB-CB 4.1Å; I541-A636 HydrophobicContact CG2-CB 3.68Å; H617-A636 PolarHBondContact CE1-O 3.04Å; H617-A636 PolarHBondContact NE2-O 3.33Å; N624-A636 PolarHBondContact O-N 3.46Å; N624-A636 VanDerWaalsContact O-O 3.12Å; L626-A636 HydrophobicContact CD1-CB 3.73Å; L626-A636 HydrophobicContact CG-CB 3.86Å
637D82.8Confident78.9Confident57 Ų5747.6 Ų47.631%0.30525%0.246SC..  trans64.569.3-179.3-155.828.8000114.1K510 N624 G639K510-D637 IonicContact NZ-OD1 3.77Å; K510-D637 PolarHBondContact NZ-OD1 2.63Å; N624-D637 HydrophobicContact CB-CB 4.43Å; D637-G639 PolarHBondContact O-N 3.3Å
638F76.8Confident75.9Confident1 Ų154.3 Ų54.30%0.00428%0.282CS..G310 helixtrans-81.48.2-178.3-67.2-77.9000114E527 M530 M531 I534 I540 I541 L610 H617 I635 L640 A641E527-F638 HydrophobicContact CG-CB 3.95Å; E527-F638 PolarHBondContact OE1-N 3.12Å; M530-F638 HydrophobicContact CG-CB 4.46Å; M531-F638 HydrophobicContact CG-CD2 3.84Å; M531-F638 HydrophobicContact CG-CG 4.45Å; M531-F638 HydrophobicContact SD-CD2 4.33Å; I534-F638 HydrophobicContact CD1-CD1 3.71Å; I534-F638 HydrophobicContact CD1-CE1 3.69Å; I534-F638 HydrophobicContact CD1-CG 4.16Å; I534-F638 HydrophobicContact CD1-CZ 4.12Å; I540-F638 HydrophobicContact CG2-CE2 3.85Å; I540-F638 HydrophobicContact CG2-CZ 3.68Å; I541-F638 HydrophobicContact CG2-CE2 4.26Å; L610-F638 HydrophobicContact CD1-CE1 3.91Å; L610-F638 HydrophobicContact CD1-CZ 4.37Å; L610-F638 HydrophobicContact CD2-CE1 3.73Å; L610-F638 HydrophobicContact CD2-CZ 4.21Å; L610-F638 HydrophobicContact CG-CE1 4.49Å; H617-F638 AromaticContact CD2-CD1 3.93Å; H617-F638 AromaticContact CD2-CE1 3.63Å; H617-F638 AromaticContact NE2-CE1 3.96Å; I635-F638 HydrophobicContact CG2-CZ 4.28Å; F638-L640 PolarHBondContact O-N 3.49Å; F638-A641 HydrophobicContact CB-CB 4.15Å; F638-A641 HydrophobicContact CD1-CB 3.9Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.09Å
639G67.2Low73.1Confident13 Ų1361.3 Ų61.313%0.13431%0.307CS..G310 helixtrans-58.1-24.9-175.800000115.1D637D637-G639 PolarHBondContact O-N 3.3Å
640L65.3Low70.5Confident35 Ų3559.1 Ų59.118%0.18329%0.294CS..G310 helixtrans-101.4-8.3175.4-66.6177.4000114.5R618 D619 F638R618-L640 WeakPolarHBondContact CD-O 3.19Å; R618-L640 PolarHBondContact NH1-O 3.41Å; D619-L640 HydrophobicContact CB-CD1 3.94Å; F638-L640 PolarHBondContact O-N 3.49Å
641A67.8Low67.8Low0 Ų059 Ų590%029%0.287CS..  trans-71.9153.8-17400000112M530 I616 F638M530-A641 HydrophobicContact SD-CB 3.46Å; M530-A641 WeakPolarHBondContact SD-CB 3.2Å; I616-A641 CarbonylContact O-C 3.38Å; I616-A641 WeakPolarHBondContact O-CA 3.46Å; I616-A641 VanDerWaalsContact O-CB 3.3Å; I616-A641 WeakPolarHBondContact O-CB 3.2Å; F638-A641 HydrophobicContact CB-CB 4.15Å; F638-A641 HydrophobicContact CD1-CB 3.9Å; F638-A641 WeakPolarHBondContact O-CB 3.33Å; F638-A641 PolarHBondContact O-N 3.09Å
642R67.5Low65Low56 Ų5658.6 Ų58.621%0.21128%0.283CS..EExtended strand (participates in β ladder)trans-148.3154.8-177.1-66.3-61.9178.7-102.811.7112.7I616I616-R642 PolarHBondContact N-O 2.78Å; I616-R642 PolarHBondContact O-N 3.28Å
643D63.7Low62Low61 Ų6163.3 Ų63.333%0.32631%0.312SS..EExtended strand (participates in β ladder)trans-71.7136.4168.1-172.4-40.2000110.2K614 H645 N646K614-D643 WeakPolarHBondContact O-CA 3.44Å; D643-H645 PolarHBondContact O-N 3.23Å; D643-H645 IonicContact OD1-CD2 3.65Å; D643-H645 IonicContact OD1-CG 3.46Å; D643-H645 PolarHBondContact OD1-N 2.89Å; D643-N646 HydrophobicContact CB-CB 4.3Å; D643-N646 PolarHBondContact O-N 3.37Å
644V57.9Low58.8Low38 Ų3866 Ų6623%0.2333%0.329CS..THydrogen-bonded Turntrans-58.5-25.3177175.80000113.3K614 I616 N646 I647 H675K614-V644 HydrophobicContact CB-CB 4.22Å; K614-V644 HydrophobicContact CB-CG2 4.12Å; K614-V644 WeakPolarHBondContact O-CG2 3.29Å; K614-V644 PolarHBondContact O-N 3.25Å; I616-V644 HydrophobicContact CD1-CG2 3.87Å; I616-V644 HydrophobicContact CG1-CG2 3.71Å; V644-N646 VanDerWaalsContact C-N 3.3Å; V644-I647 VanDerWaalsContact O-CD1 3.3Å; V644-I647 WeakPolarHBondContact O-CD1 3.24Å; V644-I647 WeakPolarHBondContact O-CG1 3.46Å; V644-H675 WeakPolarHBondContact CG2-CE1 3.33Å; V644-H675 VanDerWaalsContact CG2-NE2 3.29Å; V644-H675 WeakPolarHBondContact CG2-NE2 3.44Å
645H48.7Very low55.8Low163 Ų16373.7 Ų73.776%0.75537%0.371SS*.THydrogen-bonded Turntrans-83.3-8.6176.3-67.5-68.5000113.4D643D643-H645 PolarHBondContact O-N 3.23Å; D643-H645 IonicContact OD1-CD2 3.65Å; D643-H645 IonicContact OD1-CG 3.46Å; D643-H645 PolarHBondContact OD1-N 2.89Å
646N50.9Low53.1Low100 Ų10074.8 Ų74.854%0.53538%0.382SS..  trans-111.344.2-176.5-150.412.6000111.3D643 V644 D648D643-N646 HydrophobicContact CB-CB 4.3Å; D643-N646 PolarHBondContact O-N 3.37Å; V644-N646 VanDerWaalsContact C-N 3.3Å; N646-D648 PolarHBondContact O-N 3.44Å
647I50.9Low51.2Low108 Ų10886.1 Ų86.155%0.55442%0.423SS*.  trans-77.534.3177.3-27.3-176.2000112.1V644 Y649V644-I647 VanDerWaalsContact O-CD1 3.3Å; V644-I647 WeakPolarHBondContact O-CD1 3.24Å; V644-I647 WeakPolarHBondContact O-CG1 3.46Å; I647-Y649 VanDerWaalsContact C-N 3.27Å; I647-Y649 PolarHBondContact O-N 2.74Å
648D35.4Very low50.3Low141 Ų14187.4 Ų87.475%0.75443%0.43SS*.  trans-68.390171.3-87-12.9000109.3N646 Y650N646-D648 PolarHBondContact O-N 3.44Å; D648-Y650 PolarHBondContact O-N 2.87Å
649Y37.3Very low50.5Low162 Ų16288 Ų8864%0.63543%0.433SS*.  trans1473.4165.4-159.6-94.8000115.3I647 K651I647-Y649 VanDerWaalsContact C-N 3.27Å; I647-Y649 PolarHBondContact O-N 2.74Å; Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 HydrophobicContact CD1-CB 4.4Å; Y649-K651 HydrophobicContact CE1-CB 4.41Å; Y649-K651 HydrophobicContact CE1-CD 4.38Å; Y649-K651 HydrophobicContact CE1-CG 4.27Å; Y649-K651 PolarHBondContact O-N 2.92Å
650Y38Very low51.3Low70 Ų7088.3 Ų88.328%0.27543%0.433SS..  trans-68.191.5176.4-176.6-100.4000111D648 K652D648-Y650 PolarHBondContact O-N 2.87Å; Y650-K652 HydrophobicContact CD1-CB 4.24Å; Y650-K652 HydrophobicContact CE1-CB 3.54Å; Y650-K652 HydrophobicContact CE1-CD 4.39Å; Y650-K652 HydrophobicContact CE1-CG 3.79Å; Y650-K652 PolarHBondContact O-N 3.43Å
651K36.5Very low52.5Low137 Ų13788 Ų8860%0.59643%0.43SS*.  trans-74.7105.8163-142.8176.1-172.6178.90106.4Y649 T653Y649-K651 VanDerWaalsContact C-N 3.32Å; Y649-K651 HydrophobicContact CD1-CB 4.4Å; Y649-K651 HydrophobicContact CE1-CB 4.41Å; Y649-K651 HydrophobicContact CE1-CD 4.38Å; Y649-K651 HydrophobicContact CE1-CG 4.27Å; Y649-K651 PolarHBondContact O-N 2.92Å; K651-T653 PolarHBondContact O-N 2.93Å
652K35.2Very low53.7Low45 Ų4589.4 Ų89.420%0.19644%0.435CS..  trans-62.4103.8173.9-165.3170.8-171.3-179.80108.6Y650 T654 G656 R657 L658Y650-K652 HydrophobicContact CD1-CB 4.24Å; Y650-K652 HydrophobicContact CE1-CB 3.54Å; Y650-K652 HydrophobicContact CE1-CD 4.39Å; Y650-K652 HydrophobicContact CE1-CG 3.79Å; Y650-K652 PolarHBondContact O-N 3.43Å; K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 2.73Å; K652-G656 VanDerWaalsContact CE-O 3.27Å; K652-G656 WeakPolarHBondContact CE-O 3.41Å; K652-G656 PolarHBondContact NZ-O 2.85Å; K652-R657 PolarHBondContact NZ-O 3.12Å; K652-L658 HydrophobicContact CD-CD2 3.74Å; K652-L658 HydrophobicContact CD-CG 4.2Å
653T34.4Very low54.7Low117 Ų11787.1 Ų87.172%0.71843%0.427SS*.  trans-83.71.7-175.943.90000114.2K651K651-T653 PolarHBondContact O-N 2.93Å
654T32.7Very low56Low58 Ų5884.2 Ų84.236%0.35641%0.412SS..SBendtrans-126.6152.2-179.850.50000113.4K519 K652 G656K519-T654 HydrophobicContact CD-CG2 3.49Å; K519-T654 VanDerWaalsContact CD-CG2 3.49Å; K519-T654 PolarHBondContact NZ-OG1 2.92Å; K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 2.73Å; T654-G656 PolarHBondContact O-N 3.09Å
655N34.1Very low57.5Low178 Ų17883.3 Ų83.395%0.95241%0.407SS*.  trans-63.913-178.2-60.1-31.3000115.1R657N655-R657 PolarHBondContact O-N 3.08Å
656G40.3Very low59.2Low23 Ų2376.3 Ų76.324%0.23737%0.374CS..PPolyproline II helixtrans-69.8126.2179.700000111.1K652 T654 L658K652-G656 VanDerWaalsContact CE-O 3.27Å; K652-G656 WeakPolarHBondContact CE-O 3.41Å; K652-G656 PolarHBondContact NZ-O 2.85Å; T654-G656 PolarHBondContact O-N 3.09Å; G656-L658 PolarHBondContact O-N 3.4Å
657R51.4Low60.8Low245 Ų24571.8 Ų71.893%0.92535%0.35SS*.PPolyproline II helixtrans-48.2134.6178.8-64.3175.9179.2164.60.2110.9K652 N655K652-R657 PolarHBondContact NZ-O 3.12Å; N655-R657 PolarHBondContact O-N 3.08Å
658L64.4Low62.1Low85 Ų8568 Ų6845%0.44533%0.331SS..PPolyproline II helixtrans-88147.5169.8-77.1171.3000109.1K652 G656 V660 M663K652-L658 HydrophobicContact CD-CD2 3.74Å; K652-L658 HydrophobicContact CD-CG 4.2Å; G656-L658 PolarHBondContact O-N 3.4Å; L658-V660 HydrophobicContact CB-CG2 4.07Å; L658-V660 PolarHBondContact O-N 3.3Å; L658-M663 HydrophobicContact CB-SD 3.99Å; L658-M663 HydrophobicContact CD2-SD 4.43Å
659P80.5Confident63.9Low13 Ų1364.4 Ų64.48%0.08431%0.309CS..  trans-78.754.1179.736.4-38.9000111.1D619 K661 W662 M663D619-P659 HydrophobicContact CB-CG 4.4Å; D619-P659 WeakPolarHBondContact OD1-CB 3.47Å; D619-P659 WeakPolarHBondContact OD1-CG 3.43Å; P659-K661 PolarHBondContact O-N 3.35Å; P659-W662 HydrophobicContact CB-CE3 4.23Å; P659-W662 PolarHBondContact O-N 3.34Å; P659-M663 HydrophobicContact CG-CG 4.07Å; P659-M663 HydrophobicContact CG-SD 4.37Å; P659-M663 PolarHBondContact O-N 2.9Å
660V83.6Confident65.6Low20 Ų2061.9 Ų61.912%0.12131%0.307CS..G310 helixtrans-50.4-38.3-165175.70000113.6L658 W662 M663 L668 V702 F706L658-V660 HydrophobicContact CB-CG2 4.07Å; L658-V660 PolarHBondContact O-N 3.3Å; V660-W662 PolarHBondContact O-N 3.06Å; V660-M663 PolarHBondContact O-N 2.73Å; V660-L668 HydrophobicContact CB-CD2 4.39Å; V660-L668 HydrophobicContact CG1-CD2 3.78Å; V660-L668 HydrophobicContact CG2-CD2 4.39Å; V660-V702 HydrophobicContact CB-CG1 3.65Å; V660-V702 HydrophobicContact CG1-CG1 3.55Å; V660-V702 HydrophobicContact CG2-CG1 3.93Å; V660-F706 HydrophobicContact CG1-CE1 4.19Å; V660-F706 HydrophobicContact CG1-CE2 4.17Å; V660-F706 HydrophobicContact CG1-CZ 3.77Å; V660-F706 HydrophobicContact CG2-CZ 4.37Å
661K90.4Very high67.3Low29 Ų2965 Ų6513%0.12632%0.318CS..G310 helixtrans-67-15.7179-61.5-157.8164.8-167.20115.2P659 P696 Y697 I700 V702 L705P659-K661 PolarHBondContact O-N 3.35Å; K661-P696 HydrophobicContact CB-CB 4.27Å; K661-P696 WeakPolarHBondContact CD-O 3.3Å; K661-P696 PolarHBondContact NZ-O 3.02Å; K661-Y697 HydrophobicContact CB-CD2 4.21Å; K661-Y697 HydrophobicContact CD-CD2 4.41Å; K661-Y697 HydrophobicContact CG-CD2 4.49Å; K661-Y697 PolarHBondContact NZ-O 3.34Å; K661-Y697 WeakPolarHBondContact O-CE2 3.43Å; K661-I700 WeakPolarHBondContact CE-O 3.44Å; K661-I700 PolarHBondContact NZ-O 3.32Å; K661-V702 HydrophobicContact CG-CG2 4.36Å; K661-L705 HydrophobicContact CB-CD2 4.3Å; K661-L705 HydrophobicContact CG-CD2 3.83Å
662W94.3Very high69.2Low28 Ų2861.9 Ų61.911%0.10631%0.31CS..G310 helixtrans-103.4-14.4175.6-68.2-101.6000112.7L620 A621 P659 V660 W680 S681 V684 E688 P696L620-W662 VanDerWaalsContact O-CD1 3.29Å; A621-W662 HydrophobicContact CB-CD2 4.16Å; A621-W662 HydrophobicContact CB-CG 4.12Å; A621-W662 HydrophobicContact CB-CZ2 4.35Å; A621-W662 VanDerWaalsContact CB-NE1 3.33Å; P659-W662 HydrophobicContact CB-CE3 4.23Å; P659-W662 PolarHBondContact O-N 3.34Å; V660-W662 PolarHBondContact O-N 3.06Å; W662-W680 VanDerWaalsContact O-CD1 3.3Å; W662-S681 WeakPolarHBondContact O-CA 3.48Å; W662-S681 PolarHBondContact O-OG 2.92Å; W662-V684 VanDerWaalsContact CD1-CG1 3.41Å; W662-V684 HydrophobicContact CD2-CG1 4.35Å; W662-V684 HydrophobicContact CG-CB 4.43Å; W662-V684 HydrophobicContact CG-CG1 3.91Å; W662-E688 WeakPolarHBondContact CZ2-OE1 3.49Å; W662-E688 PolarHBondContact NE1-OE2 3.42Å; W662-P696 HydrophobicContact CH2-CG 4.25Å; W662-P696 HydrophobicContact CZ2-CG 3.67Å
663M88.8Confident71.4Confident8 Ų861.3 Ų61.34%0.03931%0.307CS..  trans-76.7141-174.2-67.1176.457.200112.4L658 P659 V660 A667 L668 Y673 W680L658-M663 HydrophobicContact CB-SD 3.99Å; L658-M663 HydrophobicContact CD2-SD 4.43Å; P659-M663 HydrophobicContact CG-CG 4.07Å; P659-M663 HydrophobicContact CG-SD 4.37Å; P659-M663 PolarHBondContact O-N 2.9Å; V660-M663 PolarHBondContact O-N 2.73Å; M663-A667 HydrophobicContact CE-CB 4.26Å; M663-A667 WeakPolarHBondContact CE-O 3.36Å; M663-L668 HydrophobicContact CB-CD1 4.07Å; M663-L668 HydrophobicContact CB-CD2 3.75Å; M663-L668 HydrophobicContact CB-CG 3.62Å; M663-L668 HydrophobicContact CE-CD2 3.61Å; M663-L668 HydrophobicContact CE-CG 4.03Å; M663-L668 HydrophobicContact CG-CD2 4.36Å; M663-L668 WeakPolarHBondContact O-CD1 3.32Å; M663-L668 HydrophobicContact SD-CD2 3.78Å; M663-Y673 WeakPolarHBondContact CE-OH 3.09Å; M663-W680 PolarHBondContact O-NE1 3.14Å; M663-W680 VanDerWaalsContact O-NE1 3.1Å
664A91.1Very high73.9Confident1 Ų158 Ų581%0.00829%0.287CS..  trans-69.7154.217400000112.5E666 A667 L668 W680A664-E666 VanDerWaalsContact C-N 3.35Å; A664-E666 VanDerWaalsContact CB-CD 3.49Å; A664-E666 WeakPolarHBondContact CB-OE1 3.2Å; A664-E666 WeakPolarHBondContact CB-OE2 3.48Å; A664-E666 PolarHBondContact O-N 3.41Å; A664-A667 HydrophobicContact CB-CB 4.31Å; A664-A667 WeakPolarHBondContact O-CB 3.49Å; A664-A667 PolarHBondContact O-N 3.06Å; A664-L668 WeakPolarHBondContact O-CG 3.4Å; A664-L668 PolarHBondContact O-N 2.79Å; A664-W680 HydrophobicContact CB-CB 3.7Å; A664-W680 HydrophobicContact CB-CD2 4.15Å; A664-W680 HydrophobicContact CB-CG 3.71Å
665P88.4Confident76.7Confident19 Ų1957.4 Ų57.412%0.12328%0.28CS..Hα-helixtrans-53.3-46.1178.1-28.736.4000113.6A667 L668 F669 W680P665-A667 VanDerWaalsContact C-N 3.27Å; P665-A667 PolarHBondContact O-N 3.1Å; P665-L668 PolarHBondContact O-N 3.15Å; P665-L668 VanDerWaalsContact O-N 3.15Å; P665-F669 HydrophobicContact CB-CD2 4.07Å; P665-F669 HydrophobicContact CB-CE2 4.01Å; P665-F669 WeakPolarHBondContact O-CB 3.45Å; P665-F669 WeakPolarHBondContact O-CD2 3.5Å; P665-F669 PolarHBondContact O-N 3.26Å; P665-W680 VanDerWaalsContact CD-CE3 3.44Å; P665-W680 HydrophobicContact CG-CE3 4.17Å; P665-W680 HydrophobicContact CG-CH2 3.54Å; P665-W680 HydrophobicContact CG-CZ2 4.09Å; P665-W680 HydrophobicContact CG-CZ3 3.57Å
666E85.2Confident79.6Confident16 Ų1650.6 Ų50.68%0.07524%0.242CC..Hα-helixtrans-67-27.9179.273-73.6176.900112.8A664 D670 R671 V672 S677 P737 R740A664-E666 VanDerWaalsContact C-N 3.35Å; A664-E666 VanDerWaalsContact CB-CD 3.49Å; A664-E666 WeakPolarHBondContact CB-OE1 3.2Å; A664-E666 WeakPolarHBondContact CB-OE2 3.48Å; A664-E666 PolarHBondContact O-N 3.41Å; E666-D670 CarbonylContact O-C 3.48Å; E666-D670 WeakPolarHBondContact O-CA 3.08Å; E666-D670 WeakPolarHBondContact O-CB 3.39Å; E666-D670 PolarHBondContact O-N 3.17Å; E666-D670 VanDerWaalsContact O-N 3.12Å; E666-R671 PolarHBondContact O-N 2.94Å; E666-V672 CarbonylContact C-O 3.51Å; E666-V672 HydrophobicContact CB-CB 4.45Å; E666-V672 HydrophobicContact CG-CB 4.4Å; E666-V672 PolarHBondContact O-N 3.2Å; E666-S677 WeakPolarHBondContact OE1-CA 3.48Å; E666-S677 VanDerWaalsContact OE1-CB 3.3Å; E666-S677 WeakPolarHBondContact OE1-CB 3.48Å; E666-S677 PolarHBondContact OE1-OG 3.33Å; E666-P737 HydrophobicContact CG-CG 4.01Å; E666-R740 IonicContact OE1-CZ 2.77Å; E666-R740 IonicContact OE1-NH1 3.32Å; E666-R740 PolarHBondContact OE1-NH1 3.32Å; E666-R740 IonicContact OE1-NH2 3.15Å; E666-R740 IonicContact OE2-CZ 2.72Å; E666-R740 IonicContact OE2-NH1 3.49Å; E666-R740 PolarHBondContact OE2-NH1 3.22Å; E666-R740 IonicContact OE2-NH2 2.75Å; E666-R740 PolarHBondContact OE2-NH2 3.5Å
667A84.2Confident82.2Confident4 Ų449.6 Ų49.63%0.03323%0.232CC..Hα-helixtrans-78-29.2174.400000112.5M663 A664 P665 V672 Y673M663-A667 HydrophobicContact CE-CB 4.26Å; M663-A667 WeakPolarHBondContact CE-O 3.36Å; A664-A667 HydrophobicContact CB-CB 4.31Å; A664-A667 WeakPolarHBondContact O-CB 3.49Å; A664-A667 PolarHBondContact O-N 3.06Å; P665-A667 VanDerWaalsContact C-N 3.27Å; P665-A667 PolarHBondContact O-N 3.1Å; A667-V672 WeakPolarHBondContact CA-O 3.22Å; A667-V672 WeakPolarHBondContact CB-O 3.44Å; A667-V672 PolarHBondContact N-O 3.32Å; A667-Y673 HydrophobicContact CB-CD1 3.94Å; A667-Y673 HydrophobicContact CB-CE1 3.69Å; A667-Y673 HydrophobicContact CB-CE2 4.32Å; A667-Y673 HydrophobicContact CB-CG 4.39Å
668L77.4Confident84.3Confident28 Ų2838 Ų3815%0.14719%0.188CC..Hα-helixtrans-80.2-47.1177.2-75167000112.8V660 M663 A664 P665 F706 L709V660-L668 HydrophobicContact CB-CD2 4.39Å; V660-L668 HydrophobicContact CG1-CD2 3.78Å; V660-L668 HydrophobicContact CG2-CD2 4.39Å; M663-L668 HydrophobicContact CB-CD1 4.07Å; M663-L668 HydrophobicContact CB-CD2 3.75Å; M663-L668 HydrophobicContact CB-CG 3.62Å; M663-L668 HydrophobicContact CE-CD2 3.61Å; M663-L668 HydrophobicContact CE-CG 4.03Å; M663-L668 HydrophobicContact CG-CD2 4.36Å; M663-L668 WeakPolarHBondContact O-CD1 3.32Å; M663-L668 HydrophobicContact SD-CD2 3.78Å; A664-L668 WeakPolarHBondContact O-CG 3.4Å; A664-L668 PolarHBondContact O-N 2.79Å; P665-L668 PolarHBondContact O-N 3.15Å; P665-L668 VanDerWaalsContact O-N 3.15Å; L668-F706 HydrophobicContact CD2-CE1 3.84Å; L668-F706 HydrophobicContact CD2-CZ 4.47Å; L668-L709 HydrophobicContact CD1-CD1 3.98Å
669F74.4Confident86Confident66 Ų6634 Ų3429%0.28917%0.167SC..Hα-helixtrans-92.3-50-172.1-56.2-53.4000111.9P665 F706 K710P665-F669 HydrophobicContact CB-CD2 4.07Å; P665-F669 HydrophobicContact CB-CE2 4.01Å; P665-F669 WeakPolarHBondContact O-CB 3.45Å; P665-F669 WeakPolarHBondContact O-CD2 3.5Å; P665-F669 PolarHBondContact O-N 3.26Å; F669-F706 HydrophobicContact CE1-CB 4.39Å; F669-F706 AromaticContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CZ-CD1 4.43Å; F669-K710 HydrophobicContact CE1-CD 4.34Å; F669-K710 VanDerWaalsContact CE1-CE 3.4Å; F669-K710 HydrophobicContact CE1-CG 4.35Å; F669-K710 HydrophobicContact CE2-CG 3.82Å; F669-K710 HydrophobicContact CZ-CD 4.14Å; F669-K710 HydrophobicContact CZ-CG 3.65Å
670D71.9Confident86.8Confident110 Ų11033.4 Ų33.459%0.58816%0.163SC*.THydrogen-bonded Turntrans-97.9-7.5-171.1-45.3-51.9000112.5E666 V672E666-D670 CarbonylContact O-C 3.48Å; E666-D670 WeakPolarHBondContact O-CA 3.08Å; E666-D670 WeakPolarHBondContact O-CB 3.39Å; E666-D670 PolarHBondContact O-N 3.17Å; E666-D670 VanDerWaalsContact O-N 3.12Å; D670-V672 HydrophobicContact CB-CG2 3.98Å; D670-V672 PolarHBondContact O-N 2.99Å
671R73.2Confident87.5Confident134 Ų13432.7 Ų32.751%0.50616%0.159SC..  trans60.121.3-175-52.7-178.1177.3-145.6-4.8113.9E666 Y673E666-R671 PolarHBondContact O-N 2.94Å; R671-Y673 WeakPolarHBondContact O-CD2 3.46Å
672V76.3Confident87.9Confident72 Ų7231.3 Ų31.344%0.43615%0.153SC..  trans-84.6129.3177.8178.70000109E666 A667 D670 T674E666-V672 CarbonylContact C-O 3.51Å; E666-V672 HydrophobicContact CB-CB 4.45Å; E666-V672 HydrophobicContact CG-CB 4.4Å; E666-V672 PolarHBondContact O-N 3.2Å; A667-V672 WeakPolarHBondContact CA-O 3.22Å; A667-V672 WeakPolarHBondContact CB-O 3.44Å; A667-V672 PolarHBondContact N-O 3.32Å; D670-V672 HydrophobicContact CB-CG2 3.98Å; D670-V672 PolarHBondContact O-N 2.99Å; V672-T674 HydrophobicContact CG1-CG2 4.11Å
673Y82.1Confident88.1Confident33 Ų3330 Ų3013%0.12915%0.148CC..  trans-121.3129.8175.8-69.2-97.4000109.4R618 M663 A667 R671R618-Y673 HydrophobicContact CB-CD1 4.13Å; R618-Y673 HydrophobicContact CB-CE1 4.23Å; R618-Y673 HydrophobicContact CG-CD1 3.74Å; R618-Y673 HydrophobicContact CG-CE1 4.31Å; R618-Y673 HydrophobicContact CG-CG 4.36Å; R618-Y673 VanDerWaalsContact NE-CG 3.33Å; R618-Y673 VanDerWaalsContact NH2-CD2 3.34Å; M663-Y673 WeakPolarHBondContact CE-OH 3.09Å; A667-Y673 HydrophobicContact CB-CD1 3.94Å; A667-Y673 HydrophobicContact CB-CE1 3.69Å; A667-Y673 HydrophobicContact CB-CE2 4.32Å; A667-Y673 HydrophobicContact CB-CG 4.39Å; R671-Y673 WeakPolarHBondContact O-CD2 3.46Å
674T87.8Confident88.6Confident49 Ų4929.6 Ų29.630%0.30115%0.146SC..  trans-141172.3177.5650000109.6V672 Q676 S677 D678V672-T674 HydrophobicContact CG1-CG2 4.11Å; T674-Q676 PolarHBondContact O-N 3.39Å; T674-Q676 PolarHBondContact OG1-N 3.15Å; T674-S677 PolarHBondContact N-OG 3.16Å; T674-S677 WeakPolarHBondContact O-CA 3.26Å; T674-S677 VanDerWaalsContact O-CB 3.24Å; T674-S677 WeakPolarHBondContact O-CB 3.45Å; T674-S677 PolarHBondContact O-N 2.75Å; T674-S677 PolarHBondContact O-OG 3.06Å; T674-S677 PolarHBondContact OG1-N 2.97Å; T674-S677 PolarHBondContact OG1-OG 3.2Å; T674-D678 PolarHBondContact O-N 3.09Å
675H91Very high88.9Confident45 Ų4529.6 Ų29.621%0.20815%0.146CC..Hα-helixtrans-55.2-33.2168-56.7-53.3000112.5C615 V644 S677 D678 V679C615-H675 PolarHBondContact O-CE1 2.96Å; C615-H675 VanDerWaalsContact O-CE1 3.25Å; C615-H675 PolarHBondContact O-ND1 3.15Å; V644-H675 WeakPolarHBondContact CG2-CE1 3.33Å; V644-H675 VanDerWaalsContact CG2-NE2 3.29Å; V644-H675 WeakPolarHBondContact CG2-NE2 3.44Å; H675-S677 PolarHBondContact O-N 3.11Å; H675-D678 WeakPolarHBondContact O-CB 3.44Å; H675-D678 PolarHBondContact O-N 3.5Å; H675-D678 VanDerWaalsContact O-N 3.12Å; H675-V679 WeakPolarHBondContact O-CG2 3.42Å; H675-V679 PolarHBondContact O-N 3.24Å
676Q95.8Very high89.4Confident35 Ų3528.7 Ų28.716%0.16414%0.14CC..Hα-helixtrans-68.8-21.7176.4-56.2-56.699.900112.7T674 W680 P737 R740T674-Q676 PolarHBondContact O-N 3.39Å; T674-Q676 PolarHBondContact OG1-N 3.15Å; Q676-W680 PolarHBondContact O-N 2.93Å; Q676-P737 HydrophobicContact CB-CB 3.76Å; Q676-P737 WeakPolarHBondContact CB-O 3.43Å; Q676-P737 HydrophobicContact CG-CB 4.44Å; Q676-P737 WeakPolarHBondContact CG-O 3.27Å; Q676-P737 PolarHBondContact NE2-O 3.06Å; Q676-R740 PolarHBondContact NE2-O 3.17Å; Q676-R740 WeakPolarHBondContact O-CD 3.49Å; Q676-R740 PolarHBondContact O-NH1 3.42Å
677S93.8Very high90Very high2 Ų228.9 Ų28.91%0.01414%0.14CC..Hα-helixtrans-76-34.1172-44.60000111.4E666 T674 H675 S681E666-S677 WeakPolarHBondContact OE1-CA 3.48Å; E666-S677 VanDerWaalsContact OE1-CB 3.3Å; E666-S677 WeakPolarHBondContact OE1-CB 3.48Å; E666-S677 PolarHBondContact OE1-OG 3.33Å; T674-S677 PolarHBondContact N-OG 3.16Å; T674-S677 WeakPolarHBondContact O-CA 3.26Å; T674-S677 VanDerWaalsContact O-CB 3.24Å; T674-S677 WeakPolarHBondContact O-CB 3.45Å; T674-S677 PolarHBondContact O-N 2.75Å; T674-S677 PolarHBondContact O-OG 3.06Å; T674-S677 PolarHBondContact OG1-N 2.97Å; T674-S677 PolarHBondContact OG1-OG 3.2Å; H675-S677 PolarHBondContact O-N 3.11Å; S677-S681 PolarHBondContact O-N 2.91Å; S677-S681 PolarHBondContact O-OG 3.09Å; S677-S681 VanDerWaalsContact O-OG 3.08Å
678D96.4Very high90.6Very high1 Ų128.8 Ų28.81%0.00514%0.139CC..Hα-helixtrans-69.7-34.3168.5-73.8-23.2000111.8M607 I616 H617 R618 T674 H675 W680 S681 Y682 F743M607-D678 HydrophobicContact CE-CB 3.71Å; I616-D678 VanDerWaalsContact CA-OD2 3.28Å; I616-D678 WeakPolarHBondContact CA-OD2 3.48Å; I616-D678 WeakPolarHBondContact CG2-OD2 3.26Å; H617-D678 PolarHBondContact N-OD1 3.49Å; H617-D678 PolarHBondContact N-OD2 3.35Å; R618-D678 PolarHBondContact N-OD1 2.99Å; T674-D678 PolarHBondContact O-N 3.09Å; H675-D678 WeakPolarHBondContact O-CB 3.44Å; H675-D678 PolarHBondContact O-N 3.5Å; H675-D678 VanDerWaalsContact O-N 3.12Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.42Å; D678-S681 CarbonylContact O-C 3.56Å; D678-S681 WeakPolarHBondContact O-CA 3.49Å; D678-S681 WeakPolarHBondContact O-CB 3.41Å; D678-S681 PolarHBondContact O-N 2.97Å; D678-S681 VanDerWaalsContact O-N 3.09Å; D678-Y682 WeakPolarHBondContact O-CB 3.45Å; D678-Y682 PolarHBondContact O-N 2.99Å; D678-F743 HydrophobicContact CB-CE2 3.9Å; D678-F743 HydrophobicContact CB-CZ 3.98Å
679V98.6Very high91.6Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-59.1-41173.5168.50000111.5H675 S681 Y682 G683 C732 R740 P741 F743 L746H675-V679 WeakPolarHBondContact O-CG2 3.42Å; H675-V679 PolarHBondContact O-N 3.24Å; V679-S681 VanDerWaalsContact C-N 3.35Å; V679-S681 PolarHBondContact O-N 2.77Å; V679-Y682 WeakPolarHBondContact O-CB 3.33Å; V679-Y682 PolarHBondContact O-N 3.36Å; V679-G683 PolarHBondContact O-N 3Å; V679-C732 HydrophobicContact CG1-CB 4.09Å; V679-R740 HydrophobicContact CG1-CB 3.89Å; V679-P741 HydrophobicContact CG1-CG 4.41Å; V679-P741 WeakPolarHBondContact CG1-O 3.25Å; V679-P741 WeakPolarHBondContact CG2-O 3.42Å; V679-F743 HydrophobicContact CB-CZ 4.39Å; V679-F743 HydrophobicContact CG2-CD1 4.43Å; V679-F743 HydrophobicContact CG2-CD2 3.91Å; V679-F743 HydrophobicContact CG2-CE1 4.18Å; V679-F743 HydrophobicContact CG2-CE2 3.63Å; V679-F743 HydrophobicContact CG2-CG 4.3Å; V679-F743 HydrophobicContact CG2-CZ 3.77Å; V679-L746 HydrophobicContact CG1-CD1 4.23Å
680W98.4Very high92.6Very high1 Ų124.3 Ų24.30%0.00412%0.118CC..Hα-helixtrans-60.1-46.1172.4174.9-73.2000111.6W662 M663 A664 P665 Q676 D678 Y682 G683 V684 L709 C732 W733W662-W680 VanDerWaalsContact O-CD1 3.3Å; M663-W680 PolarHBondContact O-NE1 3.14Å; M663-W680 VanDerWaalsContact O-NE1 3.1Å; A664-W680 HydrophobicContact CB-CB 3.7Å; A664-W680 HydrophobicContact CB-CD2 4.15Å; A664-W680 HydrophobicContact CB-CG 3.71Å; P665-W680 VanDerWaalsContact CD-CE3 3.44Å; P665-W680 HydrophobicContact CG-CE3 4.17Å; P665-W680 HydrophobicContact CG-CH2 3.54Å; P665-W680 HydrophobicContact CG-CZ2 4.09Å; P665-W680 HydrophobicContact CG-CZ3 3.57Å; Q676-W680 PolarHBondContact O-N 2.93Å; D678-W680 VanDerWaalsContact C-N 3.3Å; D678-W680 PolarHBondContact O-N 3.42Å; W680-Y682 PolarHBondContact O-N 3.19Å; W680-G683 PolarHBondContact O-N 2.9Å; W680-G683 VanDerWaalsContact O-N 3.12Å; W680-V684 PolarHBondContact O-N 3.37Å; W680-V684 VanDerWaalsContact O-N 3.12Å; W680-L709 HydrophobicContact CH2-CD2 4.06Å; W680-L709 HydrophobicContact CZ2-CD2 3.81Å; W680-C732 WeakPolarHBondContact CA-O 3.33Å; W680-W733 HydrophobicContact CD2-CB 4.49Å; W680-W733 AromaticContact CD2-CD1 3.82Å; W680-W733 AromaticContact CE2-CD1 3.94Å; W680-W733 VanDerWaalsContact CE3-CA 3.5Å; W680-W733 HydrophobicContact CE3-CB 4.04Å; W680-W733 HydrophobicContact CH2-CB 4.14Å; W680-W733 HydrophobicContact CZ3-CB 3.85Å; W680-W733 WeakPolarHBondContact CZ3-O 3.23Å; W680-W733 PolarHBondContact O-NE1 3.4Å
681S98.1Very high93.7Very high6 Ų620.6 Ų20.64%0.04210%0.099CC..Hα-helixtrans-61.1-36.4177.2-50.70000111.2W662 S677 D678 V679 V684 L685W662-S681 WeakPolarHBondContact O-CA 3.48Å; W662-S681 PolarHBondContact O-OG 2.92Å; S677-S681 PolarHBondContact O-N 2.91Å; S677-S681 PolarHBondContact O-OG 3.09Å; S677-S681 VanDerWaalsContact O-OG 3.08Å; D678-S681 CarbonylContact O-C 3.56Å; D678-S681 WeakPolarHBondContact O-CA 3.49Å; D678-S681 WeakPolarHBondContact O-CB 3.41Å; D678-S681 PolarHBondContact O-N 2.97Å; D678-S681 VanDerWaalsContact O-N 3.09Å; V679-S681 VanDerWaalsContact C-N 3.35Å; V679-S681 PolarHBondContact O-N 2.77Å; S681-V684 WeakPolarHBondContact O-CB 3.4Å; S681-V684 PolarHBondContact O-N 3.2Å; S681-L685 PolarHBondContact O-N 3.23Å
682Y98.8Very high94.6Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-65.8-40.1173.5-178.7-99.2000112.4A600 V603 A604 L620 D678 V679 W680 V684 L685 L686 F743 L746 L750A600-Y682 VanDerWaalsContact C-OH 3.28Å; A600-Y682 PolarHBondContact O-OH 3.12Å; V603-Y682 HydrophobicContact CB-CE2 4.18Å; V603-Y682 HydrophobicContact CG1-CD2 4.25Å; V603-Y682 HydrophobicContact CG1-CE2 4.05Å; A604-Y682 HydrophobicContact CB-CE2 4.23Å; L620-Y682 HydrophobicContact CD2-CD2 4.13Å; L620-Y682 HydrophobicContact CD2-CG 4.49Å; D678-Y682 WeakPolarHBondContact O-CB 3.45Å; D678-Y682 PolarHBondContact O-N 2.99Å; V679-Y682 WeakPolarHBondContact O-CB 3.33Å; V679-Y682 PolarHBondContact O-N 3.36Å; W680-Y682 PolarHBondContact O-N 3.19Å; Y682-V684 VanDerWaalsContact C-N 3.26Å; Y682-V684 PolarHBondContact O-N 3.07Å; Y682-L685 HydrophobicContact CD2-CD2 4.17Å; Y682-L685 HydrophobicContact CE2-CD2 4.43Å; Y682-L685 CarbonylContact O-C 3.54Å; Y682-L685 WeakPolarHBondContact O-CA 3.38Å; Y682-L685 WeakPolarHBondContact O-CB 3.34Å; Y682-L685 PolarHBondContact O-N 2.79Å; Y682-L685 VanDerWaalsContact O-N 3.11Å; Y682-L686 HydrophobicContact CD1-CD1 4.11Å; Y682-L686 HydrophobicContact CD1-CG 4.11Å; Y682-L686 HydrophobicContact CE1-CD1 3.67Å; Y682-L686 HydrophobicContact CE1-CD2 3.87Å; Y682-L686 HydrophobicContact CE1-CG 3.66Å; Y682-L686 WeakPolarHBondContact O-CG 3.49Å; Y682-L686 PolarHBondContact O-N 3.2Å; Y682-L686 WeakPolarHBondContact OH-CD2 3.36Å; Y682-F743 HydrophobicContact CD1-CE1 4.25Å; Y682-F743 HydrophobicContact CD2-CE1 4.1Å; Y682-F743 AromaticContact CG-CE1 3.74Å; Y682-F743 HydrophobicContact CG-CE1 3.74Å; Y682-L746 HydrophobicContact CD1-CD1 3.68Å; Y682-L746 HydrophobicContact CE1-CD1 3.94Å; Y682-L746 HydrophobicContact CE1-CD2 4.35Å; Y682-L750 HydrophobicContact CE1-CD1 4.47Å; Y682-L750 WeakPolarHBondContact OH-CD1 3.42Å
683G98.5Very high95.4Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-57.7-39.3170.400000112.5V679 W680 L686 W687 W733V679-G683 PolarHBondContact O-N 3Å; W680-G683 PolarHBondContact O-N 2.9Å; W680-G683 VanDerWaalsContact O-N 3.12Å; G683-L686 PolarHBondContact O-N 3.24Å; G683-W687 PolarHBondContact O-N 3.35Å; G683-W733 VanDerWaalsContact C-NE1 3.3Å; G683-W733 WeakPolarHBondContact O-CZ2 3.29Å
684V98.4Very high95.7Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-67.5-40.7173.6-178.50000111.4W662 W680 S681 Y682 W687 E688 P696 M715 W733W662-V684 VanDerWaalsContact CD1-CG1 3.41Å; W662-V684 HydrophobicContact CD2-CG1 4.35Å; W662-V684 HydrophobicContact CG-CB 4.43Å; W662-V684 HydrophobicContact CG-CG1 3.91Å; W680-V684 PolarHBondContact O-N 3.37Å; W680-V684 VanDerWaalsContact O-N 3.12Å; S681-V684 WeakPolarHBondContact O-CB 3.4Å; S681-V684 PolarHBondContact O-N 3.2Å; Y682-V684 VanDerWaalsContact C-N 3.26Å; Y682-V684 PolarHBondContact O-N 3.07Å; V684-W687 WeakPolarHBondContact O-CB 3.44Å; V684-W687 PolarHBondContact O-N 3.45Å; V684-E688 PolarHBondContact O-N 3.18Å; V684-P696 HydrophobicContact CG1-CB 3.77Å; V684-P696 HydrophobicContact CG1-CG 3.44Å; V684-P696 VanDerWaalsContact CG1-CG 3.44Å; V684-M715 HydrophobicContact CG1-CE 4.27Å; V684-M715 HydrophobicContact CG2-CE 4.27Å; V684-W733 HydrophobicContact CG2-CZ2 4.43Å
685L98.4Very high95.8Very high0 Ų010.2 Ų10.20%06%0.058CC..Hα-helixtrans-61.8-40.9173.8172.464.3000112.5L565 V603 L620 A622 V625 S681 Y682 W687 E688 I689L565-L685 HydrophobicContact CD2-CD1 4.4Å; V603-L685 HydrophobicContact CB-CD2 4.25Å; V603-L685 HydrophobicContact CG1-CD2 3.57Å; V603-L685 HydrophobicContact CG2-CD2 4.43Å; L620-L685 HydrophobicContact CD1-CD2 4.17Å; L620-L685 HydrophobicContact CD2-CD2 4.49Å; L620-L685 HydrophobicContact CG-CD2 4.19Å; A622-L685 HydrophobicContact CB-CD1 3.74Å; V625-L685 HydrophobicContact CG2-CD2 4.27Å; S681-L685 PolarHBondContact O-N 3.23Å; Y682-L685 HydrophobicContact CD2-CD2 4.17Å; Y682-L685 HydrophobicContact CE2-CD2 4.43Å; Y682-L685 CarbonylContact O-C 3.54Å; Y682-L685 WeakPolarHBondContact O-CA 3.38Å; Y682-L685 WeakPolarHBondContact O-CB 3.34Å; Y682-L685 PolarHBondContact O-N 2.79Å; Y682-L685 VanDerWaalsContact O-N 3.11Å; L685-W687 VanDerWaalsContact C-N 3.29Å; L685-W687 PolarHBondContact O-N 2.91Å; L685-E688 WeakPolarHBondContact O-CB 3.3Å; L685-E688 PolarHBondContact O-N 3.45Å; L685-E688 VanDerWaalsContact O-N 3.14Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4Å; L685-I689 HydrophobicContact CG-CG1 4.48Å; L685-I689 WeakPolarHBondContact O-CG1 2.95Å; L685-I689 PolarHBondContact O-N 2.97Å
686L98.4Very high95.8Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-56.3-46.4172.7-73.7179.8000110.4A600 Y682 G683 E688 I689 F690 I728 M729A600-L686 HydrophobicContact CB-CD2 3.45Å; A600-L686 VanDerWaalsContact CB-CD2 3.45Å; Y682-L686 HydrophobicContact CD1-CD1 4.11Å; Y682-L686 HydrophobicContact CD1-CG 4.11Å; Y682-L686 HydrophobicContact CE1-CD1 3.67Å; Y682-L686 HydrophobicContact CE1-CD2 3.87Å; Y682-L686 HydrophobicContact CE1-CG 3.66Å; Y682-L686 WeakPolarHBondContact O-CG 3.49Å; Y682-L686 PolarHBondContact O-N 3.2Å; Y682-L686 WeakPolarHBondContact OH-CD2 3.36Å; G683-L686 PolarHBondContact O-N 3.24Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.17Å; L686-I689 PolarHBondContact O-N 3Å; L686-F690 HydrophobicContact CD2-CE2 4.39Å; L686-F690 VanDerWaalsContact O-CD2 3.29Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å; L686-F690 PolarHBondContact O-N 3.07Å; L686-I728 HydrophobicContact CD1-CG2 4.04Å; L686-M729 HydrophobicContact CB-CE 3.96Å; L686-M729 HydrophobicContact CB-CG 3.8Å; L686-M729 HydrophobicContact CB-SD 4.43Å; L686-M729 HydrophobicContact CD1-CG 4.02Å
687W98.1Very high95.5Very high21 Ų216.5 Ų6.58%0.084%0.041CC..Hα-helixtrans-61.9-39.6175.9-16997.5000112.2G683 V684 L685 T691 S695 P696 P698 M715 D716 P718 M729 W733G683-W687 PolarHBondContact O-N 3.35Å; V684-W687 WeakPolarHBondContact O-CB 3.44Å; V684-W687 PolarHBondContact O-N 3.45Å; L685-W687 VanDerWaalsContact C-N 3.29Å; L685-W687 PolarHBondContact O-N 2.91Å; W687-T691 HydrophobicContact CD2-CG2 3.9Å; W687-T691 HydrophobicContact CE3-CG2 3.96Å; W687-T691 HydrophobicContact CH2-CG2 3.84Å; W687-T691 HydrophobicContact CZ2-CG2 3.77Å; W687-T691 HydrophobicContact CZ3-CG2 3.91Å; W687-T691 WeakPolarHBondContact O-CB 3.28Å; W687-T691 WeakPolarHBondContact O-CG2 3.34Å; W687-T691 PolarHBondContact O-N 2.9Å; W687-T691 PolarHBondContact O-OG1 2.64Å; W687-S695 WeakPolarHBondContact CH2-O 3.43Å; W687-S695 WeakPolarHBondContact CZ3-O 3.47Å; W687-P696 HydrophobicContact CE3-CG 4.49Å; W687-P698 HydrophobicContact CH2-CG 4.28Å; W687-P698 HydrophobicContact CZ2-CG 4.43Å; W687-M715 HydrophobicContact CB-CE 3.88Å; W687-M715 HydrophobicContact CD2-CE 4.02Å; W687-M715 HydrophobicContact CD2-SD 3.82Å; W687-M715 HydrophobicContact CE3-SD 4.13Å; W687-M715 HydrophobicContact CG-CE 3.73Å; W687-M715 HydrophobicContact CG-SD 4.14Å; W687-M715 HydrophobicContact CZ2-SD 4.38Å; W687-D716 PolarHBondContact NE1-O 3.33Å; W687-P718 HydrophobicContact CG-CG 4.19Å; W687-M729 HydrophobicContact CB-SD 4.14Å; W687-W733 HydrophobicContact CB-CH2 4.08Å; W687-W733 HydrophobicContact CB-CZ2 4.06Å; W687-W733 AromaticContact CD1-CH2 3.95Å; W687-W733 HydrophobicContact CG-CH2 4.27Å
688E97.8Very high95Very high1 Ų110.5 Ų10.51%0.0057%0.067CC..Hα-helixtrans-60.1-44.6171.6-68.8-173.198.900112A622 W662 V684 L685 L686 T691 L692 G693 P696A622-E688 HydrophobicContact CB-CB 3.97Å; A622-E688 HydrophobicContact CB-CG 4.39Å; A622-E688 PolarHBondContact N-OE2 3.25Å; W662-E688 WeakPolarHBondContact CZ2-OE1 3.49Å; W662-E688 PolarHBondContact NE1-OE2 3.42Å; V684-E688 PolarHBondContact O-N 3.18Å; L685-E688 WeakPolarHBondContact O-CB 3.3Å; L685-E688 PolarHBondContact O-N 3.45Å; L685-E688 VanDerWaalsContact O-N 3.14Å; L686-E688 VanDerWaalsContact C-N 3.34Å; L686-E688 PolarHBondContact O-N 3.17Å; E688-T691 CarbonylContact O-C 3.57Å; E688-T691 PolarHBondContact O-N 2.88Å; E688-T691 PolarHBondContact O-OG1 3.1Å; E688-L692 PolarHBondContact O-N 3.18Å; E688-G693 PolarHBondContact O-N 3.32Å; E688-P696 HydrophobicContact CG-CG 3.89Å
689I97.1Very high94.3Very high0 Ų014.6 Ų14.60%011%0.109CC..Hα-helixtrans-61.5-52.4179.4-69.7166.8000110.7L565 L569 L596 C599 A600 L685 L686 T691 L692L565-I689 HydrophobicContact CD2-CD1 4.26Å; L565-I689 HydrophobicContact CD2-CG1 4.11Å; L569-I689 HydrophobicContact CD1-CG1 4.35Å; L596-I689 HydrophobicContact CB-CG2 3.97Å; L596-I689 HydrophobicContact CD2-CG2 4.04Å; C599-I689 HydrophobicContact CB-CD1 4.47Å; C599-I689 HydrophobicContact CB-CG2 4.43Å; A600-I689 HydrophobicContact CB-CD1 4.38Å; L685-I689 HydrophobicContact CD1-CD1 4.17Å; L685-I689 HydrophobicContact CD1-CG1 4.22Å; L685-I689 HydrophobicContact CG-CD1 4Å; L685-I689 HydrophobicContact CG-CG1 4.48Å; L685-I689 WeakPolarHBondContact O-CG1 2.95Å; L685-I689 PolarHBondContact O-N 2.97Å; L686-I689 PolarHBondContact O-N 3Å; I689-T691 PolarHBondContact O-N 3.35Å; I689-L692 WeakPolarHBondContact O-CA 3.29Å; I689-L692 PolarHBondContact O-N 3.32Å
690F96Very high93.3Very high1 Ų116 Ų160%0.00412%0.117CC..Hα-helixtrans-78-4.2-177.3-70.2-76.3000114.4F593 L596 V597 A600 L686 P718 C721 L725 M729F593-F690 HydrophobicContact CD2-CE1 4.1Å; F593-F690 HydrophobicContact CE2-CD1 4.42Å; F593-F690 AromaticContact CE2-CE1 3.8Å; F593-F690 HydrophobicContact CE2-CE1 3.8Å; L596-F690 HydrophobicContact CB-CD1 4.04Å; L596-F690 HydrophobicContact CB-CE1 3.53Å; L596-F690 HydrophobicContact CB-CZ 3.98Å; L596-F690 HydrophobicContact CD1-CD1 3.96Å; L596-F690 HydrophobicContact CD1-CE1 4.22Å; V597-F690 HydrophobicContact CG2-CE1 4.34Å; V597-F690 HydrophobicContact CG2-CZ 4Å; A600-F690 HydrophobicContact CB-CE2 4.49Å; L686-F690 HydrophobicContact CD2-CE2 4.39Å; L686-F690 VanDerWaalsContact O-CD2 3.29Å; L686-F690 WeakPolarHBondContact O-CD2 3.49Å; L686-F690 PolarHBondContact O-N 3.07Å; F690-P718 HydrophobicContact CB-CB 4.01Å; F690-P718 HydrophobicContact CB-CG 4.06Å; F690-P718 WeakPolarHBondContact O-CB 3.2Å; F690-C721 HydrophobicContact CB-CB 4.02Å; F690-C721 HydrophobicContact CD1-CB 4.45Å; F690-C721 HydrophobicContact CG-CB 4.28Å; F690-L725 HydrophobicContact CD1-CD1 4.45Å; F690-L725 HydrophobicContact CE1-CD1 3.69Å; F690-L725 HydrophobicContact CE2-CD1 4.02Å; F690-L725 HydrophobicContact CE2-CD2 4.32Å; F690-L725 HydrophobicContact CZ-CD1 3.46Å; F690-L725 VanDerWaalsContact CZ-CD1 3.46Å; F690-L725 HydrophobicContact CZ-CD2 4.27Å; F690-L725 HydrophobicContact CZ-CG 4.44Å; F690-M729 HydrophobicContact CB-CE 4.15Å; F690-M729 HydrophobicContact CD2-CE 3.65Å; F690-M729 HydrophobicContact CG-CE 4.2Å
691T94.1Very high92.4Very high31 Ų3118.5 Ų18.519%0.1913%0.133CC..THydrogen-bonded Turntrans-10312163.2580000113R573 W687 E688 I689 G693 G694 P718R573-T691 PolarHBondContact NH2-O 3.33Å; W687-T691 HydrophobicContact CD2-CG2 3.9Å; W687-T691 HydrophobicContact CE3-CG2 3.96Å; W687-T691 HydrophobicContact CH2-CG2 3.84Å; W687-T691 HydrophobicContact CZ2-CG2 3.77Å; W687-T691 HydrophobicContact CZ3-CG2 3.91Å; W687-T691 WeakPolarHBondContact O-CB 3.28Å; W687-T691 WeakPolarHBondContact O-CG2 3.34Å; W687-T691 PolarHBondContact O-N 2.9Å; W687-T691 PolarHBondContact O-OG1 2.64Å; E688-T691 CarbonylContact O-C 3.57Å; E688-T691 PolarHBondContact O-N 2.88Å; E688-T691 PolarHBondContact O-OG1 3.1Å; I689-T691 PolarHBondContact O-N 3.35Å; T691-G693 VanDerWaalsContact C-N 3.33Å; T691-G693 PolarHBondContact O-N 2.94Å; T691-G694 PolarHBondContact O-N 3.12Å; T691-G694 WeakPolarHBondContact OG1-CA 3.31Å; T691-G694 PolarHBondContact OG1-N 3.17Å; T691-G694 VanDerWaalsContact OG1-N 3.16Å; T691-P718 HydrophobicContact CG2-CB 3.76Å; T691-P718 HydrophobicContact CG2-CG 3.92Å
692L93.3Very high91.2Very high5 Ų520.4 Ų20.43%0.02614%0.144CC..THydrogen-bonded Turntrans54.941.9179.4-56.9177000113.3L569 R570 R573 M577 L591 L596 E688 I689L569-L692 CarbonylContact C-O 3.43Å; L569-L692 VanDerWaalsContact CB-C 3.44Å; L569-L692 HydrophobicContact CB-CB 4.47Å; L569-L692 HydrophobicContact CD2-CD2 4.27Å; R570-L692 PolarHBondContact N-O 2.73Å; R573-L692 HydrophobicContact CG-CB 3.65Å; R573-L692 HydrophobicContact CG-CD1 3.96Å; R573-L692 HydrophobicContact CG-CG 4.47Å; R573-L692 VanDerWaalsContact CZ-O 3.27Å; R573-L692 PolarHBondContact NE-O 3.21Å; R573-L692 PolarHBondContact NH2-O 3.05Å; M577-L692 HydrophobicContact SD-CD1 4.32Å; L591-L692 HydrophobicContact CD1-CD2 4.41Å; L596-L692 HydrophobicContact CD1-CD2 3.88Å; L596-L692 HydrophobicContact CD2-CD2 3.64Å; L596-L692 HydrophobicContact CG-CD2 4.38Å; E688-L692 PolarHBondContact O-N 3.18Å; I689-L692 WeakPolarHBondContact O-CA 3.29Å; I689-L692 PolarHBondContact O-N 3.32Å
693G92Very high90Very high0 Ų027.2 Ų27.20%018%0.176CC..SBendtrans87.832.1-176.800000113.8R570 E688 T691R570-G693 PolarHBondContact NE-O 3.31Å; R570-G693 PolarHBondContact NH2-O 3.37Å; E688-G693 PolarHBondContact O-N 3.32Å; T691-G693 VanDerWaalsContact C-N 3.33Å; T691-G693 PolarHBondContact O-N 2.94Å
694G88.9Confident89.1Confident9 Ų932.6 Ų32.69%0.09320%0.201CC..PPolyproline II helixtrans-60.5164.7171.200000112.5T691T691-G694 PolarHBondContact O-N 3.12Å; T691-G694 WeakPolarHBondContact OG1-CA 3.31Å; T691-G694 PolarHBondContact OG1-N 3.17Å; T691-G694 VanDerWaalsContact OG1-N 3.16Å
695S89.1Confident88.3Confident56 Ų5632.6 Ų32.639%0.39220%0.201SC..PPolyproline II helixtrans-93.7123.3170.8-176.30000109.3W687W687-S695 WeakPolarHBondContact CH2-O 3.43Å; W687-S695 WeakPolarHBondContact CZ3-O 3.47Å
696P92.2Very high87.2Confident0 Ų036.2 Ų36.20%022%0.217CC..SBendtrans-54149.2176-29.237.1000112.8K661 W662 V684 W687 E688 M715K661-P696 HydrophobicContact CB-CB 4.27Å; K661-P696 WeakPolarHBondContact CD-O 3.3Å; K661-P696 PolarHBondContact NZ-O 3.02Å; W662-P696 HydrophobicContact CH2-CG 4.25Å; W662-P696 HydrophobicContact CZ2-CG 3.67Å; V684-P696 HydrophobicContact CG1-CB 3.77Å; V684-P696 HydrophobicContact CG1-CG 3.44Å; V684-P696 VanDerWaalsContact CG1-CG 3.44Å; W687-P696 HydrophobicContact CE3-CG 4.49Å; E688-P696 HydrophobicContact CG-CG 3.89Å; P696-M715 HydrophobicContact CB-CE 4.32Å; P696-M715 HydrophobicContact CB-SD 3.75Å
697Y89.3Confident86.3Confident2 Ų242.3 Ų42.31%0.00824%0.244CC..SBendtrans45.965.6-176.7-56.4-85.7000110.9K661 I700 L705 L709 H713 M715K661-Y697 HydrophobicContact CB-CD2 4.21Å; K661-Y697 HydrophobicContact CD-CD2 4.41Å; K661-Y697 HydrophobicContact CG-CD2 4.49Å; K661-Y697 PolarHBondContact NZ-O 3.34Å; K661-Y697 WeakPolarHBondContact O-CE2 3.43Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 2.75Å; Y697-L705 HydrophobicContact CD1-CD1 3.41Å; Y697-L705 VanDerWaalsContact CD1-CD1 3.41Å; Y697-L705 HydrophobicContact CD2-CD1 3.97Å; Y697-L705 HydrophobicContact CD2-CD2 3.81Å; Y697-L705 HydrophobicContact CE1-CD1 3.62Å; Y697-L705 HydrophobicContact CE2-CD1 4.18Å; Y697-L705 HydrophobicContact CE2-CD2 4.15Å; Y697-L705 HydrophobicContact CG-CD1 3.6Å; Y697-L705 HydrophobicContact CG-CD2 4.12Å; Y697-L709 HydrophobicContact CE1-CD2 4.28Å; Y697-H713 AromaticContact CD1-NE2 3.97Å; Y697-M715 HydrophobicContact CD1-CG 3.49Å; Y697-M715 VanDerWaalsContact CD1-CG 3.49Å; Y697-M715 HydrophobicContact CD1-SD 4.21Å; Y697-M715 HydrophobicContact CD2-CG 4.22Å; Y697-M715 HydrophobicContact CD2-SD 3.84Å; Y697-M715 HydrophobicContact CE1-CG 3.48Å; Y697-M715 VanDerWaalsContact CE1-CG 3.48Å; Y697-M715 HydrophobicContact CE1-SD 4.3Å; Y697-M715 HydrophobicContact CE2-CE 4.14Å; Y697-M715 HydrophobicContact CE2-CG 4.19Å; Y697-M715 HydrophobicContact CE2-SD 3.93Å; Y697-M715 HydrophobicContact CG-CG 3.88Å; Y697-M715 HydrophobicContact CG-SD 3.98Å; Y697-M715 PolarHBondContact N-SD 3.26Å
698P84.1Confident85.6Confident86 Ų8643.5 Ų43.556%0.55825%0.251SS*.THydrogen-bonded Turntrans-61.7138.4-175.626.6-34.7000110.7W687 I700W687-P698 HydrophobicContact CH2-CG 4.28Å; W687-P698 HydrophobicContact CZ2-CG 4.43Å; P698-I700 PolarHBondContact O-N 2.8Å
699G80.1Confident85.1Confident87 Ų8743.9 Ų43.990%0.89725%0.253SS*.THydrogen-bonded Turntrans74.8-22-176.300000115.7
700I77.6Confident84.4Confident31 Ų3151.1 Ų51.116%0.15929%0.285CS..  trans-84.9122.8-177-61.9166.1000110.5K661 Y697 P698 L705 L708 H713K661-I700 WeakPolarHBondContact CE-O 3.44Å; K661-I700 PolarHBondContact NZ-O 3.32Å; Y697-I700 HydrophobicContact CD1-CD1 4.37Å; Y697-I700 PolarHBondContact O-N 2.75Å; P698-I700 PolarHBondContact O-N 2.8Å; I700-L705 HydrophobicContact CG2-CB 4.12Å; I700-L705 HydrophobicContact CG2-CD1 4.41Å; I700-L708 HydrophobicContact CD1-CD1 4.02Å; I700-L708 HydrophobicContact CG1-CD1 4.3Å; I700-L708 HydrophobicContact CG2-CD1 3.77Å; I700-H713 WeakPolarHBondContact CD1-NE2 3.47Å
701P79.8Confident84Confident52 Ų5256.7 Ų56.734%0.33831%0.311SS..  trans-72.3158.417332.1-34.6000111.3E703 E704 L705P701-E703 PolarHBondContact O-N 2.75Å; P701-E704 WeakPolarHBondContact CD-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 3.96Å; P701-E704 VanDerWaalsContact CG-CD 3.5Å; P701-E704 HydrophobicContact CG-CG 3.74Å; P701-E704 PolarHBondContact O-N 3.44Å; P701-L705 PolarHBondContact O-N 2.99Å
702V73.2Confident83.6Confident47 Ų4757.3 Ų57.329%0.28532%0.323SS..Hα-helixtrans-66.8-32.3-172.6173.10000111.3V660 K661 L705 F706V660-V702 HydrophobicContact CB-CG1 3.65Å; V660-V702 HydrophobicContact CG1-CG1 3.55Å; V660-V702 HydrophobicContact CG2-CG1 3.93Å; K661-V702 HydrophobicContact CG-CG2 4.36Å; V702-L705 PolarHBondContact O-N 3.47Å; V702-F706 HydrophobicContact CG1-CE2 4.08Å; V702-F706 WeakPolarHBondContact O-CD2 3.47Å; V702-F706 WeakPolarHBondContact O-CE2 3.4Å
703E73.6Confident83.4Confident143 Ų14360 Ų6067%0.66834%0.336SS*.Hα-helixtrans-65.6-39.5-178.5-61.568.7-153.300111.7P701P701-E703 PolarHBondContact O-N 2.75Å
704E80.8Confident83.5Confident113 Ų11361.6 Ų61.653%0.52834%0.342SS..Hα-helixtrans-80.4-30.7177-68.5177-178.600112.5P701 F706 K707 L708P701-E704 WeakPolarHBondContact CD-OE2 3.43Å; P701-E704 HydrophobicContact CG-CB 3.96Å; P701-E704 VanDerWaalsContact CG-CD 3.5Å; P701-E704 HydrophobicContact CG-CG 3.74Å; P701-E704 PolarHBondContact O-N 3.44Å; E704-F706 PolarHBondContact O-N 3.09Å; E704-K707 WeakPolarHBondContact O-CB 3.38Å; E704-K707 PolarHBondContact O-N 2.96Å; E704-L708 PolarHBondContact O-N 2.93Å; E704-L708 VanDerWaalsContact O-N 3.15Å
705L80.9Confident83.8Confident0 Ų061.4 Ų61.40%034%0.338CS..Hα-helixtrans-56-36.1-178.3-177.260.1000112.5K661 Y697 I700 P701 V702 K707 L708 L709K661-L705 HydrophobicContact CB-CD2 4.3Å; K661-L705 HydrophobicContact CG-CD2 3.83Å; Y697-L705 HydrophobicContact CD1-CD1 3.41Å; Y697-L705 VanDerWaalsContact CD1-CD1 3.41Å; Y697-L705 HydrophobicContact CD2-CD1 3.97Å; Y697-L705 HydrophobicContact CD2-CD2 3.81Å; Y697-L705 HydrophobicContact CE1-CD1 3.62Å; Y697-L705 HydrophobicContact CE2-CD1 4.18Å; Y697-L705 HydrophobicContact CE2-CD2 4.15Å; Y697-L705 HydrophobicContact CG-CD1 3.6Å; Y697-L705 HydrophobicContact CG-CD2 4.12Å; I700-L705 HydrophobicContact CG2-CB 4.12Å; I700-L705 HydrophobicContact CG2-CD1 4.41Å; P701-L705 PolarHBondContact O-N 2.99Å; V702-L705 PolarHBondContact O-N 3.47Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.44Å; L705-L708 PolarHBondContact O-N 2.96Å; L705-L709 HydrophobicContact CD1-CD1 4.2Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.86Å; L705-L709 HydrophobicContact CG-CD1 3.94Å; L705-L709 HydrophobicContact CG-CG 4.08Å; L705-L709 WeakPolarHBondContact O-CB 3.5Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.36Å; L705-L709 PolarHBondContact O-N 3.04Å
706F74.3Confident84Confident75 Ų7564.7 Ų64.733%0.32935%0.352SS..Hα-helixtrans-57.3-38.9175.4-68.4-81.5000113.2V660 L668 F669 V702 E704V660-F706 HydrophobicContact CG1-CE1 4.19Å; V660-F706 HydrophobicContact CG1-CE2 4.17Å; V660-F706 HydrophobicContact CG1-CZ 3.77Å; V660-F706 HydrophobicContact CG2-CZ 4.37Å; L668-F706 HydrophobicContact CD2-CE1 3.84Å; L668-F706 HydrophobicContact CD2-CZ 4.47Å; F669-F706 HydrophobicContact CE1-CB 4.39Å; F669-F706 AromaticContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CE1-CD1 3.87Å; F669-F706 HydrophobicContact CZ-CD1 4.43Å; V702-F706 HydrophobicContact CG1-CE2 4.08Å; V702-F706 WeakPolarHBondContact O-CD2 3.47Å; V702-F706 WeakPolarHBondContact O-CE2 3.4Å; E704-F706 PolarHBondContact O-N 3.09Å
707K80.4Confident84.1Confident128 Ų12869 Ų6956%0.55737%0.371SS*.Hα-helixtrans-73.8-49.4179.2-170.7-171.4177.1-122.70110.1E704 L705 L709 K710 E711E704-K707 WeakPolarHBondContact O-CB 3.38Å; E704-K707 PolarHBondContact O-N 2.96Å; L705-K707 VanDerWaalsContact C-N 3.27Å; L705-K707 PolarHBondContact O-N 3.44Å; K707-L709 VanDerWaalsContact C-N 3.33Å; K707-L709 PolarHBondContact O-N 3.17Å; K707-K710 WeakPolarHBondContact O-CB 3.48Å; K707-K710 PolarHBondContact O-N 2.69Å; K707-K710 VanDerWaalsContact O-N 3.08Å; K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 IonicContact NZ-OE1 3.91Å; K707-E711 PolarHBondContact NZ-OE1 3.42Å; K707-E711 IonicContact NZ-OE2 3.15Å; K707-E711 PolarHBondContact O-N 2.75Å
708L84.1Confident84.2Confident46 Ų4669.1 Ų69.124%0.24137%0.372CS..Hα-helixtrans-58.6-41.7-179.5-68172.9000112.2I700 E704 L705 K710 E711 G712 H713I700-L708 HydrophobicContact CD1-CD1 4.02Å; I700-L708 HydrophobicContact CG1-CD1 4.3Å; I700-L708 HydrophobicContact CG2-CD1 3.77Å; E704-L708 PolarHBondContact O-N 2.93Å; E704-L708 VanDerWaalsContact O-N 3.15Å; L705-L708 PolarHBondContact O-N 2.96Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 2.72Å; L708-E711 CarbonylContact O-C 3.44Å; L708-E711 PolarHBondContact O-N 3.35Å; L708-G712 PolarHBondContact O-N 3.18Å; L708-G712 VanDerWaalsContact O-N 3.15Å; L708-H713 HydrophobicContact CB-CB 3.83Å; L708-H713 VanDerWaalsContact O-CB 3.23Å; L708-H713 WeakPolarHBondContact O-CB 3.3Å; L708-H713 PolarHBondContact O-N 3.32Å
709L87.2Confident84.3Confident9 Ų969 Ų695%0.04738%0.378CS..Hα-helixtrans-62.9-35.8176.8-73.7178.4000113.1L668 W680 Y697 L705 K707 G712L668-L709 HydrophobicContact CD1-CD1 3.98Å; W680-L709 HydrophobicContact CH2-CD2 4.06Å; W680-L709 HydrophobicContact CZ2-CD2 3.81Å; Y697-L709 HydrophobicContact CE1-CD2 4.28Å; L705-L709 HydrophobicContact CD1-CD1 4.2Å; L705-L709 HydrophobicContact CD1-CD2 4.27Å; L705-L709 HydrophobicContact CD1-CG 3.86Å; L705-L709 HydrophobicContact CG-CD1 3.94Å; L705-L709 HydrophobicContact CG-CG 4.08Å; L705-L709 WeakPolarHBondContact O-CB 3.5Å; L705-L709 VanDerWaalsContact O-CG 3.31Å; L705-L709 WeakPolarHBondContact O-CG 3.36Å; L705-L709 PolarHBondContact O-N 3.04Å; K707-L709 VanDerWaalsContact C-N 3.33Å; K707-L709 PolarHBondContact O-N 3.17Å; L709-G712 PolarHBondContact O-N 3.03Å
710K81.1Confident84.3Confident153 Ų15367.7 Ų67.767%0.66535%0.35SS*.Hα-helixtrans-70.5-35.6173.3-73.6-174.8174.4-172.60112.4F669 K707 L708 G712F669-K710 HydrophobicContact CE1-CD 4.34Å; F669-K710 VanDerWaalsContact CE1-CE 3.4Å; F669-K710 HydrophobicContact CE1-CG 4.35Å; F669-K710 HydrophobicContact CE2-CG 3.82Å; F669-K710 HydrophobicContact CZ-CD 4.14Å; F669-K710 HydrophobicContact CZ-CG 3.65Å; K707-K710 WeakPolarHBondContact O-CB 3.48Å; K707-K710 PolarHBondContact O-N 2.69Å; K707-K710 VanDerWaalsContact O-N 3.08Å; L708-K710 VanDerWaalsContact C-N 3.32Å; L708-K710 PolarHBondContact O-N 2.72Å; K710-G712 PolarHBondContact O-N 2.83Å
711E87.6Confident84.9Confident117 Ų11766.6 Ų66.655%0.54735%0.345SS..THydrogen-bonded Turntrans-73.81.1173.1-67.3171.2155.200112.6K707 L708K707-E711 WeakPolarHBondContact CE-OE1 3.33Å; K707-E711 IonicContact NZ-OE1 3.91Å; K707-E711 PolarHBondContact NZ-OE1 3.42Å; K707-E711 IonicContact NZ-OE2 3.15Å; K707-E711 PolarHBondContact O-N 2.75Å; L708-E711 CarbonylContact O-C 3.44Å; L708-E711 PolarHBondContact O-N 3.35Å
712G85.4Confident85.5Confident44 Ų4466.8 Ų66.845%0.45435%0.345SS..THydrogen-bonded Turntrans87.12.8175.800000115.2L708 L709 K710 R714L708-G712 PolarHBondContact O-N 3.18Å; L708-G712 VanDerWaalsContact O-N 3.15Å; L709-G712 PolarHBondContact O-N 3.03Å; K710-G712 PolarHBondContact O-N 2.83Å; G712-R714 PolarHBondContact O-NH1 3.27Å
713H90.5Very high86.3Confident63 Ų6370.7 Ų70.729%0.29236%0.36SS..  trans-56.8140.8178.1176.271.5000111.9Y697 I700 L708Y697-H713 AromaticContact CD1-NE2 3.97Å; I700-H713 WeakPolarHBondContact CD1-NE2 3.47Å; L708-H713 HydrophobicContact CB-CB 3.83Å; L708-H713 VanDerWaalsContact O-CB 3.23Å; L708-H713 WeakPolarHBondContact O-CB 3.3Å; L708-H713 PolarHBondContact O-N 3.32Å
714R93.6Very high87.3Confident33 Ų3368.1 Ų68.113%0.12535%0.348CS..  trans-138.2157.7175.6-61.5-60.6-178.8-93.11108.8G712 W733G712-R714 PolarHBondContact O-NH1 3.27Å; R714-W733 HydrophobicContact CB-CE3 4.08Å; R714-W733 HydrophobicContact CG-CE3 4.43Å; R714-W733 PolarHBondContact NE-O 3.07Å; R714-W733 PolarHBondContact NH2-O 3.14Å
715M95.6Very high88Confident4 Ų462.8 Ų62.82%0.0232%0.324CS..PPolyproline II helixtrans-69.5144.6178.3-63.5-179.7-67.900111.6V684 W687 P696 Y697 Y726 W733V684-M715 HydrophobicContact CG1-CE 4.27Å; V684-M715 HydrophobicContact CG2-CE 4.27Å; W687-M715 HydrophobicContact CB-CE 3.88Å; W687-M715 HydrophobicContact CD2-CE 4.02Å; W687-M715 HydrophobicContact CD2-SD 3.82Å; W687-M715 HydrophobicContact CE3-SD 4.13Å; W687-M715 HydrophobicContact CG-CE 3.73Å; W687-M715 HydrophobicContact CG-SD 4.14Å; W687-M715 HydrophobicContact CZ2-SD 4.38Å; P696-M715 HydrophobicContact CB-CE 4.32Å; P696-M715 HydrophobicContact CB-SD 3.75Å; Y697-M715 HydrophobicContact CD1-CG 3.49Å; Y697-M715 VanDerWaalsContact CD1-CG 3.49Å; Y697-M715 HydrophobicContact CD1-SD 4.21Å; Y697-M715 HydrophobicContact CD2-CG 4.22Å; Y697-M715 HydrophobicContact CD2-SD 3.84Å; Y697-M715 HydrophobicContact CE1-CG 3.48Å; Y697-M715 VanDerWaalsContact CE1-CG 3.48Å; Y697-M715 HydrophobicContact CE1-SD 4.3Å; Y697-M715 HydrophobicContact CE2-CE 4.14Å; Y697-M715 HydrophobicContact CE2-CG 4.19Å; Y697-M715 HydrophobicContact CE2-SD 3.93Å; Y697-M715 HydrophobicContact CG-CG 3.88Å; Y697-M715 HydrophobicContact CG-SD 3.98Å; Y697-M715 PolarHBondContact N-SD 3.26Å; M715-Y726 WeakPolarHBondContact O-CE2 3.26Å; M715-Y726 PolarHBondContact O-OH 2.97Å; M715-W733 HydrophobicContact CB-CH2 4.08Å; M715-W733 HydrophobicContact CB-CZ3 4.27Å; M715-W733 HydrophobicContact CE-CH2 3.5Å; M715-W733 VanDerWaalsContact CE-CH2 3.5Å; M715-W733 HydrophobicContact CE-CZ2 3.27Å; M715-W733 HydrophobicContact CE-CZ3 4.47Å
716D92.8Very high88.8Confident126 Ų12664 Ų6467%0.67433%0.328SS*.PPolyproline II helixtrans-68.1161177.3-59.9-55.1000113.3W687W687-D716 PolarHBondContact NE1-O 3.33Å
717K94.4Very high89.8Confident90 Ų9063.4 Ų63.439%0.39133%0.327SS..PPolyproline II helixtrans-60.2126.5178.5-169.8-176.778.764.70111.1C721 Y726K717-C721 HydrophobicContact CG-CB 4.32Å; K717-C721 PolarHBondContact NZ-O 3.36Å; K717-Y726 HydrophobicContact CB-CD1 3.75Å; K717-Y726 HydrophobicContact CB-CD2 3.97Å; K717-Y726 HydrophobicContact CB-CE1 3.9Å; K717-Y726 HydrophobicContact CB-CE2 4.14Å; K717-Y726 HydrophobicContact CB-CG 3.78Å; K717-Y726 HydrophobicContact CD-CD1 4.18Å; K717-Y726 HydrophobicContact CD-CG 4.24Å; K717-Y726 HydrophobicContact CG-CD1 3.88Å; K717-Y726 HydrophobicContact CG-CD2 4.1Å; K717-Y726 HydrophobicContact CG-CG 3.63Å
718P92.1Very high90.7Very high5 Ų557.7 Ų57.73%0.03230%0.303CS..PPolyproline II helixtrans-59.5152.3170.8-22.933.3000112.9W687 F690 T691 C721 M729W687-P718 HydrophobicContact CG-CG 4.19Å; F690-P718 HydrophobicContact CB-CB 4.01Å; F690-P718 HydrophobicContact CB-CG 4.06Å; F690-P718 WeakPolarHBondContact O-CB 3.2Å; T691-P718 HydrophobicContact CG2-CB 3.76Å; T691-P718 HydrophobicContact CG2-CG 3.92Å; P718-C721 HydrophobicContact CB-CB 3.81Å; P718-C721 HydrophobicContact CG-CB 4.07Å; P718-C721 WeakPolarHBondContact O-CB 3.34Å; P718-C721 PolarHBondContact O-N 3.09Å; P718-M729 HydrophobicContact CG-CE 4.27Å; P718-M729 HydrophobicContact CG-SD 4.45Å
719A85.5Confident91.4Very high83 Ų8355.5 Ų55.569%0.68629%0.291SS*.THydrogen-bonded Turntrans-59-49.4177.600000111.6M577 C721M577-A719 HydrophobicContact CE-CB 4.37Å; A719-C721 PolarHBondContact O-N 3.33Å; A719-C721 VanDerWaalsContact O-N 3.15Å
720N79.9Confident91.9Very high59 Ų5960.7 Ų60.732%0.31631%0.31SS..THydrogen-bonded Turntrans-83.620.1-176.2-59.6-1.1000113.6
721C90.6Very high92.7Very high8 Ų857.9 Ų57.95%0.05430%0.3CS..  trans-113.5135.5-175.8-174.40000111.2F690 K717 P718 A719 L725 M729F690-C721 HydrophobicContact CB-CB 4.02Å; F690-C721 HydrophobicContact CD1-CB 4.45Å; F690-C721 HydrophobicContact CG-CB 4.28Å; K717-C721 HydrophobicContact CG-CB 4.32Å; K717-C721 PolarHBondContact NZ-O 3.36Å; P718-C721 HydrophobicContact CB-CB 3.81Å; P718-C721 HydrophobicContact CG-CB 4.07Å; P718-C721 WeakPolarHBondContact O-CB 3.34Å; P718-C721 PolarHBondContact O-N 3.09Å; A719-C721 PolarHBondContact O-N 3.33Å; A719-C721 VanDerWaalsContact O-N 3.15Å; C721-L725 VanDerWaalsContact SG-CB 3.55Å; C721-M729 VanDerWaalsContact SG-CE 3.56Å
722T92.3Very high93.2Very high56 Ų5652.3 Ų52.334%0.34427%0.273SS..  trans-69165.3169.459.90000111.1F593 L725 Y726F593-T722 HydrophobicContact CE1-CG2 4.27Å; F593-T722 HydrophobicContact CE2-CG2 3.88Å; F593-T722 HydrophobicContact CZ-CG2 3.49Å; F593-T722 VanDerWaalsContact CZ-CG2 3.49Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.44Å; T722-L725 WeakPolarHBondContact OG1-CG 3.14Å; T722-L725 PolarHBondContact OG1-N 3.37Å; T722-Y726 PolarHBondContact O-N 2.82Å
723H90.3Very high93.8Very high130 Ų13050.3 Ų50.360%0.60225%0.252SS*.Hα-helixtrans-64-41.5174.4-175.1-87.7000111.7Y726 M727H723-Y726 WeakPolarHBondContact O-CB 3.23Å; H723-Y726 PolarHBondContact O-N 3.22Å; H723-Y726 VanDerWaalsContact O-N 3.16Å; H723-M727 WeakPolarHBondContact O-CG 3.41Å; H723-M727 PolarHBondContact O-N 3.4Å
724E93.3Very high94.1Very high89 Ų8950.4 Ų50.442%0.41625%0.253SS..Hα-helixtrans-58.2-52.5179.5-174.2177-158.400112.4Y726 M727 I728 I753E724-Y726 PolarHBondContact O-N 2.94Å; E724-M727 WeakPolarHBondContact O-CB 3.2Å; E724-M727 PolarHBondContact O-N 3.47Å; E724-I728 PolarHBondContact O-N 3.31Å; E724-I753 HydrophobicContact CG-CD1 4.06Å
725L95.9Very high94Very high1 Ų151.7 Ų51.71%0.00527%0.27CS..Hα-helixtrans-59.7-32.3175.7-74.9167.6000113F593 V597 F690 C721 T722 I728 M729 L750 I753F593-L725 HydrophobicContact CE2-CD1 3.57Å; F593-L725 HydrophobicContact CZ-CD1 3.41Å; F593-L725 VanDerWaalsContact CZ-CD1 3.41Å; V597-L725 HydrophobicContact CG2-CD1 4.08Å; F690-L725 HydrophobicContact CD1-CD1 4.45Å; F690-L725 HydrophobicContact CE1-CD1 3.69Å; F690-L725 HydrophobicContact CE2-CD1 4.02Å; F690-L725 HydrophobicContact CE2-CD2 4.32Å; F690-L725 HydrophobicContact CZ-CD1 3.46Å; F690-L725 VanDerWaalsContact CZ-CD1 3.46Å; F690-L725 HydrophobicContact CZ-CD2 4.27Å; F690-L725 HydrophobicContact CZ-CG 4.44Å; C721-L725 VanDerWaalsContact SG-CB 3.55Å; T722-L725 WeakPolarHBondContact OG1-CD1 3.44Å; T722-L725 WeakPolarHBondContact OG1-CG 3.14Å; T722-L725 PolarHBondContact OG1-N 3.37Å; L725-I728 PolarHBondContact O-N 3.03Å; L725-M729 WeakPolarHBondContact O-CG 3.43Å; L725-M729 PolarHBondContact O-N 2.9Å; L725-L750 HydrophobicContact CD2-CD2 3.67Å; L725-I753 HydrophobicContact CD2-CD1 3.81Å; L725-I753 HydrophobicContact CG-CD1 4.21Å
726Y97.1Very high93.8Very high26 Ų2655.4 Ų55.410%0.10229%0.289CS..Hα-helixtrans-74.5-31.6175.9178.9-122000112.7M715 K717 T722 H723 E724 I728 M729 R730 W733M715-Y726 WeakPolarHBondContact O-CE2 3.26Å; M715-Y726 PolarHBondContact O-OH 2.97Å; K717-Y726 HydrophobicContact CB-CD1 3.75Å; K717-Y726 HydrophobicContact CB-CD2 3.97Å; K717-Y726 HydrophobicContact CB-CE1 3.9Å; K717-Y726 HydrophobicContact CB-CE2 4.14Å; K717-Y726 HydrophobicContact CB-CG 3.78Å; K717-Y726 HydrophobicContact CD-CD1 4.18Å; K717-Y726 HydrophobicContact CD-CG 4.24Å; K717-Y726 HydrophobicContact CG-CD1 3.88Å; K717-Y726 HydrophobicContact CG-CD2 4.1Å; K717-Y726 HydrophobicContact CG-CG 3.63Å; T722-Y726 PolarHBondContact O-N 2.82Å; H723-Y726 WeakPolarHBondContact O-CB 3.23Å; H723-Y726 PolarHBondContact O-N 3.22Å; H723-Y726 VanDerWaalsContact O-N 3.16Å; E724-Y726 PolarHBondContact O-N 2.94Å; Y726-I728 VanDerWaalsContact C-N 3.34Å; Y726-M729 HydrophobicContact CD2-CB 4.42Å; Y726-M729 HydrophobicContact CD2-SD 4.13Å; Y726-M729 WeakPolarHBondContact O-CB 3.37Å; Y726-M729 PolarHBondContact O-N 3.17Å; Y726-R730 HydrophobicContact CD2-CG 4.41Å; Y726-R730 HydrophobicContact CE1-CG 4.19Å; Y726-R730 HydrophobicContact CE2-CG 4.03Å; Y726-R730 WeakPolarHBondContact O-CB 3.45Å; Y726-R730 VanDerWaalsContact O-CG 3.27Å; Y726-R730 WeakPolarHBondContact O-CG 3.33Å; Y726-R730 PolarHBondContact O-N 3.47Å; Y726-W733 HydrophobicContact CE2-CZ3 4.42Å
727M97.3Very high93.9Very high61 Ų6151.1 Ų51.130%0.327%0.269SS..Hα-helixtrans-63.3-42.7168.8-64.9-56.897.700110.5H723 E724 M729 R730 E731H723-M727 WeakPolarHBondContact O-CG 3.41Å; H723-M727 PolarHBondContact O-N 3.4Å; E724-M727 WeakPolarHBondContact O-CB 3.2Å; E724-M727 PolarHBondContact O-N 3.47Å; M727-M729 VanDerWaalsContact C-N 3.32Å; M727-M729 PolarHBondContact O-N 3.48Å; M727-R730 HydrophobicContact CE-CG 4.36Å; M727-R730 CarbonylContact O-C 3.6Å; M727-R730 WeakPolarHBondContact O-CA 3.43Å; M727-R730 WeakPolarHBondContact O-CB 3.29Å; M727-R730 PolarHBondContact O-N 2.98Å; M727-E731 WeakPolarHBondContact O-CG 3.42Å; M727-E731 PolarHBondContact O-N 3.24Å
728I98Very high93.8Very high9 Ų951.7 Ų51.75%0.04628%0.284CS..Hα-helixtrans-57.5-43173.3-63.8172.4000111.5L686 E724 L725 Y726 R730 E731 C732 L746 D749 I753L686-I728 HydrophobicContact CD1-CG2 4.04Å; E724-I728 PolarHBondContact O-N 3.31Å; L725-I728 PolarHBondContact O-N 3.03Å; Y726-I728 VanDerWaalsContact C-N 3.34Å; I728-R730 PolarHBondContact O-N 3.29Å; I728-E731 PolarHBondContact O-N 3.46Å; I728-C732 PolarHBondContact O-N 3Å; I728-C732 PolarHBondContact O-SG 3.07Å; I728-L746 HydrophobicContact CG2-CD2 3.4Å; I728-L746 VanDerWaalsContact CG2-CD2 3.4Å; I728-D749 HydrophobicContact CD1-CB 4.13Å; I728-I753 HydrophobicContact CD1-CD1 3.73Å
729M98.4Very high94Very high0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-60.4-43.2172.7-65.1174.5-160.300112.1L686 W687 F690 P718 C721 L725 Y726 M727 C732 W733L686-M729 HydrophobicContact CB-CE 3.96Å; L686-M729 HydrophobicContact CB-CG 3.8Å; L686-M729 HydrophobicContact CB-SD 4.43Å; L686-M729 HydrophobicContact CD1-CG 4.02Å; W687-M729 HydrophobicContact CB-SD 4.14Å; F690-M729 HydrophobicContact CB-CE 4.15Å; F690-M729 HydrophobicContact CD2-CE 3.65Å; F690-M729 HydrophobicContact CG-CE 4.2Å; P718-M729 HydrophobicContact CG-CE 4.27Å; P718-M729 HydrophobicContact CG-SD 4.45Å; C721-M729 VanDerWaalsContact SG-CE 3.56Å; L725-M729 WeakPolarHBondContact O-CG 3.43Å; L725-M729 PolarHBondContact O-N 2.9Å; Y726-M729 HydrophobicContact CD2-CB 4.42Å; Y726-M729 HydrophobicContact CD2-SD 4.13Å; Y726-M729 WeakPolarHBondContact O-CB 3.37Å; Y726-M729 PolarHBondContact O-N 3.17Å; M727-M729 VanDerWaalsContact C-N 3.32Å; M727-M729 PolarHBondContact O-N 3.48Å; M729-C732 WeakPolarHBondContact O-CB 3.46Å; M729-C732 PolarHBondContact O-N 2.95Å; M729-W733 HydrophobicContact CB-CE3 4.43Å; M729-W733 HydrophobicContact CB-CH2 3.92Å; M729-W733 HydrophobicContact CB-CZ2 4.24Å; M729-W733 HydrophobicContact CB-CZ3 4.04Å; M729-W733 VanDerWaalsContact O-CD2 3.23Å; M729-W733 PolarHBondContact O-N 3.05Å; M729-W733 HydrophobicContact SD-CH2 4.34Å
730R97.4Very high94.6Very high117 Ų11753.3 Ų53.344%0.44228%0.276SS..Hα-helixtrans-66.1-37.9-179.8-74.6-71.9-59.5-84.2-7.6112.7Y726 M727 I728 W733 H734Y726-R730 HydrophobicContact CD2-CG 4.41Å; Y726-R730 HydrophobicContact CE1-CG 4.19Å; Y726-R730 HydrophobicContact CE2-CG 4.03Å; Y726-R730 WeakPolarHBondContact O-CB 3.45Å; Y726-R730 VanDerWaalsContact O-CG 3.27Å; Y726-R730 WeakPolarHBondContact O-CG 3.33Å; Y726-R730 PolarHBondContact O-N 3.47Å; M727-R730 HydrophobicContact CE-CG 4.36Å; M727-R730 CarbonylContact O-C 3.6Å; M727-R730 WeakPolarHBondContact O-CA 3.43Å; M727-R730 WeakPolarHBondContact O-CB 3.29Å; M727-R730 PolarHBondContact O-N 2.98Å; I728-R730 PolarHBondContact O-N 3.29Å; R730-W733 CarbonylContact O-C 3.57Å; R730-W733 PolarHBondContact O-N 3.03Å; R730-H734 PolarHBondContact O-N 3.22Å
731E97.9Very high95.5Very high95 Ų9551.1 Ų51.144%0.44427%0.265SS..Hα-helixtrans-67.4-41.8173.3-69.4169.417700111.3M727 I728 W733 H734 P741M727-E731 WeakPolarHBondContact O-CG 3.42Å; M727-E731 PolarHBondContact O-N 3.24Å; I728-E731 PolarHBondContact O-N 3.46Å; E731-W733 PolarHBondContact O-N 2.84Å; E731-H734 VanDerWaalsContact O-CB 3.29Å; E731-H734 WeakPolarHBondContact O-CB 3.4Å; E731-H734 PolarHBondContact O-N 3.48Å; E731-H734 VanDerWaalsContact O-N 3.07Å; E731-P741 HydrophobicContact CB-CG 4.38Å
732C98.6Very high95.9Very high0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-58.5-33.2170.3-67.80000112.4V679 W680 I728 M729 H734 R740V679-C732 HydrophobicContact CG1-CB 4.09Å; W680-C732 WeakPolarHBondContact CA-O 3.33Å; I728-C732 PolarHBondContact O-N 3Å; I728-C732 PolarHBondContact O-SG 3.07Å; M729-C732 WeakPolarHBondContact O-CB 3.46Å; M729-C732 PolarHBondContact O-N 2.95Å; C732-H734 VanDerWaalsContact C-N 3.33Å; C732-R740 VanDerWaalsContact O-CD 3.23Å; C732-R740 WeakPolarHBondContact O-CD 3.43Å
733W98.3Very high96.2Very high1 Ų151.2 Ų51.20%0.00427%0.265CS..THydrogen-bonded Turntrans-92.822176-52.7-38.2000114.8W680 G683 V684 W687 R714 M715 Y726 M729 R730 E731 A735W680-W733 HydrophobicContact CD2-CB 4.49Å; W680-W733 AromaticContact CD2-CD1 3.82Å; W680-W733 AromaticContact CE2-CD1 3.94Å; W680-W733 VanDerWaalsContact CE3-CA 3.5Å; W680-W733 HydrophobicContact CE3-CB 4.04Å; W680-W733 HydrophobicContact CH2-CB 4.14Å; W680-W733 HydrophobicContact CZ3-CB 3.85Å; W680-W733 WeakPolarHBondContact CZ3-O 3.23Å; W680-W733 PolarHBondContact O-NE1 3.4Å; G683-W733 VanDerWaalsContact C-NE1 3.3Å; G683-W733 WeakPolarHBondContact O-CZ2 3.29Å; V684-W733 HydrophobicContact CG2-CZ2 4.43Å; W687-W733 HydrophobicContact CB-CH2 4.08Å; W687-W733 HydrophobicContact CB-CZ2 4.06Å; W687-W733 AromaticContact CD1-CH2 3.95Å; W687-W733 HydrophobicContact CG-CH2 4.27Å; R714-W733 HydrophobicContact CB-CE3 4.08Å; R714-W733 HydrophobicContact CG-CE3 4.43Å; R714-W733 PolarHBondContact NE-O 3.07Å; R714-W733 PolarHBondContact NH2-O 3.14Å; M715-W733 HydrophobicContact CB-CH2 4.08Å; M715-W733 HydrophobicContact CB-CZ3 4.27Å; M715-W733 HydrophobicContact CE-CH2 3.5Å; M715-W733 VanDerWaalsContact CE-CH2 3.5Å; M715-W733 HydrophobicContact CE-CZ2 3.27Å; M715-W733 HydrophobicContact CE-CZ3 4.47Å; Y726-W733 HydrophobicContact CE2-CZ3 4.42Å; M729-W733 HydrophobicContact CB-CE3 4.43Å; M729-W733 HydrophobicContact CB-CH2 3.92Å; M729-W733 HydrophobicContact CB-CZ2 4.24Å; M729-W733 HydrophobicContact CB-CZ3 4.04Å; M729-W733 VanDerWaalsContact O-CD2 3.23Å; M729-W733 PolarHBondContact O-N 3.05Å; M729-W733 HydrophobicContact SD-CH2 4.34Å; R730-W733 CarbonylContact O-C 3.57Å; R730-W733 PolarHBondContact O-N 3.03Å; E731-W733 PolarHBondContact O-N 2.84Å; W733-A735 PolarHBondContact O-N 2.87Å
734H97.1Very high96.6Very high66 Ų6652.2 Ų52.231%0.30626%0.264SS..  trans-60.7138.5173.3-163.1-87.4000111R730 E731 C732 I736 Q739 R740R730-H734 PolarHBondContact O-N 3.22Å; E731-H734 VanDerWaalsContact O-CB 3.29Å; E731-H734 WeakPolarHBondContact O-CB 3.4Å; E731-H734 PolarHBondContact O-N 3.48Å; E731-H734 VanDerWaalsContact O-N 3.07Å; C732-H734 VanDerWaalsContact C-N 3.33Å; H734-I736 PolarHBondContact ND1-N 3.36Å; H734-I736 VanDerWaalsContact ND1-N 3.15Å; H734-I736 PolarHBondContact ND1-O 3.38Å; H734-Q739 PolarHBondContact CE1-OE1 3.25Å; H734-Q739 PolarHBondContact ND1-OE1 3.5Å; H734-Q739 PolarHBondContact NE2-OE1 2.88Å; H734-R740 HydrophobicContact CB-CG 3.89Å; H734-R740 PolarHBondContact O-NE 3Å; H734-R740 PolarHBondContact O-NH2 3.46Å
735A91.6Very high96.8Very high60 Ų6052.1 Ų52.150%0.49626%0.263SS..SBendtrans-63.4-46.4-175.900000111.6W733 P737 R740W733-A735 PolarHBondContact O-N 2.87Å; A735-P737 WeakPolarHBondContact O-CD 3.4Å; A735-R740 PolarHBondContact O-NH2 3.15Å
736I91.4Very high96.9Very high81 Ų8152 Ų5242%0.41526%0.263SS..SBendtrans-77.9118.8175-58.3173.2000109.1H734 S738 Q739H734-I736 PolarHBondContact ND1-N 3.36Å; H734-I736 VanDerWaalsContact ND1-N 3.15Å; H734-I736 PolarHBondContact ND1-O 3.38Å; I736-S738 VanDerWaalsContact C-N 3.34Å; I736-S738 WeakPolarHBondContact CG2-OG 3.49Å; I736-S738 PolarHBondContact O-N 2.88Å; I736-Q739 HydrophobicContact CB-CB 4.48Å; I736-Q739 HydrophobicContact CB-CG 4.33Å; I736-Q739 HydrophobicContact CG2-CG 4.19Å; I736-Q739 PolarHBondContact O-N 2.71Å
737P93.8Very high97Very high37 Ų3751.6 Ų51.624%0.2426%0.263CS..G310 helixtrans-62.9-33.3-174.1-24.333.8000114.9E666 Q676 A735 Q739 R740E666-P737 HydrophobicContact CG-CG 4.01Å; Q676-P737 HydrophobicContact CB-CB 3.76Å; Q676-P737 WeakPolarHBondContact CB-O 3.43Å; Q676-P737 HydrophobicContact CG-CB 4.44Å; Q676-P737 WeakPolarHBondContact CG-O 3.27Å; Q676-P737 PolarHBondContact NE2-O 3.06Å; A735-P737 WeakPolarHBondContact O-CD 3.4Å; P737-Q739 PolarHBondContact O-N 2.94Å; P737-R740 WeakPolarHBondContact O-CB 3.49Å; P737-R740 PolarHBondContact O-N 3.42Å
738S93.5Very high97Very high101 Ų10153 Ų5371%0.70627%0.269SS*.G310 helixtrans-72.7-9.4179.353.40000114.5I736I736-S738 VanDerWaalsContact C-N 3.34Å; I736-S738 WeakPolarHBondContact CG2-OG 3.49Å; I736-S738 PolarHBondContact O-N 2.88Å
739Q96.6Very high96.9Very high116 Ų11654.3 Ų54.354%0.54228%0.276SS..G310 helixtrans-99.9-2.5174.4-66-178.9-1.500112.6H734 I736 P737H734-Q739 PolarHBondContact CE1-OE1 3.25Å; H734-Q739 PolarHBondContact ND1-OE1 3.5Å; H734-Q739 PolarHBondContact NE2-OE1 2.88Å; I736-Q739 HydrophobicContact CB-CB 4.48Å; I736-Q739 HydrophobicContact CB-CG 4.33Å; I736-Q739 HydrophobicContact CG2-CG 4.19Å; I736-Q739 PolarHBondContact O-N 2.71Å; P737-Q739 PolarHBondContact O-N 2.94Å
740R98.4Very high96.9Very high6 Ų654.3 Ų54.32%0.02328%0.276CS..SBendtrans-75.2146.3168.3-55.3172.4-171.1151.111.8109E666 Q676 V679 C732 H734 A735 P737E666-R740 IonicContact OE1-CZ 2.77Å; E666-R740 IonicContact OE1-NH1 3.32Å; E666-R740 PolarHBondContact OE1-NH1 3.32Å; E666-R740 IonicContact OE1-NH2 3.15Å; E666-R740 IonicContact OE2-CZ 2.72Å; E666-R740 IonicContact OE2-NH1 3.49Å; E666-R740 PolarHBondContact OE2-NH1 3.22Å; E666-R740 IonicContact OE2-NH2 2.75Å; E666-R740 PolarHBondContact OE2-NH2 3.5Å; Q676-R740 PolarHBondContact NE2-O 3.17Å; Q676-R740 WeakPolarHBondContact O-CD 3.49Å; Q676-R740 PolarHBondContact O-NH1 3.42Å; V679-R740 HydrophobicContact CG1-CB 3.89Å; C732-R740 VanDerWaalsContact O-CD 3.23Å; C732-R740 WeakPolarHBondContact O-CD 3.43Å; H734-R740 HydrophobicContact CB-CG 3.89Å; H734-R740 PolarHBondContact O-NE 3Å; H734-R740 PolarHBondContact O-NH2 3.46Å; A735-R740 PolarHBondContact O-NH2 3.15Å; P737-R740 WeakPolarHBondContact O-CB 3.49Å; P737-R740 PolarHBondContact O-N 3.42Å
741P98.3Very high96.8Very high13 Ų1352.3 Ų52.38%0.08427%0.274CS..PPolyproline II helixtrans-62.3152.5175.927.7-35.6000110.6V679 E731 Q745 L746V679-P741 HydrophobicContact CG1-CG 4.41Å; V679-P741 WeakPolarHBondContact CG1-O 3.25Å; V679-P741 WeakPolarHBondContact CG2-O 3.42Å; E731-P741 HydrophobicContact CB-CG 4.38Å; P741-Q745 HydrophobicContact CB-CB 4.24Å; P741-L746 HydrophobicContact CB-CD2 4.24Å; P741-L746 HydrophobicContact CB-CG 4.13Å; P741-L746 HydrophobicContact CG-CD1 4.34Å; P741-L746 HydrophobicContact CG-CD2 3.72Å; P741-L746 HydrophobicContact CG-CG 3.96Å
742T98.3Very high96.6Very high60 Ų6053.1 Ų53.137%0.36827%0.273SS..PPolyproline II helixtrans-77.8158.2168.960.90000110.4R744 Q745 L746T742-R744 PolarHBondContact O-N 2.95Å; T742-Q745 PolarHBondContact O-N 3.25Å; T742-Q745 WeakPolarHBondContact OG1-CG 3.4Å; T742-Q745 PolarHBondContact OG1-N 2.91Å; T742-Q745 PolarHBondContact OG1-OE1 3.37Å; T742-L746 PolarHBondContact O-N 2.88Å
743F98.6Very high96.3Very high6 Ų653.4 Ų53.43%0.02627%0.274CS..Hα-helixtrans-57.5-30.6174.8-77.9-63.6000113.7M607 E608 A611 D678 V679 Y682 L746 V747M607-F743 HydrophobicContact CB-CD1 3.39Å; M607-F743 HydrophobicContact CB-CD2 3.9Å; M607-F743 HydrophobicContact CB-CE1 3.34Å; M607-F743 HydrophobicContact CB-CE2 3.85Å; M607-F743 HydrophobicContact CB-CG 3.68Å; M607-F743 HydrophobicContact CB-CZ 3.59Å; M607-F743 HydrophobicContact CE-CE2 3.75Å; M607-F743 HydrophobicContact CE-CZ 3.7Å; M607-F743 HydrophobicContact CG-CD1 4.32Å; M607-F743 HydrophobicContact CG-CE1 3.8Å; M607-F743 HydrophobicContact CG-CZ 3.92Å; E608-F743 HydrophobicContact CB-CB 3.96Å; A611-F743 HydrophobicContact CB-CD2 4.35Å; D678-F743 HydrophobicContact CB-CE2 3.9Å; D678-F743 HydrophobicContact CB-CZ 3.98Å; V679-F743 HydrophobicContact CB-CZ 4.39Å; V679-F743 HydrophobicContact CG2-CD1 4.43Å; V679-F743 HydrophobicContact CG2-CD2 3.91Å; V679-F743 HydrophobicContact CG2-CE1 4.18Å; V679-F743 HydrophobicContact CG2-CE2 3.63Å; V679-F743 HydrophobicContact CG2-CG 4.3Å; V679-F743 HydrophobicContact CG2-CZ 3.77Å; Y682-F743 HydrophobicContact CD1-CE1 4.25Å; Y682-F743 HydrophobicContact CD2-CE1 4.1Å; Y682-F743 AromaticContact CG-CE1 3.74Å; Y682-F743 HydrophobicContact CG-CE1 3.74Å; F743-L746 HydrophobicContact CD1-CD1 3.87Å; F743-L746 HydrophobicContact CE1-CD1 4.18Å; F743-L746 PolarHBondContact O-N 3.32Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.37Å
744R98.1Very high96Very high151 Ų15154.8 Ų54.857%0.5728%0.282SS*.Hα-helixtrans-62.1-48.7172.1176.6177.7166.7146.38.7112.2E608 T742 L746 V747 E748E608-R744 HydrophobicContact CG-CB 4.39Å; E608-R744 WeakPolarHBondContact OE1-CA 3.49Å; E608-R744 WeakPolarHBondContact OE1-CB 3.47Å; E608-R744 WeakPolarHBondContact OE1-CG 3.3Å; T742-R744 PolarHBondContact O-N 2.95Å; R744-L746 VanDerWaalsContact C-N 3.32Å; R744-L746 PolarHBondContact O-N 2.93Å; R744-V747 WeakPolarHBondContact O-CB 3.37Å; R744-V747 PolarHBondContact O-N 3.26Å; R744-E748 IonicContact CZ-OE1 3.7Å; R744-E748 VanDerWaalsContact CZ-OE1 3.28Å; R744-E748 IonicContact NE-OE1 2.94Å; R744-E748 PolarHBondContact NE-OE1 3.5Å; R744-E748 IonicContact NH2-OE1 2.88Å; R744-E748 PolarHBondContact NH2-OE1 3.36Å; R744-E748 WeakPolarHBondContact O-CG 3.36Å; R744-E748 PolarHBondContact O-N 3.44Å
745Q98.2Very high95.7Very high87 Ų8754.6 Ų54.641%0.40729%0.287SS..Hα-helixtrans-61.7-42.6177-70.9162.8-67.700110.8P741 T742 V747 E748 D749P741-Q745 HydrophobicContact CB-CB 4.24Å; T742-Q745 PolarHBondContact O-N 3.25Å; T742-Q745 WeakPolarHBondContact OG1-CG 3.4Å; T742-Q745 PolarHBondContact OG1-N 2.91Å; T742-Q745 PolarHBondContact OG1-OE1 3.37Å; Q745-V747 VanDerWaalsContact C-N 3.29Å; Q745-V747 PolarHBondContact O-N 2.97Å; Q745-E748 CarbonylContact O-C 3.59Å; Q745-E748 PolarHBondContact O-N 3.29Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; Q745-D749 PolarHBondContact O-N 2.92Å
746L98.6Very high95.3Very high0 Ų056.9 Ų56.90%029%0.289CS..Hα-helixtrans-58.5-38174.4-68.8169.3000112.9A604 V679 Y682 I728 P741 T742 F743 R744 L750A604-L746 HydrophobicContact CB-CB 4.48Å; V679-L746 HydrophobicContact CG1-CD1 4.23Å; Y682-L746 HydrophobicContact CD1-CD1 3.68Å; Y682-L746 HydrophobicContact CE1-CD1 3.94Å; Y682-L746 HydrophobicContact CE1-CD2 4.35Å; I728-L746 HydrophobicContact CG2-CD2 3.4Å; I728-L746 VanDerWaalsContact CG2-CD2 3.4Å; P741-L746 HydrophobicContact CB-CD2 4.24Å; P741-L746 HydrophobicContact CB-CG 4.13Å; P741-L746 HydrophobicContact CG-CD1 4.34Å; P741-L746 HydrophobicContact CG-CD2 3.72Å; P741-L746 HydrophobicContact CG-CG 3.96Å; T742-L746 PolarHBondContact O-N 2.88Å; F743-L746 HydrophobicContact CD1-CD1 3.87Å; F743-L746 HydrophobicContact CE1-CD1 4.18Å; F743-L746 PolarHBondContact O-N 3.32Å; R744-L746 VanDerWaalsContact C-N 3.32Å; R744-L746 PolarHBondContact O-N 2.93Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.49Å; L746-L750 WeakPolarHBondContact O-CD1 3.34Å; L746-L750 WeakPolarHBondContact O-CG 3.4Å; L746-L750 PolarHBondContact O-N 3.49Å
747V98.6Very high94.8Very high17 Ų1754.2 Ų54.210%0.10328%0.277CS..Hα-helixtrans-65.7-47.9172.5170.20000110.8Y601 A604 R605 E608 F743 R744 Q745 D749 L750 D751Y601-V747 HydrophobicContact CE2-CG1 4.04Å; A604-V747 HydrophobicContact CB-CG2 3.69Å; R605-V747 HydrophobicContact CB-CG2 4.33Å; R605-V747 HydrophobicContact CG-CB 4.43Å; R605-V747 HydrophobicContact CG-CG1 3.8Å; R605-V747 HydrophobicContact CG-CG2 3.66Å; E608-V747 HydrophobicContact CB-CG2 4.2Å; F743-V747 WeakPolarHBondContact O-CG2 3.35Å; F743-V747 PolarHBondContact O-N 3.37Å; R744-V747 WeakPolarHBondContact O-CB 3.37Å; R744-V747 PolarHBondContact O-N 3.26Å; Q745-V747 VanDerWaalsContact C-N 3.29Å; Q745-V747 PolarHBondContact O-N 2.97Å; V747-D749 PolarHBondContact O-N 3.3Å; V747-L750 PolarHBondContact O-N 2.97Å; V747-D751 VanDerWaalsContact O-CB 3.3Å; V747-D751 WeakPolarHBondContact O-CB 3.36Å; V747-D751 PolarHBondContact O-N 3.4Å
748E97.7Very high93.6Very high90 Ų9054.9 Ų54.942%0.42128%0.282SS..Hα-helixtrans-61.8-37.7179.5-69.8172.1-179.500112.7R744 Q745 R752R744-E748 IonicContact CZ-OE1 3.7Å; R744-E748 VanDerWaalsContact CZ-OE1 3.28Å; R744-E748 IonicContact NE-OE1 2.94Å; R744-E748 PolarHBondContact NE-OE1 3.5Å; R744-E748 IonicContact NH2-OE1 2.88Å; R744-E748 PolarHBondContact NH2-OE1 3.36Å; R744-E748 WeakPolarHBondContact O-CG 3.36Å; R744-E748 PolarHBondContact O-N 3.44Å; Q745-E748 CarbonylContact O-C 3.59Å; Q745-E748 PolarHBondContact O-N 3.29Å; Q745-E748 VanDerWaalsContact O-N 3.09Å; E748-R752 PolarHBondContact O-N 2.77Å
749D96.4Very high92Very high36 Ų3654 Ų5419%0.19327%0.273CS..Hα-helixtrans-74.4-42.5176.7-69.5-44.5000112.4I728 Q745 V747 R752 I753I728-D749 HydrophobicContact CD1-CB 4.13Å; Q745-D749 PolarHBondContact O-N 2.92Å; V747-D749 PolarHBondContact O-N 3.3Å; D749-R752 WeakPolarHBondContact O-CB 3.39Å; D749-R752 PolarHBondContact O-N 3Å; D749-R752 IonicContact OD1-CZ 3.46Å; D749-R752 IonicContact OD1-NH1 2.89Å; D749-R752 PolarHBondContact OD1-NH1 2.94Å; D749-R752 IonicContact OD1-NH2 3.39Å; D749-R752 PolarHBondContact OD1-NH2 3.31Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.45Å; D749-I753 VanDerWaalsContact O-N 3.09Å
750L96.8Very high90.1Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-71.7-31.9179.2-70.6166.6000112.7A600 Y601 A604 Y682 L725 L746 V747 R752 I753 L754A600-L750 HydrophobicContact CB-CD1 4.24Å; A600-L750 HydrophobicContact CB-CD2 4.31Å; Y601-L750 HydrophobicContact CD2-CB 4.08Å; A604-L750 HydrophobicContact CB-CD1 3.97Å; Y682-L750 HydrophobicContact CE1-CD1 4.47Å; Y682-L750 WeakPolarHBondContact OH-CD1 3.42Å; L725-L750 HydrophobicContact CD2-CD2 3.67Å; L746-L750 VanDerWaalsContact O-CB 3.26Å; L746-L750 WeakPolarHBondContact O-CB 3.49Å; L746-L750 WeakPolarHBondContact O-CD1 3.34Å; L746-L750 WeakPolarHBondContact O-CG 3.4Å; L746-L750 PolarHBondContact O-N 3.49Å; V747-L750 PolarHBondContact O-N 2.97Å; L750-R752 VanDerWaalsContact C-N 3.33Å; L750-I753 PolarHBondContact O-N 2.93Å; L750-L754 VanDerWaalsContact O-CB 3.26Å; L750-L754 WeakPolarHBondContact O-CB 3.45Å; L750-L754 PolarHBondContact O-N 2.82Å
751D95.3Very high87.7Confident75 Ų7559.1 Ų59.140%0.40130%0.3SS..Hα-helixtrans-61.7-42.7171.6-156.677.2000110.7Y601 V747 L754 S755Y601-D751 HydrophobicContact CD2-CB 4.33Å; Y601-D751 HydrophobicContact CE2-CB 3.72Å; Y601-D751 WeakPolarHBondContact CE2-OD1 3.43Å; Y601-D751 PolarHBondContact OH-OD1 3.34Å; V747-D751 VanDerWaalsContact O-CB 3.3Å; V747-D751 WeakPolarHBondContact O-CB 3.36Å; V747-D751 PolarHBondContact O-N 3.4Å; D751-L754 PolarHBondContact O-N 3.23Å; D751-S755 WeakPolarHBondContact O-CB 3.47Å; D751-S755 PolarHBondContact O-N 3.02Å; D751-S755 PolarHBondContact O-OG 3.01Å
752R94.6Very high85.1Confident113 Ų11368.4 Ų68.443%0.42634%0.335SS..Hα-helixtrans-59.2-53.4175.1-166.3-169-50.6123.915111.1E748 D749 L750 L754 S755 M756E748-R752 PolarHBondContact O-N 2.77Å; D749-R752 WeakPolarHBondContact O-CB 3.39Å; D749-R752 PolarHBondContact O-N 3Å; D749-R752 IonicContact OD1-CZ 3.46Å; D749-R752 IonicContact OD1-NH1 2.89Å; D749-R752 PolarHBondContact OD1-NH1 2.94Å; D749-R752 IonicContact OD1-NH2 3.39Å; D749-R752 PolarHBondContact OD1-NH2 3.31Å; L750-R752 VanDerWaalsContact C-N 3.33Å; R752-L754 VanDerWaalsContact C-N 3.31Å; R752-L754 PolarHBondContact O-N 3.18Å; R752-S755 PolarHBondContact O-N 3.32Å; R752-S755 PolarHBondContact O-OG 2.93Å; R752-M756 HydrophobicContact CG-SD 4.36Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.24Å
753I93.2Very high82.4Confident6 Ų671.9 Ų71.93%0.03135%0.351CS..Hα-helixtrans-59.8-41.5179.4-64.4167.9000111.1V597 E724 L725 I728 D749 L750 M756 T757V597-I753 HydrophobicContact CG1-CB 4.44Å; V597-I753 HydrophobicContact CG1-CG2 4.02Å; V597-I753 HydrophobicContact CG2-CG2 4.2Å; E724-I753 HydrophobicContact CG-CD1 4.06Å; L725-I753 HydrophobicContact CD2-CD1 3.81Å; L725-I753 HydrophobicContact CG-CD1 4.21Å; I728-I753 HydrophobicContact CD1-CD1 3.73Å; D749-I753 WeakPolarHBondContact O-CG1 3.46Å; D749-I753 PolarHBondContact O-N 3.45Å; D749-I753 VanDerWaalsContact O-N 3.09Å; L750-I753 PolarHBondContact O-N 2.93Å; I753-M756 PolarHBondContact O-N 2.79Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 PolarHBondContact O-N 3.38Å; I753-T757 PolarHBondContact O-OG1 2.84Å
754L91.9Very high79.5Confident30 Ų3076.8 Ų76.816%0.15738%0.378CS..Hα-helixtrans-67-38178.9-170.663.8000112.6K594 V597 Y601 L750 D751 R752 S758K594-L754 HydrophobicContact CG-CD1 4.02Å; V597-L754 HydrophobicContact CB-CD1 4.29Å; V597-L754 HydrophobicContact CG1-CB 3.97Å; V597-L754 HydrophobicContact CG1-CD1 4.04Å; Y601-L754 HydrophobicContact CD1-CD2 4.2Å; Y601-L754 HydrophobicContact CG-CD2 4.41Å; L750-L754 VanDerWaalsContact O-CB 3.26Å; L750-L754 WeakPolarHBondContact O-CB 3.45Å; L750-L754 PolarHBondContact O-N 2.82Å; D751-L754 PolarHBondContact O-N 3.23Å; R752-L754 VanDerWaalsContact C-N 3.31Å; R752-L754 PolarHBondContact O-N 3.18Å; L754-S758 WeakPolarHBondContact O-CB 3.27Å; L754-S758 PolarHBondContact O-N 3.15Å; L754-S758 VanDerWaalsContact O-N 3.09Å; L754-S758 PolarHBondContact O-OG 3.16Å
755S89.4Confident76.7Confident61 Ų6177.9 Ų77.943%0.42739%0.394SS..Hα-helixtrans-70.4-37.1177.269.60000112.9D751 R752 S758 T759D751-S755 WeakPolarHBondContact O-CB 3.47Å; D751-S755 PolarHBondContact O-N 3.02Å; D751-S755 PolarHBondContact O-OG 3.01Å; R752-S755 PolarHBondContact O-N 3.32Å; R752-S755 PolarHBondContact O-OG 2.93Å; S755-S758 PolarHBondContact O-N 3.43Å; S755-T759 PolarHBondContact O-N 2.69Å; S755-T759 PolarHBondContact O-OG1 2.75Å
756M84.8Confident73.8Confident108 Ų10878.4 Ų78.453%0.53241%0.407SS..Hα-helixtrans-65.5-49.3172.8-68.2178.36800111.1R752 I753 S758 T759 D760R752-M756 HydrophobicContact CG-SD 4.36Å; R752-M756 WeakPolarHBondContact O-CG 3.34Å; R752-M756 PolarHBondContact O-N 3.24Å; I753-M756 PolarHBondContact O-N 2.79Å; M756-S758 PolarHBondContact O-N 3.48Å; M756-S758 VanDerWaalsContact O-N 3.14Å; M756-T759 WeakPolarHBondContact O-CB 3.31Å; M756-T759 PolarHBondContact O-N 3.39Å; M756-D760 PolarHBondContact O-N 2.81Å
757T79.9Confident70.7Confident26 Ų2684.7 Ų84.716%0.1645%0.445CS..Hα-helixtrans-56.8-32.3176.7-51.10000112.5F593 K594 I753 T759F593-T757 HydrophobicContact CD1-CG2 4.13Å; K594-T757 HydrophobicContact CB-CG2 3.88Å; K594-T757 HydrophobicContact CG-CG2 4.1Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 PolarHBondContact O-N 3.38Å; I753-T757 PolarHBondContact O-OG1 2.84Å; T757-T759 VanDerWaalsContact C-N 3.29Å; T757-T759 PolarHBondContact O-N 3.4Å
758S69.6Low68.3Low50 Ų5089 Ų8935%0.3547%0.473SS..Hα-helixtrans-78-12.6177.8-56.30000113.9K594 L754 S755 M756K594-S758 VanDerWaalsContact CE-OG 3.26Å; K594-S758 WeakPolarHBondContact CE-OG 3.48Å; L754-S758 WeakPolarHBondContact O-CB 3.27Å; L754-S758 PolarHBondContact O-N 3.15Å; L754-S758 VanDerWaalsContact O-N 3.09Å; L754-S758 PolarHBondContact O-OG 3.16Å; S755-S758 PolarHBondContact O-N 3.43Å; M756-S758 PolarHBondContact O-N 3.48Å; M756-S758 VanDerWaalsContact O-N 3.14Å
759T59.4Low64.9Low83 Ų8393.5 Ų93.551%0.50949%0.492SS..Hα-helixtrans-94.5-36.6-178.7-54.30000111.2S755 M756 T757 E761 Y762S755-T759 PolarHBondContact O-N 2.69Å; S755-T759 PolarHBondContact O-OG1 2.75Å; M756-T759 WeakPolarHBondContact O-CB 3.31Å; M756-T759 PolarHBondContact O-N 3.39Å; T757-T759 VanDerWaalsContact C-N 3.29Å; T757-T759 PolarHBondContact O-N 3.4Å; T759-E761 VanDerWaalsContact C-N 3.28Å; T759-E761 PolarHBondContact O-N 2.99Å; T759-Y762 WeakPolarHBondContact O-CB 3.38Å; T759-Y762 PolarHBondContact O-N 2.89Å
760D55.6Low61.8Low112 Ų11298 Ų9860%0.59951%0.512SS*.Hα-helixtrans-63.1-32.9176.6-70.8-26.7000112.3M756 Y762 L763M756-D760 PolarHBondContact O-N 2.81Å; D760-Y762 PolarHBondContact O-N 3.29Å; D760-Y762 VanDerWaalsContact O-N 3.1Å; D760-L763 PolarHBondContact O-N 3.46Å
761E49.4Very low58.6Low117 Ų117104.4 Ų104.455%0.54754%0.542SS..THydrogen-bonded Turntrans-60.4-16.9172.7-75.1176.7169.900114K594 T759K594-E761 WeakPolarHBondContact CD-OE1 3.44Å; K594-E761 IonicContact NZ-OE1 2.76Å; K594-E761 IonicContact NZ-OE2 2.77Å; K594-E761 PolarHBondContact NZ-OE2 3.3Å; T759-E761 VanDerWaalsContact C-N 3.28Å; T759-E761 PolarHBondContact O-N 2.99Å
762Y42.4Very low55.3Low208 Ų208110.4 Ų110.482%0.81656%0.56SS**THydrogen-bonded Turntrans-92.9-9177.2-167.5-98.5000113.3T759 D760T759-Y762 WeakPolarHBondContact O-CB 3.38Å; T759-Y762 PolarHBondContact O-N 2.89Å; D760-Y762 PolarHBondContact O-N 3.29Å; D760-Y762 VanDerWaalsContact O-N 3.1Å
763L41.1Very low52.5Low133 Ų133110.6 Ų110.670%0.69658%0.579SS**THydrogen-bonded Turntrans-109.9-3-175.2-77.4168000114.4D760 L765D760-L763 PolarHBondContact O-N 3.46Å; L763-L765 PolarHBondContact O-N 2.83Å; L763-L765 VanDerWaalsContact O-N 3.11Å
764D39.5Very low49.5Very low110 Ų110115.7 Ų115.759%0.58861%0.612SS**  trans-81.192.1177-164.9-0.7000112.4S766D764-S766 PolarHBondContact OD1-N 2.89Å
765L39.2Very low46.4Very low174 Ų174120 Ų12091%0.91164%0.64SS**  trans-117.546.6167-82.8173.4000110.8L763L763-L765 PolarHBondContact O-N 2.83Å; L763-L765 VanDerWaalsContact O-N 3.11Å
766S36.1Very low43.4Very low97 Ų97122.9 Ų122.968%0.67866%0.659SS**  trans-147.986.8176.153.30000116.2D764D764-S766 PolarHBondContact OD1-N 2.89Å
767V33.6Very low40.6Very low132 Ų132126.4 Ų126.480%0.867%0.674SS**  trans-150.7156.7152.3-111.70000108.8
768P48.2Very low38.2Very low107 Ų107131.8 Ų131.870%0.69570%0.702SS**  cis-134.9168.9-8.138.7-22.1000114.8
769F26.9Very low36.3Very low185 Ų185135.1 Ų135.181%0.81173%0.725SS**  -168.3170.2115.8-132.9-99.3000113.9
770E31.1Very low34.9Very low132 Ų132138.5 Ų138.562%0.61774%0.74SS**  trans-87.6-178.2-162.5-44.5178.4131.700117.7
771Q28.6Very low33.7Very low134 Ų134138.5 Ų138.563%0.62675%0.749SS**  trans71.6107.6146.1-75.4177.93200119.5
772Y27.1Very low32.7Very low200 Ų200139 Ų13978%0.78476%0.761SS**  173.713796.6-104.4-82.4000110.7
773S34.6Very low32Very low118 Ų118134.3 Ų134.383%0.82576%0.756SS**  trans-92140.5163.5-54.30000110.5
774P31.8Very low31.5Very low112 Ų112133.7 Ų133.773%0.72776%0.764SS**  trans-130.3123.5148.723.5-4.8000113.4
775T26Very low31.2Very low122 Ų122134.5 Ų134.575%0.74878%0.777SS**  trans13.5131.4141.653.80000121.1
776C26Very low30.7Very low121 Ų121129.7 Ų129.782%0.81877%0.77SS**  trans47.5145.7135.2-51.40000119.8
777Q27.2Very low30.4Very low181 Ų181132.5 Ų132.585%0.84678%0.778SS**  cis-166.5177.634.7-150.4166.214.500110.7
778D28.6Very low30.4Very low139 Ų139133 Ų13374%0.74378%0.776SS**  trans-61151.6-170.7-52.6-80.8000117.7
779S30.2Very low29.7Very low121 Ų121132.2 Ų132.285%0.84677%0.773SS**  trans-157131.7145.9-81.70000111.9
780N29.7Very low29.9Very low153 Ų153129.3 Ų129.382%0.81877%0.77SS**  trans-77149.1-170.1-59.1-58.9000114.4
781S31.2Very low29.6Very low113 Ų113133.4 Ų133.479%0.7979%0.786SS**  179.2100.4117.935.40000115.6
782T28.3Very low29.7Very low128 Ų128131 Ų13179%0.78579%0.789SS**  44.5125.1122.6-33.70000123.6
783C27.6Very low29.9Very low108 Ų108129.9 Ų129.973%0.7379%0.79SS**  trans78.3118.114273.60000125.4
784S29.8Very low29.6Very low121 Ų121130.7 Ų130.785%0.84679%0.786SS**  62.4120.8127.2-59.10000122.7
785S34.2Very low29.4Very low126 Ų126130 Ų13088%0.88178%0.783SS**  trans-136146130.952.60000109.6
786G27.7Very low29.4Very low73 Ų73132.1 Ų132.175%0.75379%0.789SS**  trans-115.3-171.3-176.600000113.1
787D30.7Very low30.2Very low157 Ų157130.6 Ų130.684%0.8478%0.778SS**  trans-76.7157.3-162.9-59.1-66.5000117.4
788D32.2Very low30.3Very low143 Ų143129 Ų12977%0.76578%0.775SS**  trans88.3124.9130.9-104.7-37.2000125.6
789S34.2Very low30.4Very low90 Ų90130.8 Ų130.863%0.62978%0.779SS**  trans78.6107.5130.6-79.30000124.7
790V31Very low30.8Very low124 Ų124129.6 Ų129.675%0.75277%0.768SS**  46.1115.2122.2-172.90000120.3
791F26.1Very low30.7Very low218 Ų218128.6 Ų128.696%0.95677%0.772SS**  -159.8161.5129.4-100.9-71.6000110.2
792A29.1Very low30.6Very low82 Ų82131.1 Ų131.168%0.67878%0.776SS**  trans-102166.7-160.800000116
793H32.3Very low31.2Very low178 Ų178130.2 Ų130.282%0.82477%0.772SS**  trans-177.6118.6130.7-94.4-58.9000115.3
794D28.8Very low31.2Very low135 Ų135135.3 Ų135.372%0.72278%0.782SS**  trans30.8110.2140.9-54.6-46.9000125.9
795S27.2Very low31.2Very low97 Ų97138.4 Ų138.468%0.67878%0.783SS**  52.8115.1124.167.60000126.6
796L25.3Very low31.5Very low166 Ų166137.6 Ų137.687%0.86977%0.774SS**  70162.5123.8-71.3-179.5000122.4
797P43.1Very low31.7Very low90 Ų90140 Ų14058%0.58478%0.777SS**  cis-136.6-169.8-12.332.8-9.7000116.6
798D30.3Very low31.8Very low147 Ų147137.3 Ų137.379%0.78677%0.77SS**  trans71.6144.4153.2-59.6-22.7000121.4
799E30.3Very low31.7Very low176 Ų176138.6 Ų138.682%0.82278%0.777SS**  cis-158.4-158.8-27.5-144.9-154.3167.300108.3
800P38.9Very low31.6Very low97 Ų97138.4 Ų138.463%0.6378%0.781SS**  trans-111.1174-137.740.7-23.9000116.1
801C27.5Very low31.6Very low132 Ų132138.7 Ų138.789%0.89278%0.783SS**  trans-176.7125.6137-97.60000114.4
802L29.2Very low32.1Very low166 Ų166134.9 Ų134.987%0.86977%0.771SS**  trans-85.2-176.6156.9-80.4166.7000109.8
803P40.2Very low32.4Very low108 Ų108142 Ų14270%0.70178%0.78SS**  cis-128.8168.1-38.934.8-21000111.9
804K27.2Very low32.8Very low215 Ų215143.7 Ų143.794%0.93580%0.803SS**  trans-145.7116.3155.2-72.1-165.2179.6175.40114.3
805Q30Very low33Very low187 Ų187144.1 Ų144.187%0.87481%0.807SS**  trans-122.8169.4150.5-83.8-171-12.900107.2
806P40.4Very low33.3Very low108 Ų108146.6 Ų146.670%0.70181%0.814SS**  cis-116.6-157.5-41.231.9-14.1000108.8
807P32.5Very low33.7Very low124 Ų124145.5 Ų145.581%0.80581%0.811SS**  -142146.2100.636.6-23.5000114.8
808S31.3Very low33.2Very low101 Ų101148.8 Ų148.871%0.70683%0.825SS**  trans-69.4140.5162.251.60000111.7
809N30.9Very low33.3Very low170 Ų170148.9 Ų148.991%0.90983%0.827SS**  trans-150.3144.3141.7-110.3-22.6000111
810A31.7Very low33.5Very low86 Ų86147.1 Ų147.171%0.71183%0.827SS**  trans-83.6166-174.200000112.5
811V31.9Very low33.2Very low130 Ų130150.6 Ų150.679%0.78884%0.841SS**  168.1107.4111.5161.30000110.8
812I36.3Very low33.6Very low137 Ų137152.1 Ų152.170%0.70384%0.837SS**  trans35.7119.5131.5-53.3179.2000120.1
813R35.3Very low34Very low231 Ų231150.9 Ų150.987%0.87284%0.835SS**  trans58.4118.7150.4-67.9171178169.9-1.8120.1
814T39.9Very low33.4Very low214 Ų214154.8 Ų154.8100%1.31385%0.847SS**  -130.8091.741.10000109.5

Retrieved 814 of 814 residues in 846.7 ms (Link to these results)