A0A087X4Z6_POEFO Loading...

Tectonic family member 1

AlphaFold DB , UniProt , Accession A0A087X4Z6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 605 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
1M31.4Very low35.5Very low253 Ų253139.6 Ų139.6100%1.24681%0.807SS**  0139.40-73.8-167.3-106.200107.9
2A39.6Very low36.1Very low100 Ų100139.8 Ų139.883%0.82680%0.801SS**  trans-73.5148.4-152.700000116.9
3V27.7Very low36.6Very low142 Ų142136.5 Ų136.586%0.86179%0.786SS**  trans-152.7101.2152.6-171.80000106.9
4S28.8Very low37.1Very low105 Ų105134.5 Ų134.573%0.73477%0.769SS**  81.9116.892-158.40000115.6
5V41.5Very low37.3Very low139 Ų139136 Ų13684%0.84276%0.764SS**  trans-94.5105.1-177.6175.60000108.1
6C33.2Very low37.4Very low119 Ų119133.6 Ų133.680%0.80476%0.757SS**  trans-159.78.9170.1-104.60000117
7T36.4Very low37.4Very low121 Ų121133.7 Ų133.774%0.74275%0.754SS**SBendtrans-107.16.2-17441.70000115.7
8V38.8Very low37.4Very low117 Ų117135.3 Ų135.371%0.70975%0.752SS**SBendtrans-96.8-11.2-174.4-175.40000113.7
9W34.9Very low37.5Very low239 Ų239134.6 Ų134.691%0.90575%0.746SS**SBendtrans-97.7-4.2-175.6-87.333.1000115.9
10S37.5Very low37.5Very low78 Ų78136.7 Ų136.755%0.54575%0.749SS.*SBendtrans-91.4-13.5179.3-165.80000114.3
11N40.5Very low37.5Very low123 Ų123136 Ų13666%0.65875%0.749SS**SBendtrans-97.8-5.1-174-73-37.1000114.3
12L42.3Very low37.8Very low142 Ų142131.1 Ų131.174%0.74373%0.726SS**SBendtrans-94.4-24.4179.6-135.677.5000113.3
13T43.1Very low37.6Very low97 Ų97133.8 Ų133.860%0.59573%0.726SS**THydrogen-bonded Turntrans-82.7-24179.324.70000113.5
14I43.6Very low37.9Very low108 Ų108133.3 Ų133.355%0.55472%0.723SS**THydrogen-bonded Turntrans-79.8-26.6179-63.5172.8000111.4
15F39.7Very low38.1Very low157 Ų157135.3 Ų135.369%0.68973%0.731SS**THydrogen-bonded Turntrans-78.5-25179.9-147.9-97000113.5
16C39.6Very low37.7Very low98 Ų98134.3 Ų134.366%0.66273%0.73SS**THydrogen-bonded Turntrans-80.4-17.1177.9-74.30000114.2
17L37.3Very low37.5Very low135 Ų135133.2 Ų133.271%0.70773%0.73SS**THydrogen-bonded Turntrans-85.6-18.1-179.3-121.5134.7000113
18F37.3Very low37.1Very low163 Ų163135.7 Ų135.772%0.71574%0.737SS**SBendtrans-84.8-12.2177.6-97.5-84.5000114.6
19I38.9Very low36.5Very low122 Ų122135.7 Ų135.763%0.62674%0.742SS**SBendtrans-92.1-11.6-179.9-65.9176.6000112.6
20Q37.3Very low36Very low176 Ų176128.5 Ų128.582%0.82273%0.733SS**SBendtrans-91.9-1.4177.5-77.3-131.1-26.700115.6
21V38.7Very low35.4Very low123 Ų123131.3 Ų131.375%0.74575%0.747SS**SBendtrans-104.30.8-177.3-175.90000113.6
22I37.7Very low34.7Very low149 Ų149129.8 Ų129.876%0.76475%0.746SS**SBendtrans-108.213-178.6-58.9-179.8000113.5
23L35Very low33.9Very low157 Ų157130.3 Ų130.382%0.82275%0.75SS**SBendtrans-131.147.4178.8-90.5165.1000114.2
24V33.7Very low33.1Very low132 Ų132130.2 Ų130.280%0.875%0.753SS**  trans-147.493.8156.3-1740000109.4
25T33.3Very low32.3Very low146 Ų146131.5 Ų131.590%0.89677%0.766SS**  trans179.568.2142.736.50000109
26S32.3Very low31.5Very low119 Ų119128.6 Ų128.683%0.83277%0.771SS**  trans-149.795.3156.547.80000109
27A28.8Very low30.8Very low96 Ų96129.9 Ų129.979%0.79378%0.781SS**  trans162.998.4148.700000109.6
28I29.2Very low30.2Very low173 Ų173126.7 Ų126.789%0.88778%0.781SS**  trans-133.6104.7151-58.4179.3000107.2
29S26.4Very low29.7Very low117 Ų117127.5 Ų127.582%0.81878%0.784SS**  trans-151.7128.5154.6-80.80000109.5
30A23.8Very low29.1Very low87 Ų87129.2 Ų129.272%0.71979%0.79SS**  trans63.3111.3155.400000118.8
31T25.5Very low28.5Very low137 Ų137127.1 Ų127.184%0.8478%0.784SS**  174.414792.126.90000112.8
32S26.2Very low27.9Very low91 Ų91127.3 Ų127.364%0.63679%0.791SS**  trans-40.4143.516550.90000117.3
33N24.9Very low27.3Very low154 Ų154125.6 Ų125.682%0.82479%0.787SS**  176.6151.6101.5-104.1-16.4000114.4
34S27Very low26.9Very low95 Ų95124.5 Ų124.566%0.66478%0.783SS**  trans-54.5150.817354.30000116.7
35T25.3Very low26.5Very low135 Ų135128.2 Ų128.283%0.82878%0.782SS**  165.4111129.132.40000107.9
36A24.1Very low26.1Very low95 Ų95129.3 Ų129.379%0.78577%0.771SS**  69.9116.783.800000115.4
37S23.8Very low25.9Very low125 Ų125131.1 Ų131.187%0.87477%0.771SS**  trans113114135.5-163.80000119
38G24.9Very low25.9Very low69 Ų69133.9 Ų133.971%0.71177%0.768SS**  trans87.6146.3134.300000116.5
39K26.3Very low25.8Very low180 Ų180134 Ų13478%0.78377%0.77SS**  cis-177.2158.7-4.4-130.7-176.3-177.6-172.60105.3
40E26.6Very low25.8Very low158 Ų158135 Ų13574%0.73877%0.766SS**  trans71.5147.2152-75.3175.7-157.400117.9
41N24.2Very low25.7Very low132 Ų132136.4 Ų136.471%0.70677%0.77SS**  cis-176.4134.9-21-138.1-5.8000102.2
42S26.7Very low25.7Very low127 Ų127135.9 Ų135.989%0.88877%0.767SS**  trans-155.6111157.2-82.90000110.4
43T25Very low25.9Very low112 Ų112137.1 Ų137.169%0.68777%0.772SS**  trans-75.3145.4177.137.10000113.7
44N26.6Very low25.9Very low135 Ų135136.2 Ų136.272%0.72277%0.772SS**  145.7111.7129.6-78.4-32.9000111.2
45R26.1Very low25.8Very low210 Ų210138.6 Ų138.679%0.79277%0.773SS**  68.4133.489.3-87.2-169.4176.9-162.84.3112
46Y25Very low25.9Very low169 Ų169138.6 Ų138.666%0.66378%0.775SS**  cis-160.9148.29.9-121.7-92.7000103.5
47N26.8Very low25.9Very low156 Ų156137.5 Ų137.583%0.83476%0.762SS**  -178.7153.987.6-106-17.9000110.9
48Q29.9Very low26Very low155 Ų155138.3 Ų138.372%0.72476%0.761SS**  trans-118.1137.4-169.9179.3169.90.700107.4
49D26.5Very low26.1Very low175 Ų175140.6 Ų140.694%0.93676%0.761SS**  trans-138.4134.6160.6-90.9-36.6000109.6
50N25.7Very low26.6Very low138 Ų138137.5 Ų137.574%0.73876%0.76SS**  trans-129137.9-171.6-161.746.8000106.4
51C23.5Very low26.6Very low117 Ų117136.3 Ų136.379%0.79176%0.764SS**  trans169.4126.2133.5-91.30000113.4
52T24.5Very low26.8Very low126 Ų126137.6 Ų137.677%0.77377%0.766SS**  trans-37.4161160.2220000117.7
53P30.5Very low26.8Very low116 Ų116138.7 Ų138.775%0.75376%0.76SS**  -149.8136.688.931.4-9000118.4
54T24.9Very low27.1Very low135 Ų135140.9 Ų140.983%0.82877%0.767SS**  69.4129.9124.2-30.70000123.8
55E25Very low27.9Very low146 Ų146139.7 Ų139.768%0.68277%0.767SS**  trans-51.8168.7173.9-133.7178.7169.900118S57E55-S57 WeakPolarHBondContact OE1-CB 2.92Å
56P27.5Very low27.8Very low134 Ų134138.8 Ų138.887%0.8777%0.772SS**  -136156.18838.3-25.7000115.9
57S23.2Very low27.9Very low72 Ų72134.8 Ų134.850%0.50377%0.774SS.*  trans-117.2149.7-178.81640000110.9E55E55-S57 WeakPolarHBondContact OE1-CB 2.92Å
58V26Very low28.5Very low142 Ų142132.7 Ų132.786%0.86177%0.771SS**  trans-14496.9150.3-169.50000110.9
59T27.3Very low28.4Very low117 Ų117134.4 Ų134.472%0.71878%0.779SS**  trans30.8140.2134.8-21.40000124.3
60P37.8Very low28.7Very low115 Ų115131.7 Ų131.775%0.74777%0.771SS**  trans-113.3-179.2-17941.7-28000114.8
61T26.2Very low29.1Very low134 Ų134133.3 Ų133.382%0.82278%0.779SS**  trans-152.8137168.7-52.70000108.8
62E28.1Very low29.3Very low159 Ų159133.5 Ų133.574%0.74378%0.779SS**  cis-172.5154.7-18.1-172.5-172.915400106.2
63L27.1Very low29.4Very low149 Ų149134.9 Ų134.978%0.7878%0.781SS**  trans125.196.7146.9-79.7124.1000116.7
64L30.5Very low29.6Very low159 Ų159135 Ų13583%0.83279%0.785SS**  trans-93.4175.4138.5-96.7124.5000107.4
65P43.9Very low29.7Very low110 Ų110131.9 Ų131.971%0.71478%0.78SS**  cis-142179.319.338.1-16.5000114.8
66E24.6Very low29.9Very low191 Ų191131 Ų13189%0.89378%0.784SS**  -179.8142.9109.1-154158.9-162.200111.4
67A27.4Very low30Very low85 Ų85131.6 Ų131.670%0.70278%0.779SS**  trans-110.6138.1-174.200000112.5
68S38.3Very low30.4Very low112 Ų112135.8 Ų135.878%0.78380%0.795SS**  trans59.9124.9141.3620000121.4
69Q28.1Very low30.8Very low191 Ų191137.2 Ų137.289%0.89380%0.797SS**  trans-157.7164.2135.7-110.8-172.7-15.100111
70P32.8Very low31.2Very low118 Ų118136 Ų13677%0.76679%0.793SS**  -106.1173.3-127.625.5-5.5000115.4
71L34Very low31.2Very low171 Ų171135.7 Ų135.790%0.89579%0.789SS**  trans-50.6151.8-178.8-71.3151.5000115.4
72P27.2Very low31.7Very low122 Ų122137.1 Ų137.179%0.79279%0.79SS**  trans-116.3152.5135.435.2-25.9000112.8
73D26.6Very low32.6Very low155 Ų155130.9 Ų130.983%0.82977%0.768SS**  trans-69147.2-172.1-95-57.1000116.9
74S35.5Very low33.3Very low118 Ų118124.8 Ų124.883%0.82574%0.739SS**  trans52.9113.3140-68.20000121
75G27Very low33.9Very low70 Ų70120.4 Ų120.472%0.72272%0.717SS**  trans-176.844.8165.500000116.2
76T29.8Very low34.4Very low127 Ų127126 Ų12678%0.77972%0.724SS**  trans57.8102.2141.6-20.80000121
77L29.1Very low36.3Very low146 Ų146120.5 Ų120.576%0.76470%0.7SS**  trans75127.4138.6-63.6175.2000119.8
78L31.1Very low38.5Very low160 Ų160117.1 Ų117.184%0.83867%0.671SS**  cis-151.2125.86.4-90.9159.2000109.1
79L34.9Very low40.4Very low172 Ų172115.7 Ų115.790%0.90166%0.659SS**  trans-105.7114.8161.2-98155.3000107.5
80S35.7Very low42.9Very low91 Ų91107.4 Ų107.464%0.63662%0.622SS**  trans15798.8130.274.40000110.6
81V37.4Very low45.1Very low109 Ų109103.6 Ų103.666%0.66160%0.595SS**  trans-115.782.1142.4-177.40000104.7G83 A84V81-G83 PolarHBondContact O-N 3.28Å; V81-A84 HydrophobicContact CG1-CB 3.68Å
82I37.3Very low47.1Very low165 Ų165103.5 Ų103.585%0.84659%0.59SS**THydrogen-bonded Turntrans-75.8107.8170.6-64.4173.7000105.4
83G46.4Very low49.4Very low27 Ų27101.7 Ų101.728%0.27857%0.574SS.*THydrogen-bonded Turntrans108.122.9163.200000117.9V81 D85 L87V81-G83 PolarHBondContact O-N 3.28Å; G83-D85 WeakPolarHBondContact CA-OD1 3.3Å; G83-D85 PolarHBondContact N-OD1 3.28Å; G83-L87 VanDerWaalsContact O-CD1 3.27Å; G83-L87 WeakPolarHBondContact O-CD1 3.45Å
84A41.4Very low51.7Low21 Ų21100.5 Ų100.517%0.17457%0.572CS.*SBendtrans-103.4-17.5162.900000112.5V81 L87V81-A84 HydrophobicContact CG1-CB 3.68Å; A84-L87 PolarHBondContact O-N 3.18Å
85D43.8Very low53.5Low67 Ų6798.5 Ų98.536%0.35856%0.563SS.*THydrogen-bonded Turntrans-70.9-26.3179.858.9-43.8000113.6G83 L87G83-D85 WeakPolarHBondContact CA-OD1 3.3Å; G83-D85 PolarHBondContact N-OD1 3.28Å; D85-L87 VanDerWaalsContact C-N 3.33Å
86R53.3Low56.1Low228 Ų22899.1 Ų99.186%0.8655%0.552SS**THydrogen-bonded Turntrans-85.5-1.1173.6-74.7-173.7174.3-173.6-2.1114.6
87L65.6Low58.7Low75 Ų7594.5 Ų94.539%0.39353%0.525SS..  trans-117.36.2-170.9-80.6145.2000113G83 A84 D85 P89 V123G83-L87 VanDerWaalsContact O-CD1 3.27Å; G83-L87 WeakPolarHBondContact O-CD1 3.45Å; A84-L87 PolarHBondContact O-N 3.18Å; D85-L87 VanDerWaalsContact C-N 3.33Å; L87-P89 WeakPolarHBondContact O-CD 3.42Å; L87-V123 HydrophobicContact CB-CG1 4.12Å; L87-V123 WeakPolarHBondContact O-CG1 3.44Å
88C74.4Confident61.4Low14 Ų1488.8 Ų88.810%0.09550%0.495CS..  trans-71.9109.5175.7-176.70000109.6C90 D91 C101 C103C88-C90 PolarHBondContact O-N 2.81Å; C88-D91 HydrophobicContact CB-CB 4.15Å; C88-D91 PolarHBondContact O-N 2.88Å; C88-C101 PolarHBondContact SG-SG 3.28Å; C88-C103 VanDerWaalsContact CA-SG 3.53Å; C88-C103 HydrophobicContact CB-CB 3.87Å; C88-C103 WeakPolarHBondContact CB-SG 3.42Å; C88-C103 WeakPolarHBondContact SG-CB 3.39Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.81Å
89P76.1Confident63.8Low83 Ų8387.1 Ų87.154%0.53949%0.485SS..THydrogen-bonded Turntrans-74.6-7.1-171.5-1632.1000114.2L87 F120L87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-F120 HydrophobicContact CB-CD2 4.38Å; P89-F120 HydrophobicContact CB-CE2 3.94Å; P89-F120 HydrophobicContact CB-CZ 4.13Å
90C81.3Confident66.2Low16 Ų1680.2 Ų80.211%0.10845%0.449CS..THydrogen-bonded Turntrans-112.53.8-17856.80000114.2C88 E92 C101 C103 F120C88-C90 PolarHBondContact O-N 2.81Å; C90-E92 VanDerWaalsContact C-N 3.31Å; C90-E92 PolarHBondContact O-N 3.32Å; C90-C101 HydrophobicContact CB-CB 3.81Å; C90-C101 WeakPolarHBondContact CB-SG 3.1Å; C90-C101 PolarHBondContact O-SG 2.83Å; C90-C101 VanDerWaalsContact O-SG 3.33Å; C90-C101 WeakPolarHBondContact SG-CA 3.34Å; C90-C101 WeakPolarHBondContact SG-CB 3.25Å; C90-C101 CovalentContact SG-SG 2.04Å; C90-C101 PolarHBondContact SG-SG 3.3Å; C90-C103 VanDerWaalsContact SG-SG 3.61Å; C90-F120 HydrophobicContact CB-CD2 3.95Å; C90-F120 HydrophobicContact CB-CE2 4.1Å
91D79.6Confident68.6Low39 Ų3976 Ų7621%0.20942%0.419CS..  trans-81.980.1169.9178.91.7000107.3C88 D98C88-D91 HydrophobicContact CB-CB 4.15Å; C88-D91 PolarHBondContact O-N 2.88Å; D91-D98 WeakPolarHBondContact CA-OD2 3.38Å
92E75.6Confident70.9Confident169 Ų16970.9 Ų70.979%0.7939%0.388SS*.  trans-82.2-30.5178.6-71-166.3169.700111C90 D98C90-E92 VanDerWaalsContact C-N 3.31Å; C90-E92 PolarHBondContact O-N 3.32Å; E92-D98 PolarHBondContact N-OD2 2.87Å
93N75.8Confident73.2Confident84 Ų8463.8 Ų63.845%0.44935%0.353SS..SBendtrans-111.3100.9-173.5-76.479.4000111.6A95 V96 D98N93-A95 PolarHBondContact O-N 3Å; N93-V96 HydrophobicContact CB-CB 4.1Å; N93-V96 PolarHBondContact O-N 3.24Å; N93-V96 VanDerWaalsContact O-N 3.13Å; N93-D98 PolarHBondContact N-OD2 3.09Å; N93-D98 PolarHBondContact OD1-OD1 3.19Å
94T74.3Confident74.9Confident129 Ų12963 Ų6379%0.79134%0.342SS*.THydrogen-bonded Turntrans-53.7125.8176.854.30000112.1V96T94-V96 VanDerWaalsContact C-N 3.33Å
95A73.1Confident76.6Confident76 Ų7669.2 Ų69.263%0.62836%0.362SS*.THydrogen-bonded Turntrans67.821.7177.200000115.4N93N93-A95 PolarHBondContact O-N 3Å
96V81.3Confident78.5Confident83 Ų8370 Ų7050%0.50336%0.363SS..SBendtrans-135.4138.6174.6-178.60000109.1N93 T94 D98N93-V96 HydrophobicContact CB-CB 4.1Å; N93-V96 PolarHBondContact O-N 3.24Å; N93-V96 VanDerWaalsContact O-N 3.13Å; T94-V96 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.33Å
97C84.6Confident79.9Confident31 Ų3160.2 Ų60.221%0.20933%0.329CS..PPolyproline II helixtrans-65.3119.1174.6174.60000112D104 C107 D111C97-D104 VanDerWaalsContact CA-OD2 3.29Å; C97-D104 WeakPolarHBondContact CA-OD2 3.27Å; C97-C107 WeakPolarHBondContact CA-SG 3.06Å; C97-C107 HydrophobicContact CB-CB 3.91Å; C97-C107 WeakPolarHBondContact CB-SG 3.44Å; C97-C107 WeakPolarHBondContact SG-CA 3.26Å; C97-C107 WeakPolarHBondContact SG-CB 3.39Å; C97-C107 CovalentContact SG-SG 2.03Å; C97-C107 PolarHBondContact SG-SG 3.32Å; C97-D111 HydrophobicContact CB-CB 4.44Å
98D85.8Confident80.7Confident25 Ų2560.5 Ų60.513%0.13433%0.331CS..PPolyproline II helixtrans-84.5125.2172.3-76.8-46.6000111.6D91 E92 N93 V96 N100 C101 D104D91-D98 WeakPolarHBondContact CA-OD2 3.38Å; E92-D98 PolarHBondContact N-OD2 2.87Å; N93-D98 PolarHBondContact N-OD2 3.09Å; N93-D98 PolarHBondContact OD1-OD1 3.19Å; V96-D98 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact O-N 3.09Å; D98-C101 HydrophobicContact CB-CB 3.75Å; D98-C101 VanDerWaalsContact O-CB 3.27Å; D98-C101 WeakPolarHBondContact O-CB 3.36Å; D98-C101 PolarHBondContact O-N 2.84Å; D98-D104 PolarHBondContact N-OD2 2.96Å
99M82.9Confident81Confident125 Ų12566.9 Ų66.962%0.61636%0.357SS*.THydrogen-bonded Turntrans-60.8131.7-174.7-167.6-179.3-169.900111.5C101 L114 F115M99-C101 PolarHBondContact O-N 2.76Å; M99-L114 WeakPolarHBondContact CE-O 3.11Å; M99-F115 HydrophobicContact CG-CD1 4.4Å; M99-F115 HydrophobicContact CG-CE1 4.49Å
100N84.8Confident81.2Confident28 Ų2869 Ų6915%0.1536%0.364CS..THydrogen-bonded Turntrans64.98.4-175.9-56.8-52.2000114.5D98 C102 F115 T116 S117 C118 T119D98-N100 PolarHBondContact O-N 3.09Å; N100-C102 PolarHBondContact O-N 3.5Å; N100-F115 VanDerWaalsContact N-CE1 3.3Å; N100-F115 WeakPolarHBondContact OD1-CA 3.38Å; N100-T116 PolarHBondContact OD1-N 3.36Å; N100-T116 PolarHBondContact OD1-OG1 3.28Å; N100-S117 WeakPolarHBondContact CA-O 3.38Å; N100-S117 WeakPolarHBondContact CB-O 3.29Å; N100-S117 PolarHBondContact OD1-N 3.13Å; N100-S117 PolarHBondContact OD1-O 2.88Å; N100-S117 VanDerWaalsContact OD1-O 3.12Å; N100-C118 WeakPolarHBondContact O-CA 3.39Å; N100-T119 PolarHBondContact O-N 2.87Å; N100-T119 PolarHBondContact O-OG1 3.48Å
101C86.6Confident81.2Confident1 Ų170.7 Ų70.71%0.00737%0.372CS..  trans-88.287.5175.4-170.50000111.4C88 C90 D98 M99 C103 D104C88-C101 PolarHBondContact SG-SG 3.28Å; C90-C101 HydrophobicContact CB-CB 3.81Å; C90-C101 WeakPolarHBondContact CB-SG 3.1Å; C90-C101 PolarHBondContact O-SG 2.83Å; C90-C101 VanDerWaalsContact O-SG 3.33Å; C90-C101 WeakPolarHBondContact SG-CA 3.34Å; C90-C101 WeakPolarHBondContact SG-CB 3.25Å; C90-C101 CovalentContact SG-SG 2.04Å; C90-C101 PolarHBondContact SG-SG 3.3Å; D98-C101 HydrophobicContact CB-CB 3.75Å; D98-C101 VanDerWaalsContact O-CB 3.27Å; D98-C101 WeakPolarHBondContact O-CB 3.36Å; D98-C101 PolarHBondContact O-N 2.84Å; M99-C101 PolarHBondContact O-N 2.76Å; C101-C103 PolarHBondContact O-N 2.8Å; C101-C103 VanDerWaalsContact O-N 3.13Å; C101-D104 HydrophobicContact CB-CB 3.99Å; C101-D104 VanDerWaalsContact O-CB 3.28Å; C101-D104 WeakPolarHBondContact O-CB 3.38Å; C101-D104 PolarHBondContact O-N 2.78Å
102C85.5Confident81.3Confident3 Ų369.1 Ų69.12%0.0236%0.364CS..THydrogen-bonded Turntrans-68.9-10-174.7-68.40000115.8N100 C118 Y138 L150N100-C102 PolarHBondContact O-N 3.5Å; C102-C118 HydrophobicContact CB-CB 3.7Å; C102-C118 WeakPolarHBondContact CB-SG 3.32Å; C102-C118 WeakPolarHBondContact SG-CA 3.11Å; C102-C118 WeakPolarHBondContact SG-CB 3.14Å; C102-C118 CovalentContact SG-SG 2.03Å; C102-C118 PolarHBondContact SG-SG 3.48Å; C102-Y138 HydrophobicContact CB-CG 4.24Å; C102-Y138 WeakPolarHBondContact O-CD1 3.03Å; C102-Y138 WeakPolarHBondContact O-CE1 3.34Å; C102-L150 HydrophobicContact CB-CD1 3.6Å; C102-L150 WeakPolarHBondContact O-CD2 3.38Å
103C84.4Confident81.5Confident16 Ų1662.8 Ų62.811%0.10834%0.34CS..THydrogen-bonded Turntrans-98.60.517355.80000113.4C88 C90 C101 V123 Y138C88-C103 VanDerWaalsContact CA-SG 3.53Å; C88-C103 HydrophobicContact CB-CB 3.87Å; C88-C103 WeakPolarHBondContact CB-SG 3.42Å; C88-C103 WeakPolarHBondContact SG-CB 3.39Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.81Å; C90-C103 VanDerWaalsContact SG-SG 3.61Å; C101-C103 PolarHBondContact O-N 2.8Å; C101-C103 VanDerWaalsContact O-N 3.13Å; C103-V123 HydrophobicContact CB-CG2 3.71Å; C103-Y138 HydrophobicContact CB-CD2 4.21Å; C103-Y138 HydrophobicContact CB-CE1 4.35Å; C103-Y138 HydrophobicContact CB-CE2 3.59Å
104D83.8Confident81.8Confident9 Ų964.7 Ų64.75%0.04835%0.35CS..  trans-76.4131.1176.7-173.3-6.7000110.4C97 D98 C101 E106C97-D104 VanDerWaalsContact CA-OD2 3.29Å; C97-D104 WeakPolarHBondContact CA-OD2 3.27Å; D98-D104 PolarHBondContact N-OD2 2.96Å; C101-D104 HydrophobicContact CB-CB 3.99Å; C101-D104 VanDerWaalsContact O-CB 3.28Å; C101-D104 WeakPolarHBondContact O-CB 3.38Å; C101-D104 PolarHBondContact O-N 2.78Å; D104-E106 PolarHBondContact OD1-N 3.12Å
105R75.8Confident82.3Confident153 Ų15359 Ų5958%0.57731%0.314SS*.SBendtrans-85.1-17.9-176.854.6-175154.6137.8-0113.1C107R105-C107 VanDerWaalsContact C-N 3.29Å
106E84.1Confident82.7Confident83 Ų8360.7 Ų60.739%0.38832%0.317SS..SBendtrans-84.7-10.2179.4-55.3-62.4162.700111.6D104 N108D104-E106 PolarHBondContact OD1-N 3.12Å; E106-N108 PolarHBondContact O-N 3.13Å
107C83.1Confident82.8Confident22 Ų2259.8 Ų59.815%0.14931%0.314CS..  trans-79.2115.2174.6-63.90000112.3C97 R105 V112 F115C97-C107 WeakPolarHBondContact CA-SG 3.06Å; C97-C107 HydrophobicContact CB-CB 3.91Å; C97-C107 WeakPolarHBondContact CB-SG 3.44Å; C97-C107 WeakPolarHBondContact SG-CA 3.26Å; C97-C107 WeakPolarHBondContact SG-CB 3.39Å; C97-C107 CovalentContact SG-SG 2.03Å; C97-C107 PolarHBondContact SG-SG 3.32Å; R105-C107 VanDerWaalsContact C-N 3.29Å; C107-V112 HydrophobicContact CB-CG2 4.3Å; C107-F115 HydrophobicContact CB-CZ 4.24Å
108N82.2Confident82.7Confident81 Ų8159.3 Ų59.343%0.43331%0.311SS..  trans-90.7179.4174.268.651.5000111.4E106 D110 D111 V112E106-N108 PolarHBondContact O-N 3.13Å; N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.04Å; N108-D110 WeakPolarHBondContact OD1-CA 3.28Å; N108-D110 WeakPolarHBondContact OD1-CB 3.12Å; N108-D110 PolarHBondContact OD1-N 3.36Å; N108-D111 PolarHBondContact N-OD2 3.33Å; N108-D111 VanDerWaalsContact N-OD2 3.09Å; N108-D111 PolarHBondContact ND2-OD2 3.47Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 PolarHBondContact OD1-N 2.03Å; N108-D111 VanDerWaalsContact OD1-N 3.09Å; N108-D111 PolarHBondContact OD1-OD2 2.78Å; N108-V112 VanDerWaalsContact O-CG2 3.3Å; N108-V112 WeakPolarHBondContact O-CG2 3.01Å; N108-V112 PolarHBondContact O-N 3.04Å
109K80.3Confident82.6Confident148 Ų14862 Ų6264%0.64333%0.329SS*.Hα-helixtrans-62-33-177.7-66.2-164.5177.1-150.50113.7A113 E149K109-A113 PolarHBondContact O-N 3.02Å; K109-A113 VanDerWaalsContact O-N 3.12Å; K109-E149 IonicContact NZ-OE1 2.81Å; K109-E149 PolarHBondContact NZ-OE1 3.05Å
110D80.1Confident82.4Confident129 Ų12960.1 Ų60.169%0.6932%0.317SS*.Hα-helixtrans-72.8-35.1179.6-60.8-35.2000110.8N108N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.04Å; N108-D110 WeakPolarHBondContact OD1-CA 3.28Å; N108-D110 WeakPolarHBondContact OD1-CB 3.12Å; N108-D110 PolarHBondContact OD1-N 3.36Å
111D82.3Confident82.1Confident51 Ų5163.2 Ų63.227%0.27334%0.337SS..Hα-helixtrans-70.1-43.7175-55-44000111.4C97 N108 A113 L114 F115C97-D111 HydrophobicContact CB-CB 4.44Å; N108-D111 PolarHBondContact N-OD2 3.33Å; N108-D111 VanDerWaalsContact N-OD2 3.09Å; N108-D111 PolarHBondContact ND2-OD2 3.47Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 PolarHBondContact OD1-N 2.03Å; N108-D111 VanDerWaalsContact OD1-N 3.09Å; N108-D111 PolarHBondContact OD1-OD2 2.78Å; D111-A113 PolarHBondContact O-N 3.18Å; D111-L114 WeakPolarHBondContact O-CB 3.07Å; D111-L114 PolarHBondContact O-N 2.04Å; D111-F115 VanDerWaalsContact O-CD1 3.26Å; D111-F115 WeakPolarHBondContact O-CD1 3.1Å; D111-F115 WeakPolarHBondContact O-CE1 3.36Å
112V81.6Confident81.8Confident6 Ų664.8 Ų64.84%0.03635%0.35CS..Hα-helixtrans-62.4-31.9177.6171.70000111.6C107 N108 L114 F115 L140 L150C107-V112 HydrophobicContact CB-CG2 4.3Å; N108-V112 VanDerWaalsContact O-CG2 3.3Å; N108-V112 WeakPolarHBondContact O-CG2 3.01Å; N108-V112 PolarHBondContact O-N 3.04Å; V112-L114 PolarHBondContact O-N 3.43Å; V112-F115 HydrophobicContact CB-CD2 4.49Å; V112-F115 HydrophobicContact CG1-CD2 4.38Å; V112-F115 HydrophobicContact CG2-CD2 4.39Å; V112-F115 HydrophobicContact CG2-CE2 4.06Å; V112-F115 HydrophobicContact CG2-CZ 4.42Å; V112-F115 VanDerWaalsContact O-CB 3.27Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 2.8Å; V112-L140 HydrophobicContact CG1-CD2 3.62Å; V112-L150 HydrophobicContact CG1-CB 3.94Å; V112-L150 HydrophobicContact CG2-CB 4.47Å
113A80.3Confident81.4Confident35 Ų3564.9 Ų64.929%0.28935%0.351SS..THydrogen-bonded Turntrans-63.1-21.1175.900000113.1K109 D111 Y147K109-A113 PolarHBondContact O-N 3.02Å; K109-A113 VanDerWaalsContact O-N 3.12Å; D111-A113 PolarHBondContact O-N 3.18Å; A113-Y147 HydrophobicContact CB-CD1 4.29Å
114L80.7Confident81.1Confident124 Ų12467.8 Ų67.865%0.64936%0.359SS*.THydrogen-bonded Turntrans-88.3-5175.4-59.2174.7000113.1M99 D111 V112M99-L114 WeakPolarHBondContact CE-O 3.11Å; D111-L114 WeakPolarHBondContact O-CB 3.07Å; D111-L114 PolarHBondContact O-N 2.04Å; V112-L114 PolarHBondContact O-N 3.43Å
115F85.1Confident80.3Confident9 Ų970.2 Ų70.24%0.03938%0.377CS..  trans-70.2157.5-179.8-69.34.9000110.6M99 N100 C107 D111 V112 L140 L148M99-F115 HydrophobicContact CG-CD1 4.4Å; M99-F115 HydrophobicContact CG-CE1 4.49Å; N100-F115 VanDerWaalsContact N-CE1 3.3Å; N100-F115 WeakPolarHBondContact OD1-CA 3.38Å; C107-F115 HydrophobicContact CB-CZ 4.24Å; D111-F115 VanDerWaalsContact O-CD1 3.26Å; D111-F115 WeakPolarHBondContact O-CD1 3.1Å; D111-F115 WeakPolarHBondContact O-CE1 3.36Å; V112-F115 HydrophobicContact CB-CD2 4.49Å; V112-F115 HydrophobicContact CG1-CD2 4.38Å; V112-F115 HydrophobicContact CG2-CD2 4.39Å; V112-F115 HydrophobicContact CG2-CE2 4.06Å; V112-F115 HydrophobicContact CG2-CZ 4.42Å; V112-F115 VanDerWaalsContact O-CB 3.27Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 2.8Å; F115-L140 HydrophobicContact CB-CD1 4.13Å; F115-L148 WeakPolarHBondContact O-CD1 3.27Å
116T81.8Confident79.9Confident112 Ų11264.3 Ų64.369%0.68736%0.364SS*.SBendtrans-115.6-26.3174.150.20000111.4N100N100-T116 PolarHBondContact OD1-N 3.36Å; N100-T116 PolarHBondContact OD1-OG1 3.28Å
117S83.4Confident79.1Confident65 Ų6562.1 Ų62.146%0.45536%0.358SS..SBendtrans-163.3172.5176.958.30000110N100N100-S117 WeakPolarHBondContact CA-O 3.38Å; N100-S117 WeakPolarHBondContact CB-O 3.29Å; N100-S117 PolarHBondContact OD1-N 3.13Å; N100-S117 PolarHBondContact OD1-O 2.88Å; N100-S117 VanDerWaalsContact OD1-O 3.12Å
118C83Confident78.5Confident20 Ų2068 Ų6814%0.13538%0.381CS..  trans-96124.2167.4-65.30000109.8N100 C102 F120 T121N100-C118 WeakPolarHBondContact O-CA 3.39Å; C102-C118 HydrophobicContact CB-CB 3.7Å; C102-C118 WeakPolarHBondContact CB-SG 3.32Å; C102-C118 WeakPolarHBondContact SG-CA 3.11Å; C102-C118 WeakPolarHBondContact SG-CB 3.14Å; C102-C118 CovalentContact SG-SG 2.03Å; C102-C118 PolarHBondContact SG-SG 3.48Å; C118-F120 VanDerWaalsContact C-N 3.27Å; C118-F120 PolarHBondContact O-N 3.19Å; C118-T121 HydrophobicContact CB-CG2 4.19Å
119T83.1Confident78Confident83 Ų8369.6 Ų69.651%0.50939%0.385SS..SBendtrans-59.6-40.1174.8-54.20000111.4N100N100-T119 PolarHBondContact O-N 2.87Å; N100-T119 PolarHBondContact O-OG1 3.48Å
120F79.6Confident77.8Confident85 Ų8564 Ų6437%0.37336%0.363SS..  trans-125.7126.1170.6-66.9-82.2000109.9P89 C90 C118P89-F120 HydrophobicContact CB-CD2 4.38Å; P89-F120 HydrophobicContact CB-CE2 3.94Å; P89-F120 HydrophobicContact CB-CZ 4.13Å; C90-F120 HydrophobicContact CB-CD2 3.95Å; C90-F120 HydrophobicContact CB-CE2 4.1Å; C118-F120 VanDerWaalsContact C-N 3.27Å; C118-F120 PolarHBondContact O-N 3.19Å
121T77.7Confident77.9Confident92 Ų9258.5 Ų58.556%0.56433%0.334SS*.SBendtrans-91.9-6177.352.70000112.8C118 S137 Y138C118-T121 HydrophobicContact CB-CG2 4.19Å; T121-S137 CarbonylContact O-C 3.54Å; T121-S137 VanDerWaalsContact O-CA 3.27Å; T121-S137 WeakPolarHBondContact O-CA 3.17Å; T121-Y138 PolarHBondContact O-N 3.38Å
122A79.8Confident77.8Confident35 Ų3557.9 Ų57.929%0.28933%0.334SS..EExtended strand (participates in β ladder)trans-154.6133.6177.100000113.3I135 A136A122-I135 HydrophobicContact CB-CD1 3.69Å; A122-I135 HydrophobicContact CB-CG1 3.88Å; A122-A136 CarbonylContact C-O 3.59Å; A122-A136 VanDerWaalsContact CA-O 3.22Å; A122-A136 WeakPolarHBondContact CA-O 3.41Å
123V78.3Confident77.8Confident5 Ų558.2 Ų58.23%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-117.7130.5176.5179.60000109.2L87 C103 I135 A136 Y138L87-V123 HydrophobicContact CB-CG1 4.12Å; L87-V123 WeakPolarHBondContact O-CG1 3.44Å; C103-V123 HydrophobicContact CB-CG2 3.71Å; V123-I135 CarbonylContact O-C 3.6Å; V123-I135 WeakPolarHBondContact O-CA 3.36Å; V123-A136 PolarHBondContact N-O 3.2Å; V123-A136 PolarHBondContact O-N 2.96Å; V123-Y138 HydrophobicContact CB-CE2 4.18Å; V123-Y138 HydrophobicContact CG2-CD2 4.45Å; V123-Y138 HydrophobicContact CG2-CE2 3.83Å
124R77.1Confident77.8Confident77 Ų7759.7 Ų59.729%0.29134%0.338SS..EExtended strand (participates in β ladder)trans-99.8140.5-179.4-69.417317392.24.4110.2G126 Q133 I135 E157R124-G126 PolarHBondContact O-N 3.15Å; R124-Q133 VanDerWaalsContact CD-NE2 3.26Å; R124-I135 HydrophobicContact CG-CB 4.42Å; R124-I135 HydrophobicContact CG-CD1 3.94Å; R124-I135 HydrophobicContact CG-CG1 3.95Å; R124-E157 IonicContact CZ-OE1 3.73Å; R124-E157 IonicContact CZ-OE2 3.4Å; R124-E157 IonicContact NE-OE1 2.77Å; R124-E157 IonicContact NE-OE2 3.62Å; R124-E157 PolarHBondContact NE-OE2 2.81Å; R124-E157 IonicContact NH2-OE1 3.86Å; R124-E157 PolarHBondContact NH2-OE1 2.87Å; R124-E157 IonicContact NH2-OE2 3.54Å; R124-E157 PolarHBondContact NH2-OE2 2.79Å
125S66.5Low77.8Confident60 Ų6054.7 Ų54.742%0.4231%0.312SS..SBendtrans-73.2-7.8176.4-169.60000113.8D134S125-D134 PolarHBondContact N-O 2.77Å
126G67.9Low77.7Confident29 Ų2954.9 Ų54.930%0.29932%0.315SS..SBendtrans-159.8-172.5-17500000115.2R124 Q133R124-G126 PolarHBondContact O-N 3.15Å; G126-Q133 PolarHBondContact O-OE1 2.72Å
127S66.8Low77.6Confident37 Ų3751.2 Ų51.226%0.25929%0.294SS..  trans-66.5141.3177.91750000111.1Q129 L130 Q133S127-Q129 PolarHBondContact O-N 3.35Å; S127-Q129 PolarHBondContact OG-N 3.3Å; S127-Q129 PolarHBondContact OG-OE1 3.36Å; S127-L130 PolarHBondContact O-N 3.12Å; S127-Q133 PolarHBondContact O-OE1 2.99Å; S127-Q133 VanDerWaalsContact O-OE1 3.1Å
128K70.3Confident77.6Confident145 Ų14549.8 Ų49.863%0.6328%0.279SS*.THydrogen-bonded Turntrans-55.1-16.1171.5-67.9-176.9-179.6178.10113.4L130 N159K128-L130 VanDerWaalsContact C-N 3.31Å; K128-N159 PolarHBondContact O-ND2 3.43Å
129Q72.4Confident77.6Confident114 Ų11451.5 Ų51.553%0.53329%0.291SS..THydrogen-bonded Turntrans-76.7-14179.1-66.3161.4-16.700113.2S127 C164 V165S127-Q129 PolarHBondContact O-N 3.35Å; S127-Q129 PolarHBondContact OG-N 3.3Å; S127-Q129 PolarHBondContact OG-OE1 3.36Å; Q129-C164 CarbonylContact O-C 3.56Å; Q129-C164 VanDerWaalsContact O-CA 3.23Å; Q129-C164 WeakPolarHBondContact O-CA 3.27Å; Q129-V165 HydrophobicContact CB-CG2 4.38Å; Q129-V165 PolarHBondContact O-N 3.18Å
130L76.8Confident77.6Confident31 Ų3149.4 Ų49.416%0.16228%0.276CS..BIsolated β-bridgetrans-69.9142.8-179.9-66.3171.4000111.8S127 K128 S132 Q133 N159 V165 Q168S127-L130 PolarHBondContact O-N 3.12Å; K128-L130 VanDerWaalsContact C-N 3.31Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.48Å; L130-Q133 HydrophobicContact CD1-CB 4.5Å; L130-N159 WeakPolarHBondContact O-CB 3.28Å; L130-V165 CarbonylContact C-O 3.59Å; L130-V165 WeakPolarHBondContact CA-O 3.42Å; L130-V165 HydrophobicContact CD2-CB 4.16Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; L130-Q168 HydrophobicContact CD2-CB 4.26Å
131C81.4Confident77.6Confident14 Ų1447.7 Ų47.710%0.09527%0.273CS..SBendtrans-66.3-30.3176.4-65.50000112.8I158 N159 C164 V165 W166C131-I158 WeakPolarHBondContact O-CA 3.34Å; C131-N159 PolarHBondContact O-N 3.1Å; C131-C164 WeakPolarHBondContact CA-SG 3.48Å; C131-C164 HydrophobicContact CB-CB 3.88Å; C131-C164 WeakPolarHBondContact CB-SG 3.19Å; C131-C164 WeakPolarHBondContact SG-CB 3.34Å; C131-C164 PolarHBondContact SG-O 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.11Å; C131-V165 PolarHBondContact N-O 3.28Å; C131-V165 VanDerWaalsContact SG-C 3.55Å; C131-W166 HydrophobicContact CB-CE3 3.82Å; C131-W166 HydrophobicContact CB-CZ3 4.39Å
132S81Confident77.7Confident38 Ų3848 Ų4827%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-147.1129.1178.5-172.80000109.7L130 R156 E157L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.48Å; S132-R156 PolarHBondContact OG-NE 2.85Å; S132-R156 PolarHBondContact OG-NH2 2.82Å; S132-E157 WeakPolarHBondContact CA-O 3.06Å
133Q79.9Confident77.5Confident12 Ų1249 Ų496%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-145153.4179.465.8-173.1-14.300111.1R124 G126 S127 L130 E157R124-Q133 VanDerWaalsContact CD-NE2 3.26Å; G126-Q133 PolarHBondContact O-OE1 2.72Å; S127-Q133 PolarHBondContact O-OE1 2.99Å; S127-Q133 VanDerWaalsContact O-OE1 3.1Å; L130-Q133 HydrophobicContact CD1-CB 4.5Å; Q133-E157 HydrophobicContact CG-CB 4.29Å; Q133-E157 PolarHBondContact N-O 2.78Å; Q133-E157 PolarHBondContact NE2-OE2 3.23Å; Q133-E157 PolarHBondContact O-N 2.87Å
134D80.9Confident77.2Confident66 Ų6655.6 Ų55.635%0.35332%0.315SS..EExtended strand (participates in β ladder)trans-85.8134.4174.5-58.1-38.6000109.7S125 V154 R156S125-D134 PolarHBondContact N-O 2.77Å; D134-V154 HydrophobicContact CB-CG1 4.18Å; D134-R156 IonicContact OD1-CZ 3.72Å; D134-R156 IonicContact OD1-NH1 2.78Å; D134-R156 PolarHBondContact OD1-NH1 2.94Å; D134-R156 IonicContact OD2-NH1 3.28Å; D134-R156 PolarHBondContact OD2-NH1 2.84Å
135I82Confident76.9Confident20 Ų2061.1 Ų61.110%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-121.8120.1179.2-167.3169.4000109.2A122 V123 R124 V154 Q155 E157A122-I135 HydrophobicContact CB-CD1 3.69Å; A122-I135 HydrophobicContact CB-CG1 3.88Å; V123-I135 CarbonylContact O-C 3.6Å; V123-I135 WeakPolarHBondContact O-CA 3.36Å; R124-I135 HydrophobicContact CG-CB 4.42Å; R124-I135 HydrophobicContact CG-CD1 3.94Å; R124-I135 HydrophobicContact CG-CG1 3.95Å; I135-V154 CarbonylContact O-C 3.51Å; I135-V154 WeakPolarHBondContact O-CA 3.14Å; I135-Q155 HydrophobicContact CG2-CB 4.07Å; I135-Q155 WeakPolarHBondContact CG2-O 3.33Å; I135-Q155 PolarHBondContact N-O 3.05Å; I135-Q155 PolarHBondContact O-N 2.81Å; I135-E157 HydrophobicContact CG2-CB 4.16Å
136A81.6Confident76.9Confident12 Ų1261 Ų6110%0.09935%0.345CS..EExtended strand (participates in β ladder)trans-88.1111.8171.200000108.4A122 V123 Y138 V154A122-A136 CarbonylContact C-O 3.59Å; A122-A136 VanDerWaalsContact CA-O 3.22Å; A122-A136 WeakPolarHBondContact CA-O 3.41Å; V123-A136 PolarHBondContact N-O 3.2Å; V123-A136 PolarHBondContact O-N 2.96Å; A136-Y138 HydrophobicContact CB-CE2 3.85Å; A136-Y138 WeakPolarHBondContact O-CE2 3.41Å; A136-V154 HydrophobicContact CB-CG2 4.29Å
137S80.4Confident77.1Confident35 Ų3566.7 Ų66.725%0.24536%0.359CS..EExtended strand (participates in β ladder)trans-94.6141.2175.658.70000110.6T121 S152 S153T121-S137 CarbonylContact O-C 3.54Å; T121-S137 VanDerWaalsContact O-CA 3.27Å; T121-S137 WeakPolarHBondContact O-CA 3.17Å; S137-S152 CarbonylContact O-C 3.45Å; S137-S152 VanDerWaalsContact O-CA 3.25Å; S137-S152 WeakPolarHBondContact O-CA 3.39Å; S137-S153 PolarHBondContact N-O 3.44Å; S137-S153 PolarHBondContact O-N 2.79Å; S137-S153 PolarHBondContact OG-O 2.77Å; S137-S153 PolarHBondContact OG-OG 2.87Å
138Y83.3Confident77.5Confident36 Ų3667 Ų6714%0.14136%0.357CS..EExtended strand (participates in β ladder)trans-128.1130.6-177.8-58.7-85.8000109.5C102 C103 T121 V123 A136 L150 Q151C102-Y138 HydrophobicContact CB-CG 4.24Å; C102-Y138 WeakPolarHBondContact O-CD1 3.03Å; C102-Y138 WeakPolarHBondContact O-CE1 3.34Å; C103-Y138 HydrophobicContact CB-CD2 4.21Å; C103-Y138 HydrophobicContact CB-CE1 4.35Å; C103-Y138 HydrophobicContact CB-CE2 3.59Å; T121-Y138 PolarHBondContact O-N 3.38Å; V123-Y138 HydrophobicContact CB-CE2 4.18Å; V123-Y138 HydrophobicContact CG2-CD2 4.45Å; V123-Y138 HydrophobicContact CG2-CE2 3.83Å; A136-Y138 HydrophobicContact CB-CE2 3.85Å; A136-Y138 WeakPolarHBondContact O-CE2 3.41Å; Y138-L150 HydrophobicContact CD1-CD1 4.29Å; Y138-Q151 CarbonylContact C-O 3.54Å; Y138-Q151 WeakPolarHBondContact CA-O 3.4Å
139S82Confident78Confident56 Ų5663.9 Ų63.939%0.39235%0.345SS..EExtended strand (participates in β ladder)trans-139.1140.6177.155.80000110.3Q151S139-Q151 PolarHBondContact N-O 3.13Å; S139-Q151 PolarHBondContact O-N 3.14Å
140L84.2Confident78.4Confident39 Ų3961.2 Ų61.220%0.20433%0.334CS..EExtended strand (participates in β ladder)trans-93.1127.3172.7-68.6161.5000109.3V112 F115 L148 E149 L150V112-L140 HydrophobicContact CG1-CD2 3.62Å; F115-L140 HydrophobicContact CB-CD1 4.13Å; L140-L148 HydrophobicContact CB-CD2 4.21Å; L140-L148 HydrophobicContact CD2-CB 4.39Å; L140-E149 WeakPolarHBondContact CA-O 3.22Å; L140-L150 HydrophobicContact CD2-CB 4.33Å; L140-L150 HydrophobicContact CD2-CD1 4.24Å
141T80Confident78.6Confident48 Ų4864.8 Ų64.829%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-118.2139.6174.552.90000109.4E149 Q151T141-E149 PolarHBondContact N-O 2.88Å; T141-E149 PolarHBondContact O-N 3.21Å; T141-E149 PolarHBondContact OG1-O 3.31Å; T141-Q151 HydrophobicContact CG2-CG 4.24Å
142T79.8Confident78.6Confident100 Ų10068.1 Ų68.161%0.61337%0.374SS*.EExtended strand (participates in β ladder)trans-78.9128.1173.851.10000110.2Y147 L148T142-Y147 CarbonylContact C-O 3.55Å; T142-Y147 WeakPolarHBondContact CA-O 3.37Å; T142-L148 HydrophobicContact CG2-CD2 3.66Å
143D75Confident78.4Confident55 Ų5568.9 Ų68.929%0.29438%0.379SS..  trans-71.9177.3173.580.5-1.2000111.9Y145 G146 Y147D143-Y145 PolarHBondContact O-N 3.06Å; D143-Y145 VanDerWaalsContact O-N 3.14Å; D143-Y145 VanDerWaalsContact OD1-C 3.27Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.43Å; D143-Y145 PolarHBondContact OD1-N 3.03Å; D143-G146 PolarHBondContact O-N 2.99Å; D143-G146 VanDerWaalsContact O-N 3.13Å; D143-G146 PolarHBondContact OD1-N 3.14Å; D143-Y147 PolarHBondContact N-O 3.19Å; D143-Y147 PolarHBondContact OD1-N 2.71Å
144V71.6Confident78.4Confident143 Ų14372.8 Ų72.887%0.86740%0.403SS*.THydrogen-bonded Turntrans-63.8-18.4-178.4-175.40000112.5
145Y70.5Confident78.2Confident194 Ų19475.7 Ų75.776%0.76142%0.415SS*.THydrogen-bonded Turntrans-102.31.1-179.2-57.4-71.4000113D143D143-Y145 PolarHBondContact O-N 3.06Å; D143-Y145 VanDerWaalsContact O-N 3.14Å; D143-Y145 VanDerWaalsContact OD1-C 3.27Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.43Å; D143-Y145 PolarHBondContact OD1-N 3.03Å
146G68Low78.1Confident57 Ų5782.1 Ų82.159%0.58844%0.438SS*.SBendtrans887.9177.300000115.1D143D143-G146 PolarHBondContact O-N 2.99Å; D143-G146 VanDerWaalsContact O-N 3.13Å; D143-G146 PolarHBondContact OD1-N 3.14Å
147Y72.1Confident78Confident148 Ų14884.7 Ų84.758%0.5845%0.448SS*.  trans-85.8147.7173.7-62.1-77.9000110.9A113 T142 D143A113-Y147 HydrophobicContact CB-CD1 4.29Å; T142-Y147 CarbonylContact C-O 3.55Å; T142-Y147 WeakPolarHBondContact CA-O 3.37Å; D143-Y147 PolarHBondContact N-O 3.19Å; D143-Y147 PolarHBondContact OD1-N 2.71Å
148L75.4Confident77.9Confident43 Ų4387.8 Ų87.823%0.22546%0.46CS..EExtended strand (participates in β ladder)trans-81.3128176.6-68.7164.5000110.3F115 L140 T142F115-L148 WeakPolarHBondContact O-CD1 3.27Å; L140-L148 HydrophobicContact CB-CD2 4.21Å; L140-L148 HydrophobicContact CD2-CB 4.39Å; T142-L148 HydrophobicContact CG2-CD2 3.66Å
149E80.3Confident77.7Confident81 Ų8188.4 Ų88.438%0.37947%0.466SS..EExtended strand (participates in β ladder)trans-115.8137.7173.6-169.5167.5-148.700109.9K109 L140 T141K109-E149 IonicContact NZ-OE1 2.81Å; K109-E149 PolarHBondContact NZ-OE1 3.05Å; L140-E149 WeakPolarHBondContact CA-O 3.22Å; T141-E149 PolarHBondContact N-O 2.88Å; T141-E149 PolarHBondContact O-N 3.21Å; T141-E149 PolarHBondContact OG1-O 3.31Å
150L81.3Confident77.4Confident57 Ų5795.6 Ų95.630%0.29849%0.486SS..EExtended strand (participates in β ladder)trans-82.9121.4178.6-179.869.7000110.6C102 V112 Y138 L140C102-L150 HydrophobicContact CB-CD1 3.6Å; C102-L150 WeakPolarHBondContact O-CD2 3.38Å; V112-L150 HydrophobicContact CG1-CB 3.94Å; V112-L150 HydrophobicContact CG2-CB 4.47Å; Y138-L150 HydrophobicContact CD1-CD1 4.29Å; L140-L150 HydrophobicContact CD2-CB 4.33Å; L140-L150 HydrophobicContact CD2-CD1 4.24Å
151Q80.8Confident76.9Confident106 Ų10697.8 Ų97.850%0.49550%0.498SS..EExtended strand (participates in β ladder)trans-102.7130.4166.2-68.3-166.6-25.400109.9Y138 S139 T141Y138-Q151 CarbonylContact C-O 3.54Å; Y138-Q151 WeakPolarHBondContact CA-O 3.4Å; S139-Q151 PolarHBondContact N-O 3.13Å; S139-Q151 PolarHBondContact O-N 3.14Å; T141-Q151 HydrophobicContact CG2-CG 4.24Å
152S79.8Confident76.7Confident85 Ų85102.7 Ų102.759%0.59452%0.521SS*.EExtended strand (participates in β ladder)trans-119.8139.4172.6630000110.8S137S137-S152 CarbonylContact O-C 3.45Å; S137-S152 VanDerWaalsContact O-CA 3.25Å; S137-S152 WeakPolarHBondContact O-CA 3.39Å
153S78.8Confident76.5Confident53 Ų53106.3 Ų106.337%0.37153%0.529SS..EExtended strand (participates in β ladder)trans-142138.2174.486.10000111S137S137-S153 PolarHBondContact N-O 3.44Å; S137-S153 PolarHBondContact O-N 2.79Å; S137-S153 PolarHBondContact OG-O 2.77Å; S137-S153 PolarHBondContact OG-OG 2.87Å
154V78.3Confident76.7Confident95 Ų95105.2 Ų105.258%0.57653%0.525SS*.EExtended strand (participates in β ladder)trans-101.2124177.8-176.20000109.1D134 I135 A136D134-V154 HydrophobicContact CB-CG1 4.18Å; I135-V154 CarbonylContact O-C 3.51Å; I135-V154 WeakPolarHBondContact O-CA 3.14Å; A136-V154 HydrophobicContact CB-CG2 4.29Å
155Q76.9Confident76.8Confident127 Ų127100.9 Ų100.959%0.59350%0.499SS*.EExtended strand (participates in β ladder)trans-121.3161.8175.5-63.7-172.4-3.700110.1I135I135-Q155 HydrophobicContact CG2-CB 4.07Å; I135-Q155 WeakPolarHBondContact CG2-O 3.33Å; I135-Q155 PolarHBondContact N-O 3.05Å; I135-Q155 PolarHBondContact O-N 2.81Å
156R79.8Confident76.9Confident154 Ų154101.9 Ų101.958%0.58150%0.501SS*.EExtended strand (participates in β ladder)trans-103.3114.7175.9-162.8153.6-179.4105.4-1.9109.8S132 D134S132-R156 PolarHBondContact OG-NE 2.85Å; S132-R156 PolarHBondContact OG-NH2 2.82Å; D134-R156 IonicContact OD1-CZ 3.72Å; D134-R156 IonicContact OD1-NH1 2.78Å; D134-R156 PolarHBondContact OD1-NH1 2.94Å; D134-R156 IonicContact OD2-NH1 3.28Å; D134-R156 PolarHBondContact OD2-NH1 2.84Å
157E79.2Confident76.8Confident66 Ų66102.7 Ų102.731%0.30850%0.498SS..EExtended strand (participates in β ladder)trans-91.5132179.8-168.3-179.3-140.300109.2R124 S132 Q133 I135R124-E157 IonicContact CZ-OE1 3.73Å; R124-E157 IonicContact CZ-OE2 3.4Å; R124-E157 IonicContact NE-OE1 2.77Å; R124-E157 IonicContact NE-OE2 3.62Å; R124-E157 PolarHBondContact NE-OE2 2.81Å; R124-E157 IonicContact NH2-OE1 3.86Å; R124-E157 PolarHBondContact NH2-OE1 2.87Å; R124-E157 IonicContact NH2-OE2 3.54Å; R124-E157 PolarHBondContact NH2-OE2 2.79Å; S132-E157 WeakPolarHBondContact CA-O 3.06Å; Q133-E157 HydrophobicContact CG-CB 4.29Å; Q133-E157 PolarHBondContact N-O 2.78Å; Q133-E157 PolarHBondContact NE2-OE2 3.23Å; Q133-E157 PolarHBondContact O-N 2.87Å; I135-E157 HydrophobicContact CG2-CB 4.16Å
158I80.1Confident76.3Confident100 Ų10099.8 Ų99.851%0.51349%0.489SS..EExtended strand (participates in β ladder)trans-107126.5177.3-57.6176000108.5C131 Y160C131-I158 WeakPolarHBondContact O-CA 3.34Å; I158-Y160 HydrophobicContact CG2-CE1 4.35Å
159N77.3Confident75.1Confident49 Ų49105 Ų10526%0.26252%0.518SS..  trans-90.9117.9174-173.5-15.1000110K128 L130 C131 N161 C164K128-N159 PolarHBondContact O-ND2 3.43Å; L130-N159 WeakPolarHBondContact O-CB 3.28Å; C131-N159 PolarHBondContact O-N 3.1Å; N159-N161 VanDerWaalsContact C-N 3.27Å; N159-N161 PolarHBondContact O-N 2.93Å; N159-N161 WeakPolarHBondContact OD1-CB 2.95Å; N159-N161 PolarHBondContact OD1-N 2.89Å; N159-C164 HydrophobicContact CB-CB 4.27Å
160Y76.6Confident73.7Confident207 Ų207110.4 Ų110.481%0.81254%0.535SS*.  trans-82.84.9-179.5-59.6-78.7000114.3I158 I162I158-Y160 HydrophobicContact CG2-CE1 4.35Å; Y160-I162 PolarHBondContact O-N 3.41Å
161N72.9Confident72.2Confident85 Ų85117.6 Ų117.646%0.45556%0.564SS.*  trans-65.7127.5174-171.8-25.9000109.9N159 F163 C164N159-N161 VanDerWaalsContact C-N 3.27Å; N159-N161 PolarHBondContact O-N 2.93Å; N159-N161 WeakPolarHBondContact OD1-CB 2.95Å; N159-N161 PolarHBondContact OD1-N 2.89Å; N161-F163 PolarHBondContact O-N 2.75Å; N161-F163 VanDerWaalsContact O-N 3.1Å; N161-F163 PolarHBondContact OD1-N 2.04Å; N161-C164 VanDerWaalsContact O-CB 3.24Å; N161-C164 WeakPolarHBondContact O-CB 3.03Å; N161-C164 PolarHBondContact O-N 3.14Å; N161-C164 PolarHBondContact O-SG 2.99Å
162I76.9Confident70.7Confident152 Ų152118.4 Ų118.478%0.77957%0.571SS**THydrogen-bonded Turntrans-61.9-19.8179.9-158.6164000113.3Y160Y160-I162 PolarHBondContact O-N 3.41Å
163F76.1Confident69.3Low175 Ų175116.1 Ų116.177%0.76856%0.561SS**THydrogen-bonded Turntrans-100.918.1175.5-58.2-67.3000113.1N161N161-F163 PolarHBondContact O-N 2.75Å; N161-F163 VanDerWaalsContact O-N 3.1Å; N161-F163 PolarHBondContact OD1-N 2.04Å
164C79.3Confident67.9Low32 Ų32120.3 Ų120.322%0.21658%0.579CS.*  trans-62.5145.5174.468.40000110.8Q129 C131 N159 N161 W166Q129-C164 CarbonylContact O-C 3.56Å; Q129-C164 VanDerWaalsContact O-CA 3.23Å; Q129-C164 WeakPolarHBondContact O-CA 3.27Å; C131-C164 WeakPolarHBondContact CA-SG 3.48Å; C131-C164 HydrophobicContact CB-CB 3.88Å; C131-C164 WeakPolarHBondContact CB-SG 3.19Å; C131-C164 WeakPolarHBondContact SG-CB 3.34Å; C131-C164 PolarHBondContact SG-O 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.11Å; N159-C164 HydrophobicContact CB-CB 4.27Å; N161-C164 VanDerWaalsContact O-CB 3.24Å; N161-C164 WeakPolarHBondContact O-CB 3.03Å; N161-C164 PolarHBondContact O-N 3.14Å; N161-C164 PolarHBondContact O-SG 2.99Å; C164-W166 PolarHBondContact O-N 2.03Å
165V73.3Confident66.5Low53 Ų53119.8 Ų119.832%0.32158%0.58SS.*BIsolated β-bridgetrans-82.9112.1179.6178.70000108.2Q129 L130 C131 Q168Q129-V165 HydrophobicContact CB-CG2 4.38Å; Q129-V165 PolarHBondContact O-N 3.18Å; L130-V165 CarbonylContact C-O 3.59Å; L130-V165 WeakPolarHBondContact CA-O 3.42Å; L130-V165 HydrophobicContact CD2-CB 4.16Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; C131-V165 PolarHBondContact N-O 3.28Å; C131-V165 VanDerWaalsContact SG-C 3.55Å; V165-Q168 HydrophobicContact CG1-CB 4.22Å
166W71.1Confident65.2Low215 Ų215121.7 Ų121.781%0.81459%0.588SS**SBendtrans-69-38.6-178.8-178.8-104.2000112.8C131 C164C131-W166 HydrophobicContact CB-CE3 3.82Å; C131-W166 HydrophobicContact CB-CZ3 4.39Å; C164-W166 PolarHBondContact O-N 2.03Å
167S65.9Low63.9Low73 Ų73119.8 Ų119.851%0.5160%0.595SS.*  trans-151.3131176.658.20000109.9
168Q61.8Low62.5Low87 Ų87122 Ų12241%0.40762%0.619SS.*  trans-103.4109.2176.3-172.5165.3-2.400109.6L130 V165 R170L130-Q168 HydrophobicContact CD2-CB 4.26Å; V165-Q168 HydrophobicContact CG1-CB 4.22Å; Q168-R170 PolarHBondContact NE2-O 3.24Å
169N50.5Low61.6Low153 Ų153122 Ų12282%0.81863%0.625SS**  trans-93.38-176.8-76.8-10.2000114.2
170R50.8Low61.2Low194 Ų194123 Ų12373%0.73264%0.636SS**  trans-138.2115.5177.1-79.3-168.7175.7-178.2-0.8110.7Q168 D172Q168-R170 PolarHBondContact NE2-O 3.24Å; R170-D172 PolarHBondContact O-N 3.02Å
171F50.8Low60.9Low208 Ų208120 Ų12091%0.91263%0.633SS**THydrogen-bonded Turntrans-65.8-18.8170.4-88-90.7000112.5G173F171-G173 PolarHBondContact O-N 3.1Å
172D49.5Very low61Low123 Ų123120.1 Ų120.166%0.65864%0.638SS**THydrogen-bonded Turntrans-90.55.8-176.2-50.8-31.7000114.4R170 L174R170-D172 PolarHBondContact O-N 3.02Å; D172-L174 VanDerWaalsContact C-N 3.26Å; D172-L174 PolarHBondContact O-N 2.91Å; D172-L174 VanDerWaalsContact O-N 3.15Å
173G50.3Low61.1Low37 Ų37116.4 Ų116.438%0.38162%0.623SS.*THydrogen-bonded Turntrans-74.93.1-169.600000117F171F171-G173 PolarHBondContact O-N 3.1Å
174L48.8Very low61Low142 Ų142112.7 Ų112.774%0.74362%0.624SS**THydrogen-bonded Turntrans-121.74.5179.3-70.5173.4000114.1D172D172-L174 VanDerWaalsContact C-N 3.26Å; D172-L174 PolarHBondContact O-N 2.91Å; D172-L174 VanDerWaalsContact O-N 3.15Å
175S49.2Very low61.2Low84 Ų84119 Ų11959%0.58766%0.656SS**  trans-132.581.9173.153.30000108.6P177S175-P177 WeakPolarHBondContact O-CD 2.99Å
176H49Very low61.5Low167 Ų167118.6 Ų118.677%0.77365%0.652SS**PPolyproline II helixtrans-66.5122157.9-69.9-66.1000106.8S178H176-S178 PolarHBondContact O-N 3.36Å
177P52.4Low62Low113 Ų113113.4 Ų113.473%0.73464%0.636SS**PPolyproline II helixtrans-56.6135.8165.824.3-30.7000107.5S175 P179S175-P177 WeakPolarHBondContact O-CD 2.99Å; P177-P179 VanDerWaalsContact O-N 3.15Å
178S50.3Low62.6Low114 Ų114115.6 Ų115.680%0.79764%0.642SS**PPolyproline II helixtrans-49.5125176.6-49.10000108.6H176 S180H176-S178 PolarHBondContact O-N 3.36Å; S178-S180 PolarHBondContact O-N 3.26Å
179P61Low63.4Low99 Ų99115.3 Ų115.364%0.64365%0.649SS**PPolyproline II helixtrans-57.2138.6178.620.4-29.1000109P177 L181P177-P179 VanDerWaalsContact O-N 3.15Å; P179-L181 PolarHBondContact O-N 2.83Å
180S69.5Low64.7Low70 Ų70108.9 Ų108.949%0.4961%0.614SS.*PPolyproline II helixtrans-56.7128177.839.10000109.9S178 L190S178-S180 PolarHBondContact O-N 3.26Å; S180-L190 WeakPolarHBondContact O-CD1 3.47Å; S180-L190 WeakPolarHBondContact OG-CD2 2.99Å
181L70.6Confident65.9Low144 Ų144105.1 Ų105.175%0.75460%0.604SS**PPolyproline II helixtrans-61.8132.7-178-74.9162.9000110.5P179 T183 N186P179-L181 PolarHBondContact O-N 2.83Å; L181-T183 PolarHBondContact O-N 3.12Å; L181-N186 PolarHBondContact O-ND2 3.26Å
182P74Confident66.9Low87 Ų8799.2 Ų99.257%0.56559%0.588SS**PPolyproline II helixtrans-66.5127175.921.7-26.1000110.4N186 F187 L190P182-N186 WeakPolarHBondContact CA-OD1 3.41Å; P182-F187 HydrophobicContact CB-CD2 4.18Å; P182-L190 HydrophobicContact CB-CD1 4.35Å
183T79.4Confident67.9Low74 Ų7499.5 Ų99.545%0.45459%0.586SS.*  trans-123.1164172.558.20000107.5L181 D185 N186 F187L181-T183 PolarHBondContact O-N 3.12Å; T183-D185 PolarHBondContact O-N 3.25Å; T183-N186 PolarHBondContact N-OD1 3.3Å; T183-N186 PolarHBondContact O-N 3.23Å; T183-N186 PolarHBondContact O-OD1 2.84Å; T183-N186 VanDerWaalsContact O-OD1 3.14Å; T183-N186 PolarHBondContact OG1-ND2 3.36Å; T183-N186 PolarHBondContact OG1-OD1 3Å; T183-N186 VanDerWaalsContact OG1-OD1 3.06Å; T183-F187 WeakPolarHBondContact O-CB 3.4Å; T183-F187 PolarHBondContact O-N 3.06Å
184A73.8Confident68.6Low97 Ų97104.8 Ų104.880%0.80260%0.599SS**THydrogen-bonded Turntrans-54.6-30.9179.800000112.8
185D83.6Confident69.3Low164 Ų164101 Ų10188%0.87758%0.579SS**THydrogen-bonded Turntrans-88.2-20.6-174.2-55.1-38.9000113.8T183T183-D185 PolarHBondContact O-N 3.25Å
186N80.2Confident69.5Low46 Ų46101.6 Ų101.625%0.24658%0.582CS.*THydrogen-bonded Turntrans-113.8-2.8-177.773.69.8000113.5L181 P182 T183 S189 L190L181-N186 PolarHBondContact O-ND2 3.26Å; P182-N186 WeakPolarHBondContact CA-OD1 3.41Å; T183-N186 PolarHBondContact N-OD1 3.3Å; T183-N186 PolarHBondContact O-N 3.23Å; T183-N186 PolarHBondContact O-OD1 2.84Å; T183-N186 VanDerWaalsContact O-OD1 3.14Å; T183-N186 PolarHBondContact OG1-ND2 3.36Å; T183-N186 PolarHBondContact OG1-OD1 3Å; T183-N186 VanDerWaalsContact OG1-OD1 3.06Å; N186-S189 PolarHBondContact O-N 2.9Å; N186-L190 HydrophobicContact CB-CD1 4.33Å; N186-L190 WeakPolarHBondContact O-CB 3.45Å; N186-L190 VanDerWaalsContact O-CG 3.28Å; N186-L190 WeakPolarHBondContact O-CG 3.46Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 WeakPolarHBondContact OD1-CD1 3.32Å
187F80.1Confident69.5Low106 Ų106103.5 Ų103.547%0.46559%0.589SS.*Hα-helixtrans-58.5-51.5-176.1-178-94.5000112.4P182 T183 S189 L190 F191P182-F187 HydrophobicContact CB-CD2 4.18Å; T183-F187 WeakPolarHBondContact O-CB 3.4Å; T183-F187 PolarHBondContact O-N 3.06Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.36Å; F187-L190 PolarHBondContact O-N 3.19Å; F187-F191 HydrophobicContact CE1-CB 4.34Å; F187-F191 HydrophobicContact CE1-CD2 4.41Å; F187-F191 HydrophobicContact CE1-CG 4.44Å; F187-F191 HydrophobicContact CZ-CD2 4.28Å; F187-F191 WeakPolarHBondContact O-CB 3.44Å; F187-F191 PolarHBondContact O-N 3.35Å
188D78.6Confident69.2Low119 Ų119103.5 Ų103.564%0.63658%0.581SS**Hα-helixtrans-63.7-35.6-176.3-67.6-30.2000112.4S192D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 3.07Å; D188-S192 PolarHBondContact O-OG 3.4Å
189S79.1Confident68.6Low80 Ų80107.9 Ų107.956%0.55959%0.587SS**Hα-helixtrans-68.8-45.8175.7-177.70000111.4N186 F187 S192 Q193N186-S189 PolarHBondContact O-N 2.9Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.36Å; S189-S192 PolarHBondContact O-N 2.84Å; S189-Q193 WeakPolarHBondContact O-CB 3.16Å; S189-Q193 PolarHBondContact O-N 2.92Å; S189-Q193 VanDerWaalsContact O-N 3.11Å
190L78.1Confident67.3Low18 Ų18109.1 Ų109.19%0.09459%0.588CS.*Hα-helixtrans-66.4-43.7178.5-68.9171.9000110.7S180 P182 N186 F187 S192 Q193 F194S180-L190 WeakPolarHBondContact O-CD1 3.47Å; S180-L190 WeakPolarHBondContact OG-CD2 2.99Å; P182-L190 HydrophobicContact CB-CD1 4.35Å; N186-L190 HydrophobicContact CB-CD1 4.33Å; N186-L190 WeakPolarHBondContact O-CB 3.45Å; N186-L190 VanDerWaalsContact O-CG 3.28Å; N186-L190 WeakPolarHBondContact O-CG 3.46Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 WeakPolarHBondContact OD1-CD1 3.32Å; F187-L190 PolarHBondContact O-N 3.19Å; L190-S192 PolarHBondContact O-N 3.1Å; L190-Q193 PolarHBondContact O-N 3.3Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.14Å; L190-F194 PolarHBondContact O-N 3.3Å; L190-F194 VanDerWaalsContact O-N 3.12Å
191F74.7Confident66Low115 Ų115111.2 Ų111.250%0.50460%0.599SS.*Hα-helixtrans-55.8-50.5175.3-174.2-102.2000111F187 Q193 F194 I195F187-F191 HydrophobicContact CE1-CB 4.34Å; F187-F191 HydrophobicContact CE1-CD2 4.41Å; F187-F191 HydrophobicContact CE1-CG 4.44Å; F187-F191 HydrophobicContact CZ-CD2 4.28Å; F187-F191 WeakPolarHBondContact O-CB 3.44Å; F187-F191 PolarHBondContact O-N 3.35Å; F191-Q193 PolarHBondContact O-N 3Å; F191-F194 PolarHBondContact O-N 2.84Å; F191-I195 HydrophobicContact CD1-CD1 4.44Å; F191-I195 HydrophobicContact CD1-CG1 3.91Å; F191-I195 HydrophobicContact CD2-CD1 4.36Å; F191-I195 HydrophobicContact CD2-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.8Å; F191-I195 HydrophobicContact CE1-CG1 3.74Å; F191-I195 HydrophobicContact CE2-CD1 3.71Å; F191-I195 HydrophobicContact CE2-CG1 3.99Å; F191-I195 HydrophobicContact CG-CG1 4.12Å; F191-I195 HydrophobicContact CZ-CD1 3.39Å; F191-I195 HydrophobicContact CZ-CG1 3.79Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 2.89Å; F191-I195 VanDerWaalsContact O-N 3.1Å
192S72.5Confident64.5Low85 Ų85111.9 Ų111.959%0.59460%0.599SS**Hα-helixtrans-60.9-31.4177.7-58.30000113.3D188 S189 L190D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 3.07Å; D188-S192 PolarHBondContact O-OG 3.4Å; S189-S192 PolarHBondContact O-N 2.84Å; L190-S192 PolarHBondContact O-N 3.1Å
193Q70.3Confident63Low129 Ų129111.1 Ų111.160%0.60361%0.607SS**Hα-helixtrans-78.2-27.8-177.4-151.9171.837.100113.2S189 L190 F191S189-Q193 WeakPolarHBondContact O-CB 3.16Å; S189-Q193 PolarHBondContact O-N 2.92Å; S189-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-N 3.3Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; F191-Q193 PolarHBondContact O-N 3Å
194F66Low61Low148 Ų148113.3 Ų113.365%0.64962%0.62SS**Hα-helixtrans-103.4-6.6-178.5-67.9-71.8000114.2L190 F191 S196L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.14Å; L190-F194 PolarHBondContact O-N 3.3Å; L190-F194 VanDerWaalsContact O-N 3.12Å; F191-F194 PolarHBondContact O-N 2.84Å; F194-S196 PolarHBondContact O-N 2.71Å
195I62.1Low59.4Low63 Ų63116 Ų11632%0.32362%0.621SS.*THydrogen-bonded Turntrans-75.5-1.6179.2-79.2-84.7000113.8F191 F197 I198F191-I195 HydrophobicContact CD1-CD1 4.44Å; F191-I195 HydrophobicContact CD1-CG1 3.91Å; F191-I195 HydrophobicContact CD2-CD1 4.36Å; F191-I195 HydrophobicContact CD2-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.8Å; F191-I195 HydrophobicContact CE1-CG1 3.74Å; F191-I195 HydrophobicContact CE2-CD1 3.71Å; F191-I195 HydrophobicContact CE2-CG1 3.99Å; F191-I195 HydrophobicContact CG-CG1 4.12Å; F191-I195 HydrophobicContact CZ-CD1 3.39Å; F191-I195 HydrophobicContact CZ-CG1 3.79Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 2.89Å; F191-I195 VanDerWaalsContact O-N 3.1Å; I195-F197 PolarHBondContact O-N 3.2Å; I195-I198 HydrophobicContact CD1-CD1 3.49Å; I195-I198 VanDerWaalsContact CD1-CD1 3.49Å; I195-I198 HydrophobicContact CD1-CG1 4.22Å; I195-I198 HydrophobicContact CG2-CD1 4.19Å; I195-I198 PolarHBondContact O-N 2.94Å
196S53.3Low57.7Low95 Ų95117.9 Ų117.966%0.66462%0.624SS**THydrogen-bonded Turntrans-62.9-3.4-173.5-36.40000116F194F194-S196 PolarHBondContact O-N 2.71Å
197F50.5Low55.6Low207 Ų207118.1 Ų118.191%0.90864%0.638SS**  trans-131.875.1168.2-88-90.5000110.6I195I195-F197 PolarHBondContact O-N 3.2Å
198I45.6Very low53.5Low113 Ų113121.3 Ų121.358%0.57966%0.659SS**SBendtrans-100.1136.9148.1-65-178.8000105.4I195 D200I195-I198 HydrophobicContact CD1-CD1 3.49Å; I195-I198 VanDerWaalsContact CD1-CD1 3.49Å; I195-I198 HydrophobicContact CD1-CG1 4.22Å; I195-I198 HydrophobicContact CG2-CD1 4.19Å; I195-I198 PolarHBondContact O-N 2.94Å; I198-D200 PolarHBondContact O-N 3.1Å
199F36.8Very low51.5Low207 Ų207120.5 Ų120.591%0.90866%0.66SS**  trans-51.1111.5168.2-73.9-87000107.7P201F199-P201 WeakPolarHBondContact O-CD 3.49Å
200D33.6Very low49.5Very low124 Ų124121 Ų12166%0.66367%0.669SS**  trans-55.3126-179.7-155.41000108I198 E202I198-D200 PolarHBondContact O-N 3.1Å; D200-E202 HydrophobicContact CB-CG 4.25Å; D200-E202 PolarHBondContact O-N 2.95Å
201P42.3Very low47.5Very low114 Ų114128.5 Ų128.574%0.7470%0.704SS**  trans-74.872.8162.632.3-28.9000106.1F199 G203F199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-G203 PolarHBondContact O-N 3.39Å
202E40.2Very low45.9Very low158 Ų158129.6 Ų129.674%0.73872%0.72SS**  trans-54.5126.7169.4-84.6-170.1162.900107.7D200 V204D200-E202 HydrophobicContact CB-CG 4.25Å; D200-E202 PolarHBondContact O-N 2.95Å; E202-V204 PolarHBondContact O-N 3.21Å
203G43Very low44.6Very low71 Ų71133.9 Ų133.973%0.73273%0.73SS**  trans-46.2115.4-174.600000111.9P201 N205P201-G203 PolarHBondContact O-N 3.39Å; G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 2.97Å
204V37.3Very low43.7Very low121 Ų121131.4 Ų131.473%0.73373%0.732SS**  trans-65.290.9169.6-179.10000107.4E202E202-V204 PolarHBondContact O-N 3.21Å
205N39.3Very low43.4Very low153 Ų153126.6 Ų126.682%0.81872%0.716SS**  trans-60.4132.6152.3-91.5-31.5000107.5G203 G207G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 2.97Å; N205-G207 PolarHBondContact O-N 3.4Å
206E47.3Very low43.8Very low203 Ų203125.2 Ų125.295%0.94971%0.712SS**SBendtrans-38.4102.9-178.9-64.5-178.9147.100113.3
207G37.4Very low45.4Very low52 Ų52120.7 Ų120.754%0.53668%0.681SS.*  trans-161.690.9166.100000105.7N205 P209N205-G207 PolarHBondContact O-N 3.4Å; G207-P209 VanDerWaalsContact O-CD 3.28Å; G207-P209 WeakPolarHBondContact O-CD 3.28Å
208L36.1Very low47.3Very low172 Ų172111.2 Ų111.290%0.90164%0.639SS**  trans-38.1112.8175.8-78.3138.6000109.7A210L208-A210 PolarHBondContact O-N 3.33Å
209P36.9Very low49.3Very low102 Ų102110.9 Ų110.966%0.66264%0.635SS**  trans-61.6130.6157-6.422.5000104.3G207 E211G207-P209 VanDerWaalsContact O-CD 3.28Å; G207-P209 WeakPolarHBondContact O-CD 3.28Å; P209-E211 PolarHBondContact O-N 2.93Å
210A36.8Very low51.7Low91 Ų91108.3 Ų108.375%0.75262%0.624SS**  trans-48.5117.4166.200000106.7L208 V212L208-A210 PolarHBondContact O-N 3.33Å; A210-V212 VanDerWaalsContact C-N 3.33Å; A210-V212 PolarHBondContact O-N 2.8Å
211E35.3Very low54.2Low176 Ų176104.4 Ų104.482%0.82261%0.612SS**  trans-50105.8171.4-77.4179.215500106.3P209 Q213P209-E211 PolarHBondContact O-N 2.93Å; E211-Q213 PolarHBondContact O-N 2.87Å
212V40.7Very low56.6Low138 Ų138100.8 Ų100.884%0.83659%0.587SS**  trans-59.6102.7154.5176.90000102.3A210 A214A210-V212 VanDerWaalsContact C-N 3.33Å; A210-V212 PolarHBondContact O-N 2.8Å; V212-A214 PolarHBondContact O-N 3.29Å
213Q44.8Very low59.1Low175 Ų17596.3 Ų96.382%0.81857%0.57SS**  trans-47.6106.7179.6-73.6-169.1-28.100107.1E211 S215E211-Q213 PolarHBondContact O-N 2.87Å; Q213-S215 PolarHBondContact O-N 2.78Å
214A52.4Low61.5Low77 Ų7793 Ų9364%0.63654%0.535SS*.  trans-60113.8175.700000105.2V212 S216V212-A214 PolarHBondContact O-N 3.29Å; A214-S216 PolarHBondContact O-N 3.38Å; A214-S216 VanDerWaalsContact O-N 3.09Å
215S59.4Low64.1Low46 Ų4688.1 Ų88.132%0.32251%0.508SS..  trans-52.3123.2175.6580000107.7Q213 G217 Q219Q213-S215 PolarHBondContact O-N 2.78Å; S215-G217 PolarHBondContact O-N 2.96Å; S215-Q219 PolarHBondContact OG-NE2 3.1Å
216S71.8Confident66.6Low34 Ų3481.8 Ų81.824%0.23848%0.475CS..SBendtrans-62-26.7-179.848.50000112.6A214 G292 R293 N294 E355A214-S216 PolarHBondContact O-N 3.38Å; A214-S216 VanDerWaalsContact O-N 3.09Å; S216-G292 CarbonylContact O-C 3.6Å; S216-G292 VanDerWaalsContact O-CA 3.31Å; S216-G292 WeakPolarHBondContact O-CA 3.5Å; S216-R293 PolarHBondContact O-N 3.41Å; S216-N294 WeakPolarHBondContact CB-ND2 3.3Å; S216-E355 WeakPolarHBondContact CB-OE1 3.49Å; S216-E355 PolarHBondContact OG-OE1 3.32Å
217G84.9Confident68.6Low0 Ų073 Ų730%044%0.438CS..SBendtrans-78167.9179.400000114.9S215 S353 G354S215-G217 PolarHBondContact O-N 2.96Å; G217-S353 WeakPolarHBondContact CA-O 3Å; G217-G354 VanDerWaalsContact CA-C 3.46Å; G217-G354 WeakPolarHBondContact CA-O 3.26Å
218Y90.6Very high70.6Confident9 Ų975.2 Ų75.24%0.03543%0.434CS..  trans-70.8147.4174.4-67-85.1000111.5D222 V223 L224 A225 F255 L290 R293 G354 L356Y218-D222 HydrophobicContact CD1-CB 3.85Å; Y218-V223 WeakPolarHBondContact CE1-O 3.41Å; Y218-L224 HydrophobicContact CD1-CD2 4.18Å; Y218-L224 HydrophobicContact CD2-CD2 4.19Å; Y218-L224 HydrophobicContact CE1-CD2 4.13Å; Y218-L224 HydrophobicContact CE2-CD2 4.14Å; Y218-L224 HydrophobicContact CG-CD2 4.2Å; Y218-A225 PolarHBondContact OH-N 3.27Å; Y218-A225 VanDerWaalsContact OH-N 3.12Å; Y218-F255 VanDerWaalsContact CB-CD1 3.48Å; Y218-F255 VanDerWaalsContact CB-CG 3.41Å; Y218-F255 HydrophobicContact CG-CB 4.4Å; Y218-F255 HydrophobicContact CG-CD2 4.4Å; Y218-F255 HydrophobicContact CG-CG 4.27Å; Y218-F255 WeakPolarHBondContact O-CE1 3.32Å; Y218-L290 WeakPolarHBondContact CE2-O 3.47Å; Y218-L290 PolarHBondContact OH-O 2.82Å; Y218-L290 VanDerWaalsContact OH-O 3.06Å; Y218-R293 HydrophobicContact CD1-CG 3.84Å; Y218-R293 HydrophobicContact CE1-CG 4.04Å; Y218-R293 HydrophobicContact CG-CG 4.37Å; Y218-G354 PolarHBondContact N-O 3.23Å; Y218-G354 WeakPolarHBondContact O-CA 3.41Å; Y218-L356 HydrophobicContact CD2-CD1 4.44Å; Y218-L356 HydrophobicContact CD2-CD2 4.12Å; Y218-L356 HydrophobicContact CD2-CG 4.03Å; Y218-L356 HydrophobicContact CE2-CD1 3.97Å; Y218-L356 HydrophobicContact CE2-CD2 4.46Å; Y218-L356 HydrophobicContact CE2-CG 3.94Å
219Q88.9Confident72.2Confident106 Ų10673.3 Ų73.350%0.49543%0.432SS..  trans-104.6156170.9-62.4-175.4-15.300110.2S215 G221 D222 F255S215-Q219 PolarHBondContact OG-NE2 3.1Å; Q219-G221 PolarHBondContact O-N 3.29Å; Q219-G221 VanDerWaalsContact O-N 3.17Å; Q219-D222 PolarHBondContact N-OD2 3.28Å; Q219-D222 VanDerWaalsContact O-CB 3.28Å; Q219-D222 WeakPolarHBondContact O-CB 3.31Å; Q219-D222 PolarHBondContact O-N 3.36Å; Q219-F255 WeakPolarHBondContact O-CD1 3.28Å
220F87.4Confident73.6Confident153 Ų15372.1 Ų72.167%0.67143%0.426SS*.THydrogen-bonded Turntrans-51.3125.3177.8173.7-88.1000110.1L256F220-L256 HydrophobicContact CB-CD1 4.39Å; F220-L256 HydrophobicContact CD2-CB 3.7Å; F220-L256 HydrophobicContact CE2-CB 4.41Å; F220-L256 WeakPolarHBondContact CE2-O 3.41Å
221G85.9Confident75Confident41 Ų4171 Ų7142%0.42342%0.423SS..THydrogen-bonded Turntrans94.4-9.1-177.800000115.4Q219 V254 F255Q219-G221 PolarHBondContact O-N 3.29Å; Q219-G221 VanDerWaalsContact O-N 3.17Å; G221-V254 VanDerWaalsContact O-CG1 3.32Å; G221-V254 WeakPolarHBondContact O-CG1 3.02Å; G221-F255 PolarHBondContact N-O 2.9Å; G221-F255 VanDerWaalsContact N-O 3.14Å
222D91.4Very high76.9Confident39 Ų3969 Ų6921%0.20941%0.414CS..PPolyproline II helixtrans-71142.7176.2-73.8-16.9000111.4Y218 Q219 V254 F255 R293Y218-D222 HydrophobicContact CD1-CB 3.85Å; Q219-D222 PolarHBondContact N-OD2 3.28Å; Q219-D222 VanDerWaalsContact O-CB 3.28Å; Q219-D222 WeakPolarHBondContact O-CB 3.31Å; Q219-D222 PolarHBondContact O-N 3.36Å; D222-V254 CarbonylContact O-C 3.51Å; D222-V254 WeakPolarHBondContact O-CA 3.43Å; D222-F255 PolarHBondContact O-N 2.97Å; D222-R293 IonicContact OD1-NH1 3.99Å; D222-R293 WeakPolarHBondContact OD2-CD 3.38Å; D222-R293 IonicContact OD2-CZ 3.94Å; D222-R293 IonicContact OD2-NE 3.51Å; D222-R293 IonicContact OD2-NH1 3Å; D222-R293 PolarHBondContact OD2-NH1 3.15Å
223V93.1Very high78.9Confident64 Ų6467.7 Ų67.739%0.38840%0.397SS..BIsolated β-bridgetrans-77.4130.8176174.90000109.9Y218 I235 P252Y218-V223 WeakPolarHBondContact CE1-O 3.41Å; V223-I235 HydrophobicContact CG1-CB 4.36Å; V223-I235 HydrophobicContact CG1-CG1 4.22Å; V223-I235 HydrophobicContact CG1-CG2 3.4Å; V223-P252 HydrophobicContact CG1-CB 3.77Å; V223-P252 HydrophobicContact CG2-CB 4.2Å
224L93.6Very high81Confident0 Ų060 Ų600%037%0.365CS..PPolyproline II helixtrans-69.3134177.2-64.7-173.1000111Y218 F236 A253 F255 I348 L356 F385Y218-L224 HydrophobicContact CD1-CD2 4.18Å; Y218-L224 HydrophobicContact CD2-CD2 4.19Å; Y218-L224 HydrophobicContact CE1-CD2 4.13Å; Y218-L224 HydrophobicContact CE2-CD2 4.14Å; Y218-L224 HydrophobicContact CG-CD2 4.2Å; L224-F236 HydrophobicContact CB-CB 3.97Å; L224-F236 HydrophobicContact CB-CD1 4.42Å; L224-F236 HydrophobicContact CD1-CD1 4.12Å; L224-F236 PolarHBondContact O-N 2.77Å; L224-A253 HydrophobicContact CD1-CB 4.14Å; L224-A253 HydrophobicContact CG-CB 4.49Å; L224-A253 PolarHBondContact N-O 3.4Å; L224-F255 HydrophobicContact CD2-CB 4.01Å; L224-F255 HydrophobicContact CD2-CD2 4.14Å; L224-I348 HydrophobicContact CD1-CD1 3.53Å; L224-L356 HydrophobicContact CD2-CD1 4.18Å; L224-F385 HydrophobicContact CD1-CE1 3.93Å; L224-F385 HydrophobicContact CD1-CZ 3.82Å; L224-F385 HydrophobicContact CD2-CE1 4.5Å; L224-F385 HydrophobicContact CG-CZ 4.46Å
225A91.9Very high82.8Confident20 Ų2059.9 Ų59.917%0.16535%0.353CS..EExtended strand (participates in β ladder)trans-99.7147178.200000111.7Y218 G234 L290Y218-A225 PolarHBondContact OH-N 3.27Å; Y218-A225 VanDerWaalsContact OH-N 3.12Å; A225-G234 CarbonylContact C-O 3.47Å; A225-G234 VanDerWaalsContact CA-O 3.28Å; A225-G234 WeakPolarHBondContact CA-O 3.32Å; A225-L290 HydrophobicContact CB-CB 4.31Å; A225-L290 HydrophobicContact CB-CD1 3.83Å; A225-L290 HydrophobicContact CB-CG 4.37Å; A225-L290 PolarHBondContact O-N 3.32Å
226T91.6Very high84.4Confident20 Ų2058 Ų5812%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-109.5151.917349.30000111G234 F236 V287 Q288 L289T226-G234 PolarHBondContact N-O 2.92Å; T226-G234 PolarHBondContact O-N 3.09Å; T226-G234 VanDerWaalsContact OG1-C 3.26Å; T226-G234 WeakPolarHBondContact OG1-CA 3.28Å; T226-F236 HydrophobicContact CG2-CB 3.74Å; T226-F236 HydrophobicContact CG2-CD2 4.02Å; T226-F236 HydrophobicContact CG2-CG 4.22Å; T226-V287 HydrophobicContact CG2-CG1 3.97Å; T226-Q288 CarbonylContact C-O 3.57Å; T226-Q288 WeakPolarHBondContact CA-O 3.34Å; T226-Q288 WeakPolarHBondContact CB-O 3.38Å; T226-L289 HydrophobicContact CG2-CD2 4.06Å
227A88.9Confident85.3Confident19 Ų1961.6 Ų61.616%0.15735%0.348CS..EExtended strand (participates in β ladder)trans-92.7115165.800000108.3Q288 L290 V299A227-Q288 HydrophobicContact CB-CB 4.2Å; A227-Q288 PolarHBondContact N-O 3.29Å; A227-L290 HydrophobicContact CB-CD2 3.92Å; A227-V299 HydrophobicContact CB-CG1 4.31Å; A227-V299 HydrophobicContact CB-CG2 3.93Å
228E80.8Confident85.6Confident97 Ų9761.7 Ų61.745%0.45335%0.348SS..  trans-72154.1169.9-71.4-156.6175.300110.8S230 G231 Q232E228-S230 WeakPolarHBondContact CB-OG 3.17Å; E228-S230 PolarHBondContact O-N 3.26Å; E228-S230 PolarHBondContact OE2-OG 3.14Å; E228-G231 PolarHBondContact O-N 3.17Å; E228-Q232 PolarHBondContact N-O 2.93Å
229P70Confident85.7Confident133 Ų13361.6 Ų61.686%0.86435%0.349SS*.THydrogen-bonded Turntrans-56.2-21.3174.1-23.933.4000113.8G231P229-G231 VanDerWaalsContact C-N 3.28Å
230S65.2Low85.8Confident76 Ų7657 Ų5753%0.53133%0.329SS..THydrogen-bonded Turntrans-77.8-7.1175.862.30000113.9E228 Q232E228-S230 WeakPolarHBondContact CB-OG 3.17Å; E228-S230 PolarHBondContact O-N 3.26Å; E228-S230 PolarHBondContact OE2-OG 3.14Å; S230-Q232 VanDerWaalsContact C-N 3.31Å
231G66.7Low85.7Confident68 Ų6855.3 Ų55.370%0.70132%0.323SS*.SBendtrans81.84.2-174.500000114.4E228 P229E228-G231 PolarHBondContact O-N 3.17Å; P229-G231 VanDerWaalsContact C-N 3.28Å
232Q75.5Confident85.5Confident134 Ų13454.7 Ų54.763%0.62632%0.316SS*.  trans-82.6149174.8-64.5-173.613.500111.5E228 S230 G234E228-Q232 PolarHBondContact N-O 2.93Å; S230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-G234 PolarHBondContact O-N 2.86Å
233K82.4Confident85.2Confident110 Ų11060.4 Ų60.448%0.47835%0.352SS..EExtended strand (participates in β ladder)trans-80.6115174.5-66-166.3171.5-168.60109.8L290 R293 N294K233-L290 HydrophobicContact CD-CD1 3.92Å; K233-L290 HydrophobicContact CG-CD1 3.88Å; K233-R293 PolarHBondContact NZ-O 2.87Å; K233-N294 VanDerWaalsContact NZ-C 3.32Å; K233-N294 PolarHBondContact NZ-O 3.37Å
234G88.1Confident84.8Confident14 Ų1461.1 Ų61.114%0.14436%0.357CS..EExtended strand (participates in β ladder)trans-97.9179.7170.500000112.1A225 T226 Q232A225-G234 CarbonylContact C-O 3.47Å; A225-G234 VanDerWaalsContact CA-O 3.28Å; A225-G234 WeakPolarHBondContact CA-O 3.32Å; T226-G234 PolarHBondContact N-O 2.92Å; T226-G234 PolarHBondContact O-N 3.09Å; T226-G234 VanDerWaalsContact OG1-C 3.26Å; T226-G234 WeakPolarHBondContact OG1-CA 3.28Å; Q232-G234 PolarHBondContact O-N 2.86Å
235I90.6Very high84.4Confident74 Ų7464.2 Ų64.238%0.37938%0.383SS..EExtended strand (participates in β ladder)trans-110.1139172-70.5164.6000108.2V223 Y237 P252V223-I235 HydrophobicContact CG1-CB 4.36Å; V223-I235 HydrophobicContact CG1-CG1 4.22Å; V223-I235 HydrophobicContact CG1-CG2 3.4Å; I235-Y237 HydrophobicContact CB-CD2 4.13Å; I235-Y237 HydrophobicContact CB-CE1 4.37Å; I235-Y237 HydrophobicContact CB-CE2 3.52Å; I235-Y237 VanDerWaalsContact CD1-OH 3.3Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y237 HydrophobicContact CG2-CD1 4.02Å; I235-Y237 HydrophobicContact CG2-CD2 4.03Å; I235-Y237 HydrophobicContact CG2-CE1 3.62Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; I235-Y237 HydrophobicContact CG2-CG 4.22Å; I235-Y237 VanDerWaalsContact CG2-CZ 3.41Å; I235-Y237 VanDerWaalsContact O-CD2 3.32Å; I235-Y237 WeakPolarHBondContact O-CD2 3.37Å; I235-Y237 PolarHBondContact O-N 2.75Å; I235-Y237 VanDerWaalsContact O-N 3.13Å; I235-P252 HydrophobicContact CG2-CB 4.04Å
236F92.8Very high84.2Confident8 Ų865 Ų654%0.03538%0.384CS..  trans-76.5100.7174.6-173.3-140.6000110.2L224 T226 L238 A253 V287 L289 Y346L224-F236 HydrophobicContact CB-CB 3.97Å; L224-F236 HydrophobicContact CB-CD1 4.42Å; L224-F236 HydrophobicContact CD1-CD1 4.12Å; L224-F236 PolarHBondContact O-N 2.77Å; T226-F236 HydrophobicContact CG2-CB 3.74Å; T226-F236 HydrophobicContact CG2-CD2 4.02Å; T226-F236 HydrophobicContact CG2-CG 4.22Å; F236-L238 HydrophobicContact CE1-CD1 4.25Å; F236-L238 HydrophobicContact CE1-CG 4.38Å; F236-L238 HydrophobicContact CE2-CD2 4.11Å; F236-L238 HydrophobicContact CE2-CG 4.42Å; F236-L238 HydrophobicContact CZ-CD1 4.21Å; F236-L238 HydrophobicContact CZ-CD2 3.83Å; F236-L238 HydrophobicContact CZ-CG 4.03Å; F236-A253 HydrophobicContact CB-CB 4.41Å; F236-A253 HydrophobicContact CD1-CB 3.38Å; F236-A253 HydrophobicContact CE1-CB 3.9Å; F236-A253 HydrophobicContact CG-CB 4.19Å; F236-A253 PolarHBondContact O-N 2.77Å; F236-V287 HydrophobicContact CD2-CG1 3.8Å; F236-V287 HydrophobicContact CE2-CB 4.49Å; F236-V287 HydrophobicContact CE2-CG1 3.71Å; F236-V287 HydrophobicContact CE2-CG2 4.17Å; F236-L289 HydrophobicContact CB-CD2 3.93Å; F236-L289 HydrophobicContact CD1-CD2 3.77Å; F236-L289 HydrophobicContact CD2-CD2 4.17Å; F236-L289 HydrophobicContact CE1-CD2 4.37Å; F236-L289 HydrophobicContact CG-CD2 3.69Å; F236-Y346 HydrophobicContact CE2-CE1 4.42Å; F236-Y346 AromaticContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD2 4.32Å; F236-Y346 AromaticContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE2 4.15Å; F236-Y346 HydrophobicContact CZ-CG 4.24Å; F236-Y346 AromaticContact CZ-CZ 3.87Å
237Y91.9Very high84Confident109 Ų10965 Ų6543%0.42739%0.385SS..EExtended strand (participates in β ladder)trans-98.9142.2175.4-65.4-70.8000111.5I235 S250 S251 P252I235-Y237 HydrophobicContact CB-CD2 4.13Å; I235-Y237 HydrophobicContact CB-CE1 4.37Å; I235-Y237 HydrophobicContact CB-CE2 3.52Å; I235-Y237 VanDerWaalsContact CD1-OH 3.3Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y237 HydrophobicContact CG2-CD1 4.02Å; I235-Y237 HydrophobicContact CG2-CD2 4.03Å; I235-Y237 HydrophobicContact CG2-CE1 3.62Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; I235-Y237 HydrophobicContact CG2-CG 4.22Å; I235-Y237 VanDerWaalsContact CG2-CZ 3.41Å; I235-Y237 VanDerWaalsContact O-CD2 3.32Å; I235-Y237 WeakPolarHBondContact O-CD2 3.37Å; I235-Y237 PolarHBondContact O-N 2.75Å; I235-Y237 VanDerWaalsContact O-N 3.13Å; Y237-S250 VanDerWaalsContact CD1-C 3.47Å; Y237-S251 WeakPolarHBondContact CA-O 3.44Å; Y237-P252 HydrophobicContact CD1-CB 4.22Å; Y237-P252 HydrophobicContact CE1-CB 4.06Å
238L91.2Very high84.1Confident2 Ų266.6 Ų66.61%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-119.3149.5167.3-70.3171.4000110.5F236 A240 S251 Y346 V383F236-L238 HydrophobicContact CE1-CD1 4.25Å; F236-L238 HydrophobicContact CE1-CG 4.38Å; F236-L238 HydrophobicContact CE2-CD2 4.11Å; F236-L238 HydrophobicContact CE2-CG 4.42Å; F236-L238 HydrophobicContact CZ-CD1 4.21Å; F236-L238 HydrophobicContact CZ-CD2 3.83Å; F236-L238 HydrophobicContact CZ-CG 4.03Å; L238-A240 PolarHBondContact O-N 3.24Å; L238-S251 PolarHBondContact N-O 3.42Å; L238-S251 WeakPolarHBondContact O-CB 3.19Å; L238-Y346 HydrophobicContact CD1-CD2 4.23Å; L238-Y346 HydrophobicContact CD1-CE2 4.39Å; L238-Y346 HydrophobicContact CD2-CD2 4.14Å; L238-Y346 HydrophobicContact CD2-CE2 3.48Å; L238-Y346 VanDerWaalsContact CD2-CE2 3.48Å; L238-V383 HydrophobicContact CD1-CG2 3.04Å; L238-V383 HydrophobicContact CG-CG2 4.5Å
239P91.5Very high84.2Confident6 Ų666.9 Ų66.94%0.03940%0.397CS..EExtended strand (participates in β ladder)trans-64.7132.3174.1-16.329.7000110.2C247 V248 N249 S261 Y284 F381P239-C247 HydrophobicContact CB-CB 4.35Å; P239-V248 WeakPolarHBondContact CA-O 3.41Å; P239-N249 WeakPolarHBondContact CG-OD1 3.46Å; P239-S261 PolarHBondContact O-OG 3.42Å; P239-Y284 HydrophobicContact CG-CE1 4.06Å; P239-F381 HydrophobicContact CB-CD2 3.92Å; P239-F381 HydrophobicContact CB-CE2 3.53Å; P239-F381 HydrophobicContact CB-CZ 3.98Å; P239-F381 HydrophobicContact CG-CD1 4.43Å; P239-F381 HydrophobicContact CG-CD2 4.19Å; P239-F381 HydrophobicContact CG-CE1 4.01Å; P239-F381 HydrophobicContact CG-CE2 3.72Å; P239-F381 HydrophobicContact CG-CZ 3.62Å; P239-F381 VanDerWaalsContact O-CD2 3.22Å; P239-F381 WeakPolarHBondContact O-CD2 3.45Å
240A90.3Very high84.9Confident10 Ų1064.1 Ų64.18%0.08338%0.381CS..EExtended strand (participates in β ladder)trans-138172.2173.400000110.2L238 C247 V248L238-A240 PolarHBondContact O-N 3.24Å; A240-C247 CarbonylContact O-C 3.57Å; A240-C247 WeakPolarHBondContact O-CA 3.46Å; A240-V248 PolarHBondContact N-O 3.31Å; A240-V248 VanDerWaalsContact N-O 3.11Å; A240-V248 WeakPolarHBondContact O-CG2 3.14Å; A240-V248 PolarHBondContact O-N 3.32Å
241H87.3Confident86.1Confident117 Ų11762.2 Ų62.254%0.54237%0.367SS..EExtended strand (participates in β ladder)trans-72.1137172.662.4-85.9000109.8C263H241-C263 HydrophobicContact CB-CB 4.29Å
242G81.6Confident87.4Confident28 Ų2861.1 Ų61.129%0.28935%0.348SS..  trans-85.4-140.3170.500000111.4T244 D246G242-T244 CarbonylContact C-O 3.6Å; G242-T244 PolarHBondContact N-O 3.25Å; G242-T244 PolarHBondContact O-N 3.49Å; G242-D246 PolarHBondContact N-O 2.92Å
243V84.6Confident88.2Confident159 Ų15954.7 Ų54.796%0.96432%0.318SS*.SBendtrans-68-28.8170.9-1780000111.3
244T84.8Confident88.7Confident79 Ų7950.6 Ų50.649%0.48530%0.302SS..SBendtrans-103.9172.4171.765.30000110.3G242 D246G242-T244 CarbonylContact C-O 3.6Å; G242-T244 PolarHBondContact N-O 3.25Å; G242-T244 PolarHBondContact O-N 3.49Å; T244-D246 PolarHBondContact O-N 2.86Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.07Å; T244-D246 PolarHBondContact OG1-OD2 3.46Å
245A84.9Confident89Confident65 Ų6550 Ų5054%0.53730%0.296SS..SBendtrans-64.1-5.7171.400000113.4C263 S264A245-C263 CarbonylContact O-C 3.57Å; A245-S264 PolarHBondContact O-N 2.94Å
246D87Confident88.9Confident38 Ų3849.2 Ų49.220%0.20329%0.292CS..BIsolated β-bridgetrans-69.6142.1-179.5-59.4-61.7000111.6G242 T244 S264 R266G242-D246 PolarHBondContact N-O 2.92Å; T244-D246 PolarHBondContact O-N 2.86Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.07Å; T244-D246 PolarHBondContact OG1-OD2 3.46Å; D246-S264 VanDerWaalsContact CA-O 3.29Å; D246-S264 WeakPolarHBondContact CA-O 3.45Å; D246-R266 IonicContact OD1-CZ 2.71Å; D246-R266 IonicContact OD1-NE 3.22Å; D246-R266 PolarHBondContact OD1-NE 3.28Å; D246-R266 IonicContact OD1-NH2 2.84Å; D246-R266 PolarHBondContact OD1-NH2 2.79Å; D246-R266 IonicContact OD2-CZ 3.53Å; D246-R266 IonicContact OD2-NE 2.82Å; D246-R266 IonicContact OD2-NH2 3.3Å; D246-R266 PolarHBondContact OD2-NH2 3.39Å
247C88.6Confident88.7Confident19 Ų1954.8 Ų54.813%0.12832%0.316CS..EExtended strand (participates in β ladder)trans-68.3132.5177.2-64.60000112P239 A240 C263 S264P239-C247 HydrophobicContact CB-CB 4.35Å; A240-C247 CarbonylContact O-C 3.57Å; A240-C247 WeakPolarHBondContact O-CA 3.46Å; C247-C263 VanDerWaalsContact CA-SG 3.53Å; C247-C263 HydrophobicContact CB-CB 3.82Å; C247-C263 WeakPolarHBondContact CB-SG 3.47Å; C247-C263 WeakPolarHBondContact SG-CB 3.42Å; C247-C263 CovalentContact SG-SG 2.03Å; C247-C263 PolarHBondContact SG-SG 2.91Å; C247-S264 PolarHBondContact N-O 2.81Å
248V89.4Confident88.4Confident53 Ų5353.4 Ų53.432%0.32132%0.316SS..EExtended strand (participates in β ladder)trans-120.6130.2170.3-63.50000110.4P239 A240 S250P239-V248 WeakPolarHBondContact CA-O 3.41Å; A240-V248 PolarHBondContact N-O 3.31Å; A240-V248 VanDerWaalsContact N-O 3.11Å; A240-V248 WeakPolarHBondContact O-CG2 3.14Å; A240-V248 PolarHBondContact O-N 3.32Å; V248-S250 PolarHBondContact O-N 3.31Å
249N84.3Confident88.1Confident103 Ų10354.9 Ų54.955%0.55132%0.323SS*.EExtended strand (participates in β ladder)trans-86.446.2-179.3-67.6-3.7000112P239P239-N249 WeakPolarHBondContact CG-OD1 3.46Å
250S84.1Confident88Confident74 Ų7458.7 Ų58.752%0.51735%0.346SS..EExtended strand (participates in β ladder)trans-132.79.7-174.857.20000113.6Y237 V248 P252Y237-S250 VanDerWaalsContact CD1-C 3.47Å; V248-S250 PolarHBondContact O-N 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.2Å
251S91Very high88Confident36 Ų3658.8 Ų58.825%0.25235%0.346SS..EExtended strand (participates in β ladder)trans-85.5107.9175.9-175.70000110Y237 L238Y237-S251 WeakPolarHBondContact CA-O 3.44Å; L238-S251 PolarHBondContact N-O 3.42Å; L238-S251 WeakPolarHBondContact O-CB 3.19Å
252P92.9Very high88.2Confident45 Ų4560.2 Ų60.229%0.29235%0.347SS..EExtended strand (participates in β ladder)trans-70.5141.5179.629.5-34.4000110.5V223 I235 Y237 S250V223-P252 HydrophobicContact CG1-CB 3.77Å; V223-P252 HydrophobicContact CG2-CB 4.2Å; I235-P252 HydrophobicContact CG2-CB 4.04Å; Y237-P252 HydrophobicContact CD1-CB 4.22Å; Y237-P252 HydrophobicContact CE1-CB 4.06Å; S250-P252 WeakPolarHBondContact O-CD 3.2Å
253A93.1Very high88.6Confident0 Ų059 Ų590%033%0.334CS..  trans-78.5131167.800000110L224 F236L224-A253 HydrophobicContact CD1-CB 4.14Å; L224-A253 HydrophobicContact CG-CB 4.49Å; L224-A253 PolarHBondContact N-O 3.4Å; F236-A253 HydrophobicContact CB-CB 4.41Å; F236-A253 HydrophobicContact CD1-CB 3.38Å; F236-A253 HydrophobicContact CE1-CB 3.9Å; F236-A253 HydrophobicContact CG-CB 4.19Å; F236-A253 PolarHBondContact O-N 2.77Å
254V93.8Very high88.9Confident23 Ų2352.7 Ų52.714%0.13930%0.297CS..BIsolated β-bridgetrans-115.4131.2-172.4177.40000110.4G221 D222 L256 K257 F385G221-V254 VanDerWaalsContact O-CG1 3.32Å; G221-V254 WeakPolarHBondContact O-CG1 3.02Å; D222-V254 CarbonylContact O-C 3.51Å; D222-V254 WeakPolarHBondContact O-CA 3.43Å; V254-L256 PolarHBondContact O-N 3.27Å; V254-K257 HydrophobicContact CB-CB 4.08Å; V254-K257 HydrophobicContact CB-CD 4.35Å; V254-K257 HydrophobicContact CG1-CB 4.11Å; V254-K257 HydrophobicContact CG1-CD 4.39Å; V254-K257 PolarHBondContact O-N 3.32Å; V254-K257 VanDerWaalsContact O-N 3.14Å; V254-F385 WeakPolarHBondContact O-CE2 3.12Å; V254-F385 VanDerWaalsContact O-CZ 3.24Å; V254-F385 WeakPolarHBondContact O-CZ 3.24Å
255F94Very high88.9Confident3 Ų350.7 Ų50.71%0.01328%0.282CS..THydrogen-bonded Turntrans-59.2130.9-176.8-174.3-113000112Y218 Q219 G221 D222 L224 K257 Y350 L356 F385Y218-F255 VanDerWaalsContact CB-CD1 3.48Å; Y218-F255 VanDerWaalsContact CB-CG 3.41Å; Y218-F255 HydrophobicContact CG-CB 4.4Å; Y218-F255 HydrophobicContact CG-CD2 4.4Å; Y218-F255 HydrophobicContact CG-CG 4.27Å; Y218-F255 WeakPolarHBondContact O-CE1 3.32Å; Q219-F255 WeakPolarHBondContact O-CD1 3.28Å; G221-F255 PolarHBondContact N-O 2.9Å; G221-F255 VanDerWaalsContact N-O 3.14Å; D222-F255 PolarHBondContact O-N 2.97Å; L224-F255 HydrophobicContact CD2-CB 4.01Å; L224-F255 HydrophobicContact CD2-CD2 4.14Å; F255-K257 PolarHBondContact O-N 2.75Å; F255-Y350 HydrophobicContact CE2-CD1 4.39Å; F255-Y350 HydrophobicContact CE2-CD2 4.32Å; F255-Y350 AromaticContact CE2-CG 3.92Å; F255-Y350 HydrophobicContact CE2-CG 3.92Å; F255-Y350 AromaticContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CE2 4.44Å; F255-Y350 AromaticContact CZ-CG 3.84Å; F255-Y350 HydrophobicContact CZ-CG 3.84Å; F255-L356 HydrophobicContact CD2-CD2 3.91Å; F255-L356 HydrophobicContact CE2-CD2 3.61Å; F255-F385 HydrophobicContact CD2-CD1 4.03Å; F255-F385 AromaticContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CE2-CD1 4.27Å; F255-F385 HydrophobicContact CE2-CE1 4.41Å
256L87.9Confident88.6Confident57 Ų5755.4 Ų55.430%0.29829%0.286SS..THydrogen-bonded Turntrans59.522.4-176.9-60.2171.9000115.1F220 V254 Y350 F385F220-L256 HydrophobicContact CB-CD1 4.39Å; F220-L256 HydrophobicContact CD2-CB 3.7Å; F220-L256 HydrophobicContact CE2-CB 4.41Å; F220-L256 WeakPolarHBondContact CE2-O 3.41Å; V254-L256 PolarHBondContact O-N 3.27Å; L256-Y350 HydrophobicContact CD2-CD1 4.02Å; L256-Y350 HydrophobicContact CD2-CD2 4.3Å; L256-Y350 HydrophobicContact CD2-CE1 3.36Å; L256-Y350 HydrophobicContact CD2-CE2 3.72Å; L256-Y350 HydrophobicContact CD2-CG 4.46Å; L256-Y350 WeakPolarHBondContact CD2-OH 3.37Å; L256-F385 HydrophobicContact CD2-CB 4.05Å
257K88.2Confident88Confident124 Ų12454 Ų5454%0.53928%0.278SS..  trans-116.991171.7-166.8177.2-177.8-179.40109.4V254 F255 Q259V254-K257 HydrophobicContact CB-CB 4.08Å; V254-K257 HydrophobicContact CB-CD 4.35Å; V254-K257 HydrophobicContact CG1-CB 4.11Å; V254-K257 HydrophobicContact CG1-CD 4.39Å; V254-K257 PolarHBondContact O-N 3.32Å; V254-K257 VanDerWaalsContact O-N 3.14Å; F255-K257 PolarHBondContact O-N 2.75Å; K257-Q259 PolarHBondContact O-N 2.89Å
258D86.2Confident86.8Confident81 Ų8156.6 Ų56.643%0.43330%0.301SS..  trans-55.8127173.1-71.3-1.7000109.2V383 I384 F385D258-V383 WeakPolarHBondContact CA-O 3.22Å; D258-I384 WeakPolarHBondContact OD1-CA 3.43Å; D258-F385 PolarHBondContact OD1-N 3.23Å
259Q85.5Confident85.5Confident33 Ų3355.8 Ų55.815%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-130.9138.4-174.457.7179.86900110.2K257 Q382 V383K257-Q259 PolarHBondContact O-N 2.89Å; Q259-Q382 CarbonylContact O-C 3.53Å; Q259-Q382 VanDerWaalsContact O-CA 3.25Å; Q259-Q382 WeakPolarHBondContact O-CA 3.3Å; Q259-V383 HydrophobicContact CG-CB 3.77Å; Q259-V383 HydrophobicContact CG-CG2 3.84Å; Q259-V383 PolarHBondContact N-O 2.64Å; Q259-V383 VanDerWaalsContact N-O 3.07Å; Q259-V383 PolarHBondContact O-N 3.27Å
260T88.7Confident84Confident86 Ų8659 Ų5953%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-128129.9168.8-56.50000107.8E380 F381T260-E380 HydrophobicContact CG2-CG 4.34Å; T260-F381 CarbonylContact C-O 3.59Å; T260-F381 WeakPolarHBondContact CA-O 3.4Å
261S89.4Confident82.9Confident12 Ų1256.9 Ų56.98%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-131.8142.4-179.365.40000110.1P239 E380 F381P239-S261 PolarHBondContact O-OG 3.42Å; S261-E380 CarbonylContact O-C 3.48Å; S261-E380 WeakPolarHBondContact O-CA 3.13Å; S261-F381 PolarHBondContact N-O 2.96Å; S261-F381 PolarHBondContact O-N 3.14Å; S261-F381 PolarHBondContact OG-O 3.02Å
262R91.6Very high81.7Confident147 Ų14760 Ų6056%0.55532%0.316SS*.EExtended strand (participates in β ladder)trans-126.4132.2174.5-73.6179160.2-169.7-6.5108.1Q379 E380R262-Q379 WeakPolarHBondContact CA-O 3.34Å; R262-E380 HydrophobicContact CG-CB 4.21Å; R262-E380 HydrophobicContact CG-CG 3.94Å; R262-E380 IonicContact CZ-OE2 3.83Å; R262-E380 VanDerWaalsContact CZ-OE2 3.22Å; R262-E380 IonicContact NE-OE2 2.84Å; R262-E380 PolarHBondContact NE-OE2 2.69Å; R262-E380 IonicContact NH2-OE2 2.83Å; R262-E380 PolarHBondContact NH2-OE2 2.78Å
263C91.3Very high80.8Confident2 Ų258 Ų581%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-148.9163.9178.165.20000110.4H241 A245 C247 Q378 Q379H241-C263 HydrophobicContact CB-CB 4.29Å; A245-C263 CarbonylContact O-C 3.57Å; C247-C263 VanDerWaalsContact CA-SG 3.53Å; C247-C263 HydrophobicContact CB-CB 3.82Å; C247-C263 WeakPolarHBondContact CB-SG 3.47Å; C247-C263 WeakPolarHBondContact SG-CB 3.42Å; C247-C263 CovalentContact SG-SG 2.03Å; C247-C263 PolarHBondContact SG-SG 2.91Å; C263-Q378 CarbonylContact O-C 3.45Å; C263-Q378 WeakPolarHBondContact O-CA 3.4Å; C263-Q379 PolarHBondContact N-O 2.86Å; C263-Q379 VanDerWaalsContact N-O 3.11Å; C263-Q379 PolarHBondContact O-N 2.83Å
264S89.3Confident79.8Confident27 Ų2759.8 Ų59.819%0.18932%0.315CS..EExtended strand (participates in β ladder)trans-111.5115.2-178-64.90000110A245 D246 C247 L377A245-S264 PolarHBondContact O-N 2.94Å; D246-S264 VanDerWaalsContact CA-O 3.29Å; D246-S264 WeakPolarHBondContact CA-O 3.45Å; C247-S264 PolarHBondContact N-O 2.81Å; S264-L377 CarbonylContact C-O 3.6Å; S264-L377 WeakPolarHBondContact CA-O 3.29Å
265Q86.2Confident78.9Confident37 Ų3762.6 Ų62.617%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-86.8124.8176.9-176.961.617.900110.2L267 A278 S376 L377Q265-L267 PolarHBondContact O-N 3.06Å; Q265-A278 HydrophobicContact CG-CB 4.42Å; Q265-S376 CarbonylContact O-C 3.57Å; Q265-S376 VanDerWaalsContact O-CA 3.26Å; Q265-S376 WeakPolarHBondContact O-CA 3.04Å; Q265-L377 PolarHBondContact N-O 2.99Å; Q265-L377 PolarHBondContact O-N 3.24Å
266R77.9Confident78.2Confident164 Ų16464.4 Ų64.462%0.61935%0.345SS*.EExtended strand (participates in β ladder)trans-72.8127.2173.4-63.5-173.6-169-178.24.7110.6D246 A268 N375D246-R266 IonicContact OD1-CZ 2.71Å; D246-R266 IonicContact OD1-NE 3.22Å; D246-R266 PolarHBondContact OD1-NE 3.28Å; D246-R266 IonicContact OD1-NH2 2.84Å; D246-R266 PolarHBondContact OD1-NH2 2.79Å; D246-R266 IonicContact OD2-CZ 3.53Å; D246-R266 IonicContact OD2-NE 2.82Å; D246-R266 IonicContact OD2-NH2 3.3Å; D246-R266 PolarHBondContact OD2-NH2 3.39Å; R266-A268 PolarHBondContact O-N 3.12Å; R266-N375 CarbonylContact C-O 3.59Å; R266-N375 WeakPolarHBondContact CA-O 3.13Å
267L74.7Confident78Confident9 Ų968.3 Ų68.35%0.04736%0.362CS..  trans-93.589.3-179.8-66.8175.2000109.3Q265 L269 L276 L279 V368 N375 L377Q265-L267 PolarHBondContact O-N 3.06Å; L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 HydrophobicContact CB-CD1 3.91Å; L267-L269 HydrophobicContact CB-CG 4.02Å; L267-L269 HydrophobicContact CD1-CD1 4.25Å; L267-L269 HydrophobicContact CD2-CD1 4.39Å; L267-L269 HydrophobicContact CG-CD1 4.43Å; L267-L269 PolarHBondContact O-N 2.86Å; L267-L276 HydrophobicContact CD2-CD1 4.46Å; L267-L279 HydrophobicContact CD2-CD1 3.76Å; L267-L279 HydrophobicContact CD2-CD2 4.18Å; L267-V368 HydrophobicContact CD1-CG1 4.02Å; L267-N375 PolarHBondContact N-O 2.79Å; L267-L377 HydrophobicContact CD1-CB 4.04Å; L267-L377 HydrophobicContact CD2-CB 4.29Å; L267-L377 HydrophobicContact CG-CB 4.16Å
268A62.9Low77.8Confident73 Ų7363 Ų6360%0.60334%0.341SS*.  trans-85.772.9167.900000109.3R266 D270R266-A268 PolarHBondContact O-N 3.12Å; A268-D270 VanDerWaalsContact C-N 3.32Å; A268-D270 PolarHBondContact O-N 2.86Å
269L61.7Low77.8Confident36 Ų3659.1 Ų59.119%0.18832%0.32CS..  trans-85.667.6-172.4-68.1166.4000111.9L267 G271 C273 L276 T370L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 HydrophobicContact CB-CD1 3.91Å; L267-L269 HydrophobicContact CB-CG 4.02Å; L267-L269 HydrophobicContact CD1-CD1 4.25Å; L267-L269 HydrophobicContact CD2-CD1 4.39Å; L267-L269 HydrophobicContact CG-CD1 4.43Å; L267-L269 PolarHBondContact O-N 2.86Å; L269-G271 PolarHBondContact O-N 2.9Å; L269-C273 HydrophobicContact CD2-CB 4.49Å; L269-L276 HydrophobicContact CD2-CD1 4.31Å; L269-T370 HydrophobicContact CD1-CG2 3.38Å
270D54.7Low77.9Confident169 Ų16960.8 Ų60.890%0.90433%0.325SS*.SBendtrans-81.950.9172.6-74.6-27.5000112.2A268A268-D270 VanDerWaalsContact C-N 3.32Å; A268-D270 PolarHBondContact O-N 2.86Å
271G60.2Low77.8Confident30 Ų3057.1 Ų57.131%0.30930%0.302SS..SBendtrans134.3-75.117200000115.2L269 R331L269-G271 PolarHBondContact O-N 2.9Å; G271-R331 WeakPolarHBondContact O-CD 3.41Å; G271-R331 PolarHBondContact O-NH1 3.4Å
272D65Low77.7Confident103 Ų10357.8 Ų57.855%0.55131%0.305SS*.  trans-113.3124.5-170.5-94.3-34000113.2S274 S275D272-S274 PolarHBondContact O-N 2.82Å; D272-S275 WeakPolarHBondContact O-CB 3.45Å; D272-S275 PolarHBondContact O-N 3.11Å; D272-S275 PolarHBondContact O-OG 3.4Å
273C74.6Confident77.6Confident2 Ų253.4 Ų53.41%0.01430%0.295CS..G310 helixtrans-65.2-23177.3-48.70000112.5L269 S275 P329 C337L269-C273 HydrophobicContact CD2-CB 4.49Å; C273-S275 VanDerWaalsContact C-N 3.33Å; C273-P329 HydrophobicContact CB-CB 3.89Å; C273-C337 HydrophobicContact CB-CB 3.73Å; C273-C337 WeakPolarHBondContact CB-SG 3.49Å; C273-C337 WeakPolarHBondContact SG-CB 3.26Å; C273-C337 CovalentContact SG-SG 2.03Å; C273-C337 PolarHBondContact SG-SG 3.21Å
274S72.9Confident77.5Confident38 Ų3853.7 Ų53.727%0.26630%0.295SS..G310 helixtrans-79.1-12.5-179.757.70000113.9D272 L276 R280D272-S274 PolarHBondContact O-N 2.82Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.91Å; S274-R280 WeakPolarHBondContact O-CD 3.28Å
275S74.5Confident77.5Confident82 Ų8252.8 Ų52.857%0.57329%0.29SS*.G310 helixtrans-69.4-27.6-179.762.90000113.1D272 C273 Q277D272-S275 WeakPolarHBondContact O-CB 3.45Å; D272-S275 PolarHBondContact O-N 3.11Å; D272-S275 PolarHBondContact O-OG 3.4Å; C273-S275 VanDerWaalsContact C-N 3.33Å; S275-Q277 PolarHBondContact O-N 3.13Å
276L79.3Confident77.6Confident41 Ų4156.8 Ų56.822%0.21531%0.312CS..  trans-89106.2-179.2-66.7172.6000110.3L267 L269 S274 A278 L279L267-L276 HydrophobicContact CD2-CD1 4.46Å; L269-L276 HydrophobicContact CD2-CD1 4.31Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.91Å; L276-A278 PolarHBondContact O-N 3.06Å; L276-L279 HydrophobicContact CB-CB 4.49Å; L276-L279 HydrophobicContact CB-CD1 3.92Å; L276-L279 HydrophobicContact CB-CG 3.92Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CD1-CG 4.42Å; L276-L279 HydrophobicContact CG-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.74Å
277Q83.6Confident78.2Confident139 Ų13949.9 Ų49.965%0.6529%0.288SS*.G310 helixtrans-53.2-38.9176.6-70.7178.8-18.200112.6S275 L279 R280 T283S275-Q277 PolarHBondContact O-N 3.13Å; Q277-L279 PolarHBondContact O-N 3Å; Q277-R280 PolarHBondContact O-N 3.18Å; Q277-T283 HydrophobicContact CB-CG2 4.49Å; Q277-T283 WeakPolarHBondContact O-CB 3.39Å; Q277-T283 PolarHBondContact O-OG1 3.4Å
278A83.9Confident79Confident11 Ų1153.6 Ų53.69%0.09131%0.305CS..G310 helixtrans-58.2-19.2178.900000114.6Q265 L276 Y284 Q379Q265-A278 HydrophobicContact CG-CB 4.42Å; L276-A278 PolarHBondContact O-N 3.06Å; A278-Y284 WeakPolarHBondContact O-CE2 3.14Å; A278-Y284 PolarHBondContact O-OH 2.85Å; A278-Q379 PolarHBondContact O-NE2 2.74Å
279L85.8Confident80.4Confident0 Ų050.1 Ų50.10%028%0.277CS..G310 helixtrans-97.6-15.9179.6-56.7-176.4000113.3L267 L276 Q277 P329 M340 V341 L377L267-L279 HydrophobicContact CD2-CD1 3.76Å; L267-L279 HydrophobicContact CD2-CD2 4.18Å; L276-L279 HydrophobicContact CB-CB 4.49Å; L276-L279 HydrophobicContact CB-CD1 3.92Å; L276-L279 HydrophobicContact CB-CG 3.92Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CD1-CG 4.42Å; L276-L279 HydrophobicContact CG-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.74Å; Q277-L279 PolarHBondContact O-N 3Å; L279-P329 HydrophobicContact CB-CG 4.21Å; L279-M340 HydrophobicContact CB-CB 4.42Å; L279-M340 HydrophobicContact CB-CG 4.24Å; L279-M340 HydrophobicContact CD1-CG 4.26Å; L279-M340 HydrophobicContact CD1-SD 4.07Å; L279-V341 PolarHBondContact O-N 2.82Å; L279-V341 VanDerWaalsContact O-N 3.08Å; L279-L377 HydrophobicContact CD2-CD2 3.6Å
280R87.5Confident81.9Confident68 Ų6848.9 Ų48.926%0.25727%0.27SS..  trans-83.7144.5-173.5-58.6170.356.8149.6-1.6111.1S274 Q277 D282 Y284 P329S274-R280 WeakPolarHBondContact O-CD 3.28Å; Q277-R280 PolarHBondContact O-N 3.18Å; R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 IonicContact CZ-OD1 3.71Å; R280-D282 IonicContact CZ-OD2 3.21Å; R280-D282 IonicContact NE-OD1 3.65Å; R280-D282 PolarHBondContact NE-OD1 3.46Å; R280-D282 IonicContact NE-OD2 2.96Å; R280-D282 PolarHBondContact NE-OD2 2.82Å; R280-D282 IonicContact NH2-OD1 3.24Å; R280-D282 IonicContact NH2-OD2 2.63Å; R280-D282 PolarHBondContact NH2-OD2 2.72Å; R280-Y284 VanDerWaalsContact O-CD2 3.26Å; R280-Y284 WeakPolarHBondContact O-CD2 3.48Å; R280-Y284 WeakPolarHBondContact O-CE2 3.44Å; R280-P329 HydrophobicContact CG-CG 4.13Å
281M87.8Confident83.7Confident9 Ų941.4 Ų41.44%0.04423%0.232CC..SBendtrans-65.6-42.8177169.6162.8177.600112.8T283 Y284 A285 V304 V307 F327 V341 L363 L365M281-T283 PolarHBondContact O-N 3.03Å; M281-Y284 PolarHBondContact O-N 2.91Å; M281-A285 PolarHBondContact O-N 2.84Å; M281-V304 HydrophobicContact CE-CG1 3.85Å; M281-V304 HydrophobicContact CE-CG2 4.07Å; M281-V307 HydrophobicContact CE-CG2 3.38Å; M281-V307 HydrophobicContact SD-CG2 4.07Å; M281-F327 HydrophobicContact SD-CB 4.26Å; M281-F327 HydrophobicContact SD-CD2 4.12Å; M281-V341 HydrophobicContact CB-CG2 4.38Å; M281-L363 HydrophobicContact CE-CD1 3.72Å; M281-L363 HydrophobicContact CG-CD1 3.74Å; M281-L363 HydrophobicContact SD-CD1 4.14Å; M281-L365 HydrophobicContact CB-CD2 4.49Å; M281-L365 HydrophobicContact SD-CD1 4.37Å
282D87.4Confident85Confident27 Ų2740.1 Ų40.114%0.14422%0.219CC..Hα-helixtrans-60.1-30.7-177.168.2-33000113.3R280 Y284 A285 N286R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 IonicContact CZ-OD1 3.71Å; R280-D282 IonicContact CZ-OD2 3.21Å; R280-D282 IonicContact NE-OD1 3.65Å; R280-D282 PolarHBondContact NE-OD1 3.46Å; R280-D282 IonicContact NE-OD2 2.96Å; R280-D282 PolarHBondContact NE-OD2 2.82Å; R280-D282 IonicContact NH2-OD1 3.24Å; R280-D282 IonicContact NH2-OD2 2.63Å; R280-D282 PolarHBondContact NH2-OD2 2.72Å; D282-Y284 PolarHBondContact O-N 3.45Å; D282-A285 PolarHBondContact O-N 3.39Å; D282-N286 VanDerWaalsContact O-CB 3.3Å; D282-N286 WeakPolarHBondContact O-CB 3.45Å; D282-N286 PolarHBondContact O-N 2.76Å
283T88.4Confident86Confident55 Ų5540.6 Ų40.634%0.33721%0.213SC..Hα-helixtrans-60.8-29.4177.1-60.90000112Q277 M281Q277-T283 HydrophobicContact CB-CG2 4.49Å; Q277-T283 WeakPolarHBondContact O-CB 3.39Å; Q277-T283 PolarHBondContact O-OG1 3.4Å; M281-T283 PolarHBondContact O-N 3.03Å
284Y90.3Very high86.2Confident8 Ų844.1 Ų44.13%0.03123%0.231CC..Hα-helixtrans-102.1-26.2-179.7-57-72.1000112.9P239 A278 R280 M281 D282 V341 A344 Y346 F381P239-Y284 HydrophobicContact CG-CE1 4.06Å; A278-Y284 WeakPolarHBondContact O-CE2 3.14Å; A278-Y284 PolarHBondContact O-OH 2.85Å; R280-Y284 VanDerWaalsContact O-CD2 3.26Å; R280-Y284 WeakPolarHBondContact O-CD2 3.48Å; R280-Y284 WeakPolarHBondContact O-CE2 3.44Å; M281-Y284 PolarHBondContact O-N 2.91Å; D282-Y284 PolarHBondContact O-N 3.45Å; Y284-V341 HydrophobicContact CD2-CB 4.22Å; Y284-V341 HydrophobicContact CD2-CG1 3.97Å; Y284-V341 HydrophobicContact CD2-CG2 3.92Å; Y284-V341 HydrophobicContact CE2-CB 4.02Å; Y284-V341 HydrophobicContact CE2-CG1 3.95Å; Y284-V341 HydrophobicContact CE2-CG2 4.1Å; Y284-A344 HydrophobicContact CG-CB 4.47Å; Y284-Y346 WeakPolarHBondContact CA-OH 3.35Å; Y284-Y346 VanDerWaalsContact CB-OH 3.25Å; Y284-Y346 WeakPolarHBondContact CB-OH 3.4Å; Y284-Y346 WeakPolarHBondContact O-CE1 3.44Å; Y284-Y346 PolarHBondContact O-OH 2.83Å; Y284-F381 HydrophobicContact CD1-CD1 4.43Å; Y284-F381 AromaticContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CE1-CD1 4.04Å; Y284-F381 AromaticContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CZ 4.02Å; Y284-F381 HydrophobicContact CE2-CE1 4.3Å; Y284-F381 AromaticContact CZ-CE1 3.48Å; Y284-F381 VanDerWaalsContact CZ-CE1 3.48Å; Y284-F381 AromaticContact CZ-CZ 3.87Å; Y284-F381 WeakPolarHBondContact OH-CZ 3.45Å
285A88.6Confident85.9Confident8 Ų846.2 Ų46.27%0.06625%0.251CS..Hα-helixtrans-84.4-41179.200000113.2M281 D282 V287 V304M281-A285 PolarHBondContact O-N 2.84Å; D282-A285 PolarHBondContact O-N 3.39Å; A285-V287 PolarHBondContact O-N 2.98Å; A285-V304 HydrophobicContact CB-CG2 3.66Å
286N88.2Confident85.9Confident120 Ų12049.9 Ų49.964%0.64226%0.264SS*.SBendtrans-83.947.2-175.7-68.6-19.2000112.6D282D282-N286 VanDerWaalsContact O-CB 3.3Å; D282-N286 WeakPolarHBondContact O-CB 3.45Å; D282-N286 PolarHBondContact O-N 2.76Å
287V90.2Very high86Confident19 Ų1948.9 Ų48.912%0.11526%0.262CS..  trans-98.2132.7177.1178.90000109.1T226 F236 A285 L289 V302T226-V287 HydrophobicContact CG2-CG1 3.97Å; F236-V287 HydrophobicContact CD2-CG1 3.8Å; F236-V287 HydrophobicContact CE2-CB 4.49Å; F236-V287 HydrophobicContact CE2-CG1 3.71Å; F236-V287 HydrophobicContact CE2-CG2 4.17Å; A285-V287 PolarHBondContact O-N 2.98Å; V287-L289 HydrophobicContact CG1-CD2 4.09Å; V287-L289 HydrophobicContact CG1-CG 4.28Å; V287-V302 HydrophobicContact CB-CB 4.32Å; V287-V302 HydrophobicContact CB-CG2 3.83Å; V287-V302 HydrophobicContact CG1-CG2 4.07Å; V287-V302 WeakPolarHBondContact O-CG2 3.49Å; V287-V302 PolarHBondContact O-N 2.9Å
288Q91.9Very high86.2Confident88 Ų8845.4 Ų45.441%0.41126%0.257SS..EExtended strand (participates in β ladder)trans-113.6107.9175-70.4-175.334.900108.7T226 A227 V299T226-Q288 CarbonylContact C-O 3.57Å; T226-Q288 WeakPolarHBondContact CA-O 3.34Å; T226-Q288 WeakPolarHBondContact CB-O 3.38Å; A227-Q288 HydrophobicContact CB-CB 4.2Å; A227-Q288 PolarHBondContact N-O 3.29Å; Q288-V299 HydrophobicContact CB-CG1 3.66Å; Q288-V299 HydrophobicContact CG-CG1 4.1Å
289L92.9Very high86.5Confident0 Ų048.3 Ų48.30%027%0.273CS..EExtended strand (participates in β ladder)trans-86.3153178.4-64.4173000110.5T226 F236 V287 V299 V300 V302 I348 L356 A359T226-L289 HydrophobicContact CG2-CD2 4.06Å; F236-L289 HydrophobicContact CB-CD2 3.93Å; F236-L289 HydrophobicContact CD1-CD2 3.77Å; F236-L289 HydrophobicContact CD2-CD2 4.17Å; F236-L289 HydrophobicContact CE1-CD2 4.37Å; F236-L289 HydrophobicContact CG-CD2 3.69Å; V287-L289 HydrophobicContact CG1-CD2 4.09Å; V287-L289 HydrophobicContact CG1-CG 4.28Å; L289-V299 CarbonylContact O-C 3.47Å; L289-V299 WeakPolarHBondContact O-CA 3.29Å; L289-V300 HydrophobicContact CB-CB 4.43Å; L289-V300 PolarHBondContact N-O 3.4Å; L289-V300 PolarHBondContact O-N 2.84Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L289-V302 HydrophobicContact CG-CG2 4.19Å; L289-I348 HydrophobicContact CD1-CD1 3.97Å; L289-I348 HydrophobicContact CD1-CG1 4.33Å; L289-L356 HydrophobicContact CB-CD1 4.26Å; L289-L356 HydrophobicContact CD1-CD1 4.4Å; L289-A359 HydrophobicContact CD1-CB 3.66Å
290L92.6Very high86.8Confident10 Ų1048.9 Ų48.95%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-91.8133.5169.6-67.1178.9000110Y218 A225 A227 K233 G292 A297 V299 L356Y218-L290 WeakPolarHBondContact CE2-O 3.47Å; Y218-L290 PolarHBondContact OH-O 2.82Å; Y218-L290 VanDerWaalsContact OH-O 3.06Å; A225-L290 HydrophobicContact CB-CB 4.31Å; A225-L290 HydrophobicContact CB-CD1 3.83Å; A225-L290 HydrophobicContact CB-CG 4.37Å; A225-L290 PolarHBondContact O-N 3.32Å; A227-L290 HydrophobicContact CB-CD2 3.92Å; K233-L290 HydrophobicContact CD-CD1 3.92Å; K233-L290 HydrophobicContact CG-CD1 3.88Å; L290-G292 PolarHBondContact O-N 2.91Å; L290-A297 HydrophobicContact CB-CB 4.36Å; L290-V299 HydrophobicContact CD2-CG2 4.14Å; L290-L356 WeakPolarHBondContact O-CD1 3.48Å
291A91.3Very high87Confident12 Ų1249 Ų4910%0.09929%0.287CS..SBendtrans-63.1-25.1-177.700000113.6A298 V300 E355 L356A291-A298 HydrophobicContact CB-CB 4.19Å; A291-A298 VanDerWaalsContact CB-O 3.25Å; A291-A298 WeakPolarHBondContact CB-O 3.35Å; A291-A298 PolarHBondContact N-O 3.34Å; A291-V300 HydrophobicContact CB-CG2 3.83Å; A291-E355 CarbonylContact O-C 3.56Å; A291-E355 WeakPolarHBondContact O-CA 3.23Å; A291-L356 PolarHBondContact O-N 3.48Å
292G88.8Confident87.2Confident3 Ų349.1 Ų49.13%0.03129%0.288CS..SBendtrans-159.1-174.7-177.600000111.8S216 L290 A297S216-G292 CarbonylContact O-C 3.6Å; S216-G292 VanDerWaalsContact O-CA 3.31Å; S216-G292 WeakPolarHBondContact O-CA 3.5Å; L290-G292 PolarHBondContact O-N 2.91Å; G292-A297 VanDerWaalsContact O-CB 3.3Å; G292-A297 WeakPolarHBondContact O-CB 3.45Å
293R85.1Confident87.3Confident113 Ų11351.7 Ų51.743%0.42630%0.301SS..SBendtrans-82.8-21.3-174.6-61.6-176.4-9.3179.51113.3S216 Y218 D222 K233S216-R293 PolarHBondContact O-N 3.41Å; Y218-R293 HydrophobicContact CD1-CG 3.84Å; Y218-R293 HydrophobicContact CE1-CG 4.04Å; Y218-R293 HydrophobicContact CG-CG 4.37Å; D222-R293 IonicContact OD1-NH1 3.99Å; D222-R293 WeakPolarHBondContact OD2-CD 3.38Å; D222-R293 IonicContact OD2-CZ 3.94Å; D222-R293 IonicContact OD2-NE 3.51Å; D222-R293 IonicContact OD2-NH1 3Å; D222-R293 PolarHBondContact OD2-NH1 3.15Å; K233-R293 PolarHBondContact NZ-O 2.87Å
294N79.1Confident87.1Confident75 Ų7551.6 Ų51.640%0.40130%0.301SS..SBendtrans-64154.8-173.1-66.8-6.9000112.7S216 K233 D296 A297S216-N294 WeakPolarHBondContact CB-ND2 3.3Å; K233-N294 VanDerWaalsContact NZ-C 3.32Å; K233-N294 PolarHBondContact NZ-O 3.37Å; N294-D296 PolarHBondContact O-N 2.88Å; N294-A297 WeakPolarHBondContact O-CB 3.36Å; N294-A297 PolarHBondContact O-N 3.44Å
295A67.3Low86.6Confident82 Ų8254.2 Ų54.268%0.67832%0.324SS*.THydrogen-bonded Turntrans-56.1-38.3177.100000112.1
296D74.7Confident86.3Confident159 Ų15954.9 Ų54.985%0.8533%0.328SS*.THydrogen-bonded Turntrans-96.821-177-48.2-47.7000113.3N294 A298N294-D296 PolarHBondContact O-N 2.88Å; D296-A298 PolarHBondContact O-N 3.05Å
297A81.4Confident86Confident20 Ų2049.1 Ų49.117%0.16530%0.297CS..PPolyproline II helixtrans-60.4132.5-179.700000111.1L290 G292 N294L290-A297 HydrophobicContact CB-CB 4.36Å; G292-A297 VanDerWaalsContact O-CB 3.3Å; G292-A297 WeakPolarHBondContact O-CB 3.45Å; N294-A297 WeakPolarHBondContact O-CB 3.36Å; N294-A297 PolarHBondContact O-N 3.44Å
298A87.3Confident85.6Confident67 Ų6750.2 Ų50.255%0.55430%0.302SS*.PPolyproline II helixtrans-60.2149.7176.600000111.2A291 D296A291-A298 HydrophobicContact CB-CB 4.19Å; A291-A298 VanDerWaalsContact CB-O 3.25Å; A291-A298 WeakPolarHBondContact CB-O 3.35Å; A291-A298 PolarHBondContact N-O 3.34Å; D296-A298 PolarHBondContact O-N 3.05Å
299V90Very high85.1Confident71 Ų7148.7 Ų48.743%0.4330%0.296SS..EExtended strand (participates in β ladder)trans-86.8129.9175.3-178.10000109.4A227 Q288 L289 L290A227-V299 HydrophobicContact CB-CG1 4.31Å; A227-V299 HydrophobicContact CB-CG2 3.93Å; Q288-V299 HydrophobicContact CB-CG1 3.66Å; Q288-V299 HydrophobicContact CG-CG1 4.1Å; L289-V299 CarbonylContact O-C 3.47Å; L289-V299 WeakPolarHBondContact O-CA 3.29Å; L290-V299 HydrophobicContact CD2-CG2 4.14Å
300V92.1Very high84.5Confident12 Ų1251.6 Ų51.67%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-108.3102.4174.5-176.20000107.7L289 A291 L356 A359L289-V300 HydrophobicContact CB-CB 4.43Å; L289-V300 PolarHBondContact N-O 3.4Å; L289-V300 PolarHBondContact O-N 2.84Å; A291-V300 HydrophobicContact CB-CG2 3.83Å; V300-L356 HydrophobicContact CG2-CB 4.32Å; V300-A359 HydrophobicContact CG1-CB 4.36Å
301P91.4Very high83.7Confident72 Ų7253.6 Ų53.647%0.46833%0.325SS..EExtended strand (participates in β ladder)trans-66.8148.3174.929.4-33.7000110.3
302V92.4Very high82.8Confident11 Ų1159 Ų597%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-86.3116.1172.2178.50000109.3V287 L289 Y346 A359 V361V287-V302 HydrophobicContact CB-CB 4.32Å; V287-V302 HydrophobicContact CB-CG2 3.83Å; V287-V302 HydrophobicContact CG1-CG2 4.07Å; V287-V302 WeakPolarHBondContact O-CG2 3.49Å; V287-V302 PolarHBondContact O-N 2.9Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L289-V302 HydrophobicContact CG-CG2 4.19Å; V302-Y346 HydrophobicContact CG1-CD1 4.1Å; V302-Y346 HydrophobicContact CG1-CE1 3.98Å; V302-A359 CarbonylContact C-O 3.55Å; V302-A359 WeakPolarHBondContact CA-O 3.46Å; V302-A359 HydrophobicContact CG2-CB 3.91Å; V302-V361 HydrophobicContact CG1-CB 3.75Å; V302-V361 HydrophobicContact CG1-CG1 3.74Å
303D88.7Confident81.8Confident81 Ų8168.6 Ų68.643%0.43339%0.391SS..EExtended strand (participates in β ladder)trans-85.3141178.3-63.3-41.8000111.1A305 A359 S360 V361D303-A305 PolarHBondContact O-N 3.07Å; D303-A359 PolarHBondContact N-O 2.82Å; D303-S360 CarbonylContact O-C 3.58Å; D303-S360 WeakPolarHBondContact O-CA 3.49Å; D303-V361 PolarHBondContact O-N 3.38Å
304V85.9Confident81.1Confident53 Ų5365 Ų6532%0.32139%0.389SS..EExtended strand (participates in β ladder)trans-79.2111.2174.3-179.50000109.1M281 A285 V307 V361M281-V304 HydrophobicContact CE-CG1 3.85Å; M281-V304 HydrophobicContact CE-CG2 4.07Å; A285-V304 HydrophobicContact CB-CG2 3.66Å; V304-V307 HydrophobicContact CG1-CG2 3.71Å; V304-V361 HydrophobicContact CG2-CG1 4.24Å
305A79.9Confident80.7Confident63 Ų6364.3 Ų64.352%0.52140%0.395SS..EExtended strand (participates in β ladder)trans-80-42.4-179.400000112.6D303 V361D303-A305 PolarHBondContact O-N 3.07Å; A305-V361 PolarHBondContact N-O 3.25Å
306S81.4Confident81.2Confident21 Ų2166 Ų6615%0.14739%0.389CS..EExtended strand (participates in β ladder)trans-160.5145.6-177.265.60000111.4S362 L363S306-S362 WeakPolarHBondContact O-CA 3.38Å; S306-S362 VanDerWaalsContact OG-CB 3.29Å; S306-S362 WeakPolarHBondContact OG-CB 3.44Å; S306-S362 PolarHBondContact OG-OG 2.83Å; S306-L363 PolarHBondContact O-N 2.54Å
307V82Confident81Confident0 Ų062.8 Ų62.80%037%0.374CS..EExtended strand (participates in β ladder)trans-124.3124.1172.3-179.50000109.4M281 V304 L319 V321 L363 L365M281-V307 HydrophobicContact CE-CG2 3.38Å; M281-V307 HydrophobicContact SD-CG2 4.07Å; V304-V307 HydrophobicContact CG1-CG2 3.71Å; V307-L319 HydrophobicContact CG1-CD1 4.09Å; V307-L319 PolarHBondContact O-N 2.8Å; V307-V321 HydrophobicContact CB-CG2 3.69Å; V307-V321 HydrophobicContact CG2-CG2 3.49Å; V307-V321 VanDerWaalsContact CG2-CG2 3.49Å; V307-L363 WeakPolarHBondContact CA-O 3.38Å; V307-L365 HydrophobicContact CG1-CD1 3.63Å; V307-L365 HydrophobicContact CG1-CG 3.85Å
308I80.9Confident80.8Confident42 Ų4268.6 Ų68.622%0.21540%0.398CS..EExtended strand (participates in β ladder)trans-112.6126.6-178.8-59.8174.7000109.1Q316 T317 L363 V364 L365I308-Q316 HydrophobicContact CG2-CB 3.7Å; I308-Q316 HydrophobicContact CG2-CG 3.93Å; I308-T317 CarbonylContact C-O 3.52Å; I308-T317 WeakPolarHBondContact CA-O 3.47Å; I308-L363 PolarHBondContact N-O 3.05Å; I308-V364 HydrophobicContact CB-CG2 4.36Å; I308-V364 CarbonylContact O-C 3.53Å; I308-V364 WeakPolarHBondContact O-CA 3.42Å; I308-L365 PolarHBondContact O-N 3.49Å
309L81.4Confident80Confident55 Ų5567.5 Ų67.529%0.28838%0.383SS..EExtended strand (participates in β ladder)trans-86125.5168.3-65.8-179000110.2Q316 T317 L319 L365L309-Q316 CarbonylContact O-C 3.58Å; L309-Q316 VanDerWaalsContact O-CA 3.31Å; L309-Q316 WeakPolarHBondContact O-CA 3.1Å; L309-T317 PolarHBondContact N-O 3.42Å; L309-T317 PolarHBondContact O-N 2.03Å; L309-L319 HydrophobicContact CD1-CD1 3.79Å; L309-L319 HydrophobicContact CD1-CD2 3.79Å; L309-L319 HydrophobicContact CD1-CG 3.92Å; L309-L319 HydrophobicContact CD2-CD1 3.77Å; L309-L319 HydrophobicContact CG-CD1 3.53Å; L309-L319 HydrophobicContact CG-CD2 4.25Å; L309-L319 HydrophobicContact CG-CG 3.8Å; L309-L365 CarbonylContact C-O 3.54Å; L309-L365 WeakPolarHBondContact CA-O 3.08Å; L309-L365 HydrophobicContact CD2-CB 3.96Å; L309-L365 HydrophobicContact CD2-CD1 4.25Å
310Q81.3Confident78.6Confident61 Ų6170.5 Ų70.529%0.28540%0.402SS..EExtended strand (participates in β ladder)trans-109.9122176.1-176.4171.3-36.800110.9A315 Q316 L342 V364 L365 G366Q310-A315 WeakPolarHBondContact CA-O 3.44Å; Q310-Q316 HydrophobicContact CB-CG 4.39Å; Q310-Q316 HydrophobicContact CG-CG 4.33Å; Q310-L342 HydrophobicContact CB-CD1 4.46Å; Q310-V364 HydrophobicContact CB-CG1 3.77Å; Q310-L365 PolarHBondContact N-O 3.36Å; Q310-G366 WeakPolarHBondContact O-CA 3.33Å
311S75.6Confident76.9Confident52 Ų5272.4 Ų72.436%0.36441%0.413SS..  trans-74166.1173.573.40000112.4K313 G314 A315S311-K313 PolarHBondContact O-N 2.89Å; S311-K313 VanDerWaalsContact O-N 3.13Å; S311-K313 PolarHBondContact OG-N 2.86Å; S311-G314 PolarHBondContact O-N 2.82Å; S311-G314 PolarHBondContact OG-N 3.02Å; S311-A315 PolarHBondContact N-O 2.84Å; S311-A315 WeakPolarHBondContact OG-CB 3.38Å; S311-A315 PolarHBondContact OG-N 2.91Å; S311-A315 PolarHBondContact OG-O 3.11Å
312I71.7Confident75.2Confident126 Ų12672.6 Ų72.665%0.64642%0.416SS*.THydrogen-bonded Turntrans-56.2-30.6175.2-51.6172.3000111.9G314 F367I312-G314 VanDerWaalsContact C-N 3.33Å; I312-F367 HydrophobicContact CD1-CD1 3.44Å; I312-F367 VanDerWaalsContact CD1-CD1 3.44Å; I312-F367 HydrophobicContact CD1-CE1 3.64Å; I312-F367 HydrophobicContact CD1-CG 4.42Å; I312-F367 HydrophobicContact CG1-CB 4.29Å; I312-F367 HydrophobicContact CG1-CD1 3.53Å; I312-F367 HydrophobicContact CG1-CE1 4.26Å; I312-F367 HydrophobicContact CG1-CG 4.24Å
313K69.2Low72.9Confident204 Ų20480.6 Ų80.689%0.88746%0.458SS*.THydrogen-bonded Turntrans-918.5179.4-63.2-173.7178-175.50113.3S311 A315S311-K313 PolarHBondContact O-N 2.89Å; S311-K313 VanDerWaalsContact O-N 3.13Å; S311-K313 PolarHBondContact OG-N 2.86Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 2.74Å
314G68.7Low71.1Confident37 Ų3780.3 Ų80.338%0.38148%0.475SS..  trans81.50.9177.700000115.9S311 I312 Q316S311-G314 PolarHBondContact O-N 2.82Å; S311-G314 PolarHBondContact OG-N 3.02Å; I312-G314 VanDerWaalsContact C-N 3.33Å; G314-Q316 PolarHBondContact O-N 2.87Å
315A71.3Confident69.7Low62 Ų6283.1 Ų83.151%0.51248%0.484SS..  trans-64.2134.3171.100000110.5Q310 S311 K313Q310-A315 WeakPolarHBondContact CA-O 3.44Å; S311-A315 PolarHBondContact N-O 2.84Å; S311-A315 WeakPolarHBondContact OG-CB 3.38Å; S311-A315 PolarHBondContact OG-N 2.91Å; S311-A315 PolarHBondContact OG-O 3.11Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 2.74Å
316Q76.9Confident68.8Low118 Ų11885.1 Ų85.155%0.55149%0.486SS*.EExtended strand (participates in β ladder)trans-116134.7-175.3-72.3-179.2-6.700111I308 L309 Q310 G314I308-Q316 HydrophobicContact CG2-CB 3.7Å; I308-Q316 HydrophobicContact CG2-CG 3.93Å; L309-Q316 CarbonylContact O-C 3.58Å; L309-Q316 VanDerWaalsContact O-CA 3.31Å; L309-Q316 WeakPolarHBondContact O-CA 3.1Å; Q310-Q316 HydrophobicContact CB-CG 4.39Å; Q310-Q316 HydrophobicContact CG-CG 4.33Å; G314-Q316 PolarHBondContact O-N 2.87Å
317T72.3Confident68.3Low90 Ų9086.1 Ų86.155%0.55249%0.488SS*.EExtended strand (participates in β ladder)trans-131.1126.9175.1-54.90000109.1I308 L309I308-T317 CarbonylContact C-O 3.52Å; I308-T317 WeakPolarHBondContact CA-O 3.47Å; L309-T317 PolarHBondContact N-O 3.42Å; L309-T317 PolarHBondContact O-N 2.03Å
318E75.5Confident68.1Low142 Ų14289.9 Ų89.966%0.66451%0.508SS*.EExtended strand (participates in β ladder)trans-77133.7174.5-172.7170.9-157.800110.7
319L71.1Confident68.1Low44 Ų4488.2 Ų88.223%0.2350%0.499CS..EExtended strand (participates in β ladder)trans-94.2134.9174.2-71.8172.7000110.1V307 L309 V321 F327V307-L319 HydrophobicContact CG1-CD1 4.09Å; V307-L319 PolarHBondContact O-N 2.8Å; L309-L319 HydrophobicContact CD1-CD1 3.79Å; L309-L319 HydrophobicContact CD1-CD2 3.79Å; L309-L319 HydrophobicContact CD1-CG 3.92Å; L309-L319 HydrophobicContact CD2-CD1 3.77Å; L309-L319 HydrophobicContact CG-CD1 3.53Å; L309-L319 HydrophobicContact CG-CD2 4.25Å; L309-L319 HydrophobicContact CG-CG 3.8Å; L319-V321 PolarHBondContact O-N 2.79Å; L319-F327 HydrophobicContact CD1-CE1 4.09Å; L319-F327 HydrophobicContact CD1-CE2 4.3Å; L319-F327 HydrophobicContact CD1-CZ 3.94Å
320T60.3Low68.1Low135 Ų13589.1 Ų89.183%0.82851%0.507SS*.  trans-74.691.6165.5520000108.5S322T320-S322 PolarHBondContact O-N 2.74Å
321V57.9Low67.8Low52 Ų5292.7 Ų92.732%0.31552%0.518SS..  trans-69.1118.3176.6-174.90000108.1V307 L319V307-V321 HydrophobicContact CB-CG2 3.69Å; V307-V321 HydrophobicContact CG2-CG2 3.49Å; V307-V321 VanDerWaalsContact CG2-CG2 3.49Å; L319-V321 PolarHBondContact O-N 2.79Å
322S54.6Low67.5Low76 Ų7692.1 Ų92.153%0.53151%0.512SS..  trans-85.9141.2163.7-60.30000108.1T320 G324 E325T320-S322 PolarHBondContact O-N 2.74Å; S322-G324 PolarHBondContact O-N 2.81Å; S322-E325 PolarHBondContact O-N 3.45Å
323D45.1Very low67Low178 Ų17893.7 Ų93.795%0.95253%0.528SS*.THydrogen-bonded Turntrans-50.2113179.3-74.6-27.4000110.8
324G50Low66.7Low75 Ų7587 Ų8777%0.77351%0.507SS*.THydrogen-bonded Turntrans102.88.2173.400000117.9S322 D326S322-G324 PolarHBondContact O-N 2.81Å; G324-D326 PolarHBondContact O-N 3.21Å
325E57Low66.6Low112 Ų11287.5 Ų87.552%0.52351%0.505SS..  trans-82.4102.1169.2-74.6-161.3152.200112.2S322 F327S322-E325 PolarHBondContact O-N 3.45Å; E325-F327 HydrophobicContact CB-CE2 4.12Å; E325-F327 HydrophobicContact CB-CZ 4.38Å; E325-F327 WeakPolarHBondContact O-CD2 3.46Å; E325-F327 PolarHBondContact O-N 3Å
326D60.5Low66.8Low106 Ų10684.6 Ų84.657%0.56748%0.481SS*.  trans-76.2107.3172.5-81.6-27.3000111.3G324 L328G324-D326 PolarHBondContact O-N 3.21Å; D326-L328 PolarHBondContact O-N 3Å
327F71.6Confident67Low42 Ų4279 Ų7918%0.18446%0.455CS..  trans-80.182.1171.5-67.2-82.6000110.6M281 L319 E325 L365M281-F327 HydrophobicContact SD-CB 4.26Å; M281-F327 HydrophobicContact SD-CD2 4.12Å; L319-F327 HydrophobicContact CD1-CE1 4.09Å; L319-F327 HydrophobicContact CD1-CE2 4.3Å; L319-F327 HydrophobicContact CD1-CZ 3.94Å; E325-F327 HydrophobicContact CB-CE2 4.12Å; E325-F327 HydrophobicContact CB-CZ 4.38Å; E325-F327 WeakPolarHBondContact O-CD2 3.46Å; E325-F327 PolarHBondContact O-N 3Å; F327-L365 HydrophobicContact CB-CD1 3.88Å; F327-L365 HydrophobicContact CG-CD1 4.29Å
328L77.3Confident67.6Low79 Ų7975.5 Ų75.541%0.41444%0.435SS..  trans-69141.6174-68.4173000111.1D326 V330D326-L328 PolarHBondContact O-N 3Å; L328-V330 PolarHBondContact O-N 2.98Å
329P81.6Confident68.1Low6 Ų670.5 Ų70.54%0.03941%0.413CS..  trans-58.2120.8172.5-24.733.9000110.8C273 L279 R280 A338 M340C273-P329 HydrophobicContact CB-CB 3.89Å; L279-P329 HydrophobicContact CB-CG 4.21Å; R280-P329 HydrophobicContact CG-CG 4.13Å; P329-A338 VanDerWaalsContact CA-O 3.3Å; P329-A338 WeakPolarHBondContact CA-O 3.44Å; P329-M340 HydrophobicContact CB-CG 4.2Å
330V80.2Confident68.9Low75 Ų7568.4 Ų68.446%0.45540%0.402SS..EExtended strand (participates in β ladder)trans-114138.1-175.868.80000110.9L328 A338L328-V330 PolarHBondContact O-N 2.98Å; V330-A338 HydrophobicContact CG1-CB 4.04Å; V330-A338 PolarHBondContact N-O 2.7Å; V330-A338 VanDerWaalsContact N-O 3.09Å; V330-A338 PolarHBondContact O-N 3.06Å
331R74.9Confident70.3Confident135 Ų13562 Ų6251%0.50936%0.362SS..EExtended strand (participates in β ladder)trans-78.1126.1174-162.8170.9-173.3172.30.7109.7G271G271-R331 WeakPolarHBondContact O-CD 3.41Å; G271-R331 PolarHBondContact O-NH1 3.4Å
332T69.7Low71.8Confident40 Ų4061 Ų6125%0.24536%0.355CS..EExtended strand (participates in β ladder)trans-93.6157.5177.257.90000111.6S334 S335 G336 A338 F367T332-S334 PolarHBondContact O-N 2.62Å; T332-S335 PolarHBondContact O-N 2.82Å; T332-G336 PolarHBondContact N-O 3.46Å; T332-G336 PolarHBondContact OG1-O 3.46Å; T332-A338 HydrophobicContact CG2-CB 3.86Å; T332-F367 HydrophobicContact CG2-CE2 3.87Å; T332-F367 VanDerWaalsContact OG1-CE2 3.24Å; T332-F367 WeakPolarHBondContact OG1-CE2 3.42Å
333T62.2Low73.6Confident160 Ų16060.1 Ų60.198%0.98234%0.342SS*.THydrogen-bonded Turntrans-58.9-16.3-177.152.10000114.6
334S61.2Low75.8Confident64 Ų6451.7 Ų51.745%0.44830%0.296SS..THydrogen-bonded Turntrans-98.521.3-177600000114.5T332 G336T332-S334 PolarHBondContact O-N 2.62Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 3.43Å
335S66.8Low77.8Confident47 Ų4749.3 Ų49.333%0.32927%0.267SS..THydrogen-bonded Turntrans62.332.6-174.669.80000114.1T332 T370T332-S335 PolarHBondContact O-N 2.82Å; S335-T370 WeakPolarHBondContact O-CB 3.49Å; S335-T370 WeakPolarHBondContact O-CG2 3.28Å; S335-T370 PolarHBondContact O-N 2.89Å; S335-T370 VanDerWaalsContact O-N 3.13Å; S335-T370 PolarHBondContact O-OG1 2.82Å
336G75.4Confident79.5Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-117.8156.4172.700000112.6T332 S334 V368T332-G336 PolarHBondContact N-O 3.46Å; T332-G336 PolarHBondContact OG1-O 3.46Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 3.43Å; G336-V368 CarbonylContact C-O 3.5Å; G336-V368 WeakPolarHBondContact CA-O 2.91Å
337C82.1Confident81Confident2 Ų240.5 Ų40.51%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-98133169-64.60000108.6C273 M340 F367 V368C273-C337 HydrophobicContact CB-CB 3.73Å; C273-C337 WeakPolarHBondContact CB-SG 3.49Å; C273-C337 WeakPolarHBondContact SG-CB 3.26Å; C273-C337 CovalentContact SG-SG 2.03Å; C273-C337 PolarHBondContact SG-SG 3.21Å; C337-M340 HydrophobicContact CB-CE 3.66Å; C337-M340 HydrophobicContact CB-CG 4.11Å; C337-M340 HydrophobicContact CB-SD 3.32Å; C337-M340 WeakPolarHBondContact CB-SD 3.25Å; C337-M340 WeakPolarHBondContact O-CE 3.39Å; C337-F367 WeakPolarHBondContact O-CA 3.4Å; C337-F367 WeakPolarHBondContact O-CD2 3.35Å; C337-V368 PolarHBondContact N-O 2.97Å; C337-V368 PolarHBondContact O-N 3.41Å
338A84.7Confident82Confident15 Ų1538.5 Ų38.512%0.12422%0.215CC..EExtended strand (participates in β ladder)trans-108.6165.9172.500000110.2P329 V330 T332 M340 F367P329-A338 VanDerWaalsContact CA-O 3.3Å; P329-A338 WeakPolarHBondContact CA-O 3.44Å; V330-A338 HydrophobicContact CG1-CB 4.04Å; V330-A338 PolarHBondContact N-O 2.7Å; V330-A338 VanDerWaalsContact N-O 3.09Å; V330-A338 PolarHBondContact O-N 3.06Å; T332-A338 HydrophobicContact CG2-CB 3.86Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.91Å; A338-F367 HydrophobicContact CB-CD2 3.88Å; A338-F367 HydrophobicContact CB-CE2 4.47Å
339N86.4Confident82.7Confident38 Ų3838.1 Ų38.120%0.20321%0.211CC..EExtended strand (participates in β ladder)trans60.733.3177.1-54.1-18000114.2L365 G366N339-L365 HydrophobicContact CB-CD1 4.49Å; N339-G366 PolarHBondContact N-O 3.15Å
340M87.2Confident83Confident0 Ų040.3 Ų40.30%022%0.218CC..EExtended strand (participates in β ladder)trans-91.8139.6175.3-63.7168.6-6500110.7L279 P329 C337 A338 L342 L365 G366 V368 L377L279-M340 HydrophobicContact CB-CB 4.42Å; L279-M340 HydrophobicContact CB-CG 4.24Å; L279-M340 HydrophobicContact CD1-CG 4.26Å; L279-M340 HydrophobicContact CD1-SD 4.07Å; P329-M340 HydrophobicContact CB-CG 4.2Å; C337-M340 HydrophobicContact CB-CE 3.66Å; C337-M340 HydrophobicContact CB-CG 4.11Å; C337-M340 HydrophobicContact CB-SD 3.32Å; C337-M340 WeakPolarHBondContact CB-SD 3.25Å; C337-M340 WeakPolarHBondContact O-CE 3.39Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.91Å; M340-L342 PolarHBondContact O-N 3Å; M340-L365 CarbonylContact O-C 3.57Å; M340-L365 WeakPolarHBondContact O-CA 3.45Å; M340-G366 PolarHBondContact N-O 3.33Å; M340-G366 VanDerWaalsContact N-O 3.16Å; M340-G366 PolarHBondContact O-N 2.76Å; M340-V368 HydrophobicContact CE-CB 3.46Å; M340-V368 VanDerWaalsContact CE-CB 3.46Å; M340-V368 HydrophobicContact CE-CG2 3.37Å; M340-V368 VanDerWaalsContact CE-N 3.26Å; M340-V368 HydrophobicContact SD-CB 4.44Å; M340-V368 HydrophobicContact SD-CG2 4.39Å; M340-L377 HydrophobicContact CB-CD2 4.48Å; M340-L377 HydrophobicContact SD-CD2 4.43Å
341V90.2Very high83.4Confident0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-65.6116.4175.6-179.60000110.3L279 M281 Y284 A344 L363 L365 Q379L279-V341 PolarHBondContact O-N 2.82Å; L279-V341 VanDerWaalsContact O-N 3.08Å; M281-V341 HydrophobicContact CB-CG2 4.38Å; Y284-V341 HydrophobicContact CD2-CB 4.22Å; Y284-V341 HydrophobicContact CD2-CG1 3.97Å; Y284-V341 HydrophobicContact CD2-CG2 3.92Å; Y284-V341 HydrophobicContact CE2-CB 4.02Å; Y284-V341 HydrophobicContact CE2-CG1 3.95Å; Y284-V341 HydrophobicContact CE2-CG2 4.1Å; V341-A344 HydrophobicContact CG1-CB 4.45Å; V341-L363 HydrophobicContact CG1-CD2 3.92Å; V341-L363 HydrophobicContact CG2-CD2 4.32Å; V341-L365 HydrophobicContact CB-CD2 4.4Å; V341-L365 HydrophobicContact CG2-CD2 3.68Å; V341-Q379 PolarHBondContact O-NE2 2.83Å
342L89.4Confident83.7Confident31 Ų3141.3 Ų41.316%0.16224%0.238CC..EExtended strand (participates in β ladder)trans-94.9-35.5171-61.6-173.7000111.6Q310 M340 V364 L377 Q379 E380Q310-L342 HydrophobicContact CB-CD1 4.46Å; M340-L342 PolarHBondContact O-N 3Å; L342-V364 PolarHBondContact N-O 3.36Å; L342-L377 HydrophobicContact CD2-CD1 3.5Å; L342-L377 VanDerWaalsContact CD2-CD1 3.5Å; L342-L377 HydrophobicContact CD2-CD2 4.19Å; L342-L377 HydrophobicContact CD2-CG 4.22Å; L342-Q379 CarbonylContact O-C 3.51Å; L342-Q379 VanDerWaalsContact O-CA 3.26Å; L342-Q379 WeakPolarHBondContact O-CA 3.12Å; L342-E380 PolarHBondContact O-N 3Å
343K91.3Very high84.3Confident58 Ų5841.9 Ų41.925%0.25224%0.244SC..EExtended strand (participates in β ladder)trans-144.5138.7-178.7178.1169.8174.9156.40111.3V345 L363 V364 E380K343-V345 HydrophobicContact CD-CG2 4.22Å; K343-V345 HydrophobicContact CG-CG2 4.04Å; K343-L363 CarbonylContact O-C 3.52Å; K343-L363 WeakPolarHBondContact O-CA 3.28Å; K343-V364 HydrophobicContact CB-CB 4Å; K343-V364 HydrophobicContact CB-CG2 4.02Å; K343-V364 PolarHBondContact N-O 2.93Å; K343-V364 PolarHBondContact O-N 3.17Å; K343-E380 CarbonylContact C-O 3.54Å; K343-E380 WeakPolarHBondContact CA-O 3.34Å; K343-E380 HydrophobicContact CB-CB 4.36Å; K343-E380 HydrophobicContact CD-CB 4.39Å; K343-E380 HydrophobicContact CD-CG 4.39Å; K343-E380 WeakPolarHBondContact CE-OE1 3.17Å; K343-E380 HydrophobicContact CG-CB 4.19Å; K343-E380 HydrophobicContact CG-CG 4.5Å; K343-E380 IonicContact NZ-OE1 2.74Å; K343-E380 PolarHBondContact NZ-OE1 2.85Å
344A92.4Very high85.4Confident0 Ų034.6 Ų34.60%020%0.2CC..EExtended strand (participates in β ladder)trans-129.3127.8170.400000110.1Y284 V341 Y346 V361 L363 E380 F381 Q382Y284-A344 HydrophobicContact CG-CB 4.47Å; V341-A344 HydrophobicContact CG1-CB 4.45Å; A344-Y346 HydrophobicContact CB-CE2 4.18Å; A344-V361 HydrophobicContact CB-CG2 4.33Å; A344-L363 HydrophobicContact CB-CD2 3.64Å; A344-E380 PolarHBondContact N-O 2.94Å; A344-F381 HydrophobicContact CB-CD1 3.93Å; A344-F381 HydrophobicContact CB-CE1 4.24Å; A344-F381 WeakPolarHBondContact O-CA 3.48Å; A344-Q382 PolarHBondContact O-N 3.39Å
345V92.1Very high86.8Confident25 Ų2534.4 Ų34.415%0.15219%0.192CC..EExtended strand (participates in β ladder)trans-121.1112.5-179.7-175.70000108.8K343 V361 S362 Q382 I384K343-V345 HydrophobicContact CD-CG2 4.22Å; K343-V345 HydrophobicContact CG-CG2 4.04Å; V345-V361 CarbonylContact O-C 3.58Å; V345-V361 WeakPolarHBondContact O-CA 3.25Å; V345-S362 PolarHBondContact N-O 3.07Å; V345-S362 PolarHBondContact O-N 3.32Å; V345-Q382 CarbonylContact C-O 3.52Å; V345-Q382 WeakPolarHBondContact CA-O 3.46Å; V345-Q382 HydrophobicContact CG1-CB 4.22Å; V345-Q382 HydrophobicContact CG1-CG 4.37Å; V345-Q382 HydrophobicContact CG2-CB 4.26Å; V345-I384 HydrophobicContact CG1-CD1 4.12Å
346Y93.1Very high88Confident1 Ų132.5 Ų32.50%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-92.4133.6175.2-66.7-93.4000110.4F236 L238 Y284 V302 A344 S360 V361 Q382 V383 I384F236-Y346 HydrophobicContact CE2-CE1 4.42Å; F236-Y346 AromaticContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD2 4.32Å; F236-Y346 AromaticContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE2 4.15Å; F236-Y346 HydrophobicContact CZ-CG 4.24Å; F236-Y346 AromaticContact CZ-CZ 3.87Å; L238-Y346 HydrophobicContact CD1-CD2 4.23Å; L238-Y346 HydrophobicContact CD1-CE2 4.39Å; L238-Y346 HydrophobicContact CD2-CD2 4.14Å; L238-Y346 HydrophobicContact CD2-CE2 3.48Å; L238-Y346 VanDerWaalsContact CD2-CE2 3.48Å; Y284-Y346 WeakPolarHBondContact CA-OH 3.35Å; Y284-Y346 VanDerWaalsContact CB-OH 3.25Å; Y284-Y346 WeakPolarHBondContact CB-OH 3.4Å; Y284-Y346 WeakPolarHBondContact O-CE1 3.44Å; Y284-Y346 PolarHBondContact O-OH 2.83Å; V302-Y346 HydrophobicContact CG1-CD1 4.1Å; V302-Y346 HydrophobicContact CG1-CE1 3.98Å; A344-Y346 HydrophobicContact CB-CE2 4.18Å; Y346-S360 CarbonylContact C-O 3.58Å; Y346-S360 WeakPolarHBondContact CA-O 3.27Å; Y346-V361 HydrophobicContact CD1-CB 3.94Å; Y346-V361 HydrophobicContact CD1-CG2 3.98Å; Y346-V361 HydrophobicContact CD2-CG2 4.26Å; Y346-V361 HydrophobicContact CE1-CB 3.89Å; Y346-V361 HydrophobicContact CE1-CG2 3.78Å; Y346-V361 HydrophobicContact CE2-CG2 4.06Å; Y346-V361 HydrophobicContact CG-CG2 4.23Å; Y346-Q382 PolarHBondContact N-O 3.04Å; Y346-V383 HydrophobicContact CD2-CG2 4.45Å; Y346-V383 CarbonylContact O-C 3.56Å; Y346-V383 WeakPolarHBondContact O-CA 3.38Å; Y346-I384 PolarHBondContact O-N 3.22Å
347V90.8Very high88.8Confident32 Ų3235 Ų3519%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-119.2113.7170.3-1790000107.4A359 S360 I384V347-A359 WeakPolarHBondContact O-CA 3.22Å; V347-S360 PolarHBondContact N-O 2.86Å; V347-S360 PolarHBondContact O-N 3.28Å; V347-I384 CarbonylContact C-O 3.59Å; V347-I384 WeakPolarHBondContact CA-O 3.38Å
348I93.1Very high89.2Confident0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-110.8119.5-176.3-56.4176.7000108.6L224 L289 L356 A359 V383 I384 F385 Q386L224-I348 HydrophobicContact CD1-CD1 3.53Å; L289-I348 HydrophobicContact CD1-CD1 3.97Å; L289-I348 HydrophobicContact CD1-CG1 4.33Å; I348-L356 HydrophobicContact CG2-CB 4.47Å; I348-L356 HydrophobicContact CG2-CD1 4.12Å; I348-L356 HydrophobicContact CG2-CD2 3.82Å; I348-L356 HydrophobicContact CG2-CG 4.36Å; I348-A359 HydrophobicContact CG1-CB 4.21Å; I348-V383 HydrophobicContact CD1-CG1 3.76Å; I348-V383 HydrophobicContact CG1-CG1 4.33Å; I348-I384 PolarHBondContact N-O 3.22Å; I348-F385 HydrophobicContact CB-CD1 3.99Å; I348-F385 HydrophobicContact CB-CE1 4.08Å; I348-F385 HydrophobicContact CD1-CE1 4Å; I348-F385 HydrophobicContact CD1-CZ 4.29Å; I348-F385 HydrophobicContact CG2-CD1 4.21Å; I348-F385 HydrophobicContact CG2-CE1 4.15Å; I348-F385 WeakPolarHBondContact O-CA 3.16Å; I348-Q386 PolarHBondContact O-N 2.87Å
349K91.1Very high89.5Confident72 Ų7237 Ų3731%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-93.3135.7178.4-66.7-176.8-179.8176.60111.8L356 V357 N358 Q386K349-L356 WeakPolarHBondContact O-CA 3.46Å; K349-V357 PolarHBondContact O-N 2.82Å; K349-N358 HydrophobicContact CB-CB 4.3Å; K349-N358 HydrophobicContact CD-CB 4.48Å; K349-N358 PolarHBondContact N-O 3.48Å; K349-Q386 CarbonylContact C-O 3.09Å; K349-Q386 WeakPolarHBondContact CA-O 3.41Å; K349-Q386 HydrophobicContact CG-CB 4.34Å
350Y89.8Confident89.8Confident51 Ų5136.4 Ų36.420%0.220%0.2CC..EExtended strand (participates in β ladder)trans-137.1150.1-176.169.1-84.3000112.9F255 L256 E355 F385 Q386 A387 D388F255-Y350 HydrophobicContact CE2-CD1 4.39Å; F255-Y350 HydrophobicContact CE2-CD2 4.32Å; F255-Y350 AromaticContact CE2-CG 3.92Å; F255-Y350 HydrophobicContact CE2-CG 3.92Å; F255-Y350 AromaticContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CE2 4.44Å; F255-Y350 AromaticContact CZ-CG 3.84Å; F255-Y350 HydrophobicContact CZ-CG 3.84Å; L256-Y350 HydrophobicContact CD2-CD1 4.02Å; L256-Y350 HydrophobicContact CD2-CD2 4.3Å; L256-Y350 HydrophobicContact CD2-CE1 3.36Å; L256-Y350 HydrophobicContact CD2-CE2 3.72Å; L256-Y350 HydrophobicContact CD2-CG 4.46Å; L256-Y350 WeakPolarHBondContact CD2-OH 3.37Å; Y350-E355 CarbonylContact C-O 3.56Å; Y350-E355 VanDerWaalsContact CA-O 3.26Å; Y350-E355 WeakPolarHBondContact CA-O 3.34Å; Y350-F385 HydrophobicContact CD1-CB 4.18Å; Y350-F385 HydrophobicContact CE1-CB 3.95Å; Y350-Q386 WeakPolarHBondContact CD1-O 3.37Å; Y350-Q386 WeakPolarHBondContact CE1-O 3.35Å; Y350-Q386 PolarHBondContact N-O 3.08Å; Y350-A387 HydrophobicContact CE1-CB 4.43Å; Y350-A387 HydrophobicContact CE2-CB 4.42Å; Y350-A387 CarbonylContact O-C 3.59Å; Y350-A387 WeakPolarHBondContact O-CA 3.41Å; Y350-D388 WeakPolarHBondContact O-CB 3.4Å; Y350-D388 PolarHBondContact O-N 3.24Å
351K87.7Confident90Very high93 Ų9336.4 Ų36.440%0.40420%0.2SC..  trans-82.5164.3173.8-80.5161.4-176.3175.80111.8S353 G354 E355 V357 D388K351-S353 WeakPolarHBondContact CB-OG 3.44Å; K351-S353 PolarHBondContact O-N 2.93Å; K351-G354 PolarHBondContact O-N 2.82Å; K351-E355 PolarHBondContact N-O 3.42Å; K351-V357 HydrophobicContact CB-CG2 4.39Å; K351-V357 HydrophobicContact CD-CG2 3.71Å; K351-V357 HydrophobicContact CG-CG2 3.52Å; K351-D388 HydrophobicContact CG-CB 4.48Å
352S80.4Confident90Very high138 Ų13838 Ų3897%0.96521%0.212SC*.THydrogen-bonded Turntrans-56.8-20.3170.453.70000114.2G354S352-G354 VanDerWaalsContact C-N 3.27Å; S352-G354 PolarHBondContact O-N 3.34Å
353S82.9Confident90Very high53 Ų5336.6 Ų36.637%0.37121%0.205SC..THydrogen-bonded Turntrans-75.7-7.7172.657.10000114.6G217 K351 E355G217-S353 WeakPolarHBondContact CA-O 3Å; K351-S353 WeakPolarHBondContact CB-OG 3.44Å; K351-S353 PolarHBondContact O-N 2.93Å; S353-E355 VanDerWaalsContact C-N 3.33Å
354G84.6Confident89.9Confident6 Ų634.6 Ų34.66%0.06220%0.197CC..SBendtrans84.42.1-17300000114.2G217 Y218 K351 S352G217-G354 VanDerWaalsContact CA-C 3.46Å; G217-G354 WeakPolarHBondContact CA-O 3.26Å; Y218-G354 PolarHBondContact N-O 3.23Å; Y218-G354 WeakPolarHBondContact O-CA 3.41Å; K351-G354 PolarHBondContact O-N 2.82Å; S352-G354 VanDerWaalsContact C-N 3.27Å; S352-G354 PolarHBondContact O-N 3.34Å
355E91.3Very high89.7Confident60 Ų6034.6 Ų34.628%0.2820%0.197SC..  trans-80.2134.5177.5-67.6178.915700111.4S216 A291 Y350 K351 S353S216-E355 WeakPolarHBondContact CB-OE1 3.49Å; S216-E355 PolarHBondContact OG-OE1 3.32Å; A291-E355 CarbonylContact O-C 3.56Å; A291-E355 WeakPolarHBondContact O-CA 3.23Å; Y350-E355 CarbonylContact C-O 3.56Å; Y350-E355 VanDerWaalsContact CA-O 3.26Å; Y350-E355 WeakPolarHBondContact CA-O 3.34Å; K351-E355 PolarHBondContact N-O 3.42Å; S353-E355 VanDerWaalsContact C-N 3.33Å
356L92.4Very high89.4Confident7 Ų733.6 Ų33.64%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-73.7138.2173.7-43.1-177.6000109.7Y218 L224 F255 L289 L290 A291 V300 I348 K349Y218-L356 HydrophobicContact CD2-CD1 4.44Å; Y218-L356 HydrophobicContact CD2-CD2 4.12Å; Y218-L356 HydrophobicContact CD2-CG 4.03Å; Y218-L356 HydrophobicContact CE2-CD1 3.97Å; Y218-L356 HydrophobicContact CE2-CD2 4.46Å; Y218-L356 HydrophobicContact CE2-CG 3.94Å; L224-L356 HydrophobicContact CD2-CD1 4.18Å; F255-L356 HydrophobicContact CD2-CD2 3.91Å; F255-L356 HydrophobicContact CE2-CD2 3.61Å; L289-L356 HydrophobicContact CB-CD1 4.26Å; L289-L356 HydrophobicContact CD1-CD1 4.4Å; L290-L356 WeakPolarHBondContact O-CD1 3.48Å; A291-L356 PolarHBondContact O-N 3.48Å; V300-L356 HydrophobicContact CG2-CB 4.32Å; I348-L356 HydrophobicContact CG2-CB 4.47Å; I348-L356 HydrophobicContact CG2-CD1 4.12Å; I348-L356 HydrophobicContact CG2-CD2 3.82Å; I348-L356 HydrophobicContact CG2-CG 4.36Å; K349-L356 WeakPolarHBondContact O-CA 3.46Å
357V90.9Very high89Confident52 Ų5236 Ų3632%0.31520%0.202SC..EExtended strand (participates in β ladder)trans-111.8-44.3-176.1-173.70000111.6K349 K351 D388K349-V357 PolarHBondContact O-N 2.82Å; K351-V357 HydrophobicContact CB-CG2 4.39Å; K351-V357 HydrophobicContact CD-CG2 3.71Å; K351-V357 HydrophobicContact CG-CG2 3.52Å; V357-D388 HydrophobicContact CB-CB 4.5Å; V357-D388 HydrophobicContact CG2-CB 4.01Å
358N90.5Very high88.3Confident59 Ų5935.1 Ų35.132%0.31620%0.197SC..EExtended strand (participates in β ladder)trans-149146.1-177.1-175.9-62.1000107.9K349K349-N358 HydrophobicContact CB-CB 4.3Å; K349-N358 HydrophobicContact CD-CB 4.48Å; K349-N358 PolarHBondContact N-O 3.48Å
359A92.9Very high87.5Confident1 Ų136.6 Ų36.61%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-134.2138.2169.500000108.7L289 V300 V302 D303 V347 I348L289-A359 HydrophobicContact CD1-CB 3.66Å; V300-A359 HydrophobicContact CG1-CB 4.36Å; V302-A359 CarbonylContact C-O 3.55Å; V302-A359 WeakPolarHBondContact CA-O 3.46Å; V302-A359 HydrophobicContact CG2-CB 3.91Å; D303-A359 PolarHBondContact N-O 2.82Å; V347-A359 WeakPolarHBondContact O-CA 3.22Å; I348-A359 HydrophobicContact CG1-CB 4.21Å
360S91.3Very high86.2Confident25 Ų2535.1 Ų35.118%0.17520%0.202CC..EExtended strand (participates in β ladder)trans-132.5150.6177.167.10000111.7D303 Y346 V347D303-S360 CarbonylContact O-C 3.58Å; D303-S360 WeakPolarHBondContact O-CA 3.49Å; Y346-S360 CarbonylContact C-O 3.58Å; Y346-S360 WeakPolarHBondContact CA-O 3.27Å; V347-S360 PolarHBondContact N-O 2.86Å; V347-S360 PolarHBondContact O-N 3.28Å
361V91.9Very high84.8Confident0 Ų036.4 Ų36.40%022%0.219CC..EExtended strand (participates in β ladder)trans-123.1132.8176.3690000111.6V302 D303 V304 A305 A344 V345 Y346 L363V302-V361 HydrophobicContact CG1-CB 3.75Å; V302-V361 HydrophobicContact CG1-CG1 3.74Å; D303-V361 PolarHBondContact O-N 3.38Å; V304-V361 HydrophobicContact CG2-CG1 4.24Å; A305-V361 PolarHBondContact N-O 3.25Å; A344-V361 HydrophobicContact CB-CG2 4.33Å; V345-V361 CarbonylContact O-C 3.58Å; V345-V361 WeakPolarHBondContact O-CA 3.25Å; Y346-V361 HydrophobicContact CD1-CB 3.94Å; Y346-V361 HydrophobicContact CD1-CG2 3.98Å; Y346-V361 HydrophobicContact CD2-CG2 4.26Å; Y346-V361 HydrophobicContact CE1-CB 3.89Å; Y346-V361 HydrophobicContact CE1-CG2 3.78Å; Y346-V361 HydrophobicContact CE2-CG2 4.06Å; Y346-V361 HydrophobicContact CG-CG2 4.23Å; V361-L363 HydrophobicContact CG1-CD1 4.26Å; V361-L363 HydrophobicContact CG2-CD2 4.26Å; V361-L363 HydrophobicContact CG2-CG 4.12Å
362S90.4Very high83.3Confident35 Ų3542.1 Ų42.125%0.24524%0.238CC..EExtended strand (participates in β ladder)trans-107.9128.5169.6-70.20000109.6S306 V345S306-S362 WeakPolarHBondContact O-CA 3.38Å; S306-S362 VanDerWaalsContact OG-CB 3.29Å; S306-S362 WeakPolarHBondContact OG-CB 3.44Å; S306-S362 PolarHBondContact OG-OG 2.83Å; V345-S362 PolarHBondContact N-O 3.07Å; V345-S362 PolarHBondContact O-N 3.32Å
363L88.6Confident82.1Confident1 Ų138.3 Ų38.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-118.6140.5-172.1-69.1153.8000111.2M281 S306 V307 I308 V341 K343 A344 V361M281-L363 HydrophobicContact CE-CD1 3.72Å; M281-L363 HydrophobicContact CG-CD1 3.74Å; M281-L363 HydrophobicContact SD-CD1 4.14Å; S306-L363 PolarHBondContact O-N 2.54Å; V307-L363 WeakPolarHBondContact CA-O 3.38Å; I308-L363 PolarHBondContact N-O 3.05Å; V341-L363 HydrophobicContact CG1-CD2 3.92Å; V341-L363 HydrophobicContact CG2-CD2 4.32Å; K343-L363 CarbonylContact O-C 3.52Å; K343-L363 WeakPolarHBondContact O-CA 3.28Å; A344-L363 HydrophobicContact CB-CD2 3.64Å; V361-L363 HydrophobicContact CG1-CD1 4.26Å; V361-L363 HydrophobicContact CG2-CD2 4.26Å; V361-L363 HydrophobicContact CG2-CG 4.12Å
364V88.9Confident80.9Confident16 Ų1643.8 Ų43.810%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-112.3117.4168.2-173.80000108I308 Q310 L342 K343I308-V364 HydrophobicContact CB-CG2 4.36Å; I308-V364 CarbonylContact O-C 3.53Å; I308-V364 WeakPolarHBondContact O-CA 3.42Å; Q310-V364 HydrophobicContact CB-CG1 3.77Å; L342-V364 PolarHBondContact N-O 3.36Å; K343-V364 HydrophobicContact CB-CB 4Å; K343-V364 HydrophobicContact CB-CG2 4.02Å; K343-V364 PolarHBondContact N-O 2.93Å; K343-V364 PolarHBondContact O-N 3.17Å
365L88.9Confident80Confident0 Ų048.6 Ų48.60%025%0.252CS..EExtended strand (participates in β ladder)trans-98.9142.9175.7-51.3-179.2000109.9M281 V307 I308 L309 Q310 F327 N339 M340 V341M281-L365 HydrophobicContact CB-CD2 4.49Å; M281-L365 HydrophobicContact SD-CD1 4.37Å; V307-L365 HydrophobicContact CG1-CD1 3.63Å; V307-L365 HydrophobicContact CG1-CG 3.85Å; I308-L365 PolarHBondContact O-N 3.49Å; L309-L365 CarbonylContact C-O 3.54Å; L309-L365 WeakPolarHBondContact CA-O 3.08Å; L309-L365 HydrophobicContact CD2-CB 3.96Å; L309-L365 HydrophobicContact CD2-CD1 4.25Å; Q310-L365 PolarHBondContact N-O 3.36Å; F327-L365 HydrophobicContact CB-CD1 3.88Å; F327-L365 HydrophobicContact CG-CD1 4.29Å; N339-L365 HydrophobicContact CB-CD1 4.49Å; M340-L365 CarbonylContact O-C 3.57Å; M340-L365 WeakPolarHBondContact O-CA 3.45Å; V341-L365 HydrophobicContact CB-CD2 4.4Å; V341-L365 HydrophobicContact CG2-CD2 3.68Å
366G86.9Confident79.4Confident4 Ų448.5 Ų48.54%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-140-179.6-177.400000114.8Q310 N339 M340Q310-G366 WeakPolarHBondContact O-CA 3.33Å; N339-G366 PolarHBondContact N-O 3.15Å; M340-G366 PolarHBondContact N-O 3.33Å; M340-G366 VanDerWaalsContact N-O 3.16Å; M340-G366 PolarHBondContact O-N 2.76Å
367F82.9Confident79Confident50 Ų5048.8 Ų48.822%0.21926%0.26CS..EExtended strand (participates in β ladder)trans-117.8132.7179.7-178-84.1000111I312 T332 C337 A338 N369I312-F367 HydrophobicContact CD1-CD1 3.44Å; I312-F367 VanDerWaalsContact CD1-CD1 3.44Å; I312-F367 HydrophobicContact CD1-CE1 3.64Å; I312-F367 HydrophobicContact CD1-CG 4.42Å; I312-F367 HydrophobicContact CG1-CB 4.29Å; I312-F367 HydrophobicContact CG1-CD1 3.53Å; I312-F367 HydrophobicContact CG1-CE1 4.26Å; I312-F367 HydrophobicContact CG1-CG 4.24Å; T332-F367 HydrophobicContact CG2-CE2 3.87Å; T332-F367 VanDerWaalsContact OG1-CE2 3.24Å; T332-F367 WeakPolarHBondContact OG1-CE2 3.42Å; C337-F367 WeakPolarHBondContact O-CA 3.4Å; C337-F367 WeakPolarHBondContact O-CD2 3.35Å; A338-F367 HydrophobicContact CB-CD2 3.88Å; A338-F367 HydrophobicContact CB-CE2 4.47Å; F367-N369 HydrophobicContact CE1-CB 4.07Å
368V77.7Confident78.8Confident14 Ų1451.9 Ų51.99%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-123.7128.5175.1178.60000109.2L267 G336 C337 M340 T373 L377L267-V368 HydrophobicContact CD1-CG1 4.02Å; G336-V368 CarbonylContact C-O 3.5Å; G336-V368 WeakPolarHBondContact CA-O 2.91Å; C337-V368 PolarHBondContact N-O 2.97Å; C337-V368 PolarHBondContact O-N 3.41Å; M340-V368 HydrophobicContact CE-CB 3.46Å; M340-V368 VanDerWaalsContact CE-CB 3.46Å; M340-V368 HydrophobicContact CE-CG2 3.37Å; M340-V368 VanDerWaalsContact CE-N 3.26Å; M340-V368 HydrophobicContact SD-CB 4.44Å; M340-V368 HydrophobicContact SD-CG2 4.39Å; V368-T373 HydrophobicContact CG1-CG2 4.31Å; V368-T373 VanDerWaalsContact CG1-OG1 3.3Å; V368-T373 WeakPolarHBondContact CG1-OG1 3.4Å; V368-L377 HydrophobicContact CG2-CD1 3.42Å; V368-L377 VanDerWaalsContact CG2-CD1 3.42Å; V368-L377 HydrophobicContact CG2-CD2 4.45Å; V368-L377 HydrophobicContact CG2-CG 4.43Å
369N74.9Confident78.8Confident32 Ų3249.2 Ų49.217%0.17126%0.256CS..EExtended strand (participates in β ladder)trans-90.4112.4174.3-167.7-24.8000110.2F367 S371 R372 T373F367-N369 HydrophobicContact CE1-CB 4.07Å; N369-S371 PolarHBondContact O-N 2.85Å; N369-S371 PolarHBondContact OD1-N 2.84Å; N369-S371 VanDerWaalsContact OD1-N 3.1Å; N369-S371 PolarHBondContact OD1-OG 2.88Å; N369-R372 PolarHBondContact O-N 2.82Å; N369-T373 PolarHBondContact O-N 2.75Å; N369-T373 PolarHBondContact O-OG1 2.71Å
370T64.4Low78.8Confident41 Ų4150.8 Ų50.825%0.25226%0.264SS..THydrogen-bonded Turntrans-70.4-13.6-175.5710000113.6L269 S335L269-T370 HydrophobicContact CD1-CG2 3.38Å; S335-T370 WeakPolarHBondContact O-CB 3.49Å; S335-T370 WeakPolarHBondContact O-CG2 3.28Å; S335-T370 PolarHBondContact O-N 2.89Å; S335-T370 VanDerWaalsContact O-N 3.13Å; S335-T370 PolarHBondContact O-OG1 2.82Å
371S60.9Low78.9Confident78 Ų7849.6 Ų49.655%0.54526%0.255SS..THydrogen-bonded Turntrans-85.9-18.8179.865.20000114.7N369N369-S371 PolarHBondContact O-N 2.85Å; N369-S371 PolarHBondContact OD1-N 2.84Å; N369-S371 VanDerWaalsContact OD1-N 3.1Å; N369-S371 PolarHBondContact OD1-OG 2.88Å
372R56.7Low78.9Confident212 Ų21251.9 Ų51.980%0.827%0.266SS*.THydrogen-bonded Turntrans-121.8-18.6-174.3-62.4-168.6-157.5-1714.6114.6N369N369-R372 PolarHBondContact O-N 2.82Å
373T55Low79Confident58 Ų5850.2 Ų50.236%0.35625%0.254SS..SBendtrans-95.3132-18051.80000108.4V368 N369 N375V368-T373 HydrophobicContact CG1-CG2 4.31Å; V368-T373 VanDerWaalsContact CG1-OG1 3.3Å; V368-T373 WeakPolarHBondContact CG1-OG1 3.4Å; N369-T373 PolarHBondContact O-N 2.75Å; N369-T373 PolarHBondContact O-OG1 2.71Å; T373-N375 PolarHBondContact O-N 2.91Å
374H57.4Low79Confident168 Ų16852.4 Ų52.478%0.77827%0.265SS*.  trans-50138160.9-67.7-93.3000107S376H374-S376 PolarHBondContact O-N 2.88Å
375N66.3Low79Confident108 Ų10852.2 Ų52.258%0.57826%0.264SS*.SBendtrans-60.847.1-170-63-23.3000115.1R266 L267 T373R266-N375 CarbonylContact C-O 3.59Å; R266-N375 WeakPolarHBondContact CA-O 3.13Å; L267-N375 PolarHBondContact N-O 2.79Å; T373-N375 PolarHBondContact O-N 2.91Å
376S76.9Confident78.7Confident58 Ų5854.2 Ų54.241%0.40627%0.273SS..EExtended strand (participates in β ladder)trans-141.9122.1-175.259.10000109.4Q265 H374Q265-S376 CarbonylContact O-C 3.57Å; Q265-S376 VanDerWaalsContact O-CA 3.26Å; Q265-S376 WeakPolarHBondContact O-CA 3.04Å; H374-S376 PolarHBondContact O-N 2.88Å
377L84Confident78.4Confident12 Ų1256 Ų566%0.06329%0.287CS..EExtended strand (participates in β ladder)trans-103.6122.5175.8176.759.3000109.6S264 Q265 L267 L279 M340 L342 V368 Q379S264-L377 CarbonylContact C-O 3.6Å; S264-L377 WeakPolarHBondContact CA-O 3.29Å; Q265-L377 PolarHBondContact N-O 2.99Å; Q265-L377 PolarHBondContact O-N 3.24Å; L267-L377 HydrophobicContact CD1-CB 4.04Å; L267-L377 HydrophobicContact CD2-CB 4.29Å; L267-L377 HydrophobicContact CG-CB 4.16Å; L279-L377 HydrophobicContact CD2-CD2 3.6Å; M340-L377 HydrophobicContact CB-CD2 4.48Å; M340-L377 HydrophobicContact SD-CD2 4.43Å; L342-L377 HydrophobicContact CD2-CD1 3.5Å; L342-L377 VanDerWaalsContact CD2-CD1 3.5Å; L342-L377 HydrophobicContact CD2-CD2 4.19Å; L342-L377 HydrophobicContact CD2-CG 4.22Å; V368-L377 HydrophobicContact CG2-CD1 3.42Å; V368-L377 VanDerWaalsContact CG2-CD1 3.42Å; V368-L377 HydrophobicContact CG2-CD2 4.45Å; V368-L377 HydrophobicContact CG2-CG 4.43Å; L377-Q379 HydrophobicContact CD2-CG 4.24Å; L377-Q379 HydrophobicContact CG-CG 4.16Å
378Q87.7Confident77.9Confident118 Ų11857.2 Ų57.255%0.55130%0.296SS*.EExtended strand (participates in β ladder)trans-78.5127.9171.8-167.9173.832.900110.2C263C263-Q378 CarbonylContact O-C 3.45Å; C263-Q378 WeakPolarHBondContact O-CA 3.4Å
379Q90.6Very high77Confident2 Ų260.5 Ų60.51%0.00933%0.332CS..EExtended strand (participates in β ladder)trans-119.3150.8175.4-62.6179.9-75.700110.3R262 C263 A278 V341 L342 L377 F381R262-Q379 WeakPolarHBondContact CA-O 3.34Å; C263-Q379 PolarHBondContact N-O 2.86Å; C263-Q379 VanDerWaalsContact N-O 3.11Å; C263-Q379 PolarHBondContact O-N 2.83Å; A278-Q379 PolarHBondContact O-NE2 2.74Å; V341-Q379 PolarHBondContact O-NE2 2.83Å; L342-Q379 CarbonylContact O-C 3.51Å; L342-Q379 VanDerWaalsContact O-CA 3.26Å; L342-Q379 WeakPolarHBondContact O-CA 3.12Å; L377-Q379 HydrophobicContact CD2-CG 4.24Å; L377-Q379 HydrophobicContact CG-CG 4.16Å; Q379-F381 HydrophobicContact CB-CE2 3.54Å; Q379-F381 HydrophobicContact CB-CZ 3.75Å; Q379-F381 HydrophobicContact CG-CZ 4.47Å
380E92.3Very high75.6Confident34 Ų3460.7 Ų60.716%0.15934%0.342CS..EExtended strand (participates in β ladder)trans-125.3126.3179-173.9176.813200111T260 S261 R262 L342 K343 A344T260-E380 HydrophobicContact CG2-CG 4.34Å; S261-E380 CarbonylContact O-C 3.48Å; S261-E380 WeakPolarHBondContact O-CA 3.13Å; R262-E380 HydrophobicContact CG-CB 4.21Å; R262-E380 HydrophobicContact CG-CG 3.94Å; R262-E380 IonicContact CZ-OE2 3.83Å; R262-E380 VanDerWaalsContact CZ-OE2 3.22Å; R262-E380 IonicContact NE-OE2 2.84Å; R262-E380 PolarHBondContact NE-OE2 2.69Å; R262-E380 IonicContact NH2-OE2 2.83Å; R262-E380 PolarHBondContact NH2-OE2 2.78Å; L342-E380 PolarHBondContact O-N 3Å; K343-E380 CarbonylContact C-O 3.54Å; K343-E380 WeakPolarHBondContact CA-O 3.34Å; K343-E380 HydrophobicContact CB-CB 4.36Å; K343-E380 HydrophobicContact CD-CB 4.39Å; K343-E380 HydrophobicContact CD-CG 4.39Å; K343-E380 WeakPolarHBondContact CE-OE1 3.17Å; K343-E380 HydrophobicContact CG-CB 4.19Å; K343-E380 HydrophobicContact CG-CG 4.5Å; K343-E380 IonicContact NZ-OE1 2.74Å; K343-E380 PolarHBondContact NZ-OE1 2.85Å; A344-E380 PolarHBondContact N-O 2.94Å
381F93.4Very high74.7Confident1 Ų166.6 Ų66.60%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-122133.3179.7-56.2-84.5000110P239 T260 S261 Y284 A344 Q379P239-F381 HydrophobicContact CB-CD2 3.92Å; P239-F381 HydrophobicContact CB-CE2 3.53Å; P239-F381 HydrophobicContact CB-CZ 3.98Å; P239-F381 HydrophobicContact CG-CD1 4.43Å; P239-F381 HydrophobicContact CG-CD2 4.19Å; P239-F381 HydrophobicContact CG-CE1 4.01Å; P239-F381 HydrophobicContact CG-CE2 3.72Å; P239-F381 HydrophobicContact CG-CZ 3.62Å; P239-F381 VanDerWaalsContact O-CD2 3.22Å; P239-F381 WeakPolarHBondContact O-CD2 3.45Å; T260-F381 CarbonylContact C-O 3.59Å; T260-F381 WeakPolarHBondContact CA-O 3.4Å; S261-F381 PolarHBondContact N-O 2.96Å; S261-F381 PolarHBondContact O-N 3.14Å; S261-F381 PolarHBondContact OG-O 3.02Å; Y284-F381 HydrophobicContact CD1-CD1 4.43Å; Y284-F381 AromaticContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CE1-CD1 4.04Å; Y284-F381 AromaticContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CZ 4.02Å; Y284-F381 HydrophobicContact CE2-CE1 4.3Å; Y284-F381 AromaticContact CZ-CE1 3.48Å; Y284-F381 VanDerWaalsContact CZ-CE1 3.48Å; Y284-F381 AromaticContact CZ-CZ 3.87Å; Y284-F381 WeakPolarHBondContact OH-CZ 3.45Å; A344-F381 HydrophobicContact CB-CD1 3.93Å; A344-F381 HydrophobicContact CB-CE1 4.24Å; A344-F381 WeakPolarHBondContact O-CA 3.48Å; Q379-F381 HydrophobicContact CB-CE2 3.54Å; Q379-F381 HydrophobicContact CB-CZ 3.75Å; Q379-F381 HydrophobicContact CG-CZ 4.47Å
382Q92.2Very high74.1Confident47 Ų4765.5 Ų65.522%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-134.3139.9-178.2-172.8173.311.500111Q259 A344 V345 Y346 I384Q259-Q382 CarbonylContact O-C 3.53Å; Q259-Q382 VanDerWaalsContact O-CA 3.25Å; Q259-Q382 WeakPolarHBondContact O-CA 3.3Å; A344-Q382 PolarHBondContact O-N 3.39Å; V345-Q382 CarbonylContact C-O 3.52Å; V345-Q382 WeakPolarHBondContact CA-O 3.46Å; V345-Q382 HydrophobicContact CG1-CB 4.22Å; V345-Q382 HydrophobicContact CG1-CG 4.37Å; V345-Q382 HydrophobicContact CG2-CB 4.26Å; Y346-Q382 PolarHBondContact N-O 3.04Å; Q382-I384 HydrophobicContact CG-CD1 4.28Å; Q382-I384 HydrophobicContact CG-CG1 3.99Å
383V93.1Very high73.8Confident0 Ų057.6 Ų57.60%034%0.338CS..EExtended strand (participates in β ladder)trans-126.7132.6170.2-171.80000108.6L238 D258 Q259 Y346 I348 F385L238-V383 HydrophobicContact CD1-CG2 3.04Å; L238-V383 HydrophobicContact CG-CG2 4.5Å; D258-V383 WeakPolarHBondContact CA-O 3.22Å; Q259-V383 HydrophobicContact CG-CB 3.77Å; Q259-V383 HydrophobicContact CG-CG2 3.84Å; Q259-V383 PolarHBondContact N-O 2.64Å; Q259-V383 VanDerWaalsContact N-O 3.07Å; Q259-V383 PolarHBondContact O-N 3.27Å; Y346-V383 HydrophobicContact CD2-CG2 4.45Å; Y346-V383 CarbonylContact O-C 3.56Å; Y346-V383 WeakPolarHBondContact O-CA 3.38Å; I348-V383 HydrophobicContact CD1-CG1 3.76Å; I348-V383 HydrophobicContact CG1-CG1 4.33Å; V383-F385 HydrophobicContact CG1-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CZ 4.05Å
384I89Confident73.7Confident47 Ų4756.8 Ų56.824%0.24133%0.332CS..EExtended strand (participates in β ladder)trans-129.5132.3-178.5-52.7172.5000108.3D258 V345 Y346 V347 I348 Q382D258-I384 WeakPolarHBondContact OD1-CA 3.43Å; V345-I384 HydrophobicContact CG1-CD1 4.12Å; Y346-I384 PolarHBondContact O-N 3.22Å; V347-I384 CarbonylContact C-O 3.59Å; V347-I384 WeakPolarHBondContact CA-O 3.38Å; I348-I384 PolarHBondContact N-O 3.22Å; Q382-I384 HydrophobicContact CG-CD1 4.28Å; Q382-I384 HydrophobicContact CG-CG1 3.99Å
385F88.2Confident73.9Confident13 Ų1352.1 Ų52.16%0.05731%0.311CS..EExtended strand (participates in β ladder)trans-101132.1175.5-66-87.9000111.4L224 V254 F255 L256 D258 I348 Y350 V383L224-F385 HydrophobicContact CD1-CE1 3.93Å; L224-F385 HydrophobicContact CD1-CZ 3.82Å; L224-F385 HydrophobicContact CD2-CE1 4.5Å; L224-F385 HydrophobicContact CG-CZ 4.46Å; V254-F385 WeakPolarHBondContact O-CE2 3.12Å; V254-F385 VanDerWaalsContact O-CZ 3.24Å; V254-F385 WeakPolarHBondContact O-CZ 3.24Å; F255-F385 HydrophobicContact CD2-CD1 4.03Å; F255-F385 AromaticContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CE2-CD1 4.27Å; F255-F385 HydrophobicContact CE2-CE1 4.41Å; L256-F385 HydrophobicContact CD2-CB 4.05Å; D258-F385 PolarHBondContact OD1-N 3.23Å; I348-F385 HydrophobicContact CB-CD1 3.99Å; I348-F385 HydrophobicContact CB-CE1 4.08Å; I348-F385 HydrophobicContact CD1-CE1 4Å; I348-F385 HydrophobicContact CD1-CZ 4.29Å; I348-F385 HydrophobicContact CG2-CD1 4.21Å; I348-F385 HydrophobicContact CG2-CE1 4.15Å; I348-F385 WeakPolarHBondContact O-CA 3.16Å; Y350-F385 HydrophobicContact CD1-CB 4.18Å; Y350-F385 HydrophobicContact CE1-CB 3.95Å; V383-F385 HydrophobicContact CG1-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CZ 4.05Å
386Q83.1Confident74.2Confident42 Ų4252 Ų5220%0.19630%0.303CS..EExtended strand (participates in β ladder)trans-128.1135.2178.4-177.3173.912.500111.1I348 K349 Y350 A393I348-Q386 PolarHBondContact O-N 2.87Å; K349-Q386 CarbonylContact C-O 3.09Å; K349-Q386 WeakPolarHBondContact CA-O 3.41Å; K349-Q386 HydrophobicContact CG-CB 4.34Å; Y350-Q386 WeakPolarHBondContact CD1-O 3.37Å; Y350-Q386 WeakPolarHBondContact CE1-O 3.35Å; Y350-Q386 PolarHBondContact N-O 3.08Å; Q386-A393 HydrophobicContact CG-CB 4.31Å
387A80.5Confident74.4Confident41 Ų4149.3 Ų49.334%0.33928%0.284SS..EExtended strand (participates in β ladder)trans-69.2134.7174.500000110.9Y350 G389 G390Y350-A387 HydrophobicContact CE1-CB 4.43Å; Y350-A387 HydrophobicContact CE2-CB 4.42Å; Y350-A387 CarbonylContact O-C 3.59Å; Y350-A387 WeakPolarHBondContact O-CA 3.41Å; A387-G389 PolarHBondContact O-N 3.02Å; A387-G390 PolarHBondContact O-N 2.84Å
388D72.7Confident74.4Confident76 Ų7649.4 Ų49.441%0.40629%0.288SS..THydrogen-bonded Turntrans-69.1125.6176-171.636.8000110Y350 K351 V357 G390Y350-D388 WeakPolarHBondContact O-CB 3.4Å; Y350-D388 PolarHBondContact O-N 3.24Å; K351-D388 HydrophobicContact CG-CB 4.48Å; V357-D388 HydrophobicContact CB-CB 4.5Å; V357-D388 HydrophobicContact CG2-CB 4.01Å; D388-G390 PolarHBondContact O-N 2.63Å
389G57.1Low74Confident82 Ų8250.1 Ų50.185%0.84530%0.295SS*.THydrogen-bonded Turntrans73.35.3-171.900000115.4A387A387-G389 PolarHBondContact O-N 3.02Å
390G46.5Very low73.3Confident36 Ų3652.3 Ų52.337%0.37131%0.31SS..  trans-75.4136.216900000111.1A387 D388A387-G390 PolarHBondContact O-N 2.84Å; D388-G390 PolarHBondContact O-N 2.63Å
391E44.4Very low73.1Confident166 Ų16650.9 Ų50.978%0.77630%0.304SS*.SBendtrans-38.3139.2154.5-80.3-80.9144.600108.9A393E391-A393 PolarHBondContact O-N 2.7Å
392P49.5Very low73Confident55 Ų5551.3 Ų51.336%0.35731%0.306SS..SBendtrans-44.8122.4-172.816.5-29.9000110.2V394 I422P392-V394 PolarHBondContact O-N 3.27Å; P392-I422 HydrophobicContact CB-CD1 3.39Å; P392-I422 HydrophobicContact CB-CG1 3.93Å; P392-I422 HydrophobicContact CG-CD1 3.45Å; P392-I422 VanDerWaalsContact CG-CD1 3.45Å; P392-I422 HydrophobicContact CG-CG1 4.13Å
393A49.6Very low72.7Confident46 Ų4652.8 Ų52.838%0.3832%0.318SS..  trans-37.7106.9-16300000110.7Q386 E391 H395Q386-A393 HydrophobicContact CG-CB 4.31Å; E391-A393 PolarHBondContact O-N 2.7Å; A393-H395 PolarHBondContact O-N 3.27Å
394V53Low72.4Confident40 Ų4057.6 Ų57.624%0.24235%0.347CS..  trans-65.987.61761700000105.3P392 Y396P392-V394 PolarHBondContact O-N 3.27Å; V394-Y396 HydrophobicContact CB-CE1 4.43Å; V394-Y396 HydrophobicContact CG1-CD1 4.04Å; V394-Y396 HydrophobicContact CG1-CE1 3.44Å; V394-Y396 VanDerWaalsContact CG1-CE1 3.44Å; V394-Y396 HydrophobicContact CG1-CE2 4.37Å; V394-Y396 VanDerWaalsContact O-CD2 3.28Å; V394-Y396 WeakPolarHBondContact O-CD2 3.46Å; V394-Y396 WeakPolarHBondContact O-CE2 3.36Å; V394-Y396 PolarHBondContact O-N 2.75Å
395H62.1Low72Confident70 Ų7056.4 Ų56.432%0.32435%0.347SS..  trans-53.7117.9176.7-163.675.6000108A393 M406 M409 R420A393-H395 PolarHBondContact O-N 3.27Å; H395-M406 WeakPolarHBondContact NE2-CE 3.3Å; H395-M409 VanDerWaalsContact O-SD 3.4Å; H395-R420 PolarHBondContact O-NH1 2.93Å; H395-R420 VanDerWaalsContact O-NH1 3.14Å; H395-R420 PolarHBondContact O-NH2 2.9Å
396Y71.8Confident71.8Confident106 Ų10658.6 Ų58.642%0.41636%0.358SS..  trans-99.5135.7176.1-63.6-61.3000107.9V394 G398 M409 G493 N494V394-Y396 HydrophobicContact CB-CE1 4.43Å; V394-Y396 HydrophobicContact CG1-CD1 4.04Å; V394-Y396 HydrophobicContact CG1-CE1 3.44Å; V394-Y396 VanDerWaalsContact CG1-CE1 3.44Å; V394-Y396 HydrophobicContact CG1-CE2 4.37Å; V394-Y396 VanDerWaalsContact O-CD2 3.28Å; V394-Y396 WeakPolarHBondContact O-CD2 3.46Å; V394-Y396 WeakPolarHBondContact O-CE2 3.36Å; V394-Y396 PolarHBondContact O-N 2.75Å; Y396-G398 PolarHBondContact O-N 3.06Å; Y396-M409 HydrophobicContact CD1-SD 4.38Å; Y396-G493 CarbonylContact C-O 3.49Å; Y396-G493 WeakPolarHBondContact CA-O 3.4Å; Y396-G493 WeakPolarHBondContact CB-O 3.39Å; Y396-N494 HydrophobicContact CD1-CB 4.12Å; Y396-N494 HydrophobicContact CE1-CB 4.49Å
397S82.9Confident72Confident2 Ų257.2 Ų57.21%0.01435%0.353CS..SBendtrans-92.915.5-179.9-54.70000112.5V403 P407 M409 G493S397-V403 PolarHBondContact O-N 3.43Å; S397-P407 WeakPolarHBondContact CB-O 3.3Å; S397-P407 PolarHBondContact OG-O 3.07Å; S397-M409 WeakPolarHBondContact OG-CG 3.37Å; S397-G493 PolarHBondContact N-O 3.01Å
398G82.1Confident72.5Confident13 Ų1355.3 Ų55.313%0.13434%0.337CS..SBendtrans152.6174.3176.700000111.6Y396 G401 G493 N494Y396-G398 PolarHBondContact O-N 3.06Å; G398-G401 CarbonylContact C-O 3.3Å; G398-G401 VanDerWaalsContact CA-O 3.23Å; G398-G401 WeakPolarHBondContact CA-O 3.26Å; G398-G493 PolarHBondContact N-O 2.85Å; G398-G493 CarbonylContact O-C 3.56Å; G398-G493 VanDerWaalsContact O-O 3.14Å; G398-N494 WeakPolarHBondContact O-CB 3.4Å; G398-N494 PolarHBondContact O-N 3.24Å
399N79.6Confident73.2Confident133 Ų13352.1 Ų52.171%0.71132%0.319SS*.SBendtrans-147.1106.8179.2-173.711.9000111.7N494N399-N494 PolarHBondContact OD1-ND2 3.14Å
400P77Confident74.8Confident48 Ų4848.4 Ų48.431%0.31228%0.28SS..SBendcis-79.6-35.2-12.729.5-34.3000114.4F492 G493 N494 Q540P400-F492 WeakPolarHBondContact O-CB 3.18Å; P400-G493 WeakPolarHBondContact O-CA 3.49Å; P400-G493 PolarHBondContact O-N 3.1Å; P400-N494 VanDerWaalsContact CA-CG 3.43Å; P400-N494 WeakPolarHBondContact CA-ND2 3.41Å; P400-N494 VanDerWaalsContact CA-OD1 3.29Å; P400-N494 WeakPolarHBondContact CA-OD1 3.17Å; P400-N494 WeakPolarHBondContact CB-OD1 3.25Å; P400-N494 PolarHBondContact O-N 3.38Å; P400-N494 PolarHBondContact O-OD1 3.06Å; P400-Q540 VanDerWaalsContact CD-OE1 3.28Å; P400-Q540 HydrophobicContact CG-CB 4.4Å; P400-Q540 HydrophobicContact CG-CG 3.81Å
401G88.4Confident76.8Confident4 Ų446.9 Ų46.94%0.04126%0.264CS..SBendtrans-69.7159.3-176.900000113.9G398 A541G398-G401 CarbonylContact C-O 3.3Å; G398-G401 VanDerWaalsContact CA-O 3.23Å; G398-G401 WeakPolarHBondContact CA-O 3.26Å; G401-A541 CarbonylContact C-O 3.46Å; G401-A541 WeakPolarHBondContact CA-O 3.04Å
402Y90Very high78.8Confident11 Ų1141.6 Ų41.64%0.04324%0.241CC..PPolyproline II helixtrans-64.3140.6174.2-81.4-86.4000112.6L408 F451 A490 F492 A541 I543Y402-L408 HydrophobicContact CD1-CD2 4.05Å; Y402-L408 HydrophobicContact CE1-CD2 3.71Å; Y402-F451 VanDerWaalsContact CB-CG 3.5Å; Y402-F451 HydrophobicContact CD1-CB 4.14Å; Y402-F451 HydrophobicContact CD1-CD2 4.35Å; Y402-F451 HydrophobicContact CD1-CG 4.24Å; Y402-F451 HydrophobicContact CD2-CD2 4.48Å; Y402-F451 HydrophobicContact CG-CB 4.44Å; Y402-F451 AromaticContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CE2 4.42Å; Y402-F451 HydrophobicContact CG-CG 4.04Å; Y402-A490 WeakPolarHBondContact CE2-O 3.42Å; Y402-A490 PolarHBondContact OH-O 3.13Å; Y402-F492 VanDerWaalsContact CE2-C 3.49Å; Y402-A541 PolarHBondContact N-O 2.59Å; Y402-A541 WeakPolarHBondContact O-CB 3.04Å; Y402-I543 HydrophobicContact CD2-CD1 4.07Å; Y402-I543 HydrophobicContact CD2-CG1 4.05Å; Y402-I543 HydrophobicContact CE1-CD1 4.49Å; Y402-I543 HydrophobicContact CE2-CD1 3.55Å; Y402-I543 HydrophobicContact CE2-CG1 3.84Å
403V85.9Confident80.5Confident77 Ų7747 Ų4747%0.46726%0.255SS..PPolyproline II helixtrans-96.6134.1172177.80000109.4S397 G405 M406S397-V403 PolarHBondContact O-N 3.43Å; V403-G405 PolarHBondContact O-N 2.74Å; V403-M406 HydrophobicContact CB-CG 3.8Å; V403-M406 HydrophobicContact CG1-CG 4.09Å; V403-M406 WeakPolarHBondContact O-CB 3.48Å; V403-M406 PolarHBondContact O-N 3.37Å; V403-M406 VanDerWaalsContact O-N 3.15Å
404V87.2Confident82.1Confident101 Ų10146.2 Ų46.261%0.61225%0.249SC*.THydrogen-bonded Turntrans-59.2130.9179.5178.10000110.4F451V404-F451 CarbonylContact C-O 3.54Å; V404-F451 WeakPolarHBondContact CA-O 3.21Å; V404-F451 HydrophobicContact CG2-CD1 4.26Å; V404-F451 HydrophobicContact CG2-CE1 4.32Å
405G81.4Confident83.2Confident23 Ų2351.5 Ų51.524%0.23728%0.281CS..THydrogen-bonded Turntrans86.6-3.4-178.400000115.8V403 F451V403-G405 PolarHBondContact O-N 2.74Å; G405-F451 PolarHBondContact N-O 2.94Å
406M83.8Confident83.8Confident59 Ų5954.6 Ų54.629%0.29130%0.3SS..SBendtrans-85.2145.9171.6-62.2-61.5-72.700111.2H395 V403 L450 F451H395-M406 WeakPolarHBondContact NE2-CE 3.3Å; V403-M406 HydrophobicContact CB-CG 3.8Å; V403-M406 HydrophobicContact CG1-CG 4.09Å; V403-M406 WeakPolarHBondContact O-CB 3.48Å; V403-M406 PolarHBondContact O-N 3.37Å; V403-M406 VanDerWaalsContact O-N 3.15Å; M406-L450 WeakPolarHBondContact O-CA 3.26Å; M406-F451 PolarHBondContact O-N 3.27Å
407P87.4Confident84.2Confident13 Ų1349.9 Ų49.98%0.08428%0.284CS..BIsolated β-bridgetrans-58.9150.2178.3-25.535.3000113.5S397 L424 P448 V449 L450S397-P407 WeakPolarHBondContact CB-O 3.3Å; S397-P407 PolarHBondContact OG-O 3.07Å; P407-L424 HydrophobicContact CB-CD2 3.96Å; P407-L424 HydrophobicContact CG-CD1 4.29Å; P407-L424 HydrophobicContact CG-CD2 3.8Å; P407-P448 HydrophobicContact CB-CB 4.18Å; P407-V449 CarbonylContact C-O 3.42Å; P407-V449 WeakPolarHBondContact CA-O 2.92Å; P407-L450 HydrophobicContact CB-CD2 4.37Å; P407-L450 HydrophobicContact CG-CD2 3.97Å
408L90.1Very high84.3Confident1 Ų150.1 Ų50.11%0.00529%0.285CS..PPolyproline II helixtrans-73.6129.1170.9-63.5-171.3000111.4Y402 S410 L428 V449 F451 V489 I528 I543 F575Y402-L408 HydrophobicContact CD1-CD2 4.05Å; Y402-L408 HydrophobicContact CE1-CD2 3.71Å; L408-S410 PolarHBondContact O-N 2.76Å; L408-L428 HydrophobicContact CD1-CD2 4.21Å; L408-V449 HydrophobicContact CD1-CB 4.2Å; L408-V449 HydrophobicContact CD1-CG1 3.58Å; L408-V449 HydrophobicContact CG-CB 4.34Å; L408-V449 HydrophobicContact CG-CG1 4Å; L408-V449 PolarHBondContact N-O 2.72Å; L408-F451 HydrophobicContact CD2-CB 3.87Å; L408-F451 HydrophobicContact CD2-CD2 4.08Å; L408-F451 HydrophobicContact CD2-CG 4.47Å; L408-V489 HydrophobicContact CB-CG1 4.25Å; L408-V489 HydrophobicContact CD1-CG1 4.49Å; L408-I528 HydrophobicContact CD1-CD1 3.42Å; L408-I528 VanDerWaalsContact CD1-CD1 3.42Å; L408-I543 HydrophobicContact CD1-CD1 4.23Å; L408-I543 HydrophobicContact CD2-CD1 3.62Å; L408-F575 HydrophobicContact CD1-CE1 4.39Å; L408-F575 HydrophobicContact CD1-CZ 4.27Å
409M88.3Confident84.3Confident9 Ų952.3 Ų52.34%0.04430%0.298CS..PPolyproline II helixtrans-72.8117.5171.8-62.7-167.8-57.300110.2H395 Y396 S397 R420 V489 A490 F492 G493H395-M409 VanDerWaalsContact O-SD 3.4Å; Y396-M409 HydrophobicContact CD1-SD 4.38Å; S397-M409 WeakPolarHBondContact OG-CG 3.37Å; M409-R420 PolarHBondContact SD-NH1 2.72Å; M409-R420 VanDerWaalsContact SD-NH1 3.35Å; M409-V489 CarbonylContact O-C 3.5Å; M409-V489 VanDerWaalsContact O-CA 3.3Å; M409-V489 WeakPolarHBondContact O-CA 3.49Å; M409-V489 WeakPolarHBondContact O-CG1 3.24Å; M409-A490 HydrophobicContact CB-CB 4Å; M409-A490 HydrophobicContact CE-CB 3.6Å; M409-A490 PolarHBondContact O-N 3Å; M409-F492 WeakPolarHBondContact CE-O 3.38Å; M409-G493 WeakPolarHBondContact CE-O 3.35Å; M409-G493 VanDerWaalsContact SD-O 3.36Å
410S89.8Confident84Confident4 Ų448.1 Ų48.13%0.02827%0.272CS..EExtended strand (participates in β ladder)trans-129.8154.9-179.464.80000111.6L408 R420 T427 L428 Y488L408-S410 PolarHBondContact O-N 2.76Å; S410-R420 WeakPolarHBondContact O-CB 3.28Å; S410-T427 VanDerWaalsContact OG-CA 3.32Å; S410-T427 WeakPolarHBondContact OG-CA 3.42Å; S410-L428 PolarHBondContact OG-N 2.8Å; S410-Y488 CarbonylContact C-O 3.51Å; S410-Y488 WeakPolarHBondContact CA-O 3.23Å; S410-Y488 WeakPolarHBondContact CB-O 3.42Å
411G88.9Confident83.6Confident3 Ų348 Ų483%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-169.1-178.9179.300000113.1S419 Q487 Y488G411-S419 CarbonylContact C-O 3.54Å; G411-S419 VanDerWaalsContact CA-O 3.26Å; G411-S419 WeakPolarHBondContact CA-O 3.35Å; G411-Q487 PolarHBondContact O-N 2.86Å; G411-Y488 PolarHBondContact N-O 2.81Å; G411-Y488 PolarHBondContact O-N 2.75Å
412D87.1Confident82.3Confident55 Ų5553.2 Ų53.229%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-119155.4-178.5-66.2-58.8000111A414 I418 S419 Q487D412-A414 PolarHBondContact O-N 3.28Å; D412-I418 CarbonylContact O-C 3.56Å; D412-I418 VanDerWaalsContact O-CA 3.32Å; D412-I418 WeakPolarHBondContact O-CA 3.47Å; D412-S419 PolarHBondContact N-O 2.91Å; D412-S419 PolarHBondContact O-N 3.2Å; D412-S419 PolarHBondContact O-OG 3.3Å; D412-Q487 WeakPolarHBondContact OD1-CG 3.08Å; D412-Q487 PolarHBondContact OD1-N 2.87Å
413R84.6Confident81Confident168 Ų16856.4 Ų56.463%0.63432%0.316SS*.EExtended strand (participates in β ladder)trans-73.3119.8179.7-166.4174.1-171.8178.83.2110.6I418 Y488R413-I418 HydrophobicContact CB-CD1 4.5Å; R413-Y488 HydrophobicContact CB-CE2 3.92Å
414A82.9Confident79.7Confident31 Ų3156.2 Ų56.226%0.25631%0.312SS..  trans-101.5177.1173.600000111.2D412 D416 G417D412-A414 PolarHBondContact O-N 3.28Å; A414-D416 PolarHBondContact O-N 2.89Å; A414-G417 PolarHBondContact N-O 2.89Å
415T75.3Confident78.2Confident151 Ų15158.8 Ų58.893%0.92631%0.311SS*.SBendtrans-64.4-26.5-179.742.20000113.7
416D74.9Confident77.4Confident135 Ų13560.7 Ų60.772%0.72232%0.315SS*.SBendtrans-123.66.5-171.256.3-20.7000113.5A414A414-D416 PolarHBondContact O-N 2.89Å
417G81.8Confident77.1Confident7 Ų758.4 Ų58.47%0.07231%0.305CS..SBendtrans157.1-135.4-179.800000112.9A414A414-G417 PolarHBondContact N-O 2.89Å
418I83.5Confident77.2Confident6 Ų658.4 Ų58.43%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-109.8126172.2-61.1-63.4000109.5D412 R413 Y488 L497 W503D412-I418 CarbonylContact O-C 3.56Å; D412-I418 VanDerWaalsContact O-CA 3.32Å; D412-I418 WeakPolarHBondContact O-CA 3.47Å; R413-I418 HydrophobicContact CB-CD1 4.5Å; I418-Y488 HydrophobicContact CD1-CD2 4.23Å; I418-Y488 HydrophobicContact CD1-CG 4.24Å; I418-L497 HydrophobicContact CB-CD2 4.49Å; I418-L497 HydrophobicContact CG2-CD2 4.44Å; I418-L497 PolarHBondContact N-O 2.95Å; I418-L497 WeakPolarHBondContact O-CB 3.41Å; I418-L497 WeakPolarHBondContact O-CD2 3.5Å; I418-W503 HydrophobicContact CB-CD2 4.17Å; I418-W503 HydrophobicContact CB-CZ2 4.16Å; I418-W503 HydrophobicContact CD1-CB 4.45Å; I418-W503 HydrophobicContact CD1-CD2 4.46Å; I418-W503 HydrophobicContact CD1-CG 4.26Å; I418-W503 HydrophobicContact CG1-CB 4.33Å; I418-W503 HydrophobicContact CG1-CD2 3.7Å; I418-W503 HydrophobicContact CG1-CE3 4.36Å; I418-W503 HydrophobicContact CG1-CG 3.65Å; I418-W503 HydrophobicContact CG2-CD2 3.97Å; I418-W503 HydrophobicContact CG2-CE3 3.9Å; I418-W503 HydrophobicContact CG2-CH2 3.82Å; I418-W503 HydrophobicContact CG2-CZ2 3.89Å; I418-W503 HydrophobicContact CG2-CZ3 3.83Å
419S81.6Confident77.2Confident59 Ų5959 Ų5941%0.41331%0.308SS..EExtended strand (participates in β ladder)trans-90134.7167.156.70000109.6G411 D412G411-S419 CarbonylContact C-O 3.54Å; G411-S419 VanDerWaalsContact CA-O 3.26Å; G411-S419 WeakPolarHBondContact CA-O 3.35Å; D412-S419 PolarHBondContact N-O 2.91Å; D412-S419 PolarHBondContact O-N 3.2Å; D412-S419 PolarHBondContact O-OG 3.3Å
420R74.8Confident77.2Confident46 Ų4658.6 Ų58.617%0.17431%0.306CS..  trans-126.6149.7174.966.2171.6167.715986.1111.9H395 M409 S410 L497H395-R420 PolarHBondContact O-NH1 2.93Å; H395-R420 VanDerWaalsContact O-NH1 3.14Å; H395-R420 PolarHBondContact O-NH2 2.9Å; M409-R420 PolarHBondContact SD-NH1 2.72Å; M409-R420 VanDerWaalsContact SD-NH1 3.35Å; S410-R420 WeakPolarHBondContact O-CB 3.28Å; R420-L497 HydrophobicContact CB-CD2 4.26Å; R420-L497 HydrophobicContact CG-CD1 4.26Å; R420-L497 HydrophobicContact CG-CD2 3.69Å
421S67.3Low77.3Confident45 Ų4558.6 Ų58.632%0.31531%0.306SS..  trans-76.5143167.9-173.50000110.5N423 D426S421-N423 VanDerWaalsContact C-N 3.29Å; S421-N423 PolarHBondContact OG-N 3.35Å; S421-N423 VanDerWaalsContact OG-N 3.14Å; S421-D426 VanDerWaalsContact OG-CB 3.29Å; S421-D426 WeakPolarHBondContact OG-CB 3.34Å; S421-D426 PolarHBondContact OG-OD2 3Å
422I62.3Low77.2Confident113 Ų11361.9 Ų61.958%0.57932%0.32SS*.SBendtrans-78.9-21.9172.8-55.6145.4000109.9P392P392-I422 HydrophobicContact CB-CD1 3.39Å; P392-I422 HydrophobicContact CB-CG1 3.93Å; P392-I422 HydrophobicContact CG-CD1 3.45Å; P392-I422 VanDerWaalsContact CG-CD1 3.45Å; P392-I422 HydrophobicContact CG-CG1 4.13Å
423N61.3Low77.1Confident79 Ų7962.3 Ų62.342%0.42233%0.328SS..SBendtrans-83.3121.1179.8-170-20.5000110.3S421 R425 D426 T427S421-N423 VanDerWaalsContact C-N 3.29Å; S421-N423 PolarHBondContact OG-N 3.35Å; S421-N423 VanDerWaalsContact OG-N 3.14Å; N423-R425 PolarHBondContact O-N 3.14Å; N423-R425 VanDerWaalsContact O-N 3.07Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.91Å; N423-D426 WeakPolarHBondContact CB-OD2 3.42Å; N423-D426 PolarHBondContact O-N 3.34Å; N423-T427 PolarHBondContact O-N 2.72Å
424L59.2Low76.8Confident72 Ų7255.8 Ų55.838%0.37731%0.307SS..G310 helixtrans-57.6-23.9177.1-65.5176.4000113.1P407 D426 T427P407-L424 HydrophobicContact CB-CD2 3.96Å; P407-L424 HydrophobicContact CG-CD1 4.29Å; P407-L424 HydrophobicContact CG-CD2 3.8Å; L424-D426 VanDerWaalsContact C-N 3.27Å; L424-D426 PolarHBondContact O-N 2.86Å; L424-T427 HydrophobicContact CD2-CG2 4.45Å; L424-T427 PolarHBondContact O-N 2.9Å; L424-T427 PolarHBondContact O-OG1 3.06Å
425R55.9Low76.6Confident156 Ų15663.5 Ų63.559%0.58934%0.338SS*.G310 helixtrans-69.9-24.9175.6-64.4-172.5177.9-80.92.6113.5N423N423-R425 PolarHBondContact O-N 3.14Å; N423-R425 VanDerWaalsContact O-N 3.07Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.91Å
426D64.6Low76.6Confident62 Ų6262.4 Ų62.433%0.33233%0.326SS..G310 helixtrans-95.40.3178.2-57.2-28.3000111.7S421 N423 L424S421-D426 VanDerWaalsContact OG-CB 3.29Å; S421-D426 WeakPolarHBondContact OG-CB 3.34Å; S421-D426 PolarHBondContact OG-OD2 3Å; N423-D426 WeakPolarHBondContact CB-OD2 3.42Å; N423-D426 PolarHBondContact O-N 3.34Å; L424-D426 VanDerWaalsContact C-N 3.27Å; L424-D426 PolarHBondContact O-N 2.86Å
427T76.9Confident76.9Confident11 Ų1161.6 Ų61.67%0.06732%0.318CS..SBendtrans-80.9169.1168.668.90000110.6S410 N423 L424 S429S410-T427 VanDerWaalsContact OG-CA 3.32Å; S410-T427 WeakPolarHBondContact OG-CA 3.42Å; N423-T427 PolarHBondContact O-N 2.72Å; L424-T427 HydrophobicContact CD2-CG2 4.45Å; L424-T427 PolarHBondContact O-N 2.9Å; L424-T427 PolarHBondContact O-OG1 3.06Å; T427-S429 WeakPolarHBondContact O-CB 3.36Å; T427-S429 PolarHBondContact O-N 2.83Å; T427-S429 PolarHBondContact O-OG 2.82Å
428L89.3Confident77.2Confident13 Ų1362.2 Ų62.27%0.06832%0.32CS..SBendtrans-50.6113.4176.5-177.765.2000109.9L408 S410 V449 P486 V489 I506 L526L408-L428 HydrophobicContact CD1-CD2 4.21Å; S410-L428 PolarHBondContact OG-N 2.8Å; L428-V449 HydrophobicContact CD2-CG2 4.44Å; L428-V449 HydrophobicContact CG-CB 4.49Å; L428-V449 HydrophobicContact CG-CG2 4.06Å; L428-V449 PolarHBondContact O-N 3.03Å; L428-P486 HydrophobicContact CB-CG 3.98Å; L428-P486 HydrophobicContact CD1-CG 4.13Å; L428-V489 HydrophobicContact CD2-CG2 3.87Å; L428-I506 HydrophobicContact CD1-CD1 3.98Å; L428-I506 HydrophobicContact CD2-CD1 4.38Å; L428-L526 HydrophobicContact CD1-CD1 3.98Å; L428-L526 HydrophobicContact CD2-CD1 4.19Å; L428-L526 HydrophobicContact CG-CD1 4.17Å
429S90.1Very high77.3Confident14 Ų1462 Ų6210%0.09832%0.318CS..EExtended strand (participates in β ladder)trans-138.4152.4-168.959.60000111.7T427 R446 S447T427-S429 WeakPolarHBondContact O-CB 3.36Å; T427-S429 PolarHBondContact O-N 2.83Å; T427-S429 PolarHBondContact O-OG 2.82Å; S429-R446 PolarHBondContact O-NH2 2.91Å; S429-R446 PolarHBondContact OG-NE 2.91Å; S429-S447 CarbonylContact C-O 3.43Å; S429-S447 WeakPolarHBondContact CA-O 3.38Å; S429-S447 VanDerWaalsContact CB-O 3.25Å; S429-S447 WeakPolarHBondContact CB-O 3.3Å
430L90.1Very high77.5Confident1 Ų161.8 Ų61.81%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-105.9154.9175.5-64.5170.6000110.4R446 S447 V449 Y455 L524 L526 S571 V573L430-R446 VanDerWaalsContact O-CA 3.24Å; L430-R446 WeakPolarHBondContact O-CA 3.25Å; L430-R446 WeakPolarHBondContact O-CB 3.5Å; L430-S447 PolarHBondContact N-O 2.85Å; L430-S447 PolarHBondContact O-N 3.32Å; L430-V449 HydrophobicContact CD1-CG2 4.15Å; L430-V449 HydrophobicContact CG-CG2 3.87Å; L430-Y455 HydrophobicContact CB-CD1 4.46Å; L430-Y455 HydrophobicContact CD1-CD1 3.76Å; L430-L524 HydrophobicContact CD2-CD2 4.06Å; L430-L526 HydrophobicContact CD2-CD1 3.9Å; L430-L526 HydrophobicContact CD2-CG 4.35Å; L430-S571 VanDerWaalsContact CD2-OG 3.23Å; L430-S571 WeakPolarHBondContact CD2-OG 3.17Å; L430-V573 HydrophobicContact CD1-CB 3.81Å; L430-V573 HydrophobicContact CD1-CG1 3.49Å; L430-V573 VanDerWaalsContact CD1-CG1 3.49Å
431L90.1Very high77.8Confident3 Ų365.7 Ų65.72%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-58.7142.9172.3-177.965.5000109.6H444 S457 C459 V479L431-H444 HydrophobicContact CD1-CB 3.86Å; L431-S457 VanDerWaalsContact O-CB 3.23Å; L431-S457 WeakPolarHBondContact O-CB 3Å; L431-S457 PolarHBondContact O-OG 2.65Å; L431-C459 HydrophobicContact CD2-CB 4.27Å; L431-C459 VanDerWaalsContact CD2-SG 3.54Å; L431-V479 HydrophobicContact CD1-CG1 4.02Å; L431-V479 HydrophobicContact CD2-CG1 4.07Å
432Q87.4Confident78Confident72 Ų7266.2 Ų66.234%0.33634%0.343SS..  trans-108.5139.1170.8-167.9174.76.900109.6Q445Q432-Q445 HydrophobicContact CB-CB 4.1Å; Q432-Q445 WeakPolarHBondContact CB-O 3.42Å; Q432-Q445 PolarHBondContact N-O 3.39Å
433S84.5Confident78.5Confident65 Ų6566.8 Ų66.846%0.45535%0.354SS..  trans-68.8132.6176.1-61.40000110.7G458S433-G458 WeakPolarHBondContact CB-O 3.48Å; S433-G458 PolarHBondContact OG-N 3.1Å; S433-G458 VanDerWaalsContact OG-N 3.09Å; S433-G458 PolarHBondContact OG-O 3.21Å
434T78.9Confident79.5Confident31 Ų3166 Ų6619%0.1935%0.348CS..  trans-110.1164.7177.659.10000111D436 Q437T434-D436 VanDerWaalsContact C-N 3.28Å; T434-D436 PolarHBondContact O-N 2.81Å; T434-Q437 WeakPolarHBondContact O-CG 3.41Å; T434-Q437 PolarHBondContact O-N 2.88Å; T434-Q437 VanDerWaalsContact O-N 3.14Å
435E78.2Confident80.6Confident193 Ų19367.6 Ų67.690%0.90235%0.354SS*.THydrogen-bonded Turntrans-60.2-36.6179.9-66.6-172.7166.800113Q437E435-Q437 PolarHBondContact O-N 3.29Å
436D76.3Confident81.9Confident128 Ų12861.3 Ų61.368%0.68433%0.33SS*.THydrogen-bonded Turntrans-70-18.5179.6-63.4-50.4000113T434 D438T434-D436 VanDerWaalsContact C-N 3.28Å; T434-D436 PolarHBondContact O-N 2.81Å; D436-D438 PolarHBondContact O-N 2.85Å
437Q81.7Confident82.9Confident117 Ų11759.5 Ų59.555%0.54732%0.322SS..  trans50.917.4179.3-61.2-174.31.600115.5T434 E435 T460T434-Q437 WeakPolarHBondContact O-CG 3.41Å; T434-Q437 PolarHBondContact O-N 2.88Å; T434-Q437 VanDerWaalsContact O-N 3.14Å; E435-Q437 PolarHBondContact O-N 3.29Å; Q437-T460 WeakPolarHBondContact O-CA 3.37Å; Q437-T460 WeakPolarHBondContact O-CB 3.43Å; Q437-T460 PolarHBondContact O-N 2.56Å; Q437-T460 PolarHBondContact O-OG1 2.77Å
438D86.3Confident83.4Confident21 Ų2160.8 Ų60.811%0.11233%0.331CS..BIsolated β-bridgetrans-104.1123-174.5-175-22.7000110.6D436 L440 K441D436-D438 PolarHBondContact O-N 2.85Å; D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 PolarHBondContact OD1-N 3.16Å; D438-K441 HydrophobicContact CB-CB 4.12Å; D438-K441 HydrophobicContact CB-CD 4.04Å; D438-K441 HydrophobicContact CB-CG 4.2Å; D438-K441 WeakPolarHBondContact OD2-CD 3.29Å; D438-K441 WeakPolarHBondContact OD2-CE 3.33Å; D438-K441 WeakPolarHBondContact OD2-CG 3.4Å; D438-K441 IonicContact OD2-NZ 2.98Å; D438-K441 PolarHBondContact OD2-NZ 2.94Å
439C87.6Confident83.5Confident0 Ų060.3 Ų60.30%033%0.328CS..THydrogen-bonded Turntrans-70.1-20.6-177.8-61.40000114.2H444 C459 T460 L476 V569C439-H444 PolarHBondContact O-CE1 3.29Å; C439-H444 PolarHBondContact O-NE2 3.19Å; C439-C459 WeakPolarHBondContact CA-SG 3.06Å; C439-C459 HydrophobicContact CB-CB 4.05Å; C439-C459 WeakPolarHBondContact CB-SG 3.3Å; C439-C459 WeakPolarHBondContact SG-CB 3.12Å; C439-C459 CovalentContact SG-SG 2.03Å; C439-C459 PolarHBondContact SG-SG 2.78Å; C439-T460 PolarHBondContact N-O 2.03Å; C439-T460 VanDerWaalsContact SG-C 3.51Å; C439-T460 PolarHBondContact SG-N 3.13Å; C439-T460 VanDerWaalsContact SG-N 3.39Å; C439-T460 PolarHBondContact SG-O 2.77Å; C439-L476 HydrophobicContact CB-CD2 3.65Å; C439-V569 VanDerWaalsContact SG-CB 3.53Å; C439-V569 VanDerWaalsContact SG-CG2 3.59Å
440L85.5Confident83.6Confident55 Ų5562.2 Ų62.229%0.28834%0.337SS..THydrogen-bonded Turntrans-100.2-7.9-176.8-61.3-179.3000112.7D438 L461 D465D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 PolarHBondContact OD1-N 3.16Å; L440-L461 HydrophobicContact CD1-CD1 3.7Å; L440-L461 HydrophobicContact CD2-CD1 4.28Å; L440-L461 HydrophobicContact CG-CD1 3.82Å; L440-D465 HydrophobicContact CD1-CB 3.64Å
441K81.3Confident83.7Confident128 Ų12862.3 Ų62.356%0.55734%0.337SS*.SBendtrans-94.2111175-72.9179-172.7142.80111.2D438 H444D438-K441 HydrophobicContact CB-CB 4.12Å; D438-K441 HydrophobicContact CB-CD 4.04Å; D438-K441 HydrophobicContact CB-CG 4.2Å; D438-K441 WeakPolarHBondContact OD2-CD 3.29Å; D438-K441 WeakPolarHBondContact OD2-CE 3.33Å; D438-K441 WeakPolarHBondContact OD2-CG 3.4Å; D438-K441 IonicContact OD2-NZ 2.98Å; D438-K441 PolarHBondContact OD2-NZ 2.94Å; K441-H444 PolarHBondContact O-CE1 2.77Å
442G69.9Low83.7Confident57 Ų5763.7 Ų63.759%0.58835%0.353SS*.SBendtrans-84.9165.7171.600000113.2
443P74.1Confident83.8Confident125 Ų12564.6 Ų64.681%0.81236%0.357SS*.PPolyproline II helixcis-85.6136.4431.5-32.9000113.7
444H80.8Confident84.2Confident61 Ų6166.8 Ų66.828%0.28236%0.364SS..PPolyproline II helixtrans-81.9126.2178.4-57.6-64.4000111.5L431 C439 K441L431-H444 HydrophobicContact CD1-CB 3.86Å; C439-H444 PolarHBondContact O-CE1 3.29Å; C439-H444 PolarHBondContact O-NE2 3.19Å; K441-H444 PolarHBondContact O-CE1 2.77Å
445Q82.6Confident84.7Confident107 Ų10769.8 Ų69.850%0.537%0.372SS..PPolyproline II helixtrans-79.4146.1171-63.4-177.218.500109.9Q432Q432-Q445 HydrophobicContact CB-CB 4.1Å; Q432-Q445 WeakPolarHBondContact CB-O 3.42Å; Q432-Q445 PolarHBondContact N-O 3.39Å
446R84.4Confident85.4Confident23 Ų2366.9 Ų66.99%0.08736%0.36CS..EExtended strand (participates in β ladder)trans-134.7145.9178.9-55.9-169.97582.80.4110.4S429 L430 V479 L480S429-R446 PolarHBondContact O-NH2 2.91Å; S429-R446 PolarHBondContact OG-NE 2.91Å; L430-R446 VanDerWaalsContact O-CA 3.24Å; L430-R446 WeakPolarHBondContact O-CA 3.25Å; L430-R446 WeakPolarHBondContact O-CB 3.5Å; R446-V479 PolarHBondContact NH1-O 2.99Å; R446-L480 PolarHBondContact NH2-O 3.09Å
447S84.1Confident86.1Confident25 Ų2561.3 Ų61.318%0.17533%0.331CS..EExtended strand (participates in β ladder)trans-114.9136.6175.755.60000110.1S429 L430S429-S447 CarbonylContact C-O 3.43Å; S429-S447 WeakPolarHBondContact CA-O 3.38Å; S429-S447 VanDerWaalsContact CB-O 3.25Å; S429-S447 WeakPolarHBondContact CB-O 3.3Å; L430-S447 PolarHBondContact N-O 2.85Å; L430-S447 PolarHBondContact O-N 3.32Å
448P88.9Confident86.5Confident38 Ų3856.7 Ų56.725%0.24732%0.315CS..EExtended strand (participates in β ladder)trans-62.2148.3175.127.8-34.4000110.7P407 L450P407-P448 HydrophobicContact CB-CB 4.18Å; P448-L450 HydrophobicContact CG-CD2 4.15Å; P448-L450 PolarHBondContact O-N 3.36Å
449V91.3Very high86.7Confident3 Ų356.2 Ų56.22%0.01831%0.313CS..PPolyproline II helixtrans-73.1121.4172.8176.30000108.6P407 L408 L428 L430 L526 I528 V573 F575P407-V449 CarbonylContact C-O 3.42Å; P407-V449 WeakPolarHBondContact CA-O 2.92Å; L408-V449 HydrophobicContact CD1-CB 4.2Å; L408-V449 HydrophobicContact CD1-CG1 3.58Å; L408-V449 HydrophobicContact CG-CB 4.34Å; L408-V449 HydrophobicContact CG-CG1 4Å; L408-V449 PolarHBondContact N-O 2.72Å; L428-V449 HydrophobicContact CD2-CG2 4.44Å; L428-V449 HydrophobicContact CG-CB 4.49Å; L428-V449 HydrophobicContact CG-CG2 4.06Å; L428-V449 PolarHBondContact O-N 3.03Å; L430-V449 HydrophobicContact CD1-CG2 4.15Å; L430-V449 HydrophobicContact CG-CG2 3.87Å; V449-L526 HydrophobicContact CG2-CD1 4.12Å; V449-I528 HydrophobicContact CG1-CD1 3.99Å; V449-V573 HydrophobicContact CG1-CB 4.48Å; V449-V573 HydrophobicContact CG1-CG1 4.33Å; V449-V573 HydrophobicContact CG1-CG2 3.91Å; V449-F575 HydrophobicContact CG1-CE2 4.29Å; V449-F575 HydrophobicContact CG1-CZ 3.91Å
450L90.8Very high86.8Confident53 Ų5358.3 Ų58.328%0.27733%0.326SS..BIsolated β-bridgetrans-98.7131.9-178.5-54.1-176.5000110.4M406 P407 P448 G452 Q453 F575M406-L450 WeakPolarHBondContact O-CA 3.26Å; P407-L450 HydrophobicContact CB-CD2 4.37Å; P407-L450 HydrophobicContact CG-CD2 3.97Å; P448-L450 HydrophobicContact CG-CD2 4.15Å; P448-L450 PolarHBondContact O-N 3.36Å; L450-G452 PolarHBondContact O-N 3.09Å; L450-Q453 HydrophobicContact CB-CB 4.4Å; L450-Q453 PolarHBondContact O-N 2.89Å; L450-F575 WeakPolarHBondContact O-CE2 3.25Å; L450-F575 WeakPolarHBondContact O-CZ 3.11Å
451F93.8Very high86.9Confident3 Ų355.8 Ų55.81%0.01331%0.313CS..THydrogen-bonded Turntrans-59.8131.3-177.3-179.1-102.4000112.1Y402 V404 G405 M406 L408 Q453 W530 A541 I543 F575Y402-F451 VanDerWaalsContact CB-CG 3.5Å; Y402-F451 HydrophobicContact CD1-CB 4.14Å; Y402-F451 HydrophobicContact CD1-CD2 4.35Å; Y402-F451 HydrophobicContact CD1-CG 4.24Å; Y402-F451 HydrophobicContact CD2-CD2 4.48Å; Y402-F451 HydrophobicContact CG-CB 4.44Å; Y402-F451 AromaticContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CE2 4.42Å; Y402-F451 HydrophobicContact CG-CG 4.04Å; V404-F451 CarbonylContact C-O 3.54Å; V404-F451 WeakPolarHBondContact CA-O 3.21Å; V404-F451 HydrophobicContact CG2-CD1 4.26Å; V404-F451 HydrophobicContact CG2-CE1 4.32Å; G405-F451 PolarHBondContact N-O 2.94Å; M406-F451 PolarHBondContact O-N 3.27Å; L408-F451 HydrophobicContact CD2-CB 3.87Å; L408-F451 HydrophobicContact CD2-CD2 4.08Å; L408-F451 HydrophobicContact CD2-CG 4.47Å; F451-Q453 VanDerWaalsContact C-N 3.28Å; F451-Q453 PolarHBondContact O-N 2.99Å; F451-W530 HydrophobicContact CE2-CB 4.16Å; F451-W530 HydrophobicContact CE2-CD2 4.34Å; F451-W530 HydrophobicContact CE2-CG 4.16Å; F451-W530 HydrophobicContact CZ-CB 4.49Å; F451-W530 AromaticContact CZ-CD2 3.87Å; F451-W530 HydrophobicContact CZ-CD2 3.87Å; F451-W530 AromaticContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CG 4.19Å; F451-W530 HydrophobicContact CZ-CZ3 4.3Å; F451-A541 HydrophobicContact CE1-CB 3.69Å; F451-A541 HydrophobicContact CZ-CB 3.59Å; F451-I543 HydrophobicContact CD2-CD1 4.48Å; F451-I543 HydrophobicContact CE2-CG1 4.29Å; F451-F575 HydrophobicContact CD2-CD1 4.15Å; F451-F575 AromaticContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CE2-CD1 4.25Å; F451-F575 HydrophobicContact CE2-CE1 4.23Å; F451-F575 HydrophobicContact CG-CE1 4.41Å
452G89.2Confident86.9Confident33 Ų3351 Ų5134%0.3430%0.295SS..THydrogen-bonded Turntrans73.614.2175.400000114.9L450L450-G452 PolarHBondContact O-N 3.09Å
453Q90.2Very high87.1Confident91 Ų9149.8 Ų49.843%0.42528%0.275SS..  trans-121.5109176.2-62.4-172.923.100110.4L450 F451 F575L450-Q453 HydrophobicContact CB-CB 4.4Å; L450-Q453 PolarHBondContact O-N 2.89Å; F451-Q453 VanDerWaalsContact C-N 3.28Å; F451-Q453 PolarHBondContact O-N 2.99Å; Q453-F575 WeakPolarHBondContact O-CE2 3.34Å
454D92.5Very high86.8Confident111 Ų11150.2 Ų50.259%0.59427%0.267SS*.  trans-67.3135.1171.3-63.2-12.1000109.3V573 A574 F575D454-V573 WeakPolarHBondContact CA-O 3.34Å; D454-A574 WeakPolarHBondContact OD1-CA 3.28Å; D454-F575 PolarHBondContact OD1-N 3.47Å
455Y89.6Confident86Confident94 Ų9450.6 Ų50.637%0.36927%0.27SS..EExtended strand (participates in β ladder)trans-144.2142.7-175.1-178.5-102.2000111.1L430 S572 V573L430-Y455 HydrophobicContact CB-CD1 4.46Å; L430-Y455 HydrophobicContact CD1-CD1 3.76Å; Y455-S572 CarbonylContact O-C 3.57Å; Y455-S572 WeakPolarHBondContact O-CA 3.17Å; Y455-S572 WeakPolarHBondContact O-CB 2.9Å; Y455-V573 PolarHBondContact N-O 3.17Å; Y455-V573 VanDerWaalsContact N-O 3.15Å; Y455-V573 PolarHBondContact O-N 3.14Å
456M92.1Very high85.2Confident131 Ų13147.1 Ų47.165%0.64526%0.255SS*.EExtended strand (participates in β ladder)trans-142.1137177.3-179.4179.270.100110.5S571M456-S571 CarbonylContact C-O 3.54Å; M456-S571 WeakPolarHBondContact CA-O 3.12Å
457S91.8Very high84.4Confident12 Ų1252.4 Ų52.48%0.08429%0.29CS..EExtended strand (participates in β ladder)trans-145.4175179.462.30000110.5L431 R570 S571L431-S457 VanDerWaalsContact O-CB 3.23Å; L431-S457 WeakPolarHBondContact O-CB 3Å; L431-S457 PolarHBondContact O-OG 2.65Å; S457-R570 WeakPolarHBondContact O-CA 3.3Å; S457-S571 PolarHBondContact N-O 3.39Å; S457-S571 PolarHBondContact O-N 3.5Å; S457-S571 VanDerWaalsContact O-O 3.12Å; S457-S571 PolarHBondContact OG-O 2.79Å
458G89.8Confident84.1Confident19 Ų1954.5 Ų54.520%0.19630%0.299CS..EExtended strand (participates in β ladder)trans-173.8174.6176.300000115S433 V569S433-G458 WeakPolarHBondContact CB-O 3.48Å; S433-G458 PolarHBondContact OG-N 3.1Å; S433-G458 VanDerWaalsContact OG-N 3.09Å; S433-G458 PolarHBondContact OG-O 3.21Å; G458-V569 CarbonylContact C-O 3.6Å; G458-V569 WeakPolarHBondContact CA-O 3.32Å
459C91.1Very high83.6Confident11 Ų1153.7 Ų53.77%0.07429%0.294CS..EExtended strand (participates in β ladder)trans-137.6178.4171.556.70000108.3L431 C439 V569L431-C459 HydrophobicContact CD2-CB 4.27Å; L431-C459 VanDerWaalsContact CD2-SG 3.54Å; C439-C459 WeakPolarHBondContact CA-SG 3.06Å; C439-C459 HydrophobicContact CB-CB 4.05Å; C439-C459 WeakPolarHBondContact CB-SG 3.3Å; C439-C459 WeakPolarHBondContact SG-CB 3.12Å; C439-C459 CovalentContact SG-SG 2.03Å; C439-C459 PolarHBondContact SG-SG 2.78Å; C459-V569 PolarHBondContact N-O 3.39Å; C459-V569 PolarHBondContact O-N 3.09Å; C459-V569 VanDerWaalsContact O-O 3.13Å
460T89.1Confident83.1Confident45 Ų4556.7 Ų56.728%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-118.3144.4179.767.60000110.4Q437 C439 I566 V567Q437-T460 WeakPolarHBondContact O-CA 3.37Å; Q437-T460 WeakPolarHBondContact O-CB 3.43Å; Q437-T460 PolarHBondContact O-N 2.56Å; Q437-T460 PolarHBondContact O-OG1 2.77Å; C439-T460 PolarHBondContact N-O 2.03Å; C439-T460 VanDerWaalsContact SG-C 3.51Å; C439-T460 PolarHBondContact SG-N 3.13Å; C439-T460 VanDerWaalsContact SG-N 3.39Å; C439-T460 PolarHBondContact SG-O 2.77Å; T460-I566 VanDerWaalsContact CB-CG2 3.47Å; T460-I566 HydrophobicContact CG2-CG2 4.03Å; T460-V567 WeakPolarHBondContact CA-O 3.34Å
461L86.9Confident82.7Confident1 Ų159 Ų591%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-115.9122.5178176.971.9000108.5L440 I466 V472 L476 I520 I566 V567 V569L440-L461 HydrophobicContact CD1-CD1 3.7Å; L440-L461 HydrophobicContact CD2-CD1 4.28Å; L440-L461 HydrophobicContact CG-CD1 3.82Å; L461-I466 HydrophobicContact CD2-CD1 4Å; L461-V472 HydrophobicContact CD1-CG1 4.26Å; L461-V472 HydrophobicContact CD2-CG1 4.42Å; L461-L476 HydrophobicContact CD1-CD1 4.18Å; L461-L476 HydrophobicContact CD1-CD2 4.48Å; L461-L476 HydrophobicContact CD2-CD1 3.62Å; L461-L476 HydrophobicContact CG-CD1 4.46Å; L461-I520 HydrophobicContact CD2-CG2 4.18Å; L461-I566 WeakPolarHBondContact O-CA 3.21Å; L461-V567 PolarHBondContact N-O 3.38Å; L461-V567 PolarHBondContact O-N 2.65Å; L461-V569 HydrophobicContact CB-CG2 4.07Å
462S82.6Confident82.2Confident28 Ų2859.4 Ų59.420%0.19633%0.33CS..EExtended strand (participates in β ladder)trans-79.5131.3170.3-174.30000110.1E464 D465S462-E464 PolarHBondContact O-N 3.19Å; S462-E464 PolarHBondContact OG-N 3.11Å; S462-D465 WeakPolarHBondContact CB-OD2 3.43Å; S462-D465 WeakPolarHBondContact O-CB 3.37Å; S462-D465 PolarHBondContact O-N 2.82Å
463L73Confident81.9Confident32 Ų3258.7 Ų58.717%0.16832%0.32CS..G310 helixtrans-70-17.7177.3-67.7174000113D465 I466 L557 L560 S565 V567L463-D465 PolarHBondContact O-N 3.49Å; L463-I466 HydrophobicContact CD2-CD1 3.44Å; L463-I466 VanDerWaalsContact CD2-CD1 3.44Å; L463-I466 HydrophobicContact CD2-CG1 4.48Å; L463-I466 PolarHBondContact O-N 3.16Å; L463-L557 HydrophobicContact CD2-CD2 4.22Å; L463-L560 HydrophobicContact CD1-CB 3.71Å; L463-L560 HydrophobicContact CD1-CD1 3.66Å; L463-L560 HydrophobicContact CD1-CD2 4.14Å; L463-L560 HydrophobicContact CD1-CG 4.02Å; L463-L560 HydrophobicContact CD2-CD1 4.4Å; L463-S565 WeakPolarHBondContact CB-O 3.1Å; L463-S565 WeakPolarHBondContact CD1-O 3.41Å; L463-S565 VanDerWaalsContact CD1-OG 3.25Å; L463-S565 WeakPolarHBondContact CD1-OG 3.18Å; L463-S565 WeakPolarHBondContact CG-O 3.38Å; L463-S565 PolarHBondContact N-O 3.04Å; L463-V567 HydrophobicContact CD1-CG2 4.2Å; L463-V567 HydrophobicContact CD2-CG2 3.81Å; L463-V567 HydrophobicContact CG-CG2 3.97Å
464E68.7Low81.7Confident134 Ų13460.2 Ų60.263%0.62633%0.327SS*.G310 helixtrans-64.5-25.6173-65.7174.2-154.300111.7S462 I466 S564S462-E464 PolarHBondContact O-N 3.19Å; S462-E464 PolarHBondContact OG-N 3.11Å; E464-I466 VanDerWaalsContact C-N 3.26Å; E464-I466 PolarHBondContact O-N 3.36Å; E464-S564 WeakPolarHBondContact OE1-CB 3.4Å; E464-S564 PolarHBondContact OE1-OG 2.91Å
465D63.5Low81.4Confident68 Ų6857.3 Ų57.336%0.36432%0.315SS..G310 helixtrans-80.6-6.5179.6-59.7-37.7000112.8L440 S462 L463 T467L440-D465 HydrophobicContact CD1-CB 3.64Å; S462-D465 WeakPolarHBondContact CB-OD2 3.43Å; S462-D465 WeakPolarHBondContact O-CB 3.37Å; S462-D465 PolarHBondContact O-N 2.82Å; L463-D465 PolarHBondContact O-N 3.49Å; D465-T467 VanDerWaalsContact C-N 3.3Å; D465-T467 PolarHBondContact O-N 2.89Å
466I66.1Low81.3Confident34 Ų3452.8 Ų52.817%0.17430%0.298CS..  trans-87.469.2-176.5-47.9-172.9000110.7L461 L463 E464 C469 V472 I520L461-I466 HydrophobicContact CD2-CD1 4Å; L463-I466 HydrophobicContact CD2-CD1 3.44Å; L463-I466 VanDerWaalsContact CD2-CD1 3.44Å; L463-I466 HydrophobicContact CD2-CG1 4.48Å; L463-I466 PolarHBondContact O-N 3.16Å; E464-I466 VanDerWaalsContact C-N 3.26Å; E464-I466 PolarHBondContact O-N 3.36Å; I466-C469 HydrophobicContact CG2-CB 4.37Å; I466-V472 HydrophobicContact CG1-CG1 4.36Å; I466-I520 HydrophobicContact CD1-CD1 3.67Å; I466-I520 HydrophobicContact CG2-CD1 4.4Å
467T67.9Low81.1Confident135 Ų13548.1 Ų48.183%0.82828%0.275SS*.SBendtrans-81.7-33.4173.654.70000112.3D465D465-T467 VanDerWaalsContact C-N 3.3Å; D465-T467 PolarHBondContact O-N 2.89Å
468N78.1Confident81Confident69 Ų6952.5 Ų52.537%0.36930%0.298SS..  trans-136.9103.7174.8-174.5-19.7000109.9S470 L471 V472N468-S470 VanDerWaalsContact C-N 3.27Å; N468-S470 PolarHBondContact O-N 2.9Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 2.88Å; N468-L471 HydrophobicContact CB-CB 4.29Å; N468-L471 HydrophobicContact CB-CD1 4.04Å; N468-L471 HydrophobicContact CB-CG 4.25Å; N468-L471 PolarHBondContact O-N 3.12Å; N468-V472 PolarHBondContact O-N 2.93Å
469C78.8Confident81Confident20 Ų2052.1 Ų52.114%0.13529%0.291CS..Hα-helixtrans-59.2-36.2-1761760000113.8I466 L471 V472 S473 C518I466-C469 HydrophobicContact CG2-CB 4.37Å; C469-L471 VanDerWaalsContact C-N 3.33Å; C469-L471 PolarHBondContact O-N 2.88Å; C469-V472 PolarHBondContact O-N 2.84Å; C469-S473 WeakPolarHBondContact O-CB 3.26Å; C469-S473 PolarHBondContact O-N 2.86Å; C469-C518 HydrophobicContact CB-CB 3.7Å; C469-C518 WeakPolarHBondContact CB-SG 3.32Å; C469-C518 WeakPolarHBondContact SG-CB 3.24Å; C469-C518 CovalentContact SG-SG 1.98Å; C469-C518 PolarHBondContact SG-SG 2.94Å
470S80.3Confident80.9Confident67 Ų6751.6 Ų51.647%0.46929%0.288SS..Hα-helixtrans-62.9-41.7-179.964.80000111.8N468 Q474N468-S470 VanDerWaalsContact C-N 3.27Å; N468-S470 PolarHBondContact O-N 2.9Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 2.88Å; S470-Q474 WeakPolarHBondContact O-CG 3.43Å; S470-Q474 PolarHBondContact O-N 3.29Å; S470-Q474 VanDerWaalsContact O-N 3.09Å
471L81.9Confident80.9Confident102 Ų10252.5 Ų52.553%0.53429%0.286SS..Hα-helixtrans-70.2-43.7177.5-66.8178.9000111.8N468 C469 S473 Q474 S475N468-L471 HydrophobicContact CB-CB 4.29Å; N468-L471 HydrophobicContact CB-CD1 4.04Å; N468-L471 HydrophobicContact CB-CG 4.25Å; N468-L471 PolarHBondContact O-N 3.12Å; C469-L471 VanDerWaalsContact C-N 3.33Å; C469-L471 PolarHBondContact O-N 2.88Å; L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.88Å; L471-Q474 PolarHBondContact O-N 2.99Å; L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.31Å
472V83.2Confident80.9Confident11 Ų1152.8 Ų52.87%0.06729%0.29CS..Hα-helixtrans-64-40.1177.6173.40000111L461 I466 N468 C469 S475 L476L461-V472 HydrophobicContact CD1-CG1 4.26Å; L461-V472 HydrophobicContact CD2-CG1 4.42Å; I466-V472 HydrophobicContact CG1-CG1 4.36Å; N468-V472 PolarHBondContact O-N 2.93Å; C469-V472 PolarHBondContact O-N 2.84Å; V472-S475 PolarHBondContact O-N 2.83Å; V472-L476 HydrophobicContact CG1-CD1 3.7Å; V472-L476 HydrophobicContact CG1-CG 4.34Å; V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 2.87Å
473S83.7Confident80.5Confident17 Ų1756.4 Ų56.412%0.11931%0.312CS..Hα-helixtrans-61.1-49175.9178.50000111.9C469 L471 S475 L476 L477 Q519C469-S473 WeakPolarHBondContact O-CB 3.26Å; C469-S473 PolarHBondContact O-N 2.86Å; L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.88Å; S473-S475 PolarHBondContact O-N 2.83Å; S473-L476 PolarHBondContact O-N 2.97Å; S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 2.94Å; S473-Q519 VanDerWaalsContact CB-O 3.3Å; S473-Q519 WeakPolarHBondContact CB-O 3.49Å; S473-Q519 PolarHBondContact OG-O 2.78Å
474Q84.6Confident80.8Confident123 Ų12360.2 Ų60.258%0.57533%0.333SS*.Hα-helixtrans-63.8-41.6176.4-73.3-178.4-5.400112.2S470 L471 L477 N478S470-Q474 WeakPolarHBondContact O-CG 3.43Å; S470-Q474 PolarHBondContact O-N 3.29Å; S470-Q474 VanDerWaalsContact O-N 3.09Å; L471-Q474 PolarHBondContact O-N 2.99Å; Q474-L477 PolarHBondContact O-N 3.07Å; Q474-N478 VanDerWaalsContact O-CG 3.24Å; Q474-N478 PolarHBondContact O-N 3.39Å; Q474-N478 PolarHBondContact O-ND2 2.65Å
475S87.1Confident81.6Confident50 Ų5056.6 Ų56.635%0.3532%0.321SS..Hα-helixtrans-61.3-50177.5-167.60000110.9L471 V472 S473 L477 N478 V479L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.31Å; V472-S475 PolarHBondContact O-N 2.83Å; S473-S475 PolarHBondContact O-N 2.83Å; S475-L477 VanDerWaalsContact C-N 3.32Å; S475-L477 PolarHBondContact O-N 3.14Å; S475-N478 WeakPolarHBondContact O-CB 3.32Å; S475-N478 PolarHBondContact O-N 2.5Å; S475-N478 VanDerWaalsContact O-N 3.14Å; S475-V479 VanDerWaalsContact O-CG2 3.3Å; S475-V479 WeakPolarHBondContact O-CG2 3.36Å; S475-V479 PolarHBondContact O-N 3.45Å
476L88.1Confident82.8Confident0 Ų054.1 Ų54.10%031%0.309CS..Hα-helixtrans-63.5-37177.7-77.5166.3000112.7C439 L461 V472 S473 N478 V479 L480 I520 P521 V569C439-L476 HydrophobicContact CB-CD2 3.65Å; L461-L476 HydrophobicContact CD1-CD1 4.18Å; L461-L476 HydrophobicContact CD1-CD2 4.48Å; L461-L476 HydrophobicContact CD2-CD1 3.62Å; L461-L476 HydrophobicContact CG-CD1 4.46Å; V472-L476 HydrophobicContact CG1-CD1 3.7Å; V472-L476 HydrophobicContact CG1-CG 4.34Å; V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 2.87Å; S473-L476 PolarHBondContact O-N 2.97Å; L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3.01Å; L476-V479 CarbonylContact O-C 3.6Å; L476-V479 PolarHBondContact O-N 3.45Å; L476-L480 WeakPolarHBondContact O-CB 3.25Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 2.63Å; L476-I520 HydrophobicContact CD1-CG2 3.59Å; L476-P521 HydrophobicContact CB-CG 3.86Å; L476-V569 HydrophobicContact CD2-CG1 4.48Å; L476-V569 HydrophobicContact CD2-CG2 4.14Å
477L87.9Confident83.9Confident32 Ų3258 Ų5817%0.16833%0.326CS..Hα-helixtrans-62-42.8174.5-171.765.8000111.1S473 Q474 S475 V479 L480 R481 M510 P521 I550S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 2.94Å; Q474-L477 PolarHBondContact O-N 3.07Å; S475-L477 VanDerWaalsContact C-N 3.32Å; S475-L477 PolarHBondContact O-N 3.14Å; L477-V479 VanDerWaalsContact C-N 3.34Å; L477-L480 PolarHBondContact O-N 2.85Å; L477-R481 HydrophobicContact CD1-CG 4.44Å; L477-R481 WeakPolarHBondContact O-CB 3.22Å; L477-R481 PolarHBondContact O-N 2.86Å; L477-M510 HydrophobicContact CD1-SD 4.37Å; L477-P521 HydrophobicContact CB-CG 4.34Å; L477-I550 HydrophobicContact CD1-CD1 3.51Å
478N87.8Confident85.1Confident105 Ų10553.6 Ų53.656%0.56130%0.295SS*.Hα-helixtrans-66.4-35.4174.8-67.4-18.8000111.9Q474 S475 L476 G482Q474-N478 VanDerWaalsContact O-CG 3.24Å; Q474-N478 PolarHBondContact O-N 3.39Å; Q474-N478 PolarHBondContact O-ND2 2.65Å; S475-N478 WeakPolarHBondContact O-CB 3.32Å; S475-N478 PolarHBondContact O-N 2.5Å; S475-N478 VanDerWaalsContact O-N 3.14Å; L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3.01Å; N478-G482 CarbonylContact O-C 3.53Å; N478-G482 VanDerWaalsContact O-CA 3.23Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 3.14Å
479V89.8Confident85.8Confident10 Ų1050.3 Ų50.36%0.06128%0.277CS..Hα-helixtrans-67.6-38.9173.9173.10000111.1L431 R446 S475 L476 L477L431-V479 HydrophobicContact CD1-CG1 4.02Å; L431-V479 HydrophobicContact CD2-CG1 4.07Å; R446-V479 PolarHBondContact NH1-O 2.99Å; S475-V479 VanDerWaalsContact O-CG2 3.3Å; S475-V479 WeakPolarHBondContact O-CG2 3.36Å; S475-V479 PolarHBondContact O-N 3.45Å; L476-V479 CarbonylContact O-C 3.6Å; L476-V479 PolarHBondContact O-N 3.45Å; L477-V479 VanDerWaalsContact C-N 3.34Å
480L90.3Very high86.4Confident1 Ų149.4 Ų49.41%0.00527%0.271CS..Hα-helixtrans-72.8-44.5178.7-74.7172000112R446 L476 L477 P521 L524 V569R446-L480 PolarHBondContact NH2-O 3.09Å; L476-L480 WeakPolarHBondContact O-CB 3.25Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 2.63Å; L477-L480 PolarHBondContact O-N 2.85Å; L480-P521 HydrophobicContact CD1-CB 3.92Å; L480-P521 HydrophobicContact CD1-CG 4.32Å; L480-L524 HydrophobicContact CB-CB 4.08Å; L480-L524 HydrophobicContact CB-CD1 3.92Å; L480-L524 HydrophobicContact CD1-CB 4.27Å; L480-L524 HydrophobicContact CD2-CB 3.98Å; L480-L524 HydrophobicContact CG-CB 4.34Å; L480-V569 HydrophobicContact CD1-CG1 4.3Å; L480-V569 HydrophobicContact CD2-CG1 3.75Å; L480-V569 HydrophobicContact CG-CG1 4.21Å
481R88.9Confident87Confident64 Ų6446.5 Ų46.524%0.24225%0.25CS..Hα-helixtrans-83.5-27.8-177.9-75.9-174.7170.5163.81.2114.6L477 P485 S508 L524 E548L477-R481 HydrophobicContact CD1-CG 4.44Å; L477-R481 WeakPolarHBondContact O-CB 3.22Å; L477-R481 PolarHBondContact O-N 2.86Å; R481-P485 HydrophobicContact CB-CB 4.05Å; R481-P485 HydrophobicContact CB-CG 4.26Å; R481-S508 PolarHBondContact NH2-OG 2.81Å; R481-S508 VanDerWaalsContact NH2-OG 3.16Å; R481-L524 HydrophobicContact CG-CD1 3.99Å; R481-E548 WeakPolarHBondContact CG-OE1 3.35Å; R481-E548 IonicContact CZ-OE1 3.76Å; R481-E548 IonicContact CZ-OE2 3.46Å; R481-E548 IonicContact NE-OE1 2.9Å; R481-E548 PolarHBondContact NE-OE1 2.92Å; R481-E548 IonicContact NE-OE2 3.4Å; R481-E548 PolarHBondContact NE-OE2 3.39Å; R481-E548 IonicContact NH2-OE1 3.75Å; R481-E548 IonicContact NH2-OE2 2.72Å; R481-E548 PolarHBondContact NH2-OE2 3.47Å
482G86.4Confident87.5Confident7 Ų743 Ų437%0.07223%0.231CC..  trans87.5175.3-17200000113.3N478 N484N478-G482 CarbonylContact O-C 3.53Å; N478-G482 VanDerWaalsContact O-CA 3.23Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 3.14Å; G482-N484 PolarHBondContact O-N 3.36Å
483P75.5Confident87.6Confident103 Ų10342.5 Ų42.567%0.66923%0.228SC*.SBendtrans-68.7-31.7-171.125.3-33.3000114.2
484N78.8Confident87.7Confident112 Ų11243.9 Ų43.960%0.59923%0.234SC*.SBendtrans-137.981.8179-64.5-48000109.5G482G482-N484 PolarHBondContact O-N 3.36Å
485P85Confident87.7Confident59 Ų5938.2 Ų38.238%0.38321%0.208SC..  trans-71.9124.6-178.726.9-31.2000110.6R481R481-P485 HydrophobicContact CB-CB 4.05Å; R481-P485 HydrophobicContact CB-CG 4.26Å
486P88.7Confident87.6Confident16 Ų1640.7 Ų40.710%0.10422%0.216CC..  trans-69.9150.6-179.929.9-35.6000111.1L428 I506L428-P486 HydrophobicContact CB-CG 3.98Å; L428-P486 HydrophobicContact CD1-CG 4.13Å; P486-I506 HydrophobicContact CG-CD1 4.48Å; P486-I506 WeakPolarHBondContact O-CD1 3.35Å
487Q89.7Confident87.4Confident115 Ų11543.1 Ų43.154%0.53723%0.229SC..SBendtrans-92.6-22.6177.8-67.7-179.32.700114.2G411 D412 I506G411-Q487 PolarHBondContact O-N 2.86Å; D412-Q487 WeakPolarHBondContact OD1-CG 3.08Å; D412-Q487 PolarHBondContact OD1-N 2.87Å; Q487-I506 PolarHBondContact O-N 2.75Å
488Y92.1Very high87.2Confident43 Ų4349.5 Ų49.517%0.16926%0.258CS..EExtended strand (participates in β ladder)trans-131.9152.6-174.3-61.9-97.1000111.8S410 G411 R413 I418 W503 V504 P505S410-Y488 CarbonylContact C-O 3.51Å; S410-Y488 WeakPolarHBondContact CA-O 3.23Å; S410-Y488 WeakPolarHBondContact CB-O 3.42Å; G411-Y488 PolarHBondContact N-O 2.81Å; G411-Y488 PolarHBondContact O-N 2.75Å; R413-Y488 HydrophobicContact CB-CE2 3.92Å; I418-Y488 HydrophobicContact CD1-CD2 4.23Å; I418-Y488 HydrophobicContact CD1-CG 4.24Å; Y488-W503 HydrophobicContact CD1-CB 4.19Å; Y488-W503 HydrophobicContact CG-CB 4.5Å; Y488-V504 WeakPolarHBondContact CA-O 3.49Å; Y488-P505 HydrophobicContact CD1-CB 4.05Å; Y488-P505 HydrophobicContact CE1-CB 3.86Å
489V93.1Very high87Confident0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-129.2140.7171.3178.10000109.1L408 M409 L428 W503 V504 I506 I543 I546L408-V489 HydrophobicContact CB-CG1 4.25Å; L408-V489 HydrophobicContact CD1-CG1 4.49Å; M409-V489 CarbonylContact O-C 3.5Å; M409-V489 VanDerWaalsContact O-CA 3.3Å; M409-V489 WeakPolarHBondContact O-CA 3.49Å; M409-V489 WeakPolarHBondContact O-CG1 3.24Å; L428-V489 HydrophobicContact CD2-CG2 3.87Å; V489-W503 CarbonylContact O-C 3.55Å; V489-V504 PolarHBondContact N-O 2.89Å; V489-V504 PolarHBondContact O-N 3.31Å; V489-I506 HydrophobicContact CG2-CD1 3.93Å; V489-I506 HydrophobicContact CG2-CG1 4.09Å; V489-I543 HydrophobicContact CG1-CD1 3.98Å; V489-I546 HydrophobicContact CB-CD1 3.4Å; V489-I546 HydrophobicContact CG1-CD1 3.62Å; V489-I546 HydrophobicContact CG2-CD1 3.39Å
490A92.1Very high86.9Confident0 Ų049.3 Ų49.30%026%0.258CS..EExtended strand (participates in β ladder)trans-65.9145.2178.500000111.8Y402 M409 F492 T495 W503Y402-A490 WeakPolarHBondContact CE2-O 3.42Å; Y402-A490 PolarHBondContact OH-O 3.13Å; M409-A490 HydrophobicContact CB-CB 4Å; M409-A490 HydrophobicContact CE-CB 3.6Å; M409-A490 PolarHBondContact O-N 3Å; A490-F492 WeakPolarHBondContact CB-O 3Å; A490-T495 HydrophobicContact CB-CG2 4.37Å; A490-W503 HydrophobicContact CB-CD2 4.3Å; A490-W503 HydrophobicContact CB-CE3 4.13Å; A490-W503 HydrophobicContact CB-CH2 4.15Å; A490-W503 HydrophobicContact CB-CZ2 4.29Å; A490-W503 HydrophobicContact CB-CZ3 4.07Å
491S93.2Very high86.7Confident6 Ų657.1 Ų57.14%0.04230%0.299CS..SBendtrans-74.7-32174.159.60000112D502 Q542 I543S491-D502 WeakPolarHBondContact CB-O 3.45Å; S491-D502 PolarHBondContact N-O 2.72Å; S491-D502 PolarHBondContact OG-O 3.4Å; S491-Q542 CarbonylContact O-C 3.56Å; S491-Q542 VanDerWaalsContact O-CA 3.28Å; S491-Q542 WeakPolarHBondContact O-CA 3.4Å; S491-Q542 WeakPolarHBondContact O-CG 3.42Å; S491-I543 PolarHBondContact O-N 2.86Å
492F91.4Very high86.8Confident30 Ų3056.7 Ų56.713%0.13230%0.302CS..SBendtrans-121.8156.4178.5-72.5-75.2000111.7P400 Y402 M409 A490 N494 T495 Y533 Q540 Q542P400-F492 WeakPolarHBondContact O-CB 3.18Å; Y402-F492 VanDerWaalsContact CE2-C 3.49Å; M409-F492 WeakPolarHBondContact CE-O 3.38Å; A490-F492 WeakPolarHBondContact CB-O 3Å; F492-N494 PolarHBondContact O-N 3.32Å; F492-T495 PolarHBondContact N-OG1 3.31Å; F492-T495 PolarHBondContact O-N 3.41Å; F492-T495 PolarHBondContact O-OG1 3.34Å; F492-Y533 HydrophobicContact CE1-CD1 4.45Å; F492-Y533 AromaticContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CG 4.24Å; F492-Q540 HydrophobicContact CE1-CB 4.36Å; F492-Q542 HydrophobicContact CD1-CB 4.23Å; F492-Q542 HydrophobicContact CD1-CG 4.24Å; F492-Q542 HydrophobicContact CD2-CG 4.34Å; F492-Q542 HydrophobicContact CE1-CB 3.68Å; F492-Q542 HydrophobicContact CE1-CG 3.77Å; F492-Q542 HydrophobicContact CE2-CG 3.89Å; F492-Q542 VanDerWaalsContact CE2-NE2 3.32Å; F492-Q542 HydrophobicContact CZ-CB 3.93Å; F492-Q542 HydrophobicContact CZ-CG 3.58Å
493G85.6Confident87Confident0 Ų056.9 Ų56.90%030%0.3CS..THydrogen-bonded Turntrans-67-14.3179.500000114.5Y396 S397 G398 P400 M409Y396-G493 CarbonylContact C-O 3.49Å; Y396-G493 WeakPolarHBondContact CA-O 3.4Å; Y396-G493 WeakPolarHBondContact CB-O 3.39Å; S397-G493 PolarHBondContact N-O 3.01Å; G398-G493 PolarHBondContact N-O 2.85Å; G398-G493 CarbonylContact O-C 3.56Å; G398-G493 VanDerWaalsContact O-O 3.14Å; P400-G493 WeakPolarHBondContact O-CA 3.49Å; P400-G493 PolarHBondContact O-N 3.1Å; M409-G493 WeakPolarHBondContact CE-O 3.35Å; M409-G493 VanDerWaalsContact SD-O 3.36Å
494N85.3Confident87.9Confident46 Ų4652.9 Ų52.925%0.24627%0.274CS..THydrogen-bonded Turntrans-120.815.3178.571.5-21.5000115Y396 G398 N399 P400 F492 L496Y396-N494 HydrophobicContact CD1-CB 4.12Å; Y396-N494 HydrophobicContact CE1-CB 4.49Å; G398-N494 WeakPolarHBondContact O-CB 3.4Å; G398-N494 PolarHBondContact O-N 3.24Å; N399-N494 PolarHBondContact OD1-ND2 3.14Å; P400-N494 VanDerWaalsContact CA-CG 3.43Å; P400-N494 WeakPolarHBondContact CA-ND2 3.41Å; P400-N494 VanDerWaalsContact CA-OD1 3.29Å; P400-N494 WeakPolarHBondContact CA-OD1 3.17Å; P400-N494 WeakPolarHBondContact CB-OD1 3.25Å; P400-N494 PolarHBondContact O-N 3.38Å; P400-N494 PolarHBondContact O-OD1 3.06Å; F492-N494 PolarHBondContact O-N 3.32Å; N494-L496 PolarHBondContact O-N 3.33Å
495T86Confident88.7Confident4 Ų450.4 Ų50.43%0.02526%0.264CS..  trans-56.1131.4-177.9-61.70000111.9A490 F492 D502 W503A490-T495 HydrophobicContact CB-CG2 4.37Å; F492-T495 PolarHBondContact N-OG1 3.31Å; F492-T495 PolarHBondContact O-N 3.41Å; F492-T495 PolarHBondContact O-OG1 3.34Å; T495-D502 HydrophobicContact CG2-CB 3.41Å; T495-D502 VanDerWaalsContact CG2-CB 3.41Å; T495-W503 HydrophobicContact CG2-CZ2 4.44Å
496L83.8Confident89.1Confident101 Ų10149.2 Ų49.253%0.52925%0.254SS..  trans-75.3146.9175.5-61.7177000111.2N494 E498 N499 W503N494-L496 PolarHBondContact O-N 3.33Å; L496-E498 PolarHBondContact O-N 3.2Å; L496-N499 PolarHBondContact O-N 3.36Å; L496-N499 VanDerWaalsContact O-N 3.16Å; L496-W503 PolarHBondContact O-NE1 2.94Å
497L83.4Confident89.2Confident52 Ų5254.6 Ų54.627%0.27228%0.276SS..THydrogen-bonded Turntrans-64.5-28.2-178.1-63.6176.4000113.4I418 R420 N499 W503I418-L497 HydrophobicContact CB-CD2 4.49Å; I418-L497 HydrophobicContact CG2-CD2 4.44Å; I418-L497 PolarHBondContact N-O 2.95Å; I418-L497 WeakPolarHBondContact O-CB 3.41Å; I418-L497 WeakPolarHBondContact O-CD2 3.5Å; R420-L497 HydrophobicContact CB-CD2 4.26Å; R420-L497 HydrophobicContact CG-CD1 4.26Å; R420-L497 HydrophobicContact CG-CD2 3.69Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-W503 HydrophobicContact CD2-CH2 4.12Å; L497-W503 HydrophobicContact CD2-CZ2 3.75Å
498E83.4Confident89.1Confident166 Ų16651.2 Ų51.278%0.77627%0.265SS*.THydrogen-bonded Turntrans-74.7-23.2178.4-61.5172.2-165.400112.5L496 V500L496-E498 PolarHBondContact O-N 3.2Å; E498-V500 PolarHBondContact O-N 3.31Å; E498-V500 VanDerWaalsContact O-N 3.11Å
499N85.1Confident88.5Confident64 Ų6453.8 Ų53.834%0.34228%0.281SS..  trans-89.673-175.3-1695.4000112.4L496 L497 L501 D502L496-N499 PolarHBondContact O-N 3.36Å; L496-N499 VanDerWaalsContact O-N 3.16Å; L497-N499 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.89Å; N499-D502 PolarHBondContact ND2-OD1 2.9Å; N499-D502 PolarHBondContact ND2-OD2 2.71Å; N499-D502 PolarHBondContact O-N 2.95Å
500V86.1Confident87.4Confident47 Ų4755.3 Ų55.329%0.28529%0.289SS..G310 helixtrans-54.9-28.7-176.4-175.30000113.8E498 D502 W503E498-V500 PolarHBondContact O-N 3.31Å; E498-V500 VanDerWaalsContact O-N 3.11Å; V500-D502 VanDerWaalsContact C-N 3.26Å; V500-D502 PolarHBondContact O-N 2.85Å; V500-W503 PolarHBondContact O-N 2.83Å
501L87Confident85.8Confident165 Ų16560 Ų6086%0.86431%0.314SS*.G310 helixtrans-69.5-24.5-179.1-67.4176.8000113.3N499 W503N499-L501 PolarHBondContact O-N 2.89Å; L501-W503 PolarHBondContact O-N 3.13Å
502D90Very high84Confident55 Ų5565.5 Ų65.529%0.29435%0.35SS..G310 helixtrans-84.24.3177.1-74.31.2000112.1S491 T495 N499 V500S491-D502 WeakPolarHBondContact CB-O 3.45Å; S491-D502 PolarHBondContact N-O 2.72Å; S491-D502 PolarHBondContact OG-O 3.4Å; T495-D502 HydrophobicContact CG2-CB 3.41Å; T495-D502 VanDerWaalsContact CG2-CB 3.41Å; N499-D502 PolarHBondContact ND2-OD1 2.9Å; N499-D502 PolarHBondContact ND2-OD2 2.71Å; N499-D502 PolarHBondContact O-N 2.95Å; V500-D502 VanDerWaalsContact C-N 3.26Å; V500-D502 PolarHBondContact O-N 2.85Å
503W92.2Very high82.1Confident10 Ų1070.2 Ų70.24%0.03838%0.381CS..EExtended strand (participates in β ladder)trans-104124177.3-67.980.5000111.4I418 Y488 V489 A490 T495 L496 L497 V500 L501I418-W503 HydrophobicContact CB-CD2 4.17Å; I418-W503 HydrophobicContact CB-CZ2 4.16Å; I418-W503 HydrophobicContact CD1-CB 4.45Å; I418-W503 HydrophobicContact CD1-CD2 4.46Å; I418-W503 HydrophobicContact CD1-CG 4.26Å; I418-W503 HydrophobicContact CG1-CB 4.33Å; I418-W503 HydrophobicContact CG1-CD2 3.7Å; I418-W503 HydrophobicContact CG1-CE3 4.36Å; I418-W503 HydrophobicContact CG1-CG 3.65Å; I418-W503 HydrophobicContact CG2-CD2 3.97Å; I418-W503 HydrophobicContact CG2-CE3 3.9Å; I418-W503 HydrophobicContact CG2-CH2 3.82Å; I418-W503 HydrophobicContact CG2-CZ2 3.89Å; I418-W503 HydrophobicContact CG2-CZ3 3.83Å; Y488-W503 HydrophobicContact CD1-CB 4.19Å; Y488-W503 HydrophobicContact CG-CB 4.5Å; V489-W503 CarbonylContact O-C 3.55Å; A490-W503 HydrophobicContact CB-CD2 4.3Å; A490-W503 HydrophobicContact CB-CE3 4.13Å; A490-W503 HydrophobicContact CB-CH2 4.15Å; A490-W503 HydrophobicContact CB-CZ2 4.29Å; A490-W503 HydrophobicContact CB-CZ3 4.07Å; T495-W503 HydrophobicContact CG2-CZ2 4.44Å; L496-W503 PolarHBondContact O-NE1 2.94Å; L497-W503 HydrophobicContact CD2-CH2 4.12Å; L497-W503 HydrophobicContact CD2-CZ2 3.75Å; V500-W503 PolarHBondContact O-N 2.83Å; L501-W503 PolarHBondContact O-N 3.13Å
504V94.4Very high80.6Confident20 Ų2077.6 Ų77.612%0.12142%0.416CS..EExtended strand (participates in β ladder)trans-88.9122.3-178.2-176.50000109.3Y488 V489Y488-V504 WeakPolarHBondContact CA-O 3.49Å; V489-V504 PolarHBondContact N-O 2.89Å; V489-V504 PolarHBondContact O-N 3.31Å
505P94.1Very high78.9Confident59 Ų5978.9 Ų78.938%0.38343%0.425SS..EExtended strand (participates in β ladder)trans-72.1138.5176.728.9-33.7000111.2Y488 K507Y488-P505 HydrophobicContact CD1-CB 4.05Å; Y488-P505 HydrophobicContact CE1-CB 3.86Å; P505-K507 PolarHBondContact O-N 3.42Å
506I93.6Very high77.3Confident35 Ų3588.8 Ų88.818%0.17947%0.471CS..EExtended strand (participates in β ladder)trans-76.2115.1173.1-55.8-176.7000108.5L428 P486 Q487 V489 I546 E548L428-I506 HydrophobicContact CD1-CD1 3.98Å; L428-I506 HydrophobicContact CD2-CD1 4.38Å; P486-I506 HydrophobicContact CG-CD1 4.48Å; P486-I506 WeakPolarHBondContact O-CD1 3.35Å; Q487-I506 PolarHBondContact O-N 2.75Å; V489-I506 HydrophobicContact CG2-CD1 3.93Å; V489-I506 HydrophobicContact CG2-CG1 4.09Å; I506-I546 HydrophobicContact CG1-CG2 4.3Å; I506-I546 HydrophobicContact CG2-CG2 4.18Å; I506-E548 HydrophobicContact CG2-CB 4.11Å
507K91.6Very high76.2Confident129 Ų12987.3 Ų87.356%0.56147%0.469SS*.EExtended strand (participates in β ladder)trans-91.2117179.4-66.3177.9-177.4172.30109.9P505 I546 R547 E548P505-K507 PolarHBondContact O-N 3.42Å; K507-I546 PolarHBondContact N-O 2.98Å; K507-I546 VanDerWaalsContact N-O 3.12Å; K507-R547 CarbonylContact O-C 3.48Å; K507-R547 WeakPolarHBondContact O-CA 3.38Å; K507-E548 PolarHBondContact O-N 3.14Å
508S86.6Confident75.7Confident44 Ų4488 Ų8831%0.30848%0.478SS..EExtended strand (participates in β ladder)trans-95.3143.6174.5-169.80000111.6R481 M510 E548R481-S508 PolarHBondContact NH2-OG 2.81Å; R481-S508 VanDerWaalsContact NH2-OG 3.16Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact OG-N 2.8Å; S508-E548 WeakPolarHBondContact CA-O 3.23Å; S508-E548 WeakPolarHBondContact CB-OE2 3.49Å; S508-E548 PolarHBondContact OG-OE2 2.87Å
509N80.9Confident75.4Confident96 Ų9682.5 Ų82.551%0.51345%0.452SS..SBendtrans-80.4-8.4170.569.1-16000113.4E548 I550N509-E548 PolarHBondContact N-O 3.3Å; N509-E548 VanDerWaalsContact N-O 3.14Å; N509-E548 PolarHBondContact OD1-O 3.37Å; N509-I550 PolarHBondContact ND2-N 2.85Å; N509-I550 PolarHBondContact ND2-O 2.86Å; N509-I550 PolarHBondContact OD1-N 2.86Å
510M69Low75.3Confident32 Ų3279.8 Ų79.816%0.15844%0.437CS..  trans-105.5113.5-174.5-162.8172.8-165.900111.5L477 S508 I550 T552L477-M510 HydrophobicContact CD1-SD 4.37Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact OG-N 2.8Å; M510-I550 HydrophobicContact CB-CD1 4.26Å; M510-I550 HydrophobicContact SD-CB 4.31Å; M510-I550 HydrophobicContact SD-CD1 4.03Å; M510-I550 HydrophobicContact SD-CG2 3.95Å; M510-T552 HydrophobicContact CE-CG2 3.92Å
511N59.3Low75.3Confident100 Ų10077.5 Ų77.554%0.53542%0.424SS..  trans-86.3122.5173.3-78.3-18.4000110.5T513N511-T513 PolarHBondContact O-N 2.66Å; N511-T513 VanDerWaalsContact O-N 3.15Å
512P55.4Low75.4Confident121 Ų12171.4 Ų71.479%0.78639%0.392SS*.THydrogen-bonded Turntrans-68.9-9.9-17924.9-31.7000114.4
513T50.6Low75.4Confident129 Ų12969.3 Ų69.379%0.79138%0.381SS*.THydrogen-bonded Turntrans-94.8-3.2-173.823.60000115.5N511N511-T513 PolarHBondContact O-N 2.66Å; N511-T513 VanDerWaalsContact O-N 3.15Å
514E53.7Low75.5Confident155 Ų15569.1 Ų69.172%0.72438%0.381SS*.  trans-121.462.7-176.7-71.5-174.316100112.6
515V51.5Low75.5Confident72 Ų7270.7 Ų70.744%0.43639%0.387SS..  trans-134.681178.1-161.20000111.9S517V515-S517 WeakPolarHBondContact CG1-O 3.46Å
516Q51.7Low75.6Confident213 Ų21368 Ų68100%0.99537%0.369SS*.SBendtrans-91.6-3.5163-81.8-178-11.900112.8
517S61.3Low75.7Confident70 Ų7068.1 Ų68.149%0.4937%0.369SS..SBendtrans-125.3132.3178.657.60000111.3V515 Q519V515-S517 WeakPolarHBondContact CG1-O 3.46Å; S517-Q519 PolarHBondContact O-N 2.84Å; S517-Q519 VanDerWaalsContact O-N 3.12Å
518C71.9Confident76Confident67 Ų6762 Ų6245%0.45334%0.342SS..  trans-51.9111176.5157.20000112.3C469 L557C469-C518 HydrophobicContact CB-CB 3.7Å; C469-C518 WeakPolarHBondContact CB-SG 3.32Å; C469-C518 WeakPolarHBondContact SG-CB 3.24Å; C469-C518 CovalentContact SG-SG 1.98Å; C469-C518 PolarHBondContact SG-SG 2.94Å; C518-L557 WeakPolarHBondContact SG-CD1 3.41Å
519Q77.9Confident76.4Confident50 Ų5061.9 Ų61.923%0.23434%0.337CS..  trans-124.4117175.7-73.8-179.6-5.400109.1S473 S517 T552S473-Q519 VanDerWaalsContact CB-O 3.3Å; S473-Q519 WeakPolarHBondContact CB-O 3.49Å; S473-Q519 PolarHBondContact OG-O 2.78Å; S517-Q519 PolarHBondContact O-N 2.84Å; S517-Q519 VanDerWaalsContact O-N 3.12Å; Q519-T552 HydrophobicContact CB-CG2 4.11Å
520I81.8Confident77.1Confident6 Ų659.5 Ų59.53%0.03132%0.321CS..  trans-95.2122.5179.7-63.5163.5000108.5L461 I466 L476 L522 T552 N553 L557L461-I520 HydrophobicContact CD2-CG2 4.18Å; I466-I520 HydrophobicContact CD1-CD1 3.67Å; I466-I520 HydrophobicContact CG2-CD1 4.4Å; L476-I520 HydrophobicContact CD1-CG2 3.59Å; I520-L522 HydrophobicContact CG2-CD2 3.9Å; I520-L522 PolarHBondContact O-N 3.39Å; I520-T552 VanDerWaalsContact O-CA 3.23Å; I520-T552 WeakPolarHBondContact O-CA 3.45Å; I520-N553 PolarHBondContact O-N 3.31Å; I520-L557 HydrophobicContact CD1-CD1 3.83Å; I520-L557 HydrophobicContact CD1-CD2 3.93Å; I520-L557 HydrophobicContact CD1-CG 4.4Å
521P87.1Confident78.2Confident0 Ų059.1 Ų59.10%032%0.32CS..EExtended strand (participates in β ladder)trans-74.4119.4175.731.2-32.4000109.8L476 L477 L480 I550 T552L476-P521 HydrophobicContact CB-CG 3.86Å; L477-P521 HydrophobicContact CB-CG 4.34Å; L480-P521 HydrophobicContact CD1-CB 3.92Å; L480-P521 HydrophobicContact CD1-CG 4.32Å; P521-I550 HydrophobicContact CB-CG2 3.64Å; P521-T552 HydrophobicContact CB-CG2 4.49Å
522L87.8Confident79.6Confident37 Ų3760.4 Ų60.419%0.19432%0.321CS..EExtended strand (participates in β ladder)trans-104.8-22.3-178.7-63.2-176.4000112.4I520 E551 N553 V567 V569 R570I520-L522 HydrophobicContact CG2-CD2 3.9Å; I520-L522 PolarHBondContact O-N 3.39Å; L522-E551 PolarHBondContact N-O 2.91Å; L522-N553 HydrophobicContact CD1-CB 3.94Å; L522-N553 HydrophobicContact CG-CB 4.45Å; L522-V567 HydrophobicContact CD1-CG1 3.91Å; L522-V567 HydrophobicContact CD2-CG1 3.57Å; L522-V567 HydrophobicContact CG-CG1 4.35Å; L522-V569 HydrophobicContact CD2-CG2 4.45Å; L522-V569 CarbonylContact O-C 3.48Å; L522-V569 WeakPolarHBondContact O-CA 3.44Å; L522-R570 PolarHBondContact O-N 3.45Å
523S90.9Very high81Confident11 Ų1160.4 Ų60.48%0.07731%0.307CS..EExtended strand (participates in β ladder)trans-142.1147.1175.974.50000111.6I550 E551 R570S523-I550 VanDerWaalsContact O-CA 3.31Å; S523-I550 WeakPolarHBondContact O-CA 3.39Å; S523-E551 PolarHBondContact N-O 2.69Å; S523-E551 PolarHBondContact O-N 2.85Å; S523-E551 VanDerWaalsContact O-N 3.13Å; S523-E551 WeakPolarHBondContact OG-CB 3.35Å; S523-E551 VanDerWaalsContact OG-CD 3.25Å; S523-E551 WeakPolarHBondContact OG-CG 3.3Å; S523-E551 PolarHBondContact OG-OE2 3.39Å; S523-R570 CarbonylContact C-O 3.53Å; S523-R570 VanDerWaalsContact CA-O 3.23Å; S523-R570 WeakPolarHBondContact CA-O 3.19Å
524L93.5Very high82.5Confident6 Ų656.5 Ų56.53%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-121.7118.8163.7-178.2153.9000107.7L430 L480 R481 L526 E548 R570 S571 S572L430-L524 HydrophobicContact CD2-CD2 4.06Å; L480-L524 HydrophobicContact CB-CB 4.08Å; L480-L524 HydrophobicContact CB-CD1 3.92Å; L480-L524 HydrophobicContact CD1-CB 4.27Å; L480-L524 HydrophobicContact CD2-CB 3.98Å; L480-L524 HydrophobicContact CG-CB 4.34Å; R481-L524 HydrophobicContact CG-CD1 3.99Å; L524-L526 HydrophobicContact CD2-CD1 4.49Å; L524-L526 HydrophobicContact CD2-CD2 4.1Å; L524-L526 HydrophobicContact CD2-CG 3.83Å; L524-E548 HydrophobicContact CD1-CG 4.24Å; L524-E548 WeakPolarHBondContact CD1-OE1 3.36Å; L524-E548 HydrophobicContact CG-CG 4.16Å; L524-R570 PolarHBondContact N-O 3.31Å; L524-S571 CarbonylContact O-C 3.56Å; L524-S571 VanDerWaalsContact O-CA 3.32Å; L524-S571 WeakPolarHBondContact O-CA 3.42Å; L524-S572 PolarHBondContact O-N 2.03Å
525H95.3Very high83.5Confident52 Ų5252.4 Ų52.424%0.24128%0.28CS..EExtended strand (participates in β ladder)trans-118.2124.1175.2-173.865.1000110M549 S572H525-M549 HydrophobicContact CB-CB 4.38Å; H525-M549 PolarHBondContact N-O 3.22Å; H525-M549 PolarHBondContact O-N 2.68Å; H525-S572 CarbonylContact C-O 3.57Å; H525-S572 WeakPolarHBondContact CA-O 3.31Å; H525-S572 PolarHBondContact ND1-OG 2.92Å
526L95.7Very high84.5Confident4 Ų453.5 Ų53.52%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-97.1117.9172.8-64.8178.7000109.5L428 L430 V449 L524 R547 E548 S572 V573 A574L428-L526 HydrophobicContact CD1-CD1 3.98Å; L428-L526 HydrophobicContact CD2-CD1 4.19Å; L428-L526 HydrophobicContact CG-CD1 4.17Å; L430-L526 HydrophobicContact CD2-CD1 3.9Å; L430-L526 HydrophobicContact CD2-CG 4.35Å; V449-L526 HydrophobicContact CG2-CD1 4.12Å; L524-L526 HydrophobicContact CD2-CD1 4.49Å; L524-L526 HydrophobicContact CD2-CD2 4.1Å; L524-L526 HydrophobicContact CD2-CG 3.83Å; L526-R547 WeakPolarHBondContact CA-O 3.31Å; L526-E548 HydrophobicContact CD2-CB 3.96Å; L526-E548 HydrophobicContact CD2-CG 4.07Å; L526-S572 PolarHBondContact N-O 3.31Å; L526-V573 HydrophobicContact CB-CB 4.13Å; L526-V573 HydrophobicContact CB-CG2 4.01Å; L526-V573 CarbonylContact O-C 3.58Å; L526-V573 VanDerWaalsContact O-CA 3.25Å; L526-V573 WeakPolarHBondContact O-CA 3.45Å; L526-A574 PolarHBondContact O-N 2.83Å
527E96.1Very high85.8Confident37 Ų3750.1 Ų50.117%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-102.6117173.4-175.8178.910100109I546 R547 M549 I576E527-I546 WeakPolarHBondContact O-CA 3.47Å; E527-R547 HydrophobicContact CB-CB 4.4Å; E527-R547 PolarHBondContact N-O 3.49Å; E527-R547 PolarHBondContact O-N 3.03Å; E527-M549 HydrophobicContact CB-CE 3.47Å; E527-M549 VanDerWaalsContact CB-CE 3.47Å; E527-M549 HydrophobicContact CG-CE 4.26Å; E527-M549 WeakPolarHBondContact OE2-CE 3.2Å; E527-I576 HydrophobicContact CG-CD1 3.4Å; E527-I576 HydrophobicContact CG-CG1 4.15Å
528I97.2Very high86.6Confident0 Ų051.8 Ų51.80%028%0.28CS..EExtended strand (participates in β ladder)trans-114.5102.9-174.7-55-174.8000108.7L408 V449 I543 I546 V573 A574 F575 I576L408-I528 HydrophobicContact CD1-CD1 3.42Å; L408-I528 VanDerWaalsContact CD1-CD1 3.42Å; V449-I528 HydrophobicContact CG1-CD1 3.99Å; I528-I543 HydrophobicContact CG2-CD1 4.32Å; I528-I543 HydrophobicContact CG2-CG1 4.33Å; I528-I543 HydrophobicContact CG2-CG2 4.09Å; I528-I546 HydrophobicContact CG1-CG1 4.28Å; I528-I546 HydrophobicContact CG1-CG2 4.27Å; I528-I546 HydrophobicContact CG2-CG1 4.2Å; I528-V573 HydrophobicContact CD1-CG2 3.59Å; I528-V573 HydrophobicContact CG1-CG2 4.02Å; I528-A574 PolarHBondContact N-O 3.42Å; I528-F575 HydrophobicContact CB-CD1 3.95Å; I528-F575 HydrophobicContact CB-CE1 4.05Å; I528-F575 HydrophobicContact CD1-CE1 3.89Å; I528-F575 HydrophobicContact CD1-CZ 3.86Å; I528-F575 HydrophobicContact CG2-CD1 3.82Å; I528-F575 HydrophobicContact CG2-CE1 3.75Å; I528-F575 CarbonylContact O-C 3.54Å; I528-F575 WeakPolarHBondContact O-CA 3.18Å; I528-I576 PolarHBondContact O-N 2.86Å
529E96.4Very high87.2Confident41 Ų4151 Ų5119%0.19227%0.274CS..EExtended strand (participates in β ladder)trans-81.6125175.2-70.9179.2174.200109.6V544 S545 R547 I576 V578E529-V544 PolarHBondContact O-N 3.04Å; E529-S545 PolarHBondContact N-O 3.41Å; E529-S545 PolarHBondContact O-N 3.48Å; E529-S545 WeakPolarHBondContact OE2-CB 3.23Å; E529-R547 IonicContact OE1-NH2 3.91Å; E529-I576 WeakPolarHBondContact CA-O 3.48Å; E529-V578 HydrophobicContact CB-CG1 3.65Å; E529-V578 HydrophobicContact CG-CG1 3.7Å
530W95.3Very high87.8Confident46 Ų4650 Ų5017%0.17427%0.269CS..EExtended strand (participates in β ladder)trans-137.7159.5-177.974-82.8000112.4F451 K532 A541 Q542 I576 P577 V578F451-W530 HydrophobicContact CE2-CB 4.16Å; F451-W530 HydrophobicContact CE2-CD2 4.34Å; F451-W530 HydrophobicContact CE2-CG 4.16Å; F451-W530 HydrophobicContact CZ-CB 4.49Å; F451-W530 AromaticContact CZ-CD2 3.87Å; F451-W530 HydrophobicContact CZ-CD2 3.87Å; F451-W530 AromaticContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CG 4.19Å; F451-W530 HydrophobicContact CZ-CZ3 4.3Å; W530-K532 HydrophobicContact CZ3-CG 3.99Å; W530-A541 HydrophobicContact CE3-CB 4.3Å; W530-A541 HydrophobicContact CZ3-CB 4.31Å; W530-Q542 CarbonylContact C-O 3.59Å; W530-Q542 VanDerWaalsContact CA-O 3.27Å; W530-Q542 WeakPolarHBondContact CA-O 3.4Å; W530-Q542 WeakPolarHBondContact CB-O 3.4Å; W530-I576 PolarHBondContact N-O 3.39Å; W530-P577 HydrophobicContact CZ2-CB 4.19Å; W530-P577 WeakPolarHBondContact O-CA 3.23Å; W530-V578 WeakPolarHBondContact O-CG2 3.29Å; W530-V578 PolarHBondContact O-N 2.85Å
531T92.3Very high88.3Confident25 Ų2550.4 Ų50.415%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-143.3162.3-175.9-172.10000112A541 Q542 V544 S579T531-A541 WeakPolarHBondContact O-CA 3.18Å; T531-Q542 HydrophobicContact CG2-CB 4.18Å; T531-Q542 PolarHBondContact N-O 3.49Å; T531-Q542 PolarHBondContact O-N 3.18Å; T531-V544 HydrophobicContact CG2-CG2 3.49Å; T531-V544 VanDerWaalsContact CG2-CG2 3.49Å; T531-S579 VanDerWaalsContact OG1-CB 3.28Å; T531-S579 WeakPolarHBondContact OG1-CB 3.18Å; T531-S579 PolarHBondContact OG1-OG 2.89Å
532K88.3Confident88.6Confident127 Ų12752.3 Ų52.355%0.55228%0.282SS*.EExtended strand (participates in β ladder)trans-94.9107.4169.6-81.4-174.1-178.9-175.50109.6W530 P539 Q540W530-K532 HydrophobicContact CZ3-CG 3.99Å; K532-P539 HydrophobicContact CB-CB 3.79Å; K532-P539 HydrophobicContact CD-CB 3.95Å; K532-P539 HydrophobicContact CD-CG 4.03Å; K532-P539 HydrophobicContact CG-CB 4.07Å; K532-Q540 CarbonylContact C-O 3.57Å
533Y84.5Confident89Confident121 Ų12150.6 Ų50.648%0.47527%0.273SS..EExtended strand (participates in β ladder)trans-95146179.6-174.5-94.8000112.1F492 Q540F492-Y533 HydrophobicContact CE1-CD1 4.45Å; F492-Y533 AromaticContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CG 4.24Å; Y533-Q540 PolarHBondContact N-O 2.93Å; Y533-Q540 PolarHBondContact O-N 2.92Å
534G81.6Confident89.1Confident46 Ų4653.4 Ų53.447%0.47429%0.29SS..EExtended strand (participates in β ladder)trans100-155.3175.400000114.7
535S75.1Confident89.2Confident69 Ų6953.7 Ų53.748%0.48329%0.292SS..  trans-71.6152.5-174.8750000112.5V537 N538 P539S535-V537 PolarHBondContact O-N 2.87Å; S535-N538 CarbonylContact O-C 3.53Å; S535-N538 VanDerWaalsContact O-C 3.3Å; S535-N538 PolarHBondContact O-N 3.34Å; S535-N538 PolarHBondContact OG-N 3.3Å; S535-N538 VanDerWaalsContact OG-N 3.1Å; S535-P539 WeakPolarHBondContact O-CA 3.32Å; S535-P539 WeakPolarHBondContact O-CD 3.49Å; S535-P539 VanDerWaalsContact O-N 3.12Å
536L73.4Confident89.2Confident95 Ų9551.2 Ų51.250%0.49728%0.281SS..SBendtrans-60.6-31.7175.5-176.465.7000112.5A582 P584L536-A582 HydrophobicContact CD1-CB 3.35Å; L536-P584 HydrophobicContact CD2-CB 4.33Å; L536-P584 HydrophobicContact CD2-CG 4.08Å
537V78.3Confident89.2Confident142 Ų14256.4 Ų56.486%0.86130%0.3SS*.SBendtrans-77.6-28.1-177.5-174.90000111.9S535S535-V537 PolarHBondContact O-N 2.87Å
538N78.7Confident89.1Confident105 Ų10555.4 Ų55.456%0.56130%0.296SS*.SBendtrans-143.869.3179.4-17222000112.1S535 Q540S535-N538 CarbonylContact O-C 3.53Å; S535-N538 VanDerWaalsContact O-C 3.3Å; S535-N538 PolarHBondContact O-N 3.34Å; S535-N538 PolarHBondContact OG-N 3.3Å; S535-N538 VanDerWaalsContact OG-N 3.1Å; N538-Q540 VanDerWaalsContact CG-NE2 3.27Å; N538-Q540 PolarHBondContact ND2-NE2 3.44Å; N538-Q540 PolarHBondContact O-NE2 3.16Å; N538-Q540 PolarHBondContact OD1-NE2 3.28Å
539P84.9Confident88.8Confident50 Ų5058.2 Ų58.233%0.32531%0.309SS..EExtended strand (participates in β ladder)trans-72.4135.6179.427.4-32.3000111.7K532 S535K532-P539 HydrophobicContact CB-CB 3.79Å; K532-P539 HydrophobicContact CD-CB 3.95Å; K532-P539 HydrophobicContact CD-CG 4.03Å; K532-P539 HydrophobicContact CG-CB 4.07Å; S535-P539 WeakPolarHBondContact O-CA 3.32Å; S535-P539 WeakPolarHBondContact O-CD 3.49Å; S535-P539 VanDerWaalsContact O-N 3.12Å
540Q89.7Confident88.5Confident31 Ų3156.7 Ų56.715%0.14530%0.302CS..EExtended strand (participates in β ladder)trans-103.9127-178.6-57.5-57.2-48.700109.9P400 F492 K532 Y533 N538 Q542P400-Q540 VanDerWaalsContact CD-OE1 3.28Å; P400-Q540 HydrophobicContact CG-CB 4.4Å; P400-Q540 HydrophobicContact CG-CG 3.81Å; F492-Q540 HydrophobicContact CE1-CB 4.36Å; K532-Q540 CarbonylContact C-O 3.57Å; Y533-Q540 PolarHBondContact N-O 2.93Å; Y533-Q540 PolarHBondContact O-N 2.92Å; N538-Q540 VanDerWaalsContact CG-NE2 3.27Å; N538-Q540 PolarHBondContact ND2-NE2 3.44Å; N538-Q540 PolarHBondContact O-NE2 3.16Å; N538-Q540 PolarHBondContact OD1-NE2 3.28Å; Q540-Q542 PolarHBondContact O-N 3.03Å
541A91.9Very high88.1Confident13 Ų1360.8 Ų60.811%0.10732%0.323CS..EExtended strand (participates in β ladder)trans-70.8125.3177.600000111G401 Y402 F451 W530 T531G401-A541 CarbonylContact C-O 3.46Å; G401-A541 WeakPolarHBondContact CA-O 3.04Å; Y402-A541 PolarHBondContact N-O 2.59Å; Y402-A541 WeakPolarHBondContact O-CB 3.04Å; F451-A541 HydrophobicContact CE1-CB 3.69Å; F451-A541 HydrophobicContact CZ-CB 3.59Å; W530-A541 HydrophobicContact CE3-CB 4.3Å; W530-A541 HydrophobicContact CZ3-CB 4.31Å; T531-A541 WeakPolarHBondContact O-CA 3.18Å
542Q94.1Very high87.7Confident41 Ų4161.2 Ų61.219%0.19233%0.326CS..EExtended strand (participates in β ladder)trans-127.7133.6-178.1-172.9-174.414.700110S491 F492 W530 T531 Q540S491-Q542 CarbonylContact O-C 3.56Å; S491-Q542 VanDerWaalsContact O-CA 3.28Å; S491-Q542 WeakPolarHBondContact O-CA 3.4Å; S491-Q542 WeakPolarHBondContact O-CG 3.42Å; F492-Q542 HydrophobicContact CD1-CB 4.23Å; F492-Q542 HydrophobicContact CD1-CG 4.24Å; F492-Q542 HydrophobicContact CD2-CG 4.34Å; F492-Q542 HydrophobicContact CE1-CB 3.68Å; F492-Q542 HydrophobicContact CE1-CG 3.77Å; F492-Q542 HydrophobicContact CE2-CG 3.89Å; F492-Q542 VanDerWaalsContact CE2-NE2 3.32Å; F492-Q542 HydrophobicContact CZ-CB 3.93Å; F492-Q542 HydrophobicContact CZ-CG 3.58Å; W530-Q542 CarbonylContact C-O 3.59Å; W530-Q542 VanDerWaalsContact CA-O 3.27Å; W530-Q542 WeakPolarHBondContact CA-O 3.4Å; W530-Q542 WeakPolarHBondContact CB-O 3.4Å; T531-Q542 HydrophobicContact CG2-CB 4.18Å; T531-Q542 PolarHBondContact N-O 3.49Å; T531-Q542 PolarHBondContact O-N 3.18Å; Q540-Q542 PolarHBondContact O-N 3.03Å
543I95.8Very high87Confident1 Ų157.2 Ų57.21%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-81.4130170.8-63176.2000108.8Y402 L408 F451 V489 S491 I528 I546Y402-I543 HydrophobicContact CD2-CD1 4.07Å; Y402-I543 HydrophobicContact CD2-CG1 4.05Å; Y402-I543 HydrophobicContact CE1-CD1 4.49Å; Y402-I543 HydrophobicContact CE2-CD1 3.55Å; Y402-I543 HydrophobicContact CE2-CG1 3.84Å; L408-I543 HydrophobicContact CD1-CD1 4.23Å; L408-I543 HydrophobicContact CD2-CD1 3.62Å; F451-I543 HydrophobicContact CD2-CD1 4.48Å; F451-I543 HydrophobicContact CE2-CG1 4.29Å; V489-I543 HydrophobicContact CG1-CD1 3.98Å; S491-I543 PolarHBondContact O-N 2.86Å; I528-I543 HydrophobicContact CG2-CD1 4.32Å; I528-I543 HydrophobicContact CG2-CG1 4.33Å; I528-I543 HydrophobicContact CG2-CG2 4.09Å; I543-I546 HydrophobicContact CG2-CD1 4.07Å; I543-I546 HydrophobicContact CG2-CG1 3.84Å
544V94.1Very high85.6Confident69 Ų6959.5 Ų59.542%0.41833%0.326SS..EExtended strand (participates in β ladder)trans-101.3-43.8-176.6-178.60000111E529 T531 V578E529-V544 PolarHBondContact O-N 3.04Å; T531-V544 HydrophobicContact CG2-CG2 3.49Å; T531-V544 VanDerWaalsContact CG2-CG2 3.49Å; V544-V578 HydrophobicContact CG2-CG2 4.06Å
545S94.9Very high84.1Confident13 Ų1361.2 Ų61.29%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-154.6147.3-175.41690000110.3E529E529-S545 PolarHBondContact N-O 3.41Å; E529-S545 PolarHBondContact O-N 3.48Å; E529-S545 WeakPolarHBondContact OE2-CB 3.23Å
546I95.8Very high82.8Confident0 Ų062.2 Ų62.20%034%0.338CS..EExtended strand (participates in β ladder)trans-129.2130.6171.5-57.9-178.2000108.8V489 I506 K507 E527 I528 I543V489-I546 HydrophobicContact CB-CD1 3.4Å; V489-I546 HydrophobicContact CG1-CD1 3.62Å; V489-I546 HydrophobicContact CG2-CD1 3.39Å; I506-I546 HydrophobicContact CG1-CG2 4.3Å; I506-I546 HydrophobicContact CG2-CG2 4.18Å; K507-I546 PolarHBondContact N-O 2.98Å; K507-I546 VanDerWaalsContact N-O 3.12Å; E527-I546 WeakPolarHBondContact O-CA 3.47Å; I528-I546 HydrophobicContact CG1-CG1 4.28Å; I528-I546 HydrophobicContact CG1-CG2 4.27Å; I528-I546 HydrophobicContact CG2-CG1 4.2Å; I543-I546 HydrophobicContact CG2-CD1 4.07Å; I543-I546 HydrophobicContact CG2-CG1 3.84Å
547R94.7Very high81.6Confident112 Ų11260.3 Ų60.342%0.42333%0.328SS..EExtended strand (participates in β ladder)trans-122129.4175.6-62.2-179.8-173.3172.79.2110.1K507 L526 E527 E529K507-R547 CarbonylContact O-C 3.48Å; K507-R547 WeakPolarHBondContact O-CA 3.38Å; L526-R547 WeakPolarHBondContact CA-O 3.31Å; E527-R547 HydrophobicContact CB-CB 4.4Å; E527-R547 PolarHBondContact N-O 3.49Å; E527-R547 PolarHBondContact O-N 3.03Å; E529-R547 IonicContact OE1-NH2 3.91Å
548E93.6Very high80.1Confident17 Ų1757.1 Ų57.18%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-96.1117.6168.6-175.6-161.4-127.800108.3R481 I506 K507 S508 N509 L524 L526 I550R481-E548 WeakPolarHBondContact CG-OE1 3.35Å; R481-E548 IonicContact CZ-OE1 3.76Å; R481-E548 IonicContact CZ-OE2 3.46Å; R481-E548 IonicContact NE-OE1 2.9Å; R481-E548 PolarHBondContact NE-OE1 2.92Å; R481-E548 IonicContact NE-OE2 3.4Å; R481-E548 PolarHBondContact NE-OE2 3.39Å; R481-E548 IonicContact NH2-OE1 3.75Å; R481-E548 IonicContact NH2-OE2 2.72Å; R481-E548 PolarHBondContact NH2-OE2 3.47Å; I506-E548 HydrophobicContact CG2-CB 4.11Å; K507-E548 PolarHBondContact O-N 3.14Å; S508-E548 WeakPolarHBondContact CA-O 3.23Å; S508-E548 WeakPolarHBondContact CB-OE2 3.49Å; S508-E548 PolarHBondContact OG-OE2 2.87Å; N509-E548 PolarHBondContact N-O 3.3Å; N509-E548 VanDerWaalsContact N-O 3.14Å; N509-E548 PolarHBondContact OD1-O 3.37Å; L524-E548 HydrophobicContact CD1-CG 4.24Å; L524-E548 WeakPolarHBondContact CD1-OE1 3.36Å; L524-E548 HydrophobicContact CG-CG 4.16Å; L526-E548 HydrophobicContact CD2-CB 3.96Å; L526-E548 HydrophobicContact CD2-CG 4.07Å; E548-I550 HydrophobicContact CG-CG1 4.17Å
549M92.2Very high78.5Confident58 Ų5857.2 Ų57.229%0.28632%0.322SS..EExtended strand (participates in β ladder)trans-109.7112.9175.8-71178.9-88.400109.1H525 E527H525-M549 HydrophobicContact CB-CB 4.38Å; H525-M549 PolarHBondContact N-O 3.22Å; H525-M549 PolarHBondContact O-N 2.68Å; E527-M549 HydrophobicContact CB-CE 3.47Å; E527-M549 VanDerWaalsContact CB-CE 3.47Å; E527-M549 HydrophobicContact CG-CE 4.26Å; E527-M549 WeakPolarHBondContact OE2-CE 3.2Å
550I89.4Confident76.8Confident9 Ų957.8 Ų57.85%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-102.7122.9173.3-58.7178.7000108.4L477 N509 M510 P521 S523 E548 T552L477-I550 HydrophobicContact CD1-CD1 3.51Å; N509-I550 PolarHBondContact ND2-N 2.85Å; N509-I550 PolarHBondContact ND2-O 2.86Å; N509-I550 PolarHBondContact OD1-N 2.86Å; M510-I550 HydrophobicContact CB-CD1 4.26Å; M510-I550 HydrophobicContact SD-CB 4.31Å; M510-I550 HydrophobicContact SD-CD1 4.03Å; M510-I550 HydrophobicContact SD-CG2 3.95Å; P521-I550 HydrophobicContact CB-CG2 3.64Å; S523-I550 VanDerWaalsContact O-CA 3.31Å; S523-I550 WeakPolarHBondContact O-CA 3.39Å; E548-I550 HydrophobicContact CG-CG1 4.17Å; I550-T552 HydrophobicContact CG2-CG2 4.31Å
551E87Confident74.6Confident132 Ų13261.6 Ų61.662%0.61735%0.352SS*.EExtended strand (participates in β ladder)trans-97.1128.7172-55.1173.9145.900109.5L522 S523L522-E551 PolarHBondContact N-O 2.91Å; S523-E551 PolarHBondContact N-O 2.69Å; S523-E551 PolarHBondContact O-N 2.85Å; S523-E551 VanDerWaalsContact O-N 3.13Å; S523-E551 WeakPolarHBondContact OG-CB 3.35Å; S523-E551 VanDerWaalsContact OG-CD 3.25Å; S523-E551 WeakPolarHBondContact OG-CG 3.3Å; S523-E551 PolarHBondContact OG-OE2 3.39Å
552T83.1Confident72.4Confident34 Ų3464.8 Ų64.821%0.20939%0.387CS..EExtended strand (participates in β ladder)trans-111.3151.1177.5610000111.2M510 Q519 I520 P521 I550 Q554M510-T552 HydrophobicContact CE-CG2 3.92Å; Q519-T552 HydrophobicContact CB-CG2 4.11Å; I520-T552 VanDerWaalsContact O-CA 3.23Å; I520-T552 WeakPolarHBondContact O-CA 3.45Å; P521-T552 HydrophobicContact CB-CG2 4.49Å; I550-T552 HydrophobicContact CG2-CG2 4.31Å; T552-Q554 PolarHBondContact O-N 3.06Å
553N73.5Confident70.2Confident43 Ų4365.4 Ų65.423%0.2340%0.404CS..  trans-73108.6171.7-164.9-12000109.9I520 L522 S555I520-N553 PolarHBondContact O-N 3.31Å; L522-N553 HydrophobicContact CD1-CB 3.94Å; L522-N553 HydrophobicContact CG-CB 4.45Å; N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 WeakPolarHBondContact OD1-CB 3.5Å; N553-S555 PolarHBondContact OD1-N 3.13Å
554Q56.9Low68.3Low169 Ų16969.3 Ų69.379%0.7943%0.431SS*.  trans-83.6-7.8175.8-70.7-170.2-13.100113.5T552T552-Q554 PolarHBondContact O-N 3.06Å
555S48.1Very low67Low83 Ų8367.8 Ų67.858%0.5842%0.424SS*.SBendtrans-87124.3-177.8-51.70000109.1N553 L557N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 WeakPolarHBondContact OD1-CB 3.5Å; N553-S555 PolarHBondContact OD1-N 3.13Å; S555-L557 PolarHBondContact O-N 3.26Å; S555-L557 VanDerWaalsContact O-N 3.14Å
556S48.2Very low66.2Low90 Ų9072.2 Ų72.263%0.62945%0.445SS*.  trans-41124.1171.556.30000109.7A558 P559S556-A558 PolarHBondContact O-N 2.76Å; S556-P559 WeakPolarHBondContact O-CD 3.37Å
557L49.7Very low65.6Low55 Ų5573.4 Ų73.429%0.28845%0.452SS..SBendtrans-58.51.8179.4-76148.5000114.5L463 C518 I520 S555 P559 L560L463-L557 HydrophobicContact CD2-CD2 4.22Å; C518-L557 WeakPolarHBondContact SG-CD1 3.41Å; I520-L557 HydrophobicContact CD1-CD1 3.83Å; I520-L557 HydrophobicContact CD1-CD2 3.93Å; I520-L557 HydrophobicContact CD1-CG 4.4Å; S555-L557 PolarHBondContact O-N 3.26Å; S555-L557 VanDerWaalsContact O-N 3.14Å; L557-P559 VanDerWaalsContact C-CD 3.48Å; L557-L560 HydrophobicContact CD2-CD1 4.33Å; L557-L560 PolarHBondContact O-N 2.9Å
558A46.5Very low65.3Low74 Ų7471.3 Ų71.361%0.61245%0.454SS*.G310 helixtrans-65.4-28.7-175.100000116.9S556S556-A558 PolarHBondContact O-N 2.76Å
559P45Very low65.2Low107 Ų10770.6 Ų70.670%0.69545%0.45SS*.G310 helixtrans-89.20.5178.632.6-27.7000113.6S556 L557S556-P559 WeakPolarHBondContact O-CD 3.37Å; L557-P559 VanDerWaalsContact C-CD 3.48Å
560L48.6Very low65.2Low63 Ų6374.6 Ų74.633%0.3346%0.462SS..G310 helixtrans-91.6-1.2-179.9-64.7163.2000113.2L463 L557 G562L463-L560 HydrophobicContact CD1-CB 3.71Å; L463-L560 HydrophobicContact CD1-CD1 3.66Å; L463-L560 HydrophobicContact CD1-CD2 4.14Å; L463-L560 HydrophobicContact CD1-CG 4.02Å; L463-L560 HydrophobicContact CD2-CD1 4.4Å; L557-L560 HydrophobicContact CD2-CD1 4.33Å; L557-L560 PolarHBondContact O-N 2.9Å; L560-G562 PolarHBondContact O-N 2.98Å
561S44.5Very low65.4Low111 Ų11174.1 Ų74.178%0.77646%0.46SS*.THydrogen-bonded Turntrans-77.449.2-178.9-50.30000113.7
562G44.6Very low65.7Low80 Ų8068.7 Ų68.783%0.82544%0.436SS*.THydrogen-bonded Turntrans-149-4.8-178.800000116.8L560L560-G562 PolarHBondContact O-N 2.98Å
563G47.9Very low66.4Low54 Ų5467.4 Ų67.456%0.55743%0.428SS*.SBendtrans-166.2155.617600000111.5S565G563-S565 PolarHBondContact O-N 3.15Å
564S55.2Low67.5Low82 Ų8266.3 Ų66.357%0.57343%0.425SS*.  trans-60.488.3172.9-169.50000109E464E464-S564 WeakPolarHBondContact OE1-CB 3.4Å; E464-S564 PolarHBondContact OE1-OG 2.91Å
565S68.2Low69.4Low38 Ų3859 Ų5927%0.26639%0.391SS..  trans-101120.1-175.8158.60000107.7L463 G563L463-S565 WeakPolarHBondContact CB-O 3.1Å; L463-S565 WeakPolarHBondContact CD1-O 3.41Å; L463-S565 VanDerWaalsContact CD1-OG 3.25Å; L463-S565 WeakPolarHBondContact CD1-OG 3.18Å; L463-S565 WeakPolarHBondContact CG-O 3.38Å; L463-S565 PolarHBondContact N-O 3.04Å; G563-S565 PolarHBondContact O-N 3.15Å
566I78.6Confident71.6Confident106 Ų10658.1 Ų58.154%0.54438%0.379SS..EExtended strand (participates in β ladder)trans-98.7129.8179.2-62.1171.9000107.4T460 L461T460-I566 VanDerWaalsContact CB-CG2 3.47Å; T460-I566 HydrophobicContact CG2-CG2 4.03Å; L461-I566 WeakPolarHBondContact O-CA 3.21Å
567V83.1Confident73.7Confident24 Ų2457.8 Ų57.815%0.14538%0.375CS..EExtended strand (participates in β ladder)trans-108.4128-179.2-173.20000109.9T460 L461 L463 L522T460-V567 WeakPolarHBondContact CA-O 3.34Å; L461-V567 PolarHBondContact N-O 3.38Å; L461-V567 PolarHBondContact O-N 2.65Å; L463-V567 HydrophobicContact CD1-CG2 4.2Å; L463-V567 HydrophobicContact CD2-CG2 3.81Å; L463-V567 HydrophobicContact CG-CG2 3.97Å; L522-V567 HydrophobicContact CD1-CG1 3.91Å; L522-V567 HydrophobicContact CD2-CG1 3.57Å; L522-V567 HydrophobicContact CG-CG1 4.35Å
568P88Confident75.6Confident69 Ų6958.4 Ų58.445%0.44838%0.381SS..EExtended strand (participates in β ladder)trans-75.3131.2175.530.4-33.1000110.6
569V90.4Very high77.2Confident1 Ų157.4 Ų57.41%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-106.3129.5171.7178.70000108.6C439 G458 C459 L461 L476 L480 L522C439-V569 VanDerWaalsContact SG-CB 3.53Å; C439-V569 VanDerWaalsContact SG-CG2 3.59Å; G458-V569 CarbonylContact C-O 3.6Å; G458-V569 WeakPolarHBondContact CA-O 3.32Å; C459-V569 PolarHBondContact N-O 3.39Å; C459-V569 PolarHBondContact O-N 3.09Å; C459-V569 VanDerWaalsContact O-O 3.13Å; L461-V569 HydrophobicContact CB-CG2 4.07Å; L476-V569 HydrophobicContact CD2-CG1 4.48Å; L476-V569 HydrophobicContact CD2-CG2 4.14Å; L480-V569 HydrophobicContact CD1-CG1 4.3Å; L480-V569 HydrophobicContact CD2-CG1 3.75Å; L480-V569 HydrophobicContact CG-CG1 4.21Å; L522-V569 HydrophobicContact CD2-CG2 4.45Å; L522-V569 CarbonylContact O-C 3.48Å; L522-V569 WeakPolarHBondContact O-CA 3.44Å
570R91.9Very high78.4Confident142 Ų14256.7 Ų56.754%0.53637%0.373SS..EExtended strand (participates in β ladder)trans-119.1144.9-171.1-63-179.4-179.7169.2-0.3112.5S457 L522 S523 L524S457-R570 WeakPolarHBondContact O-CA 3.3Å; L522-R570 PolarHBondContact O-N 3.45Å; S523-R570 CarbonylContact C-O 3.53Å; S523-R570 VanDerWaalsContact CA-O 3.23Å; S523-R570 WeakPolarHBondContact CA-O 3.19Å; L524-R570 PolarHBondContact N-O 3.31Å
571S93.6Very high79.3Confident0 Ų058.1 Ų58.10%039%0.393CS..EExtended strand (participates in β ladder)trans-129.8129.4171.9-1680000107.9L430 M456 S457 L524L430-S571 VanDerWaalsContact CD2-OG 3.23Å; L430-S571 WeakPolarHBondContact CD2-OG 3.17Å; M456-S571 CarbonylContact C-O 3.54Å; M456-S571 WeakPolarHBondContact CA-O 3.12Å; S457-S571 PolarHBondContact N-O 3.39Å; S457-S571 PolarHBondContact O-N 3.5Å; S457-S571 VanDerWaalsContact O-O 3.12Å; S457-S571 PolarHBondContact OG-O 2.79Å; L524-S571 CarbonylContact O-C 3.56Å; L524-S571 VanDerWaalsContact O-CA 3.32Å; L524-S571 WeakPolarHBondContact O-CA 3.42Å
572S95.4Very high80.3Confident18 Ų1856.5 Ų56.513%0.12639%0.386CS..EExtended strand (participates in β ladder)trans-151.6158.7-175.153.30000113.2Y455 L524 H525 L526Y455-S572 CarbonylContact O-C 3.57Å; Y455-S572 WeakPolarHBondContact O-CA 3.17Å; Y455-S572 WeakPolarHBondContact O-CB 2.9Å; L524-S572 PolarHBondContact O-N 2.03Å; H525-S572 CarbonylContact C-O 3.57Å; H525-S572 WeakPolarHBondContact CA-O 3.31Å; H525-S572 PolarHBondContact ND1-OG 2.92Å; L526-S572 PolarHBondContact N-O 3.31Å
573V96.7Very high81.4Confident6 Ų658.4 Ų58.44%0.03638%0.382CS..EExtended strand (participates in β ladder)trans-136.7141.5173.159.50000110.4L430 V449 D454 Y455 L526 I528 F575L430-V573 HydrophobicContact CD1-CB 3.81Å; L430-V573 HydrophobicContact CD1-CG1 3.49Å; L430-V573 VanDerWaalsContact CD1-CG1 3.49Å; V449-V573 HydrophobicContact CG1-CB 4.48Å; V449-V573 HydrophobicContact CG1-CG1 4.33Å; V449-V573 HydrophobicContact CG1-CG2 3.91Å; D454-V573 WeakPolarHBondContact CA-O 3.34Å; Y455-V573 PolarHBondContact N-O 3.17Å; Y455-V573 VanDerWaalsContact N-O 3.15Å; Y455-V573 PolarHBondContact O-N 3.14Å; L526-V573 HydrophobicContact CB-CB 4.13Å; L526-V573 HydrophobicContact CB-CG2 4.01Å; L526-V573 CarbonylContact O-C 3.58Å; L526-V573 VanDerWaalsContact O-CA 3.25Å; L526-V573 WeakPolarHBondContact O-CA 3.45Å; I528-V573 HydrophobicContact CD1-CG2 3.59Å; I528-V573 HydrophobicContact CG1-CG2 4.02Å; V573-F575 HydrophobicContact CG2-CD2 4.36Å; V573-F575 HydrophobicContact CG2-CE2 3.91Å; V573-F575 HydrophobicContact CG2-CZ 4.39Å
574A96.4Very high82.2Confident21 Ų2161.1 Ų61.117%0.17439%0.39CS..EExtended strand (participates in β ladder)trans-130.8136.517200000111.3D454 L526 I528D454-A574 WeakPolarHBondContact OD1-CA 3.28Å; L526-A574 PolarHBondContact O-N 2.83Å; I528-A574 PolarHBondContact N-O 3.42Å
575F96.1Very high82.7Confident16 Ų1660.6 Ų60.67%0.0740%0.397CS..EExtended strand (participates in β ladder)trans-101.1108176.5-73.8-90.7000111.1L408 V449 L450 F451 Q453 D454 I528 V573L408-F575 HydrophobicContact CD1-CE1 4.39Å; L408-F575 HydrophobicContact CD1-CZ 4.27Å; V449-F575 HydrophobicContact CG1-CE2 4.29Å; V449-F575 HydrophobicContact CG1-CZ 3.91Å; L450-F575 WeakPolarHBondContact O-CE2 3.25Å; L450-F575 WeakPolarHBondContact O-CZ 3.11Å; F451-F575 HydrophobicContact CD2-CD1 4.15Å; F451-F575 AromaticContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CE2-CD1 4.25Å; F451-F575 HydrophobicContact CE2-CE1 4.23Å; F451-F575 HydrophobicContact CG-CE1 4.41Å; Q453-F575 WeakPolarHBondContact O-CE2 3.34Å; D454-F575 PolarHBondContact OD1-N 3.47Å; I528-F575 HydrophobicContact CB-CD1 3.95Å; I528-F575 HydrophobicContact CB-CE1 4.05Å; I528-F575 HydrophobicContact CD1-CE1 3.89Å; I528-F575 HydrophobicContact CD1-CZ 3.86Å; I528-F575 HydrophobicContact CG2-CD1 3.82Å; I528-F575 HydrophobicContact CG2-CE1 3.75Å; I528-F575 CarbonylContact O-C 3.54Å; I528-F575 WeakPolarHBondContact O-CA 3.18Å; V573-F575 HydrophobicContact CG2-CD2 4.36Å; V573-F575 HydrophobicContact CG2-CE2 3.91Å; V573-F575 HydrophobicContact CG2-CZ 4.39Å
576I95.1Very high82.4Confident63 Ų6370 Ų7032%0.32343%0.429SS..EExtended strand (participates in β ladder)trans-99.8116.7-176.4-54.8-175.2000110.3E527 I528 E529 W530 V578E527-I576 HydrophobicContact CG-CD1 3.4Å; E527-I576 HydrophobicContact CG-CG1 4.15Å; I528-I576 PolarHBondContact O-N 2.86Å; E529-I576 WeakPolarHBondContact CA-O 3.48Å; W530-I576 PolarHBondContact N-O 3.39Å; I576-V578 PolarHBondContact O-N 3.46Å
577P91.6Very high81.4Confident83 Ų8374.6 Ų74.654%0.53944%0.439SS..EExtended strand (participates in β ladder)trans-74.5119.2173.329.7-32.1000110.4W530W530-P577 HydrophobicContact CZ2-CB 4.19Å; W530-P577 WeakPolarHBondContact O-CA 3.23Å
578V89.9Confident80.5Confident68 Ų6878 Ų7841%0.41247%0.469SS..  trans-97.2-6.5-177.7-63.60000114.4E529 W530 V544 I576E529-V578 HydrophobicContact CB-CG1 3.65Å; E529-V578 HydrophobicContact CG-CG1 3.7Å; W530-V578 WeakPolarHBondContact O-CG2 3.29Å; W530-V578 PolarHBondContact O-N 2.85Å; V544-V578 HydrophobicContact CG2-CG2 4.06Å; I576-V578 PolarHBondContact O-N 3.46Å
579S79.9Confident79.6Confident53 Ų5379 Ų7937%0.37148%0.483SS..SBendtrans-91.1137.5175.352.50000112.4T531T531-S579 VanDerWaalsContact OG1-CB 3.28Å; T531-S579 WeakPolarHBondContact OG1-CB 3.18Å; T531-S579 PolarHBondContact OG1-OG 2.89Å
580A70.2Confident78.3Confident93 Ų9384.4 Ų84.477%0.76952%0.519SS*.PPolyproline II helixtrans-58.9154.9161.700000110.9A582A580-A582 PolarHBondContact O-N 3.33Å
581A68.9Low77.2Confident92 Ų9282.5 Ų82.576%0.7653%0.527SS*.PPolyproline II helixtrans-53.7131.317500000110.1V583A581-V583 PolarHBondContact O-N 3.5Å
582A65.2Low76.2Confident77 Ų7789.6 Ų89.664%0.63656%0.563SS**PPolyproline II helixtrans-69.9124.1-177.700000109.7L536 A580L536-A582 HydrophobicContact CD1-CB 3.35Å; A580-A582 PolarHBondContact O-N 3.33Å
583V66.3Low74.9Confident121 Ų12196.2 Ų96.273%0.73360%0.597SS**  trans-106.3141.5178.9-174.60000108.8A581 G585A581-V583 PolarHBondContact O-N 3.5Å; V583-G585 PolarHBondContact O-N 3.36Å
584P66.2Low74Confident110 Ų11098.8 Ų98.871%0.71462%0.62SS**SBendtrans-57.8125.5173.1-21.331.7000111.3L536L536-P584 HydrophobicContact CD2-CB 4.33Å; L536-P584 HydrophobicContact CD2-CG 4.08Å
585G65.9Low73.1Confident71 Ų71107.7 Ų107.773%0.73265%0.654SS**SBendtrans155.6174.4178.500000113.3V583V583-G585 PolarHBondContact O-N 3.36Å
586Y60.9Low72.5Confident237 Ų237111.1 Ų111.193%0.92967%0.673SS**PPolyproline II helixtrans-76.4144.5170.6-66-81000110A588Y586-A588 PolarHBondContact O-N 3.21Å
587R57.9Low72Confident202 Ų202112.1 Ų112.176%0.76268%0.684SS**PPolyproline II helixtrans-55.8137.1168.1-80.4-170.9178.4-165.50.3108.5A589R587-A589 PolarHBondContact O-N 3.12Å
588A63.8Low71.6Confident94 Ų94118 Ų11878%0.77770%0.701SS**PPolyproline II helixtrans-53.2133.4169.500000108.9Y586Y586-A588 PolarHBondContact O-N 3.21Å
589A69.1Low71.4Confident90 Ų90118.9 Ų118.974%0.74470%0.704SS**PPolyproline II helixtrans-55.8130.7175.100000108.4R587 S591R587-A589 PolarHBondContact O-N 3.12Å; A589-S591 PolarHBondContact O-N 1.98Å
590P63.7Low71.6Confident115 Ų115122 Ų12275%0.74771%0.711SS**PPolyproline II helixtrans-58.4131.5-179.523.3-32000109.1I592P590-I592 PolarHBondContact O-N 3.41Å
591S69.4Low72.3Confident102 Ų102123.5 Ų123.571%0.71370%0.7SS**  trans-68.7105.5174.857.30000108.8A589 N593A589-S591 PolarHBondContact O-N 1.98Å; S591-N593 PolarHBondContact O-N 3.05Å; S591-N593 VanDerWaalsContact O-N 3.07Å
592I71.3Confident72.6Confident149 Ų149127.3 Ų127.376%0.76470%0.7SS**  trans-75.497.1172.6-57.1175.4000107.4P590 A594P590-I592 PolarHBondContact O-N 3.41Å; I592-A594 HydrophobicContact CG2-CB 3.84Å; I592-A594 PolarHBondContact O-N 3.44Å
593N68.9Low73.3Confident157 Ų157127.9 Ų127.984%0.8470%0.697SS**  trans-76.766168.6-88.2-36.2000109.9S591S591-N593 PolarHBondContact O-N 3.05Å; S591-N593 VanDerWaalsContact O-N 3.07Å
594A77.3Confident73.5Confident61 Ų61130.9 Ų130.950%0.50470%0.7SS.*  trans-82.4117.8171.700000109.6I592 L596I592-A594 HydrophobicContact CG2-CB 3.84Å; I592-A594 PolarHBondContact O-N 3.44Å; A594-L596 HydrophobicContact CB-CD2 4.31Å; A594-L596 HydrophobicContact CB-CG 4.31Å; A594-L596 PolarHBondContact O-N 3.2Å
595K77.8Confident73.2Confident208 Ų208134.2 Ų134.290%0.90472%0.718SS**  trans-82.899.5163.5-73.8-175178.2-179.50107.9
596L83.1Confident73.5Confident88 Ų88137.4 Ų137.446%0.46172%0.718SS.*  trans-84.9144176.6-62.1172.4000110.2A594 F600A594-L596 HydrophobicContact CB-CD2 4.31Å; A594-L596 HydrophobicContact CB-CG 4.31Å; A594-L596 PolarHBondContact O-N 3.2Å; L596-F600 HydrophobicContact CB-CB 4.03Å; L596-F600 HydrophobicContact CB-CD2 4.44Å; L596-F600 HydrophobicContact CB-CG 4.11Å; L596-F600 HydrophobicContact CD1-CD1 3.68Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 3.84Å; L596-F600 HydrophobicContact CD1-CG 3.99Å; L596-F600 HydrophobicContact CD1-CZ 4.29Å; L596-F600 HydrophobicContact CD2-CD1 4.5Å; L596-F600 HydrophobicContact CD2-CD2 3.8Å; L596-F600 HydrophobicContact CD2-CE2 3.81Å; L596-F600 HydrophobicContact CD2-CG 4.15Å; L596-F600 HydrophobicContact CD2-CZ 4.17Å; L596-F600 HydrophobicContact CG-CD1 4.47Å; L596-F600 HydrophobicContact CG-CD2 4.44Å; L596-F600 HydrophobicContact CG-CG 4.3Å
597P84.8Confident74.2Confident84 Ų84132.1 Ų132.155%0.54571%0.706SS.*  trans-55.3156.3168.7-24.234.7000112.1D599 F600P597-D599 VanDerWaalsContact CB-OD1 3.28Å; P597-D599 WeakPolarHBondContact CB-OD1 3.01Å; P597-D599 PolarHBondContact O-N 3.25Å; P597-D599 VanDerWaalsContact O-N 3.1Å; P597-F600 WeakPolarHBondContact O-CB 3.43Å; P597-F600 PolarHBondContact O-N 3.18Å
598F84.1Confident75.1Confident207 Ų207128.2 Ų128.291%0.90870%0.703SS**THydrogen-bonded Turntrans-63.6-19-17474.6-88.9000114.1
599D84.5Confident75.7Confident86 Ų86130.2 Ų130.246%0.4670%0.699SS.*THydrogen-bonded Turntrans-1087.7-174.860.7-22.3000113.5P597 F601 F602P597-D599 VanDerWaalsContact CB-OD1 3.28Å; P597-D599 WeakPolarHBondContact CB-OD1 3.01Å; P597-D599 PolarHBondContact O-N 3.25Å; P597-D599 VanDerWaalsContact O-N 3.1Å; D599-F601 PolarHBondContact O-N 3.01Å; D599-F602 WeakPolarHBondContact O-CB 3.45Å; D599-F602 PolarHBondContact O-N 3.41Å
600F84.9Confident76.2Confident118 Ų118132.8 Ų132.852%0.51870%0.696SS.*THydrogen-bonded Turntrans-53.7-30.4-174.9-179.1-94.8000114.2L596 P597L596-F600 HydrophobicContact CB-CB 4.03Å; L596-F600 HydrophobicContact CB-CD2 4.44Å; L596-F600 HydrophobicContact CB-CG 4.11Å; L596-F600 HydrophobicContact CD1-CD1 3.68Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 3.84Å; L596-F600 HydrophobicContact CD1-CG 3.99Å; L596-F600 HydrophobicContact CD1-CZ 4.29Å; L596-F600 HydrophobicContact CD2-CD1 4.5Å; L596-F600 HydrophobicContact CD2-CD2 3.8Å; L596-F600 HydrophobicContact CD2-CE2 3.81Å; L596-F600 HydrophobicContact CD2-CG 4.15Å; L596-F600 HydrophobicContact CD2-CZ 4.17Å; L596-F600 HydrophobicContact CG-CD1 4.47Å; L596-F600 HydrophobicContact CG-CD2 4.44Å; L596-F600 HydrophobicContact CG-CG 4.3Å; P597-F600 WeakPolarHBondContact O-CB 3.43Å; P597-F600 PolarHBondContact O-N 3.18Å
601F84Confident77Confident125 Ų125133.9 Ų133.955%0.54869%0.693SS.*THydrogen-bonded Turntrans-103.410.2178.4-65.7-73.9000114.5D599 F604 V605D599-F601 PolarHBondContact O-N 3.01Å; F601-F604 WeakPolarHBondContact O-CA 2.91Å; F601-F604 PolarHBondContact O-N 3.24Å; F601-V605 HydrophobicContact CB-CG2 3.26Å; F601-V605 HydrophobicContact CG-CG2 4.14Å
602F75.9Confident77.5Confident171 Ų171136.2 Ų136.275%0.7569%0.691SS**THydrogen-bonded Turntrans-75132177.8-172.3-93.5000111.3D599D599-F602 WeakPolarHBondContact O-CB 3.45Å; D599-F602 PolarHBondContact O-N 3.41Å
603P79.1Confident78Confident89 Ų89135.2 Ų135.258%0.57869%0.686SS**THydrogen-bonded Turncis-102.629.4-0.740.7-34.4000113.5V605P603-V605 PolarHBondContact O-N 2.68Å
604F71.3Confident78.8Confident184 Ų184133.4 Ų133.481%0.80767%0.673SS**  trans-88.911.6-168.6-60.1-74.2000115.2F601F601-F604 WeakPolarHBondContact O-CA 2.91Å; F601-F604 PolarHBondContact O-N 3.24Å
605V58.6Low78.9Confident180 Ų180140 Ų140100%1.09169%0.688SS**  trans-119.10173.1-146.40000111.2F601 P603F601-V605 HydrophobicContact CB-CG2 3.26Å; F601-V605 HydrophobicContact CG-CG2 4.14Å; P603-V605 PolarHBondContact O-N 2.68Å

Retrieved 605 of 605 residues in 553.7 ms (Link to these results)