A0A096M1H2_POEFO Loading...

Protein phosphatase 1 regulatory subunit 3B-like

AlphaFold DB , UniProt , Accession A0A096M1H2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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
1M44.8Very low38.2Very low252 Ų252150.1 Ų150.1100%1.24180%0.796SS**  0109.80-70.4174.2109.600107.3
2S33.9Very low38.2Very low109 Ų109147.5 Ų147.576%0.76279%0.789SS**  trans-95.8140.8-175.4-170.80000108.8
3S33.6Very low38.4Very low114 Ų114144 Ų14480%0.79779%0.794SS**  trans-154.4101.4146.8-158.80000110.6
4L33.8Very low38.8Very low138 Ų138147.1 Ų147.172%0.72380%0.795SS**  trans-60.8148.4157-77.4140.2000110.4V6L4-V6 HydrophobicContact CD2-CG2 4.42Å
5R43.3Very low39.4Very low244 Ų244145.2 Ų145.292%0.92179%0.793SS**  trans-132.2125.4150-75.5-168.5-175.8-1792.4108.7
6V33.3Very low39.5Very low107 Ų107146.6 Ų146.665%0.64880%0.8SS**  trans-130.2158.1173.8-175.40000107.2L4L4-V6 HydrophobicContact CD2-CG2 4.42Å
7L33.1Very low39.5Very low145 Ų145149.8 Ų149.876%0.75980%0.804SS**  trans93.3136.7162.1-44.6167.3000114.6
8H37.2Very low39.7Very low165 Ų165151.4 Ų151.476%0.76481%0.812SS**  cis-165.9169.8-10-118.569.6000106.9
9P47.2Very low39.4Very low91 Ų91149.1 Ų149.159%0.59181%0.808SS**  trans-99167.9-172.138.2-30000114.2
10H32.9Very low39.1Very low167 Ų167148.3 Ų148.377%0.77381%0.808SS**  trans150.2162.5143.6-85.5-54.3000112.6
11P47.5Very low38.9Very low119 Ų119148.3 Ų148.377%0.77381%0.807SS**  cis-129.1163.75.127.7-5.4000117
12V38.2Very low38.9Very low119 Ų119141.7 Ų141.772%0.72178%0.783SS**  trans-70.2133.9161.71670000109.7K14V12-K14 HydrophobicContact CG1-CG 4.5Å
13A39.9Very low38.8Very low102 Ų102140 Ų14084%0.84378%0.783SS**  trans-107.1126.9160.400000109.3
14K44.5Very low38.9Very low188 Ų188143.9 Ų143.982%0.81779%0.788SS**PPolyproline II helixtrans-88.5164.9174.2-91.5-175.8-178.1177.70110.7V12V12-K14 HydrophobicContact CG1-CG 4.5Å
15P48Very low39.1Very low118 Ų118146 Ų14677%0.76679%0.794SS**PPolyproline II helixtrans-89.3137.9-167.534.6-31000112.2
16D40.9Very low38.9Very low167 Ų167143.2 Ų143.289%0.89379%0.792SS**PPolyproline II helixtrans-85.8125.3167.5-86.2-30.9000111
17K40Very low39.6Very low201 Ų201143.5 Ų143.587%0.87480%0.795SS**PPolyproline II helixtrans-82.6125160.6-74.7-177.2174.3-177.10108
18L42.2Very low39.8Very low180 Ų180143.7 Ų143.794%0.94280%0.797SS**  trans-134.3137.7150.6-87.5169.8000110.3
19S35Very low40Very low106 Ų106144 Ų14474%0.74180%0.798SS**  trans-102.4165-170.4173.90000110.2
20V32.8Very low39.8Very low133 Ų133148.5 Ų148.581%0.80681%0.811SS**  trans101.1107.3155.4-1710000117.8
21N35.2Very low40.6Very low149 Ų149145.8 Ų145.880%0.79781%0.808SS**  trans-48.4-172.1157.3-101.4-32000115.2
22P44.7Very low40.4Very low114 Ų114146 Ų14674%0.7481%0.809SS**  cis-133.6168-44.136-19.1000112.6
23G31.1Very low40.5Very low72 Ų72148 Ų14874%0.74282%0.815SS**  trans92.4109.3147.700000118
24Q35.4Very low40.6Very low197 Ų197151.4 Ų151.492%0.92182%0.815SS**  -167.3145128-110.8172.7-2400111.3
25H39.2Very low40.6Very low182 Ų182146 Ų14684%0.84381%0.806SS**  trans-66.3144.9-172.3-67.1-116.1000113
26Q39.1Very low40.4Very low186 Ų186146.3 Ų146.387%0.86981%0.808SS**  -164.8141122.1-106.3-176.912.400111.6
27P47.5Very low40.4Very low112 Ų112146.2 Ų146.273%0.72781%0.806SS**  trans-101.2135.6-178.236.2-26.3000110.8
28L37.3Very low40.3Very low150 Ų150146.2 Ų146.279%0.78581%0.806SS**  trans-161.3146.9161-105.4144.2000110
29H41.5Very low39.9Very low172 Ų172143.9 Ų143.980%0.79680%0.799SS**  trans92.173.6-176.4-51.6-64.5000116.4
30Q41.8Very low39.8Very low185 Ų185144.4 Ų144.486%0.86480%0.798SS**PPolyproline II helixtrans-63.4137.8146.8-68.9175.7-17.900109.8
31P51.5Low40Very low109 Ų109145.1 Ų145.171%0.70879%0.793SS**PPolyproline II helixtrans-76.2149.1163.530.5-30.8000110.5I33P31-I33 PolarHBondContact O-N 2.97Å
32P43.6Very low39.8Very low123 Ų123148.2 Ų148.280%0.79979%0.793SS**PPolyproline II helixtrans-68.2127.3-175.227.3-31.8000111.1M34P32-M34 PolarHBondContact O-N 3.05Å
33I39.7Very low39.2Very low163 Ų163151.3 Ų151.384%0.83680%0.795SS**  trans-64108.9168-65.3168.4000107.4P31 A35P31-I33 PolarHBondContact O-N 2.97Å; I33-A35 PolarHBondContact O-N 3.03Å
34M42.1Very low39.4Very low172 Ų172157.6 Ų157.685%0.84780%0.798SS**PPolyproline II helixtrans-68.9119.7165.1-74-17366.800108.6P32P32-M34 PolarHBondContact O-N 3.05Å
35A44.1Very low40.1Very low76 Ų76153.3 Ų153.363%0.62879%0.787SS**PPolyproline II helixtrans-59144.117300000110.9I33 L37I33-A35 PolarHBondContact O-N 3.03Å; A35-L37 PolarHBondContact O-N 2.85Å
36P44.7Very low40.2Very low123 Ų123150.3 Ų150.380%0.79978%0.784SS**PPolyproline II helixtrans-66.9123.917326.5-30.9000109.4K38P36-K38 PolarHBondContact O-N 3.16Å; P36-K38 VanDerWaalsContact O-N 3.16Å
37L39.2Very low40.1Very low165 Ų165149 Ų14986%0.86478%0.783SS**PPolyproline II helixtrans-58.5117.4169.7-72.4165.4000108.7A35 V39A35-L37 PolarHBondContact O-N 2.85Å; L37-V39 PolarHBondContact O-N 3.03Å; L37-V39 VanDerWaalsContact O-N 3.1Å
38K39.1Very low39.5Very low201 Ų201150.3 Ų150.387%0.87478%0.784SS**  trans-57.9112169.1-80.4-177.5174.1179.60108.7P36 T40P36-K38 PolarHBondContact O-N 3.16Å; P36-K38 VanDerWaalsContact O-N 3.16Å; K38-T40 PolarHBondContact O-N 2.84Å; K38-T40 VanDerWaalsContact O-N 3.13Å
39V32.6Very low39.4Very low131 Ų131153.6 Ų153.679%0.79479%0.787SS**  trans-71.1102.6164.2173.70000107.4L37 Q41L37-V39 PolarHBondContact O-N 3.03Å; L37-V39 VanDerWaalsContact O-N 3.1Å; V39-Q41 PolarHBondContact O-N 3.04Å; V39-Q41 VanDerWaalsContact O-N 3.1Å
40T33.3Very low39.6Very low118 Ų118151 Ų15172%0.72479%0.785SS**  trans-69.6100.2167.7-55.60000108.3K38 R42K38-T40 PolarHBondContact O-N 2.84Å; K38-T40 VanDerWaalsContact O-N 3.13Å; T40-R42 PolarHBondContact O-N 2.87Å
41Q37.5Very low39.2Very low147 Ų147153.7 Ų153.769%0.68779%0.788SS**  trans-62.6103.4164.3-78.8-179.1-20.900108.5V39 F43V39-Q41 PolarHBondContact O-N 3.04Å; V39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-F43 HydrophobicContact CB-CE2 4.38Å; Q41-F43 PolarHBondContact O-N 3.02Å
42R30.9Very low38.5Very low214 Ų214160.2 Ų160.281%0.80880%0.798SS**  trans-76.2105.3161-74.3-158-175.7-173.73.5107.8T40 Y44T40-R42 PolarHBondContact O-N 2.87Å; R42-Y44 PolarHBondContact O-N 2.79Å
43F32Very low38.1Very low179 Ų179158.1 Ų158.179%0.78579%0.791SS**PPolyproline II helixtrans-60.9117.8164-75.9-94.4000108.9Q41Q41-F43 HydrophobicContact CB-CE2 4.38Å; Q41-F43 PolarHBondContact O-N 3.02Å
44Y35.4Very low37.9Very low205 Ų205154.4 Ų154.480%0.80478%0.78SS**PPolyproline II helixtrans-86.2132.4160.8-76.7-86.2000108.2R42R42-Y44 PolarHBondContact O-N 2.79Å
45P49.5Very low37.9Very low106 Ų106155 Ų15569%0.68879%0.785SS**PPolyproline II helixtrans-73.5149.7175.229.6-31.7000110.8
46P41.5Very low37.6Very low119 Ų119160.7 Ų160.777%0.77379%0.791SS**PPolyproline II helixtrans-71128.3171-9.325.6000109.9D48P46-D48 PolarHBondContact O-N 3.23Å
47N37.8Very low37.1Very low158 Ų158162.4 Ų162.485%0.84579%0.786SS**  trans-74.8107.7168.3-101.5-15.6000109.5
48D35.5Very low37Very low140 Ų140159.5 Ų159.575%0.74979%0.786SS**  trans-63.8134.3156.3-81-48.2000110.5P46P46-D48 PolarHBondContact O-N 3.23Å
49Y35.1Very low36.9Very low219 Ų219157.4 Ų157.486%0.85978%0.779SS**  trans-175.4154.1148.8-85.3-48.2000109.5
50P43.9Very low37.1Very low117 Ų117158.6 Ų158.676%0.7678%0.78SS**  -110.6150.7-98.722-3.4000115.2R52P50-R52 PolarHBondContact O-N 3.2Å
51R34Very low37.3Very low242 Ų242157.8 Ų157.891%0.91378%0.779SS**  trans-54.1110.4162.4-168.2-175.6-160.9-163.56.4111.3
52R38.1Very low37.1Very low247 Ų247156.4 Ų156.493%0.93279%0.786SS**  trans-85.4112.5163-173.7173-82.9-171.3-4.4109.1P50P50-R52 PolarHBondContact O-N 3.2Å
53A35.1Very low37.6Very low79 Ų79151.6 Ų151.665%0.65379%0.785SS**  trans-84.3142.7175.500000111.8
54S35.3Very low38.6Very low84 Ų84148.6 Ų148.659%0.58778%0.783SS**  trans72.2109.6134-157.80000119.5
55L42.2Very low39.3Very low185 Ų185144.2 Ų144.297%0.96978%0.78SS**  -132141.7116.5-79.5178.5000109.8
56R37.4Very low38.8Very low196 Ų196144 Ų14474%0.7478%0.781SS**  trans-104.4161.3-166.3-69172.2160.3-171.1-0.6111.6
57F34.8Very low38.9Very low158 Ų158142.5 Ų142.569%0.69377%0.773SS**  trans69.3113148.8-69.2-63000120.1
58A36.6Very low39.2Very low105 Ų105145.6 Ų145.687%0.86878%0.775SS**  -151.9123.810800000109.9
59H37.3Very low39.8Very low157 Ų157145.1 Ų145.173%0.72778%0.777SS**  trans-86.2162.3166.4-83.4-99.9000110.2
60L36.5Very low40.7Very low155 Ų155140.3 Ų140.381%0.81277%0.772SS**  trans116.3103.1146.9-63169.1000116.7
61S36.4Very low40.9Very low101 Ų101141.2 Ų141.271%0.70678%0.776SS**  65.8120.3120.8-57.30000120
62S35Very low41.9Very low119 Ų119134.1 Ų134.183%0.83276%0.763SS**  157.5123.899.450.80000111.9
63S40.8Very low42.5Very low113 Ų113128.6 Ų128.679%0.7976%0.759SS**  trans-77.8173.4150.7-45.30000108.4
64P51.7Low43.2Very low115 Ų115135.9 Ų135.975%0.74777%0.77SS**  cis-146.2-142.815.341-16.5000112.1
65P50.6Low43.9Very low113 Ų113136.2 Ų136.273%0.73477%0.772SS**  -121.6177-51.329-9.5000114.2
66S39.4Very low44.2Very low102 Ų102133.4 Ų133.471%0.71377%0.767SS**  trans77.1122.9142.7-158.10000122.5
67S44.4Very low44.6Very low87 Ų87133.1 Ų133.161%0.60877%0.771SS**  trans56.7110143.359.60000119
68Y42.5Very low45.6Very low223 Ų223136.9 Ų136.988%0.87578%0.781SS**  178124.2109.8-97.2-78.2000108.5
69V49.3Very low46.4Very low131 Ų131142 Ų14279%0.79478%0.783SS**  trans-78.6135.5169.5176.40000108.2
70P52.9Low46.8Very low117 Ų117144.7 Ų144.776%0.7679%0.789SS**  trans-127129.5134911.9000112.3S72P70-S72 PolarHBondContact O-N 3.05Å
71T48.9Very low47.5Very low137 Ų137141.7 Ų141.784%0.8478%0.78SS**  trans-54.3109.5163.417.20000112.2
72S53.9Low48.2Very low92 Ų92146.6 Ų146.664%0.64379%0.789SS**  179.3138.6128.781.60000110.2P70 R74P70-S72 PolarHBondContact O-N 3.05Å; S72-R74 PolarHBondContact O-N 3.13Å
73P51.8Low49.1Very low131 Ų131145 Ų14585%0.85178%0.778SS**  trans-74.1112.2172.227.9-29.4000110.1S75P73-S75 PolarHBondContact O-N 3.21Å; P73-S75 VanDerWaalsContact O-N 3.1Å
74R49.3Very low50.2Low232 Ų232144.4 Ų144.488%0.87578%0.78SS**  trans-68.5105171.3-70.8-175.3177.7-173.8-0.1109.6S72 C76S72-R74 PolarHBondContact O-N 3.13Å; R74-C76 PolarHBondContact O-N 3.44Å
75S50.2Low50.5Low91 Ų91145.9 Ų145.964%0.63678%0.777SS**  trans-61.5114.4167.1171.40000110.4P73 F77P73-S75 PolarHBondContact O-N 3.21Å; P73-S75 VanDerWaalsContact O-N 3.1Å; S75-F77 PolarHBondContact O-N 2.84Å; S75-F77 VanDerWaalsContact OG-CD2 3.22Å; S75-F77 WeakPolarHBondContact OG-CD2 3.48Å
76C47.9Very low51.5Low127 Ų127149.7 Ų149.786%0.85878%0.782SS**  trans-87.532.9174.637.40000113.2R74 R78R74-C76 PolarHBondContact O-N 3.44Å; C76-R78 PolarHBondContact O-N 3.19Å
77F47.3Very low53.1Low190 Ų190154.5 Ų154.583%0.83379%0.79SS**  trans-79.390.2168.2-68.2-63.1000110.3S75 K79S75-F77 PolarHBondContact O-N 2.84Å; S75-F77 VanDerWaalsContact OG-CD2 3.22Å; S75-F77 WeakPolarHBondContact OG-CD2 3.48Å; F77-K79 PolarHBondContact O-N 3.1Å; F77-K79 VanDerWaalsContact O-N 3.08Å
78R55.6Low54.4Low236 Ų236160.2 Ų160.289%0.89180%0.798SS**  trans-60.1107.1159.6-79.4-119-123.2-132.20.7108.8C76 Y80C76-R78 PolarHBondContact O-N 3.19Å; R78-Y80 PolarHBondContact O-N 3.11Å
79K52.5Low56.1Low212 Ų212155.6 Ų155.692%0.92279%0.793SS**  trans-68.4106.8157.6-88178.4173.6175.80107.7F77F77-K79 PolarHBondContact O-N 3.1Å; F77-K79 VanDerWaalsContact O-N 3.08Å
80Y46.9Very low57.4Low215 Ų215154.7 Ų154.784%0.84378%0.782SS**  trans-123.1127.9159.6-141.4-95.3000108.5R78R78-Y80 PolarHBondContact O-N 3.11Å
81S49.8Very low58.8Low91 Ų91156.5 Ų156.564%0.63678%0.779SS**  trans-71.9140.6-171.633.50000113.6
82F51.3Low60.7Low204 Ų204152.6 Ų152.690%0.89576%0.76SS**  trans33.895.5148.7-63.5-85.3000119.7
83S55.2Low62Low86 Ų86151.5 Ų151.560%0.60175%0.747SS**  -119132.1121.871.80000107.1H85S83-H85 PolarHBondContact O-N 2.03Å; S83-H85 PolarHBondContact OG-ND1 2.92Å
84A62Low63.4Low100 Ų100155 Ų15583%0.82675%0.752SS**  trans-74.452.6-172.500000112.4K86A84-K86 PolarHBondContact O-N 3.36Å
85H59.8Low64.9Low146 Ų146149.3 Ų149.368%0.67674%0.743SS**  trans-87.297.9173.1-61.521.9000105.9S83 K87S83-H85 PolarHBondContact O-N 2.03Å; S83-H85 PolarHBondContact OG-ND1 2.92Å; H85-K87 VanDerWaalsContact C-N 3.29Å; H85-K87 PolarHBondContact O-N 3.49Å
86K70Confident66.1Low194 Ų194147.9 Ų147.984%0.84374%0.743SS**  trans-57.897.6171.7-70.9-179.8179.2177.30107.4A84 R88A84-K86 PolarHBondContact O-N 3.36Å; K86-R88 PolarHBondContact O-N 2.8Å
87K74.7Confident67.5Low202 Ų202150.5 Ų150.588%0.87873%0.734SS**  trans-64.3108.7170.5-68.5-173.8179.4-177.90106.2H85H85-K87 VanDerWaalsContact C-N 3.29Å; H85-K87 PolarHBondContact O-N 3.49Å
88R71.5Confident69Low208 Ų208144.3 Ų144.379%0.78572%0.718SS**  trans-96123174.5-67.2-172.7-64172.71.6107.4K86K86-R88 PolarHBondContact O-N 2.8Å
89V77.8Confident70.1Confident126 Ų126138.9 Ų138.976%0.76471%0.706SS**  trans-86.6125.8166.6179.80000106.3
90I77.3Confident71.1Confident112 Ų112134.4 Ų134.457%0.57470%0.697SS**  trans-117.8131.7171.4-57.8174.6000105.7A98I90-A98 HydrophobicContact CG2-CB 3.82Å
91F81.9Confident72.3Confident155 Ų155130.2 Ų130.268%0.6869%0.694SS**  trans-77.7128.8172.6-65.5-84.4000108.7L99F91-L99 HydrophobicContact CB-CD1 3.55Å; F91-L99 HydrophobicContact CB-CG 4.22Å; F91-L99 PolarHBondContact O-N 2.78Å
92A88.3Confident73.3Confident55 Ų55133.4 Ų133.446%0.45570%0.698SS.*BIsolated β-bridgetrans-123.4157.5178.600000110.9R97A92-R97 CarbonylContact C-O 3.59Å; A92-R97 WeakPolarHBondContact CA-O 3.45Å; A92-R97 VanDerWaalsContact CB-O 3.31Å; A92-R97 WeakPolarHBondContact CB-O 3.29Å
93D81.1Confident74Confident68 Ų68131 Ų13136%0.36469%0.69SS.*  trans-73.2178.8171.966.313.5000112.3V95 G96 R97D93-V95 VanDerWaalsContact CG-CG2 3.48Å; D93-V95 PolarHBondContact O-N 3.43Å; D93-V95 VanDerWaalsContact OD1-C 3.29Å; D93-V95 WeakPolarHBondContact OD1-CA 2.92Å; D93-V95 WeakPolarHBondContact OD1-CG2 3.31Å; D93-V95 PolarHBondContact OD1-N 2.83Å; D93-V95 WeakPolarHBondContact OD2-CG2 3.36Å; D93-G96 PolarHBondContact O-N 3.28Å; D93-G96 PolarHBondContact OD1-N 2.86Å; D93-R97 PolarHBondContact N-O 3.08Å; D93-R97 PolarHBondContact OD1-N 2.7Å
94E81.4Confident74.7Confident206 Ų206132.3 Ų132.396%0.96369%0.693SS**THydrogen-bonded Turntrans-62.2-13.9-179.9-62.2-179.2175.200113.6
95V81.1Confident74.3Confident112 Ų112136.6 Ų136.668%0.67969%0.694SS**THydrogen-bonded Turntrans-107.87.9177.2-60.40000113D93 R97D93-V95 VanDerWaalsContact CG-CG2 3.48Å; D93-V95 PolarHBondContact O-N 3.43Å; D93-V95 VanDerWaalsContact OD1-C 3.29Å; D93-V95 WeakPolarHBondContact OD1-CA 2.92Å; D93-V95 WeakPolarHBondContact OD1-CG2 3.31Å; D93-V95 PolarHBondContact OD1-N 2.83Å; D93-V95 WeakPolarHBondContact OD2-CG2 3.36Å; V95-R97 HydrophobicContact CG2-CG 4.19Å
96G75.3Confident74.6Confident61 Ų61135.6 Ų135.663%0.62970%0.698SS**SBendtrans84.716.8172.100000115.8D93D93-G96 PolarHBondContact O-N 3.28Å; D93-G96 PolarHBondContact OD1-N 2.86Å
97R76.8Confident74.2Confident182 Ų182132.9 Ų132.969%0.68770%0.698SS**PPolyproline II helixtrans-93.5139.2176.8-60.1177.3176.2-154.2-0.8111.2A92 D93 V95 L99A92-R97 CarbonylContact C-O 3.59Å; A92-R97 WeakPolarHBondContact CA-O 3.45Å; A92-R97 VanDerWaalsContact CB-O 3.31Å; A92-R97 WeakPolarHBondContact CB-O 3.29Å; D93-R97 PolarHBondContact N-O 3.08Å; D93-R97 PolarHBondContact OD1-N 2.7Å; V95-R97 HydrophobicContact CG2-CG 4.19Å; R97-L99 PolarHBondContact O-N 2.8Å
98A79.4Confident73.5Confident60 Ų60130.8 Ų130.850%0.49669%0.692SS.*BIsolated β-bridgetrans-60.2134.8178.700000111.3I90 T100I90-A98 HydrophobicContact CG2-CB 3.82Å; A98-T100 PolarHBondContact O-N 3.2Å
99L78.4Confident73.3Confident121 Ų121125.8 Ų125.863%0.63469%0.686SS**PPolyproline II helixtrans-62.7116175.8-70.9175.2000110.5F91 R97F91-L99 HydrophobicContact CB-CD1 3.55Å; F91-L99 HydrophobicContact CB-CG 4.22Å; F91-L99 PolarHBondContact O-N 2.78Å; R97-L99 PolarHBondContact O-N 2.8Å
100T74.6Confident72.3Confident118 Ų118125.9 Ų125.972%0.72469%0.689SS**  trans-106.9134.9172.549.20000109.9A98A98-T100 PolarHBondContact O-N 3.2Å
101V71.4Confident71.6Confident128 Ų128124.7 Ų124.778%0.77669%0.691SS**  trans-95.1113.5175-178.80000108.4
102E70Confident70.7Confident158 Ų158122.7 Ų122.774%0.73869%0.693SS**  trans-100.2125.7171.6-68-173.417100109.8V104E102-V104 PolarHBondContact O-N 2.82Å
103H65.9Low69.1Low154 Ų154125.7 Ų125.771%0.71371%0.708SS**  trans-87.7103.4170.6-71.8157.6000109.2F105H103-F105 HydrophobicContact CB-CE2 4.1Å
104V69.4Low67.5Low112 Ų112128.3 Ų128.368%0.67973%0.729SS**  trans-90109.6172.7-176.80000108.3E102 T106E102-V104 PolarHBondContact O-N 2.82Å; V104-T106 PolarHBondContact O-N 2.9Å
105F54.8Low66.2Low190 Ų190122.4 Ų122.483%0.83372%0.715SS**  trans-85.1100169.8-65.8-83.6000108.7H103H103-F105 HydrophobicContact CB-CE2 4.1Å
106T65.1Low64.4Low125 Ų125123.1 Ų123.177%0.76772%0.722SS**PPolyproline II helixtrans-89.1118.2171-2.70000109.3V104 E108V104-T106 PolarHBondContact O-N 2.9Å; T106-E108 PolarHBondContact O-N 3.01Å
107T63Low62.8Low138 Ų138123.8 Ų123.885%0.84772%0.722SS**PPolyproline II helixtrans-66.4118167.2-45.20000108.3
108E59.9Low61.4Low158 Ų158118.8 Ų118.874%0.73871%0.711SS**PPolyproline II helixtrans-57.6133.8179.2-167.5-172.616000110.8T106T106-E108 PolarHBondContact O-N 3.01Å
109P65.9Low60Low103 Ų103122.4 Ų122.467%0.66972%0.722SS**PPolyproline II helixtrans-66.8144.7168.828.1-32000109.9S111P109-S111 PolarHBondContact O-N 3.38Å
110P58.1Low58.9Low128 Ų128121.7 Ų121.783%0.83173%0.725SS**PPolyproline II helixtrans-57.2128-175.622.1-31.9000111
111S62.6Low58.3Low87 Ų87117.1 Ų117.161%0.60870%0.698SS**PPolyproline II helixtrans-49.1139.9177.8580000111.6P109P109-S111 PolarHBondContact O-N 3.38Å
112P62Low57.5Low113 Ų113115.4 Ų115.473%0.73469%0.689SS**PPolyproline II helixtrans-56.7145.2168.825.2-32.3000109.7
113P55.5Low56.7Low117 Ų117118.7 Ų118.776%0.7670%0.695SS**PPolyproline II helixtrans-57140.6-17722.9-32.4000110.1A115P113-A115 PolarHBondContact O-N 2.8Å
114P47.8Very low55.9Low123 Ų123116.7 Ų116.780%0.79970%0.696SS**PPolyproline II helixtrans-56.3130.7179.321.4-30.7000109.6
115A53.3Low54.7Low83 Ų83116.8 Ų116.869%0.68670%0.702SS**PPolyproline II helixtrans-48.7142.8167.500000109P113 A117P113-A115 PolarHBondContact O-N 2.8Å; A115-A117 PolarHBondContact O-N 2.71Å
116P43.1Very low54.2Low127 Ų127117.6 Ų117.683%0.82571%0.708SS**PPolyproline II helixtrans-51.9118.5-172.819.7-31.4000109.2T118P116-T118 PolarHBondContact O-N 3.33Å
117A42.3Very low53Low74 Ų74114.2 Ų114.261%0.61270%0.697SS**PPolyproline II helixtrans-47.7131.9179.800000108.7A115 N119A115-A117 PolarHBondContact O-N 2.71Å; A117-N119 VanDerWaalsContact C-N 3.26Å; A117-N119 PolarHBondContact O-N 2.81Å
118T47.8Very low51.9Low77 Ų77115.9 Ų115.947%0.47270%0.696SS.*  trans-58.2102.8162-61.40000105.1P116 P120P116-T118 PolarHBondContact O-N 3.33Å; T118-P120 WeakPolarHBondContact O-CD 3.42Å
119N49Very low51Low136 Ų136117.9 Ų117.973%0.72771%0.705SS**PPolyproline II helixtrans-52.8118.9-178.2-74.4-55.8000107.2A117A117-N119 VanDerWaalsContact C-N 3.26Å; A117-N119 PolarHBondContact O-N 2.81Å
120P55.3Low49.4Very low106 Ų106119.6 Ų119.669%0.68871%0.709SS**PPolyproline II helixtrans-57.1148.1177.722.6-31.5000108.5T118T118-P120 WeakPolarHBondContact O-CD 3.42Å
121C61.4Low48.8Very low22 Ų22119.5 Ų119.515%0.14971%0.708CS.*PPolyproline II helixtrans-55.2130.8-179-1340000110.3R123 C230C121-R123 VanDerWaalsContact C-N 3.32Å; C121-R123 PolarHBondContact O-N 3.42Å; C121-C230 WeakPolarHBondContact CA-SG 3.38Å; C121-C230 HydrophobicContact CB-CB 4.39Å; C121-C230 WeakPolarHBondContact CB-SG 2.97Å; C121-C230 VanDerWaalsContact SG-CA 3.57Å; C121-C230 WeakPolarHBondContact SG-CB 2.87Å; C121-C230 CovalentContact SG-SG 2.03Å; C121-C230 PolarHBondContact SG-SG 2.83Å
122P55.5Low47.9Very low93 Ų93121.5 Ų121.560%0.60472%0.717SS**  trans-59.3100.9171.8-1930000107.8
123R52.3Low46.6Very low226 Ų226122.8 Ų122.885%0.85372%0.718SS**  trans-67.2127.6170.9-75.1-175-85.7154.3-6.4106.6C121 S125C121-R123 VanDerWaalsContact C-N 3.32Å; C121-R123 PolarHBondContact O-N 3.42Å; R123-S125 PolarHBondContact O-N 3.42Å
124P50.3Low46Very low113 Ų113128.9 Ų128.973%0.73473%0.725SS**  trans-58116.3167.9-16.429.1000107.2E126P124-E126 PolarHBondContact O-N 3.17Å; P124-E126 VanDerWaalsContact O-N 3.16Å
125S43.4Very low45.6Very low114 Ų114129.8 Ų129.880%0.79772%0.723SS**  trans-63.2115.2173.834.10000108.8R123 G127R123-S125 PolarHBondContact O-N 3.42Å; S125-G127 PolarHBondContact O-N 2.8Å
126E44.9Very low45.2Very low207 Ų207129 Ų12997%0.96772%0.723SS**  trans-6778.5165-69.5-174138.800108.7P124P124-E126 PolarHBondContact O-N 3.17Å; P124-E126 VanDerWaalsContact O-N 3.16Å
127G39.8Very low45.5Very low53 Ų53127.8 Ų127.855%0.54672%0.718SS.*  trans-122110.2176.700000110S125S125-G127 PolarHBondContact O-N 2.8Å
128Q39.7Very low46.3Very low173 Ų173132.1 Ų132.181%0.80873%0.73SS**  trans43.599.7171.1-89.6110.2-2300117.6N130Q128-N130 PolarHBondContact O-N 2.81Å
129Q40.2Very low47.3Very low201 Ų201132 Ų13294%0.93973%0.729SS**  trans-63.4102.7156.1-68-177.7-5.800109.8
130N34.2Very low48.5Very low139 Ų139126.6 Ų126.674%0.74370%0.701SS**  trans-87.7128.1156.6-79-37.5000108.2Q128 T132Q128-N130 PolarHBondContact O-N 2.81Å; N130-T132 PolarHBondContact O-N 2.97Å
131P44.4Very low49.9Very low125 Ų125128.4 Ų128.481%0.81270%0.698SS**SBendtrans-8540-169.336.2-36.5000113.3
132T43.6Very low51.2Low130 Ų130128.3 Ų128.380%0.79870%0.695SS**  trans-150.862.7179.1-35.10000112.7N130N130-T132 PolarHBondContact O-N 2.97Å
133N35.3Very low52.9Low140 Ų140126.3 Ų126.375%0.74968%0.676SS**  trans-156.196.8149.8-139.9-21.8000111N135N133-N135 PolarHBondContact O-N 3.28Å
134R42.8Very low54.9Low245 Ų245116.9 Ų116.993%0.92564%0.642SS**  trans-80.259.2176-71-175.6173.7-164.7-0.7111.3
135N39.9Very low56.8Low142 Ų142111.8 Ų111.876%0.75961%0.61SS**  trans-110.489.7159.1-80.62000106.9N133 S137N133-N135 PolarHBondContact O-N 3.28Å; N135-S137 PolarHBondContact O-N 3.37Å
136G44.1Very low59.1Low66 Ų66106.6 Ų106.668%0.6857%0.573SS**  trans-56.2110.1-179.700000110.4L138G136-L138 PolarHBondContact O-N 2.85Å
137S48.8Very low61.1Low101 Ų10198.7 Ų98.771%0.70654%0.54SS*.  trans-61.992.8163.5-175.30000107.1N135 T139N135-S137 PolarHBondContact O-N 3.37Å; S137-T139 PolarHBondContact O-N 2.75Å
138L60.8Low63.4Low166 Ų16699.4 Ų99.487%0.86953%0.529SS*.  trans-73.975.7175.4-72.9167.2000107.8G136 P140G136-L138 PolarHBondContact O-N 2.85Å; L138-P140 WeakPolarHBondContact O-CD 3.12Å
139T67.6Low65.2Low75 Ų7591.6 Ų91.646%0.4649%0.493SS..PPolyproline II helixtrans-57.3122.7169.651.10000108S137 K141S137-T139 PolarHBondContact O-N 2.75Å; T139-K141 PolarHBondContact O-N 2.78Å
140P74.9Confident66.6Low21 Ų2183.1 Ų83.114%0.13646%0.457CS..PPolyproline II helixtrans-60.9126.3-179.523.3-31.2000108.7L138 F142 N175 Q233 R269L138-P140 WeakPolarHBondContact O-CD 3.12Å; P140-F142 HydrophobicContact CB-CE2 4.01Å; P140-F142 HydrophobicContact CB-CZ 3.93Å; P140-F142 HydrophobicContact CG-CE2 3.74Å; P140-F142 HydrophobicContact CG-CZ 3.84Å; P140-F142 WeakPolarHBondContact O-CD2 3.32Å; P140-N175 PolarHBondContact O-ND2 2.79Å; P140-N175 VanDerWaalsContact O-ND2 3.13Å; P140-Q233 WeakPolarHBondContact CD-O 3.5Å; P140-Q233 VanDerWaalsContact CG-O 3.31Å; P140-Q233 WeakPolarHBondContact CG-O 3.45Å; P140-R269 HydrophobicContact CB-CG 4.5Å
141K85.2Confident68.3Low145 Ų14585.4 Ų85.463%0.6346%0.46SS*.PPolyproline II helixtrans-79.9136.7171.9-67.3-175.1179.5-176.20109T139 E270T139-K141 PolarHBondContact O-N 2.78Å; K141-E270 HydrophobicContact CB-CB 3.96Å; K141-E270 HydrophobicContact CB-CG 4.1Å; K141-E270 VanDerWaalsContact CB-OE2 3.29Å; K141-E270 WeakPolarHBondContact CB-OE2 3.26Å; K141-E270 WeakPolarHBondContact CD-OE2 3.22Å; K141-E270 PolarHBondContact O-N 2.63Å
142F88.4Confident70Confident19 Ų1983.4 Ų83.48%0.08344%0.443CS..EExtended strand (participates in β ladder)trans-123.9147.4-178.4-66.5-73.6000110.6P140 I172 L231 I241 V267 L268 R269P140-F142 HydrophobicContact CB-CE2 4.01Å; P140-F142 HydrophobicContact CB-CZ 3.93Å; P140-F142 HydrophobicContact CG-CE2 3.74Å; P140-F142 HydrophobicContact CG-CZ 3.84Å; P140-F142 WeakPolarHBondContact O-CD2 3.32Å; F142-I172 HydrophobicContact CB-CD1 3.82Å; F142-I172 HydrophobicContact CB-CG2 4.5Å; F142-L231 HydrophobicContact CB-CD1 3.72Å; F142-L231 HydrophobicContact CD2-CB 3.93Å; F142-L231 HydrophobicContact CD2-CD1 3.52Å; F142-L231 HydrophobicContact CD2-CG 4.35Å; F142-L231 HydrophobicContact CE2-CB 3.8Å; F142-L231 HydrophobicContact CE2-CD1 4.26Å; F142-L231 HydrophobicContact CG-CD1 3.73Å; F142-L231 HydrophobicContact CZ-CB 4.49Å; F142-I241 HydrophobicContact CD1-CD1 4.06Å; F142-I241 HydrophobicContact CE1-CD1 3.51Å; F142-I241 HydrophobicContact CZ-CD1 3.97Å; F142-V267 HydrophobicContact CB-CG1 3.73Å; F142-V267 HydrophobicContact CD1-CG1 3.86Å; F142-V267 HydrophobicContact CG-CG1 4.04Å; F142-L268 CarbonylContact C-O 3.6Å; F142-L268 WeakPolarHBondContact CA-O 3.35Å; F142-R269 HydrophobicContact CD1-CB 4.42Å; F142-R269 HydrophobicContact CE1-CB 4.36Å
143R91.3Very high71.9Confident52 Ų5279.9 Ų79.920%0.19642%0.423CS..EExtended strand (participates in β ladder)trans-134.7158.2173.566.1178.8-179.2138-2.9111L268 E270R143-L268 HydrophobicContact CG-CB 4.1Å; R143-L268 PolarHBondContact N-O 3.1Å; R143-L268 PolarHBondContact O-N 3.22Å; R143-E270 HydrophobicContact CB-CG 4.26Å; R143-E270 HydrophobicContact CG-CG 4.11Å
144L93.1Very high74.3Confident28 Ų2878 Ų7815%0.14741%0.413CS..EExtended strand (participates in β ladder)trans-70.8131174-55.3178.9000110F146 C170 I172 L177L144-F146 HydrophobicContact CB-CD1 4.35Å; L144-F146 HydrophobicContact CB-CE1 4.13Å; L144-F146 HydrophobicContact CB-CZ 4.23Å; L144-F146 HydrophobicContact CD1-CE2 4.3Å; L144-F146 HydrophobicContact CD1-CZ 4.23Å; L144-F146 HydrophobicContact CD2-CE1 3.98Å; L144-F146 HydrophobicContact CD2-CZ 3.77Å; L144-F146 HydrophobicContact CG-CZ 4.29Å; L144-F146 PolarHBondContact O-N 3.44Å; L144-C170 HydrophobicContact CD1-CB 4.26Å; L144-C170 WeakPolarHBondContact CD1-O 3.35Å; L144-I172 HydrophobicContact CD2-CD1 3.87Å; L144-I172 HydrophobicContact CD2-CG1 3.9Å; L144-I172 HydrophobicContact CG-CD1 4.45Å; L144-L177 HydrophobicContact CD2-CD1 3.75Å
145G91.6Very high76.3Confident5 Ų566.7 Ų66.75%0.05237%0.373CS..SBendtrans-86.616.6174.800000113.9K266 F284G145-K266 WeakPolarHBondContact CA-O 3.39Å; G145-K266 PolarHBondContact N-O 3.34Å; G145-F284 VanDerWaalsContact O-CZ 3.3Å; G145-F284 WeakPolarHBondContact O-CZ 3.29Å
146F89.9Confident78.5Confident6 Ų660.6 Ų60.63%0.02634%0.34CS..SBendtrans-148.2152.6-17557.1-87.4000110L144 M167 C170 F243 Y265 K266 F284L144-F146 HydrophobicContact CB-CD1 4.35Å; L144-F146 HydrophobicContact CB-CE1 4.13Å; L144-F146 HydrophobicContact CB-CZ 4.23Å; L144-F146 HydrophobicContact CD1-CE2 4.3Å; L144-F146 HydrophobicContact CD1-CZ 4.23Å; L144-F146 HydrophobicContact CD2-CE1 3.98Å; L144-F146 HydrophobicContact CD2-CZ 3.77Å; L144-F146 HydrophobicContact CG-CZ 4.29Å; L144-F146 PolarHBondContact O-N 3.44Å; F146-M167 HydrophobicContact CD2-CE 4.14Å; F146-M167 HydrophobicContact CE2-CE 3.28Å; F146-M167 HydrophobicContact CZ-CE 3.67Å; F146-C170 HydrophobicContact CE2-CB 4.11Å; F146-C170 HydrophobicContact CZ-CB 4.02Å; F146-F243 HydrophobicContact CE1-CE1 4.02Å; F146-F243 AromaticContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CZ-CE1 4.31Å; F146-F243 AromaticContact CZ-CZ 3.8Å; F146-F243 HydrophobicContact CZ-CZ 3.8Å; F146-Y265 HydrophobicContact CD1-CD1 4.13Å; F146-Y265 AromaticContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CE1 4.3Å; F146-Y265 HydrophobicContact CE1-CD1 4.16Å; F146-Y265 HydrophobicContact CE1-CG 4.41Å; F146-Y265 AromaticContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CE1 4.44Å; F146-Y265 AromaticContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CZ-CD1 4.04Å; F146-Y265 HydrophobicContact CZ-CG 4.42Å; F146-K266 VanDerWaalsContact CD1-O 3.25Å; F146-K266 WeakPolarHBondContact CD1-O 3.32Å; F146-K266 VanDerWaalsContact CE1-O 3.31Å; F146-K266 WeakPolarHBondContact CE1-O 3.44Å; F146-F284 HydrophobicContact CB-CD1 3.5Å; F146-F284 VanDerWaalsContact CB-CD1 3.5Å; F146-F284 HydrophobicContact CB-CE1 3.49Å; F146-F284 VanDerWaalsContact CB-CE1 3.49Å; F146-F284 HydrophobicContact CB-CG 4.19Å; F146-F284 HydrophobicContact CB-CZ 4.16Å
147P88.7Confident80.7Confident41 Ų4158.3 Ų58.327%0.26631%0.312SS..  trans-71.6159.6170.732.7-35.3000111.1F284P147-F284 HydrophobicContact CG-CB 3.51Å; P147-F284 HydrophobicContact CG-CG 4.34Å
148Q88Confident82.5Confident68 Ų6854.5 Ų54.532%0.31829%0.286SS..  trans-56.8123.6174.9-67.7-60.4-39.900110.6A150 K151 C170Q148-A150 PolarHBondContact O-N 2.85Å; Q148-K151 HydrophobicContact CB-CG 4.13Å; Q148-C170 PolarHBondContact NE2-O 2.88Å; Q148-C170 PolarHBondContact OE1-O 2.79Å
149P75.9Confident83.8Confident9 Ų946.9 Ų46.96%0.05825%0.247CC..THydrogen-bonded Turntrans-69.9-31-166.425.7-36.3000114.3M167 Y265 Y285P149-M167 WeakPolarHBondContact CB-O 3.44Å; P149-M167 HydrophobicContact CG-CB 4.03Å; P149-M167 HydrophobicContact CG-CE 3.65Å; P149-M167 HydrophobicContact CG-CG 4.05Å; P149-M167 WeakPolarHBondContact CG-O 3.18Å; P149-Y265 HydrophobicContact CB-CE1 4.38Å; P149-Y285 HydrophobicContact CB-CD2 4.47Å; P149-Y285 HydrophobicContact CB-CE2 3.73Å
150A70.5Confident84.9Confident22 Ų2243.3 Ų43.318%0.18223%0.225CC..THydrogen-bonded Turntrans-129.666-174.700000112.7Q148 L156 K168Q148-A150 PolarHBondContact O-N 2.85Å; A150-L156 HydrophobicContact CB-CB 4.17Å; A150-L156 HydrophobicContact CB-CD1 3.92Å; A150-L156 HydrophobicContact CB-CD2 4.35Å; A150-L156 HydrophobicContact CB-CG 4.36Å; A150-K168 HydrophobicContact CB-CG 4.37Å; A150-K168 WeakPolarHBondContact CB-O 3.3Å; A150-K168 PolarHBondContact N-O 2.88Å
151K69.2Low85.5Confident188 Ų18846.5 Ų46.582%0.81724%0.238SC*.SBendtrans-76.7-26.5168.4-74.5-169.5177.1-172.70113.2Q148Q148-K151 HydrophobicContact CB-CG 4.13Å
152D80.4Confident85.6Confident83 Ų8343.3 Ų43.344%0.44423%0.225SC..SBendtrans-104.8123-178.7-179-6.4000109.6D154 A155 L156D152-D154 PolarHBondContact OD1-N 2.98Å; D152-A155 HydrophobicContact CB-CB 3.84Å; D152-L156 PolarHBondContact O-N 2.75Å; D152-L156 VanDerWaalsContact O-N 3.14Å
153S83.4Confident85.5Confident55 Ų5544.1 Ų44.139%0.38523%0.229SC..Hα-helixtrans-64.7-38-179.1520000112.4A155 L156 I157S153-A155 VanDerWaalsContact C-N 3.34Å; S153-L156 WeakPolarHBondContact O-CB 3.34Å; S153-L156 PolarHBondContact O-N 3.03Å; S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.44Å; S153-I157 PolarHBondContact O-N 3.04Å
154D86.2Confident85.5Confident100 Ų10041.8 Ų41.854%0.53522%0.221SC..Hα-helixtrans-71.1-38.1-176.3-68-22.7000110.8D152 L156 I157 A158 N218D152-D154 PolarHBondContact OD1-N 2.98Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; D154-I157 PolarHBondContact O-N 2.9Å; D154-A158 PolarHBondContact O-N 3.4Å; D154-N218 PolarHBondContact OD1-ND2 3.04Å
155A84.3Confident85.5Confident9 Ų940.5 Ų40.57%0.07421%0.214CC..Hα-helixtrans-64.8-38.3175.100000112.5D152 S153 C159 L288D152-A155 HydrophobicContact CB-CB 3.84Å; S153-A155 VanDerWaalsContact C-N 3.34Å; A155-C159 WeakPolarHBondContact O-CB 3.21Å; A155-C159 PolarHBondContact O-N 2.7Å; A155-C159 VanDerWaalsContact O-N 3.07Å; A155-L288 HydrophobicContact CB-CB 3.88Å; A155-L288 HydrophobicContact CB-CD1 3.78Å; A155-L288 HydrophobicContact CB-CD2 4.07Å; A155-L288 HydrophobicContact CB-CG 4.1Å
156L87.3Confident85.7Confident14 Ų1440.4 Ų40.47%0.07321%0.212CC..Hα-helixtrans-61.9-45.5171.8177.363.3000111A150 D152 S153 D154 C159 L160 Q166 C182A150-L156 HydrophobicContact CB-CB 4.17Å; A150-L156 HydrophobicContact CB-CD1 3.92Å; A150-L156 HydrophobicContact CB-CD2 4.35Å; A150-L156 HydrophobicContact CB-CG 4.36Å; D152-L156 PolarHBondContact O-N 2.75Å; D152-L156 VanDerWaalsContact O-N 3.14Å; S153-L156 WeakPolarHBondContact O-CB 3.34Å; S153-L156 PolarHBondContact O-N 3.03Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; L156-C159 PolarHBondContact O-N 3.1Å; L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.73Å; L156-Q166 HydrophobicContact CD1-CB 4.02Å; L156-Q166 HydrophobicContact CD1-CG 3.72Å; L156-C182 HydrophobicContact CD1-CB 4.29Å
157I88.6Confident85.9Confident18 Ų1840.1 Ų40.19%0.09221%0.211CC..Hα-helixtrans-62-49178.6-67.2-62.4000111.3S153 D154 C159 L160 Q161 V217 N218 L220S153-I157 VanDerWaalsContact O-CG1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.44Å; S153-I157 PolarHBondContact O-N 3.04Å; D154-I157 PolarHBondContact O-N 2.9Å; I157-C159 VanDerWaalsContact C-N 3.28Å; I157-C159 PolarHBondContact O-N 3.14Å; I157-L160 PolarHBondContact O-N 2.7Å; I157-Q161 HydrophobicContact CG2-CG 4.32Å; I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 WeakPolarHBondContact O-CG 3.27Å; I157-Q161 PolarHBondContact O-N 2.88Å; I157-V217 HydrophobicContact CD1-CB 3.85Å; I157-V217 HydrophobicContact CD1-CG1 3.75Å; I157-V217 VanDerWaalsContact CD1-O 3.26Å; I157-V217 WeakPolarHBondContact CD1-O 3.47Å; I157-V217 HydrophobicContact CG1-CG1 4.12Å; I157-N218 HydrophobicContact CG1-CB 4.31Å; I157-L220 HydrophobicContact CD1-CB 3.71Å; I157-L220 HydrophobicContact CD1-CD2 3.67Å; I157-L220 HydrophobicContact CD1-CG 4.33Å; I157-L220 HydrophobicContact CG2-CD2 4.4Å
158A87.3Confident86.2Confident20 Ų2040.8 Ų40.817%0.16521%0.209CC..Hα-helixtrans-57.6-43.2178.300000111.5D154 Q161 E162 Y291D154-A158 PolarHBondContact O-N 3.4Å; A158-Q161 PolarHBondContact O-N 3.18Å; A158-E162 PolarHBondContact O-N 3.07Å; A158-Y291 HydrophobicContact CB-CD1 4.22Å
159C88.2Confident86.5Confident6 Ų639.4 Ų39.44%0.04121%0.207CC..Hα-helixtrans-68-41.7178-165.40000112.4A155 L156 I157 Q161 E162 K163 Q166A155-C159 WeakPolarHBondContact O-CB 3.21Å; A155-C159 PolarHBondContact O-N 2.7Å; A155-C159 VanDerWaalsContact O-N 3.07Å; L156-C159 PolarHBondContact O-N 3.1Å; I157-C159 VanDerWaalsContact C-N 3.28Å; I157-C159 PolarHBondContact O-N 3.14Å; C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 2.8Å; C159-E162 PolarHBondContact O-N 2.89Å; C159-K163 PolarHBondContact O-N 3.42Å; C159-Q166 HydrophobicContact CB-CG 4.24Å; C159-Q166 PolarHBondContact SG-OE1 2.87Å
160L90.1Very high87.4Confident0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-64.2-34.5175.7-71.8172.7000111.9L156 I157 E162 C164 Q166 C182 L220 V222L156-L160 HydrophobicContact CD1-CD1 3.99Å; L156-L160 HydrophobicContact CD1-CG 4.14Å; L156-L160 HydrophobicContact CG-CD1 3.91Å; L156-L160 HydrophobicContact CG-CG 4.44Å; L156-L160 WeakPolarHBondContact O-CB 3.34Å; L156-L160 VanDerWaalsContact O-CG 3.27Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.73Å; I157-L160 PolarHBondContact O-N 2.7Å; L160-E162 PolarHBondContact O-N 2.95Å; L160-C164 WeakPolarHBondContact O-CA 3.48Å; L160-C164 PolarHBondContact O-N 3.44Å; L160-Q166 HydrophobicContact CD2-CB 3.97Å; L160-Q166 HydrophobicContact CG-CB 4.39Å; L160-C182 HydrophobicContact CD1-CB 3.97Å; L160-C182 HydrophobicContact CD2-CB 4.06Å; L160-C182 WeakPolarHBondContact CD2-O 3.47Å; L160-L220 HydrophobicContact CB-CD2 4.05Å; L160-L220 HydrophobicContact CD1-CD2 4.4Å; L160-V222 HydrophobicContact CD1-CG1 3.91Å; L160-V222 HydrophobicContact CD1-CG2 3.82Å
161Q88.1Confident88.6Confident89 Ų8940.7 Ų40.742%0.41622%0.215SC..Hα-helixtrans-72.3-10.6173.1-73.8179.8-27.400114.3I157 A158 C159 L220 F299I157-Q161 HydrophobicContact CG2-CG 4.32Å; I157-Q161 WeakPolarHBondContact O-CB 3.46Å; I157-Q161 WeakPolarHBondContact O-CG 3.27Å; I157-Q161 PolarHBondContact O-N 2.88Å; A158-Q161 PolarHBondContact O-N 3.18Å; C159-Q161 VanDerWaalsContact C-N 3.27Å; C159-Q161 PolarHBondContact O-N 2.8Å; Q161-L220 HydrophobicContact CG-CD1 4.25Å; Q161-L220 HydrophobicContact CG-CD2 4.41Å; Q161-F299 VanDerWaalsContact CA-CE2 3.48Å; Q161-F299 VanDerWaalsContact CA-CZ 3.47Å; Q161-F299 HydrophobicContact CB-CE2 4.45Å; Q161-F299 HydrophobicContact CB-CZ 4.26Å; Q161-F299 HydrophobicContact CG-CZ 4.41Å; Q161-F299 WeakPolarHBondContact O-CD2 3.49Å; Q161-F299 WeakPolarHBondContact O-CE2 3.32Å
162E86.6Confident89.7Confident78 Ų7834 Ų3436%0.36419%0.188SC..Hα-helixtrans-104.3-46.9174.6-178-177.8-147.900110.5A158 C159 L160 Y291A158-E162 PolarHBondContact O-N 3.07Å; C159-E162 PolarHBondContact O-N 2.89Å; L160-E162 PolarHBondContact O-N 2.95Å; E162-Y291 PolarHBondContact OE1-OH 2.89Å; E162-Y291 PolarHBondContact OE2-OH 2.86Å
163K87.8Confident90.2Very high36 Ų3632.9 Ų32.916%0.15719%0.186CC..Hα-helixtrans-111.7-8.2-166.2-58-173.6-173173.70114.2C159 V165 H256 M261C159-K163 PolarHBondContact O-N 3.42Å; K163-V165 PolarHBondContact O-N 3.22Å; K163-H256 WeakPolarHBondContact O-CB 3.34Å; K163-M261 PolarHBondContact NZ-SD 2.69Å
164C91.2Very high90.4Very high3 Ų337.1 Ų37.12%0.0221%0.205CC..SBendtrans60.3-8.5-178-55.60000116.4L160 V183 F184 H256L160-C164 WeakPolarHBondContact O-CA 3.48Å; L160-C164 PolarHBondContact O-N 3.44Å; C164-V183 CarbonylContact O-C 3.45Å; C164-V183 VanDerWaalsContact O-CA 3.25Å; C164-V183 WeakPolarHBondContact O-CA 3.39Å; C164-V183 WeakPolarHBondContact O-CG1 3.39Å; C164-F184 HydrophobicContact CB-CB 4.24Å; C164-F184 PolarHBondContact O-N 2.88Å; C164-H256 HydrophobicContact CB-CB 4.29Å
165V93.3Very high90.5Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-143.5136.8176.259.30000109.4K163 V181 C182 V183 F245 H256 D258K163-V165 PolarHBondContact O-N 3.22Å; V165-V181 HydrophobicContact CG2-CG2 3.74Å; V165-C182 WeakPolarHBondContact CA-O 3.38Å; V165-V183 HydrophobicContact CB-CG2 4.26Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å; V165-F245 HydrophobicContact CG2-CB 4.24Å; V165-H256 HydrophobicContact CG1-CB 3.78Å; V165-D258 HydrophobicContact CG1-CB 4.13Å; V165-D258 HydrophobicContact CG2-CB 4.45Å
166Q94.4Very high90.9Very high3 Ų334.1 Ų34.11%0.01419%0.188CC..EExtended strand (participates in β ladder)trans-156.1129.2178.9176.95461.500109.8L156 C159 L160 K168 C182 D258 Y265 Y285L156-Q166 HydrophobicContact CD1-CB 4.02Å; L156-Q166 HydrophobicContact CD1-CG 3.72Å; C159-Q166 HydrophobicContact CB-CG 4.24Å; C159-Q166 PolarHBondContact SG-OE1 2.87Å; L160-Q166 HydrophobicContact CD2-CB 3.97Å; L160-Q166 HydrophobicContact CG-CB 4.39Å; Q166-K168 PolarHBondContact O-N 3.22Å; Q166-C182 PolarHBondContact N-O 2.79Å; Q166-C182 PolarHBondContact O-N 2.86Å; Q166-D258 WeakPolarHBondContact CA-OD2 3.38Å; Q166-D258 PolarHBondContact NE2-OD2 3.44Å; Q166-Y265 PolarHBondContact NE2-OH 3.26Å; Q166-Y265 VanDerWaalsContact NE2-OH 3.1Å; Q166-Y285 PolarHBondContact NE2-OH 3.44Å; Q166-Y285 PolarHBondContact OE1-OH 3.13Å
167M95Very high91.3Very high0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-62132171.4-170.6171.368.700109.3F146 P149 C170 F227 F243 F245 D258 Y265F146-M167 HydrophobicContact CD2-CE 4.14Å; F146-M167 HydrophobicContact CE2-CE 3.28Å; F146-M167 HydrophobicContact CZ-CE 3.67Å; P149-M167 WeakPolarHBondContact CB-O 3.44Å; P149-M167 HydrophobicContact CG-CB 4.03Å; P149-M167 HydrophobicContact CG-CE 3.65Å; P149-M167 HydrophobicContact CG-CG 4.05Å; P149-M167 WeakPolarHBondContact CG-O 3.18Å; M167-C170 HydrophobicContact CE-CB 3.88Å; M167-C170 HydrophobicContact SD-CB 3.79Å; M167-F227 HydrophobicContact CG-CE1 4.21Å; M167-F227 HydrophobicContact CG-CZ 4.46Å; M167-F227 HydrophobicContact SD-CE1 4.12Å; M167-F227 HydrophobicContact SD-CZ 3.82Å; M167-F243 HydrophobicContact CE-CE2 4.45Å; M167-F243 HydrophobicContact CE-CZ 4.47Å; M167-F243 HydrophobicContact SD-CE2 3.82Å; M167-F243 HydrophobicContact SD-CZ 4.26Å; M167-F245 HydrophobicContact CB-CD2 4.22Å; M167-F245 HydrophobicContact CB-CE2 3.89Å; M167-F245 HydrophobicContact CG-CE2 3.92Å; M167-F245 HydrophobicContact CG-CZ 4.29Å; M167-F245 HydrophobicContact SD-CE2 3.5Å; M167-F245 VanDerWaalsContact SD-CE2 3.5Å; M167-F245 HydrophobicContact SD-CZ 3.86Å; M167-D258 PolarHBondContact N-OD2 3.49Å; M167-Y265 HydrophobicContact CB-CE2 4.08Å; M167-Y265 WeakPolarHBondContact CB-OH 3.27Å; M167-Y265 HydrophobicContact CE-CD1 3.36Å; M167-Y265 HydrophobicContact CE-CD2 4.12Å; M167-Y265 HydrophobicContact CE-CE1 3.26Å; M167-Y265 HydrophobicContact CE-CE2 4.04Å; M167-Y265 HydrophobicContact CE-CG 3.78Å; M167-Y265 HydrophobicContact SD-CD2 4.48Å; M167-Y265 HydrophobicContact SD-CE2 4.4Å
168K93.6Very high91.7Very high56 Ų5634.8 Ų34.824%0.24319%0.191CC..EExtended strand (participates in β ladder)trans-93.3-49.8-179.1177.1-179167-162.10111.1A150 Q166 E180A150-K168 HydrophobicContact CB-CG 4.37Å; A150-K168 WeakPolarHBondContact CB-O 3.3Å; A150-K168 PolarHBondContact N-O 2.88Å; Q166-K168 PolarHBondContact O-N 3.22Å; K168-E180 HydrophobicContact CB-CB 4.17Å; K168-E180 WeakPolarHBondContact CB-O 3.45Å; K168-E180 HydrophobicContact CD-CB 4.29Å; K168-E180 WeakPolarHBondContact CD-OE2 3.3Å; K168-E180 VanDerWaalsContact CE-OE2 3.32Å; K168-E180 WeakPolarHBondContact CE-OE2 3.32Å; K168-E180 PolarHBondContact N-O 3.31Å; K168-E180 IonicContact NZ-OE2 2.7Å; K168-E180 PolarHBondContact NZ-OE2 2.8Å
169S94.3Very high92.2Very high38 Ų3834.1 Ų34.127%0.26619%0.186SC..EExtended strand (participates in β ladder)trans-147.7155.2-177.265.20000110.9G179 E180S169-G179 VanDerWaalsContact O-CA 3.27Å; S169-G179 WeakPolarHBondContact O-CA 3.46Å; S169-E180 PolarHBondContact N-O 2.81Å; S169-E180 PolarHBondContact O-N 3.41Å; S169-E180 VanDerWaalsContact O-N 3.07Å; S169-E180 PolarHBondContact OG-N 2.79Å
170C95.8Very high92.6Very high3 Ų336.2 Ų36.22%0.0220%0.196CC..EExtended strand (participates in β ladder)trans-149.8142.6173.9-1730000110.3L144 F146 Q148 M167 L177 I178 F227L144-C170 HydrophobicContact CD1-CB 4.26Å; L144-C170 WeakPolarHBondContact CD1-O 3.35Å; F146-C170 HydrophobicContact CE2-CB 4.11Å; F146-C170 HydrophobicContact CZ-CB 4.02Å; Q148-C170 PolarHBondContact NE2-O 2.88Å; Q148-C170 PolarHBondContact OE1-O 2.79Å; M167-C170 HydrophobicContact CE-CB 3.88Å; M167-C170 HydrophobicContact SD-CB 3.79Å; C170-L177 WeakPolarHBondContact SG-CD1 3.11Å; C170-I178 CarbonylContact C-O 3.58Å; C170-I178 VanDerWaalsContact CA-O 3.3Å; C170-I178 WeakPolarHBondContact CA-O 3.1Å; C170-F227 HydrophobicContact CB-CZ 4.21Å
171S94.8Very high92.9Very high55 Ų5536.2 Ų36.239%0.38520%0.196SC..EExtended strand (participates in β ladder)trans-146.3164.5172.661.90000110.5L177 I178S171-L177 WeakPolarHBondContact O-CA 3.31Å; S171-I178 PolarHBondContact N-O 3.27Å; S171-I178 PolarHBondContact O-N 2.92Å; S171-I178 WeakPolarHBondContact OG-CG1 3.19Å
172I94Very high93.2Very high48 Ų4832.1 Ų32.125%0.24618%0.177CC..EExtended strand (participates in β ladder)trans-116.7124.7174.5-61.1171.8000107.2F142 L144 T176 L177 L231 V267F142-I172 HydrophobicContact CB-CD1 3.82Å; F142-I172 HydrophobicContact CB-CG2 4.5Å; L144-I172 HydrophobicContact CD2-CD1 3.87Å; L144-I172 HydrophobicContact CD2-CG1 3.9Å; L144-I172 HydrophobicContact CG-CD1 4.45Å; I172-T176 CarbonylContact C-O 3.6Å; I172-T176 WeakPolarHBondContact CA-O 3.44Å; I172-L177 HydrophobicContact CD1-CD1 4.23Å; I172-L177 HydrophobicContact CG1-CD1 3.6Å; I172-L231 HydrophobicContact CD1-CD1 4.08Å; I172-L231 HydrophobicContact CG1-CD1 4.27Å; I172-L231 HydrophobicContact CG2-CD1 3.8Å; I172-V267 HydrophobicContact CD1-CG1 3.79Å; I172-V267 HydrophobicContact CD1-CG2 4.45Å
173S90.3Very high93.5Very high59 Ų5928.4 Ų28.441%0.41316%0.159SC..EExtended strand (participates in β ladder)trans-134.1130.8172.5-166.70000108.4N175 T176S173-N175 VanDerWaalsContact C-N 3.34Å; S173-N175 PolarHBondContact O-N 2.83Å; S173-T176 PolarHBondContact N-O 2.85Å; S173-T176 WeakPolarHBondContact O-CA 3.22Å; S173-T176 VanDerWaalsContact O-CB 3.22Å; S173-T176 WeakPolarHBondContact O-CB 3.25Å; S173-T176 PolarHBondContact O-N 3.39Å
174D87.8Confident93.7Very high144 Ų14427.5 Ų27.577%0.7716%0.156SC*.THydrogen-bonded Turntrans47.352.3175.9-52.8-46.4000113.8T176D174-T176 PolarHBondContact O-N 2.81Å; D174-T176 PolarHBondContact O-OG1 2.85Å
175N88.4Confident93.3Very high33 Ų3329.6 Ų29.618%0.17617%0.165CC..THydrogen-bonded Turntrans55.125.2-176.5-73.262.4000114P140 S173 L231P140-N175 PolarHBondContact O-ND2 2.79Å; P140-N175 VanDerWaalsContact O-ND2 3.13Å; S173-N175 VanDerWaalsContact C-N 3.34Å; S173-N175 PolarHBondContact O-N 2.83Å; N175-L231 WeakPolarHBondContact O-CA 3.29Å; N175-L231 WeakPolarHBondContact O-CB 3.28Å; N175-L231 WeakPolarHBondContact O-CG 3.42Å; N175-L231 PolarHBondContact O-N 2.85Å
176T93.1Very high92.4Very high14 Ų1430.4 Ų30.49%0.08617%0.17CC..EExtended strand (participates in β ladder)trans-121.5126.5178.1-53.30000108.9I172 S173 D174 I178 E228I172-T176 CarbonylContact C-O 3.6Å; I172-T176 WeakPolarHBondContact CA-O 3.44Å; S173-T176 PolarHBondContact N-O 2.85Å; S173-T176 WeakPolarHBondContact O-CA 3.22Å; S173-T176 VanDerWaalsContact O-CB 3.22Å; S173-T176 WeakPolarHBondContact O-CB 3.25Å; S173-T176 PolarHBondContact O-N 3.39Å; D174-T176 PolarHBondContact O-N 2.81Å; D174-T176 PolarHBondContact O-OG1 2.85Å; T176-I178 HydrophobicContact CG2-CG2 3.94Å; T176-E228 HydrophobicContact CG2-CG 3.5Å
177L95.8Very high91.2Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-84.2122172.3-168.777.5000108.3L144 C170 S171 I172 M194 F227 E228 A229 L231 F243 V267L144-L177 HydrophobicContact CD2-CD1 3.75Å; C170-L177 WeakPolarHBondContact SG-CD1 3.11Å; S171-L177 WeakPolarHBondContact O-CA 3.31Å; I172-L177 HydrophobicContact CD1-CD1 4.23Å; I172-L177 HydrophobicContact CG1-CD1 3.6Å; L177-M194 HydrophobicContact CD2-CE 3.98Å; L177-M194 HydrophobicContact CD2-SD 4.46Å; L177-F227 HydrophobicContact CD2-CE2 4.22Å; L177-F227 HydrophobicContact CG-CE2 4.2Å; L177-E228 CarbonylContact O-C 3.57Å; L177-E228 WeakPolarHBondContact O-CA 3.49Å; L177-A229 HydrophobicContact CB-CB 4.33Å; L177-A229 PolarHBondContact N-O 3.38Å; L177-A229 PolarHBondContact O-N 3.15Å; L177-L231 HydrophobicContact CB-CD2 4.2Å; L177-F243 HydrophobicContact CD2-CD1 4Å; L177-F243 HydrophobicContact CD2-CD2 4.47Å; L177-F243 HydrophobicContact CD2-CE1 3.61Å; L177-F243 HydrophobicContact CD2-CE2 4.1Å; L177-F243 HydrophobicContact CD2-CG 4.42Å; L177-F243 HydrophobicContact CD2-CZ 3.66Å; L177-V267 HydrophobicContact CD1-CG2 3.88Å; L177-V267 HydrophobicContact CD2-CG2 4.44Å
178I97.1Very high90Very high46 Ų4636 Ų3624%0.23621%0.207CC..EExtended strand (participates in β ladder)trans-128.4157.7179.260.7176.4000110.4C170 S171 T176 F226 F227 E228C170-I178 CarbonylContact C-O 3.58Å; C170-I178 VanDerWaalsContact CA-O 3.3Å; C170-I178 WeakPolarHBondContact CA-O 3.1Å; S171-I178 PolarHBondContact N-O 3.27Å; S171-I178 PolarHBondContact O-N 2.92Å; S171-I178 WeakPolarHBondContact OG-CG1 3.19Å; T176-I178 HydrophobicContact CG2-CG2 3.94Å; I178-F226 HydrophobicContact CB-CE2 4.15Å; I178-F226 HydrophobicContact CB-CZ 4.02Å; I178-F226 HydrophobicContact CG2-CZ 4.03Å; I178-F227 WeakPolarHBondContact CA-O 3.45Å; I178-E228 HydrophobicContact CG2-CB 4.32Å; I178-E228 HydrophobicContact CG2-CG 4Å
179G96.6Very high89.1Confident6 Ų639.2 Ų39.26%0.06222%0.221CC..EExtended strand (participates in β ladder)trans169.5-174.6174.600000114.1S169 F226 F227S169-G179 VanDerWaalsContact O-CA 3.27Å; S169-G179 WeakPolarHBondContact O-CA 3.46Å; G179-F226 WeakPolarHBondContact O-CA 3.3Å; G179-F226 VanDerWaalsContact O-CD2 3.27Å; G179-F226 WeakPolarHBondContact O-CD2 3.32Å; G179-F227 VanDerWaalsContact CA-CE1 3.49Å; G179-F227 VanDerWaalsContact CA-CZ 3.46Å; G179-F227 PolarHBondContact N-O 2.94Å; G179-F227 VanDerWaalsContact O-CD1 3.32Å; G179-F227 WeakPolarHBondContact O-CD1 3.43Å; G179-F227 PolarHBondContact O-N 3.13Å
180E96.8Very high88.6Confident50 Ų5038 Ų3823%0.23421%0.213CC..EExtended strand (participates in β ladder)trans-117.6141.4179-67.3177.1-170.700110.7K168 S169 L212 V224 F225K168-E180 HydrophobicContact CB-CB 4.17Å; K168-E180 WeakPolarHBondContact CB-O 3.45Å; K168-E180 HydrophobicContact CD-CB 4.29Å; K168-E180 WeakPolarHBondContact CD-OE2 3.3Å; K168-E180 VanDerWaalsContact CE-OE2 3.32Å; K168-E180 WeakPolarHBondContact CE-OE2 3.32Å; K168-E180 PolarHBondContact N-O 3.31Å; K168-E180 IonicContact NZ-OE2 2.7Å; K168-E180 PolarHBondContact NZ-OE2 2.8Å; S169-E180 PolarHBondContact N-O 2.81Å; S169-E180 PolarHBondContact O-N 3.41Å; S169-E180 VanDerWaalsContact O-N 3.07Å; S169-E180 PolarHBondContact OG-N 2.79Å; E180-L212 HydrophobicContact CG-CD1 4.39Å; E180-V224 HydrophobicContact CB-CG1 4.14Å; E180-V224 HydrophobicContact CG-CG1 4.16Å; E180-F225 CarbonylContact C-O 3.49Å; E180-F225 VanDerWaalsContact CA-O 3.3Å; E180-F225 WeakPolarHBondContact CA-O 3.43Å
181V95.9Very high88.3Confident0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-123.7133.4170.861.30000108.9V165 V192 C209 F225 F245V165-V181 HydrophobicContact CG2-CG2 3.74Å; V181-V192 HydrophobicContact CG1-CG1 3.8Å; V181-V192 HydrophobicContact CG2-CG1 4.48Å; V181-C209 HydrophobicContact CG1-CB 4.4Å; V181-F225 HydrophobicContact CG1-CB 3.71Å; V181-F225 PolarHBondContact N-O 3.27Å; V181-F225 PolarHBondContact O-N 3.26Å; V181-F245 HydrophobicContact CB-CD1 4.15Å; V181-F245 HydrophobicContact CB-CE1 4.22Å; V181-F245 HydrophobicContact CG1-CD1 4.15Å; V181-F245 HydrophobicContact CG1-CE1 4.28Å; V181-F245 HydrophobicContact CG2-CB 4.33Å; V181-F245 HydrophobicContact CG2-CD1 4.06Å; V181-F245 HydrophobicContact CG2-CG 4.04Å
182C94.8Very high88.4Confident3 Ų338.8 Ų38.82%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-98.4141.9177.3-73.80000110L156 L160 V165 Q166 V222 D223L156-C182 HydrophobicContact CD1-CB 4.29Å; L160-C182 HydrophobicContact CD1-CB 3.97Å; L160-C182 HydrophobicContact CD2-CB 4.06Å; L160-C182 WeakPolarHBondContact CD2-O 3.47Å; V165-C182 WeakPolarHBondContact CA-O 3.38Å; Q166-C182 PolarHBondContact N-O 2.79Å; Q166-C182 PolarHBondContact O-N 2.86Å; C182-V222 HydrophobicContact CB-CG1 3.58Å; C182-D223 CarbonylContact C-O 3.24Å; C182-D223 WeakPolarHBondContact CA-O 3.28Å
183V93.5Very high88.5Confident0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-128136173.6178.20000108.7C164 V165 H185 V192 V222 D223 F225 S247C164-V183 CarbonylContact O-C 3.45Å; C164-V183 VanDerWaalsContact O-CA 3.25Å; C164-V183 WeakPolarHBondContact O-CA 3.39Å; C164-V183 WeakPolarHBondContact O-CG1 3.39Å; V165-V183 HydrophobicContact CB-CG2 4.26Å; V165-V183 HydrophobicContact CG2-CG2 3.97Å; V183-H185 PolarHBondContact O-N 3.4Å; V183-V192 HydrophobicContact CG2-CG2 3.47Å; V183-V192 VanDerWaalsContact CG2-CG2 3.47Å; V183-V222 CarbonylContact O-C 3.54Å; V183-V222 WeakPolarHBondContact O-CA 3.21Å; V183-V222 WeakPolarHBondContact O-CG1 3.45Å; V183-D223 HydrophobicContact CB-CB 4.5Å; V183-D223 PolarHBondContact N-O 3.48Å; V183-D223 PolarHBondContact O-N 3.06Å; V183-F225 HydrophobicContact CB-CE2 4.13Å; V183-F225 HydrophobicContact CG2-CD2 4.11Å; V183-F225 HydrophobicContact CG2-CE2 4.01Å; V183-S247 WeakPolarHBondContact CG1-OG 3.44Å
184F91.1Very high88.8Confident17 Ų1736 Ų368%0.07520%0.196CC..EExtended strand (participates in β ladder)trans-61.9122.7172174.4-120.2000109.3C164 S186 L220 F299 Y302 L303C164-F184 HydrophobicContact CB-CB 4.24Å; C164-F184 PolarHBondContact O-N 2.88Å; F184-S186 PolarHBondContact O-N 2.9Å; F184-L220 HydrophobicContact CD2-CD1 3.65Å; F184-L220 HydrophobicContact CD2-CD2 3.81Å; F184-L220 HydrophobicContact CD2-CG 3.66Å; F184-L220 HydrophobicContact CE2-CD1 3.31Å; F184-L220 HydrophobicContact CE2-CD2 4.36Å; F184-L220 HydrophobicContact CE2-CG 3.76Å; F184-L220 HydrophobicContact CZ-CD1 4.36Å; F184-F299 HydrophobicContact CD1-CE1 4.24Å; F184-F299 AromaticContact CD1-CZ 3.7Å; F184-F299 HydrophobicContact CD1-CZ 3.7Å; F184-F299 AromaticContact CE1-CE1 3.77Å; F184-F299 HydrophobicContact CE1-CE1 3.77Å; F184-F299 AromaticContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CG-CZ 4.18Å; F184-F299 AromaticContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CZ 4.21Å; F184-Y302 HydrophobicContact CD1-CD1 4.47Å; F184-Y302 AromaticContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CE1-CD1 4.34Å; F184-Y302 AromaticContact CE1-CE1 3.97Å; F184-Y302 HydrophobicContact CE1-CE1 3.97Å; F184-L303 HydrophobicContact CE1-CD2 3.98Å; F184-L303 HydrophobicContact CZ-CD2 4.03Å
185H83.7Confident89.3Confident47 Ų4731.5 Ų31.522%0.21817%0.17CC..  trans-72.696.8-176-175.487.7000109.9V183 Q214 D221 D223V183-H185 PolarHBondContact O-N 3.4Å; H185-Q214 PolarHBondContact CE1-OE1 3.24Å; H185-Q214 PolarHBondContact ND1-OE1 2.86Å; H185-D221 HydrophobicContact CB-CB 3.77Å; H185-D221 VanDerWaalsContact CB-O 3.28Å; H185-D221 WeakPolarHBondContact CB-O 3.47Å; H185-D221 PolarHBondContact N-O 3.37Å; H185-D223 IonicContact CE1-OD1 3.73Å; H185-D223 IonicContact CE1-OD2 3.84Å; H185-D223 IonicContact CG-OD1 3.71Å; H185-D223 IonicContact CG-OD2 3.76Å; H185-D223 IonicContact ND1-OD1 2.8Å; H185-D223 PolarHBondContact ND1-OD1 3.37Å; H185-D223 IonicContact ND1-OD2 2.91Å; H185-D223 PolarHBondContact ND1-OD2 3.1Å
186S74.7Confident89.6Confident16 Ų1630 Ų3011%0.11216%0.161CC..  trans-118.5-22.9179.267.70000113F184 Y302 C306F184-S186 PolarHBondContact O-N 2.9Å; S186-Y302 WeakPolarHBondContact CB-OH 3.32Å; S186-Y302 PolarHBondContact OG-OH 3.46Å; S186-C306 WeakPolarHBondContact O-CB 3.31Å
187C69.3Low89.6Confident19 Ų1929.3 Ų29.313%0.12816%0.157CC..  trans-144.1132.2-179.2-173.40000110.3K189 S190 P249C187-K189 PolarHBondContact O-N 2.79Å; C187-S190 PolarHBondContact O-N 3.1Å; C187-S190 PolarHBondContact O-OG 3.27Å; C187-P249 HydrophobicContact CB-CB 3.68Å
188P68.1Low89.3Confident101 Ų10131.5 Ų31.566%0.65617%0.167SC*.THydrogen-bonded Turntrans-61.9-16.9177.7-24.233.5000115
189K76.4Confident88.9Confident124 Ų12431.1 Ų31.154%0.53917%0.166SC..THydrogen-bonded Turntrans-114.540.5-177.6-67.4179.5177169.80111.6C187 G250 H313C187-K189 PolarHBondContact O-N 2.79Å; K189-G250 WeakPolarHBondContact O-CA 3.42Å; K189-G250 PolarHBondContact O-N 2.94Å; K189-H313 PolarHBondContact NZ-NE2 2.9Å
190S82.7Confident88.4Confident13 Ų1333.6 Ų33.69%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-72.7130.7176-61.40000110.3C187 S248C187-S190 PolarHBondContact O-N 3.1Å; C187-S190 PolarHBondContact O-OG 3.27Å; S190-S248 WeakPolarHBondContact CA-O 3.32Å
191T90.4Very high88Confident72 Ų7235.4 Ų35.444%0.44219%0.187SC..EExtended strand (participates in β ladder)trans-109.9133.2174.457.80000109.7S247 S248T191-S247 WeakPolarHBondContact O-CA 3.48Å; T191-S248 PolarHBondContact N-O 3.43Å; T191-S248 PolarHBondContact O-N 2.82Å; T191-S248 PolarHBondContact OG1-O 3.29Å; T191-S248 PolarHBondContact OG1-OG 2.61Å
192V95.2Very high87.6Confident3 Ų342.2 Ų42.22%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-118.8132.3179.5-172.40000109.6V181 V183 C209 F225 F245 T246V181-V192 HydrophobicContact CG1-CG1 3.8Å; V181-V192 HydrophobicContact CG2-CG1 4.48Å; V183-V192 HydrophobicContact CG2-CG2 3.47Å; V183-V192 VanDerWaalsContact CG2-CG2 3.47Å; V192-C209 HydrophobicContact CB-CB 3.97Å; V192-C209 HydrophobicContact CG1-CB 4.1Å; V192-C209 WeakPolarHBondContact O-CB 3.23Å; V192-C209 PolarHBondContact O-N 2.91Å; V192-F225 HydrophobicContact CB-CD1 4.15Å; V192-F225 HydrophobicContact CB-CD2 4.4Å; V192-F225 HydrophobicContact CB-CE1 4.44Å; V192-F225 HydrophobicContact CB-CG 4.15Å; V192-F225 HydrophobicContact CG2-CD1 3.97Å; V192-F225 HydrophobicContact CG2-CD2 3.62Å; V192-F225 HydrophobicContact CG2-CE1 3.93Å; V192-F225 HydrophobicContact CG2-CE2 3.57Å; V192-F225 HydrophobicContact CG2-CG 3.84Å; V192-F225 HydrophobicContact CG2-CZ 3.75Å; V192-F245 HydrophobicContact CG1-CD1 4.48Å; V192-T246 WeakPolarHBondContact CA-O 3.45Å
193N96.4Very high87.3Confident47 Ų4745.8 Ų45.825%0.25124%0.244SC..EExtended strand (participates in β ladder)trans-128.2134178.1-65.2-76.8000110I207 F245 T246N193-I207 CarbonylContact C-O 3.55Å; N193-I207 WeakPolarHBondContact CA-O 3.5Å; N193-F245 WeakPolarHBondContact O-CA 3.37Å; N193-T246 PolarHBondContact N-O 3.2Å; N193-T246 PolarHBondContact O-N 2.97Å; N193-T246 PolarHBondContact O-OG1 2.8Å
194M97.6Very high87.2Confident0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-85.8129.9165.2179.3178.6132.100109L177 M196 N206 I207 F227 A229 F243 C244 F245L177-M194 HydrophobicContact CD2-CE 3.98Å; L177-M194 HydrophobicContact CD2-SD 4.46Å; M194-M196 HydrophobicContact CE-CB 3.78Å; M194-M196 HydrophobicContact CE-CE 4.37Å; M194-M196 HydrophobicContact CE-CG 3.91Å; M194-M196 HydrophobicContact CE-SD 3.38Å; M194-M196 WeakPolarHBondContact CE-SD 3.42Å; M194-N206 CarbonylContact O-C 3.54Å; M194-N206 WeakPolarHBondContact O-CA 3.44Å; M194-I207 HydrophobicContact CB-CB 4.25Å; M194-I207 HydrophobicContact CE-CD1 3.88Å; M194-I207 PolarHBondContact N-O 3.38Å; M194-I207 PolarHBondContact O-N 3.11Å; M194-F227 HydrophobicContact SD-CB 4.49Å; M194-F227 HydrophobicContact SD-CD2 3.65Å; M194-F227 HydrophobicContact SD-CE2 4.14Å; M194-F227 HydrophobicContact SD-CG 4.22Å; M194-A229 HydrophobicContact CE-CB 3.41Å; M194-A229 VanDerWaalsContact CE-CB 3.41Å; M194-A229 HydrophobicContact SD-CB 4.27Å; M194-F243 HydrophobicContact CE-CB 4.01Å; M194-F243 HydrophobicContact CE-CD2 4.25Å; M194-F243 HydrophobicContact CE-CG 4.14Å; M194-F243 HydrophobicContact CG-CB 4.26Å; M194-F243 HydrophobicContact CG-CD2 4.14Å; M194-F243 HydrophobicContact SD-CD2 4Å; M194-F243 HydrophobicContact SD-CG 4.47Å; M194-C244 WeakPolarHBondContact CA-O 3.28Å; M194-F245 HydrophobicContact CB-CD1 3.99Å; M194-F245 HydrophobicContact CB-CE1 3.73Å; M194-F245 HydrophobicContact CB-CZ 4.47Å; M194-F245 HydrophobicContact CG-CD1 4.46Å; M194-F245 HydrophobicContact CG-CE1 3.98Å; M194-F245 HydrophobicContact CG-CZ 4.22Å; M194-F245 HydrophobicContact SD-CE1 4.27Å; M194-F245 HydrophobicContact SD-CZ 4.23Å
195K96.8Very high87.3Confident50 Ų5053 Ų5322%0.21728%0.278CS..EExtended strand (participates in β ladder)trans-105.4118.3177.1-81.7-170.6-178.1-173.20108W201 L204 N206 F243 C244 T246K195-W201 HydrophobicContact CB-CZ3 4.29Å; K195-L204 HydrophobicContact CB-CD1 3.77Å; K195-L204 HydrophobicContact CD-CD1 4.48Å; K195-L204 HydrophobicContact CD-CD2 4.14Å; K195-L204 HydrophobicContact CG-CD1 4.14Å; K195-L204 HydrophobicContact CG-CD2 4.29Å; K195-N206 WeakPolarHBondContact CG-OD1 3.43Å; K195-F243 CarbonylContact O-C 3.52Å; K195-F243 WeakPolarHBondContact O-CA 3.5Å; K195-F243 VanDerWaalsContact O-CB 3.22Å; K195-F243 WeakPolarHBondContact O-CB 3.13Å; K195-C244 PolarHBondContact N-O 3.35Å; K195-C244 PolarHBondContact O-N 2.7Å; K195-T246 HydrophobicContact CD-CG2 4.03Å
196M95.3Very high87.9Confident1 Ų155.3 Ų55.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-130.2140.9-172.6-171.2177.5-166.100112M194 F198 K205 I207 A229 L231 I241 E242 F243M194-M196 HydrophobicContact CE-CB 3.78Å; M194-M196 HydrophobicContact CE-CE 4.37Å; M194-M196 HydrophobicContact CE-CG 3.91Å; M194-M196 HydrophobicContact CE-SD 3.38Å; M194-M196 WeakPolarHBondContact CE-SD 3.42Å; M196-F198 HydrophobicContact CE-CD1 4.47Å; M196-F198 HydrophobicContact CE-CE1 3.43Å; M196-F198 VanDerWaalsContact CE-CE1 3.43Å; M196-F198 HydrophobicContact CE-CZ 3.7Å; M196-F198 HydrophobicContact CG-CE1 4.41Å; M196-F198 HydrophobicContact CG-CZ 4.14Å; M196-F198 HydrophobicContact SD-CE1 4.11Å; M196-F198 HydrophobicContact SD-CZ 3.74Å; M196-K205 PolarHBondContact N-O 2.94Å; M196-K205 PolarHBondContact O-N 2.97Å; M196-I207 HydrophobicContact CB-CD1 4.16Å; M196-I207 HydrophobicContact SD-CD1 4.16Å; M196-A229 HydrophobicContact SD-CB 3.97Å; M196-L231 HydrophobicContact CE-CD2 3.73Å; M196-I241 HydrophobicContact CE-CG2 3.34Å; M196-E242 WeakPolarHBondContact CA-O 3.41Å; M196-F243 HydrophobicContact CB-CB 4.16Å; M196-F243 HydrophobicContact CG-CB 4.19Å
197T93.3Very high88.9Confident0 Ų054.7 Ų54.70%029%0.288CS..EExtended strand (participates in β ladder)trans-134.8156177.3176.20000110.5D199 W201 T203 I241 E242T197-D199 PolarHBondContact OG1-N 3.32Å; T197-D199 PolarHBondContact OG1-OD1 3.14Å; T197-W201 HydrophobicContact CG2-CD2 3.68Å; T197-W201 HydrophobicContact CG2-CE3 4.19Å; T197-W201 HydrophobicContact CG2-CG 3.86Å; T197-W201 HydrophobicContact CG2-CZ2 4.13Å; T197-W201 WeakPolarHBondContact OG1-CA 3.5Å; T197-W201 PolarHBondContact OG1-N 3.49Å; T197-T203 WeakPolarHBondContact CB-O 3.25Å; T197-T203 PolarHBondContact OG1-O 3Å; T197-I241 WeakPolarHBondContact O-CA 3.03Å; T197-E242 HydrophobicContact CG2-CB 3.93Å; T197-E242 PolarHBondContact N-O 2.99Å; T197-E242 PolarHBondContact O-N 3.02Å; T197-E242 VanDerWaalsContact O-N 3.1Å
198F90.5Very high90.2Very high47 Ų4757 Ų5721%0.20630%0.303CS..SBendtrans-121-0.3175.3-53.3-74.9000112.5M196 P232 R240 I241M196-F198 HydrophobicContact CE-CD1 4.47Å; M196-F198 HydrophobicContact CE-CE1 3.43Å; M196-F198 VanDerWaalsContact CE-CE1 3.43Å; M196-F198 HydrophobicContact CE-CZ 3.7Å; M196-F198 HydrophobicContact CG-CE1 4.41Å; M196-F198 HydrophobicContact CG-CZ 4.14Å; M196-F198 HydrophobicContact SD-CE1 4.11Å; M196-F198 HydrophobicContact SD-CZ 3.74Å; F198-P232 HydrophobicContact CD1-CG 3.78Å; F198-P232 HydrophobicContact CE1-CG 3.86Å; F198-R240 CarbonylContact C-O 3.47Å; F198-R240 VanDerWaalsContact C-O 3.24Å; F198-R240 WeakPolarHBondContact CA-O 3.3Å; F198-I241 HydrophobicContact CD1-CB 4.39Å; F198-I241 HydrophobicContact CD1-CD1 4.14Å; F198-I241 HydrophobicContact CD1-CG1 3.95Å; F198-I241 HydrophobicContact CD1-CG2 3.95Å; F198-I241 HydrophobicContact CE1-CD1 4.35Å; F198-I241 HydrophobicContact CE1-CG2 3.9Å
199D86.8Confident91.6Very high38 Ų3852.9 Ų52.920%0.20328%0.276CS..BIsolated β-bridgetrans-143.441.9-164.762.9-4.5000111.7T197 W201 I202 T203T197-D199 PolarHBondContact OG1-N 3.32Å; T197-D199 PolarHBondContact OG1-OD1 3.14Å; D199-W201 VanDerWaalsContact C-N 3.33Å; D199-W201 PolarHBondContact O-N 3.29Å; D199-I202 WeakPolarHBondContact O-CD1 3.11Å; D199-I202 VanDerWaalsContact O-CG1 3.28Å; D199-I202 WeakPolarHBondContact O-CG1 3.12Å; D199-I202 PolarHBondContact O-N 3.23Å; D199-I202 PolarHBondContact OD1-N 3.49Å; D199-T203 PolarHBondContact OD1-N 3.07Å; D199-T203 PolarHBondContact OD1-OG1 2.74Å; D199-T203 VanDerWaalsContact OD1-OG1 3.1Å; D199-T203 VanDerWaalsContact OD2-CB 3.3Å; D199-T203 WeakPolarHBondContact OD2-CB 3.18Å; D199-T203 VanDerWaalsContact OD2-CG2 3.25Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.49Å; D199-T203 PolarHBondContact OD2-N 3.4Å; D199-T203 VanDerWaalsContact OD2-N 3.14Å; D199-T203 PolarHBondContact OD2-OG1 3.46Å
200S87.3Confident92.5Very high58 Ų5853.4 Ų53.441%0.40628%0.278SS..THydrogen-bonded Turntrans57.641.9174.7-56.70000113.8I202S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.34Å
201W88.6Confident93.1Very high87 Ų8758.1 Ų58.133%0.3330%0.297SS..THydrogen-bonded Turntrans68.717.1177.9-57.286.1000115.7K195 T197 D199 L204 E242 C244 N264K195-W201 HydrophobicContact CB-CZ3 4.29Å; T197-W201 HydrophobicContact CG2-CD2 3.68Å; T197-W201 HydrophobicContact CG2-CE3 4.19Å; T197-W201 HydrophobicContact CG2-CG 3.86Å; T197-W201 HydrophobicContact CG2-CZ2 4.13Å; T197-W201 WeakPolarHBondContact OG1-CA 3.5Å; T197-W201 PolarHBondContact OG1-N 3.49Å; D199-W201 VanDerWaalsContact C-N 3.33Å; D199-W201 PolarHBondContact O-N 3.29Å; W201-L204 HydrophobicContact CE3-CD1 4.05Å; W201-L204 HydrophobicContact CZ3-CD1 3.71Å; W201-E242 HydrophobicContact CZ2-CB 4.11Å; W201-E242 PolarHBondContact NE1-OE2 3.44Å; W201-C244 HydrophobicContact CH2-CB 4.35Å; W201-C244 VanDerWaalsContact CH2-SG 3.56Å; W201-N264 HydrophobicContact CZ2-CB 4.21Å; W201-N264 VanDerWaalsContact CZ2-CG 3.5Å; W201-N264 VanDerWaalsContact CZ2-ND2 3.32Å; W201-N264 WeakPolarHBondContact CZ2-ND2 3.33Å; W201-N264 PolarHBondContact NE1-ND2 3.24Å
202I87.3Confident93.3Very high143 Ų14358.7 Ų58.773%0.73330%0.297SS*.SBendtrans-70.6-48.3170.6-62.6169.9000109.7D199 S200D199-I202 WeakPolarHBondContact O-CD1 3.11Å; D199-I202 VanDerWaalsContact O-CG1 3.28Å; D199-I202 WeakPolarHBondContact O-CG1 3.12Å; D199-I202 PolarHBondContact O-N 3.23Å; D199-I202 PolarHBondContact OD1-N 3.49Å; S200-I202 VanDerWaalsContact C-N 3.3Å; S200-I202 PolarHBondContact O-N 3.34Å
203T88.3Confident93.3Very high79 Ų7962 Ų6249%0.48531%0.312SS..SBendtrans-110.7143.7171.864.60000111.1T197 D199T197-T203 WeakPolarHBondContact CB-O 3.25Å; T197-T203 PolarHBondContact OG1-O 3Å; D199-T203 PolarHBondContact OD1-N 3.07Å; D199-T203 PolarHBondContact OD1-OG1 2.74Å; D199-T203 VanDerWaalsContact OD1-OG1 3.1Å; D199-T203 VanDerWaalsContact OD2-CB 3.3Å; D199-T203 WeakPolarHBondContact OD2-CB 3.18Å; D199-T203 VanDerWaalsContact OD2-CG2 3.25Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.49Å; D199-T203 PolarHBondContact OD2-N 3.4Å; D199-T203 VanDerWaalsContact OD2-N 3.14Å; D199-T203 PolarHBondContact OD2-OG1 3.46Å
204L91.4Very high93.1Very high81 Ų8164.4 Ų64.442%0.42432%0.322SS..  trans-125.7125.8-177.3-178.770.6000110.5K195 W201K195-L204 HydrophobicContact CB-CD1 3.77Å; K195-L204 HydrophobicContact CD-CD1 4.48Å; K195-L204 HydrophobicContact CD-CD2 4.14Å; K195-L204 HydrophobicContact CG-CD1 4.14Å; K195-L204 HydrophobicContact CG-CD2 4.29Å; W201-L204 HydrophobicContact CE3-CD1 4.05Å; W201-L204 HydrophobicContact CZ3-CD1 3.71Å
205K93.5Very high92.8Very high86 Ų8669.1 Ų69.137%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-101.7120.5168.1-168.4179175.6-178.40109.4M196 I207M196-K205 PolarHBondContact N-O 2.94Å; M196-K205 PolarHBondContact O-N 2.97Å; K205-I207 HydrophobicContact CD-CD1 4.06Å; K205-I207 HydrophobicContact CD-CG1 4.18Å; K205-I207 HydrophobicContact CG-CD1 4.22Å; K205-I207 HydrophobicContact CG-CG1 4.01Å
206N95.6Very high92.5Very high96 Ų9675.2 Ų75.251%0.51336%0.361SS..EExtended strand (participates in β ladder)trans-92.6125.8171.2-66.4-41.5000109.1M194 K195M194-N206 CarbonylContact O-C 3.54Å; M194-N206 WeakPolarHBondContact O-CA 3.44Å; K195-N206 WeakPolarHBondContact CG-OD1 3.43Å
207I96.3Very high92.1Very high4 Ų476.5 Ų76.52%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-123.3114.6-176.9-63.3155.6000107.7N193 M194 M196 K205 C209 E228 A229N193-I207 CarbonylContact C-O 3.55Å; N193-I207 WeakPolarHBondContact CA-O 3.5Å; M194-I207 HydrophobicContact CB-CB 4.25Å; M194-I207 HydrophobicContact CE-CD1 3.88Å; M194-I207 PolarHBondContact N-O 3.38Å; M194-I207 PolarHBondContact O-N 3.11Å; M196-I207 HydrophobicContact CB-CD1 4.16Å; M196-I207 HydrophobicContact SD-CD1 4.16Å; K205-I207 HydrophobicContact CD-CD1 4.06Å; K205-I207 HydrophobicContact CD-CG1 4.18Å; K205-I207 HydrophobicContact CG-CD1 4.22Å; K205-I207 HydrophobicContact CG-CG1 4.01Å; I207-C209 PolarHBondContact O-N 2.8Å; I207-E228 WeakPolarHBondContact CG2-O 3.26Å; I207-A229 HydrophobicContact CD1-CB 3.63Å
208P96.1Very high91.6Very high68 Ų6881.6 Ų81.644%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-68.9134.1179.828.2-33.2000110.4
209C97.3Very high91.3Very high13 Ų1381.6 Ų81.69%0.08841%0.409CS..PPolyproline II helixtrans-87.7138.8172.7-51.90000109.1V181 V192 I207 F225 F226 F227V181-C209 HydrophobicContact CG1-CB 4.4Å; V192-C209 HydrophobicContact CB-CB 3.97Å; V192-C209 HydrophobicContact CG1-CB 4.1Å; V192-C209 WeakPolarHBondContact O-CB 3.23Å; V192-C209 PolarHBondContact O-N 2.91Å; I207-C209 PolarHBondContact O-N 2.8Å; C209-F225 HydrophobicContact CB-CB 3.79Å; C209-F225 HydrophobicContact CB-CD1 4.43Å; C209-F225 HydrophobicContact CB-CG 4.48Å; C209-F226 CarbonylContact C-O 3.53Å; C209-F226 VanDerWaalsContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CB-O 3.43Å; C209-F227 HydrophobicContact CB-CB 4.45Å
210K96.3Very high91.3Very high135 Ų13580.7 Ų80.759%0.58741%0.405SS*.EExtended strand (participates in β ladder)trans-89.4127.9-178.5-63.2174.8-176.2168.40109.2L212 F225 F226K210-L212 PolarHBondContact O-N 3.17Å; K210-F225 CarbonylContact O-C 3.53Å; K210-F225 WeakPolarHBondContact O-CA 3.3Å; K210-F226 PolarHBondContact N-O 2.82Å; K210-F226 PolarHBondContact O-N 2.88Å
211F95.2Very high91.5Very high112 Ų11281 Ų8149%0.49140%0.402SS..EExtended strand (participates in β ladder)trans-60.2131.6171.3177.1-99.7000109.7Q214 D223 F225F211-Q214 HydrophobicContact CZ-CB 4.24Å; F211-D223 HydrophobicContact CD2-CB 4.36Å; F211-D223 HydrophobicContact CE2-CB 3.99Å; F211-F225 HydrophobicContact CB-CD1 3.99Å; F211-F225 HydrophobicContact CB-CE1 3.8Å; F211-F225 HydrophobicContact CB-CZ 4.5Å; F211-F225 HydrophobicContact CD2-CE1 4.13Å; F211-F225 HydrophobicContact CD2-CE2 4.35Å; F211-F225 AromaticContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CG-CE1 4.48Å
212L94.8Very high91.7Very high84 Ų8477 Ų7744%0.4439%0.387SS..EExtended strand (participates in β ladder)trans-103-60.3175.8-70.5-176.4000110.8E180 K210 V224 F226E180-L212 HydrophobicContact CG-CD1 4.39Å; K210-L212 PolarHBondContact O-N 3.17Å; L212-V224 WeakPolarHBondContact CB-O 3.47Å; L212-V224 HydrophobicContact CD1-CG1 4.3Å; L212-V224 PolarHBondContact N-O 2.85Å; L212-F226 HydrophobicContact CD1-CB 3.73Å; L212-F226 HydrophobicContact CD2-CB 3.73Å; L212-F226 HydrophobicContact CG-CB 3.65Å
213E94.4Very high92Very high72 Ų7270.4 Ų70.434%0.33635%0.353SS..EExtended strand (participates in β ladder)trans-159.4158.6-171.461178.5174.600110.6R215 V224E213-R215 VanDerWaalsContact CD-NH2 3.32Å; E213-R215 IonicContact OE1-CZ 3.94Å; E213-R215 IonicContact OE1-NH1 2.99Å; E213-R215 PolarHBondContact OE1-NH1 2.94Å; E213-R215 IonicContact OE1-NH2 3.22Å; E213-R215 PolarHBondContact OE1-NH2 2.88Å; E213-R215 IonicContact OE2-CZ 2.69Å; E213-R215 IonicContact OE2-NH2 3.07Å; E213-R215 PolarHBondContact OE2-NH2 2.91Å; E213-V224 HydrophobicContact CG-CB 4.03Å; E213-V224 HydrophobicContact CG-CG2 4.19Å; E213-V224 PolarHBondContact N-O 2.87Å; E213-V224 PolarHBondContact O-N 2.95Å
214Q93.4Very high92.3Very high98 Ų9866.8 Ų66.846%0.45833%0.331SS..EExtended strand (participates in β ladder)trans-100.1128.9164-176179.9-37.900108H185 F211 V222 D223H185-Q214 PolarHBondContact CE1-OE1 3.24Å; H185-Q214 PolarHBondContact ND1-OE1 2.86Å; F211-Q214 HydrophobicContact CZ-CB 4.24Å; Q214-V222 CarbonylContact C-O 3.54Å; Q214-V222 WeakPolarHBondContact CA-O 3.4Å; Q214-D223 WeakPolarHBondContact CG-OD1 3.45Å
215R90.9Very high92.6Very high100 Ų10063.3 Ų63.338%0.37731%0.312SS..EExtended strand (participates in β ladder)trans-126.6144.8178.1176.9174-74118.64.5110.1E213 V217 V222E213-R215 VanDerWaalsContact CD-NH2 3.32Å; E213-R215 IonicContact OE1-CZ 3.94Å; E213-R215 IonicContact OE1-NH1 2.99Å; E213-R215 PolarHBondContact OE1-NH1 2.94Å; E213-R215 IonicContact OE1-NH2 3.22Å; E213-R215 PolarHBondContact OE1-NH2 2.88Å; E213-R215 IonicContact OE2-CZ 2.69Å; E213-R215 IonicContact OE2-NH2 3.07Å; E213-R215 PolarHBondContact OE2-NH2 2.91Å; R215-V217 HydrophobicContact CG-CG2 3.95Å; R215-V222 PolarHBondContact N-O 2.92Å; R215-V222 PolarHBondContact O-N 2.86Å; R215-V222 VanDerWaalsContact O-O 3.09Å
216R90.3Very high92.8Very high178 Ų17861.8 Ų61.867%0.67231%0.306SS*.EExtended strand (participates in β ladder)trans-91.3121.3167.3-160169.7-172.5-1770.6110.3G219 L220R216-G219 PolarHBondContact NE-O 3.46Å; R216-G219 VanDerWaalsContact NE-O 3.17Å; R216-L220 CarbonylContact C-O 3.44Å; R216-L220 WeakPolarHBondContact CA-O 3.22Å
217V85.8Confident92.9Very high27 Ų2757.3 Ų57.316%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-120.3116.9179.3-176.20000108I157 R215 G219 L220 V222I157-V217 HydrophobicContact CD1-CB 3.85Å; I157-V217 HydrophobicContact CD1-CG1 3.75Å; I157-V217 VanDerWaalsContact CD1-O 3.26Å; I157-V217 WeakPolarHBondContact CD1-O 3.47Å; I157-V217 HydrophobicContact CG1-CG1 4.12Å; R215-V217 HydrophobicContact CG-CG2 3.95Å; V217-G219 PolarHBondContact O-N 3.21Å; V217-L220 PolarHBondContact N-O 3.34Å; V217-L220 WeakPolarHBondContact O-CB 3.03Å; V217-L220 PolarHBondContact O-N 2.91Å; V217-V222 HydrophobicContact CB-CG2 4.49Å; V217-V222 HydrophobicContact CG2-CG2 4.47Å
218N84Confident92.9Very high107 Ų10761.1 Ų61.157%0.57230%0.299SS*.THydrogen-bonded Turntrans4541.1-177.5-65.1-1.8000113.8D154 I157 L220D154-N218 PolarHBondContact OD1-ND2 3.04Å; I157-N218 HydrophobicContact CG1-CB 4.31Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.85Å
219G83Confident92.9Very high47 Ų4758 Ų5849%0.48528%0.28SS..THydrogen-bonded Turntrans88.2-13.8178.900000115.6R216 V217R216-G219 PolarHBondContact NE-O 3.46Å; R216-G219 VanDerWaalsContact NE-O 3.17Å; V217-G219 PolarHBondContact O-N 3.21Å
220L86.9Confident92.6Very high19 Ų1958.8 Ų58.810%0.09929%0.285CS..EExtended strand (participates in β ladder)trans-85.2131.2176.5-160.976.8000110.7I157 L160 Q161 F184 R216 V217 N218 V222I157-L220 HydrophobicContact CD1-CB 3.71Å; I157-L220 HydrophobicContact CD1-CD2 3.67Å; I157-L220 HydrophobicContact CD1-CG 4.33Å; I157-L220 HydrophobicContact CG2-CD2 4.4Å; L160-L220 HydrophobicContact CB-CD2 4.05Å; L160-L220 HydrophobicContact CD1-CD2 4.4Å; Q161-L220 HydrophobicContact CG-CD1 4.25Å; Q161-L220 HydrophobicContact CG-CD2 4.41Å; F184-L220 HydrophobicContact CD2-CD1 3.65Å; F184-L220 HydrophobicContact CD2-CD2 3.81Å; F184-L220 HydrophobicContact CD2-CG 3.66Å; F184-L220 HydrophobicContact CE2-CD1 3.31Å; F184-L220 HydrophobicContact CE2-CD2 4.36Å; F184-L220 HydrophobicContact CE2-CG 3.76Å; F184-L220 HydrophobicContact CZ-CD1 4.36Å; R216-L220 CarbonylContact C-O 3.44Å; R216-L220 WeakPolarHBondContact CA-O 3.22Å; V217-L220 PolarHBondContact N-O 3.34Å; V217-L220 WeakPolarHBondContact O-CB 3.03Å; V217-L220 PolarHBondContact O-N 2.91Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 2.85Å; L220-V222 HydrophobicContact CB-CG2 4.36Å; L220-V222 HydrophobicContact CD2-CG2 3.94Å; L220-V222 HydrophobicContact CG-CG2 4.22Å
221D91.3Very high92.4Very high65 Ų6552.6 Ų52.635%0.34826%0.258SS..EExtended strand (participates in β ladder)trans-79.6127.4170.5-66.4-42.8000109.7H185H185-D221 HydrophobicContact CB-CB 3.77Å; H185-D221 VanDerWaalsContact CB-O 3.28Å; H185-D221 WeakPolarHBondContact CB-O 3.47Å; H185-D221 PolarHBondContact N-O 3.37Å
222V92.9Very high91.9Very high2 Ų248.7 Ų48.71%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-134.6129.5-173-179.50000109.4L160 C182 V183 Q214 R215 V217 L220L160-V222 HydrophobicContact CD1-CG1 3.91Å; L160-V222 HydrophobicContact CD1-CG2 3.82Å; C182-V222 HydrophobicContact CB-CG1 3.58Å; V183-V222 CarbonylContact O-C 3.54Å; V183-V222 WeakPolarHBondContact O-CA 3.21Å; V183-V222 WeakPolarHBondContact O-CG1 3.45Å; Q214-V222 CarbonylContact C-O 3.54Å; Q214-V222 WeakPolarHBondContact CA-O 3.4Å; R215-V222 PolarHBondContact N-O 2.92Å; R215-V222 PolarHBondContact O-N 2.86Å; R215-V222 VanDerWaalsContact O-O 3.09Å; V217-V222 HydrophobicContact CB-CG2 4.49Å; V217-V222 HydrophobicContact CG2-CG2 4.47Å; L220-V222 HydrophobicContact CB-CG2 4.36Å; L220-V222 HydrophobicContact CD2-CG2 3.94Å; L220-V222 HydrophobicContact CG-CG2 4.22Å
223D94.3Very high91.1Very high6 Ų648.8 Ų48.83%0.03224%0.242CC..EExtended strand (participates in β ladder)trans-88.6130.8169.9-66-31.2000109.7C182 V183 H185 F211 Q214 F225C182-D223 CarbonylContact C-O 3.24Å; C182-D223 WeakPolarHBondContact CA-O 3.28Å; V183-D223 HydrophobicContact CB-CB 4.5Å; V183-D223 PolarHBondContact N-O 3.48Å; V183-D223 PolarHBondContact O-N 3.06Å; H185-D223 IonicContact CE1-OD1 3.73Å; H185-D223 IonicContact CE1-OD2 3.84Å; H185-D223 IonicContact CG-OD1 3.71Å; H185-D223 IonicContact CG-OD2 3.76Å; H185-D223 IonicContact ND1-OD1 2.8Å; H185-D223 PolarHBondContact ND1-OD1 3.37Å; H185-D223 IonicContact ND1-OD2 2.91Å; H185-D223 PolarHBondContact ND1-OD2 3.1Å; F211-D223 HydrophobicContact CD2-CB 4.36Å; F211-D223 HydrophobicContact CE2-CB 3.99Å; Q214-D223 WeakPolarHBondContact CG-OD1 3.45Å; D223-F225 HydrophobicContact CB-CD2 4.25Å; D223-F225 HydrophobicContact CB-CE2 3.51Å; D223-F225 HydrophobicContact CB-CZ 4.25Å
224V95.2Very high89.5Confident2 Ų252.2 Ų52.21%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-104.3126.6177.3-173.30000108.7E180 L212 E213E180-V224 HydrophobicContact CB-CG1 4.14Å; E180-V224 HydrophobicContact CG-CG1 4.16Å; L212-V224 WeakPolarHBondContact CB-O 3.47Å; L212-V224 HydrophobicContact CD1-CG1 4.3Å; L212-V224 PolarHBondContact N-O 2.85Å; E213-V224 HydrophobicContact CG-CB 4.03Å; E213-V224 HydrophobicContact CG-CG2 4.19Å; E213-V224 PolarHBondContact N-O 2.87Å; E213-V224 PolarHBondContact O-N 2.95Å
225F96.9Very high87.9Confident9 Ų950.6 Ų50.64%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-117.7144175.2-61.7-107.1000110.5E180 V181 V183 V192 C209 K210 F211 D223E180-F225 CarbonylContact C-O 3.49Å; E180-F225 VanDerWaalsContact CA-O 3.3Å; E180-F225 WeakPolarHBondContact CA-O 3.43Å; V181-F225 HydrophobicContact CG1-CB 3.71Å; V181-F225 PolarHBondContact N-O 3.27Å; V181-F225 PolarHBondContact O-N 3.26Å; V183-F225 HydrophobicContact CB-CE2 4.13Å; V183-F225 HydrophobicContact CG2-CD2 4.11Å; V183-F225 HydrophobicContact CG2-CE2 4.01Å; V192-F225 HydrophobicContact CB-CD1 4.15Å; V192-F225 HydrophobicContact CB-CD2 4.4Å; V192-F225 HydrophobicContact CB-CE1 4.44Å; V192-F225 HydrophobicContact CB-CG 4.15Å; V192-F225 HydrophobicContact CG2-CD1 3.97Å; V192-F225 HydrophobicContact CG2-CD2 3.62Å; V192-F225 HydrophobicContact CG2-CE1 3.93Å; V192-F225 HydrophobicContact CG2-CE2 3.57Å; V192-F225 HydrophobicContact CG2-CG 3.84Å; V192-F225 HydrophobicContact CG2-CZ 3.75Å; C209-F225 HydrophobicContact CB-CB 3.79Å; C209-F225 HydrophobicContact CB-CD1 4.43Å; C209-F225 HydrophobicContact CB-CG 4.48Å; K210-F225 CarbonylContact O-C 3.53Å; K210-F225 WeakPolarHBondContact O-CA 3.3Å; F211-F225 HydrophobicContact CB-CD1 3.99Å; F211-F225 HydrophobicContact CB-CE1 3.8Å; F211-F225 HydrophobicContact CB-CZ 4.5Å; F211-F225 HydrophobicContact CD2-CE1 4.13Å; F211-F225 HydrophobicContact CD2-CE2 4.35Å; F211-F225 AromaticContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CD2-CZ 3.99Å; F211-F225 HydrophobicContact CG-CE1 4.48Å; D223-F225 HydrophobicContact CB-CD2 4.25Å; D223-F225 HydrophobicContact CB-CE2 3.51Å; D223-F225 HydrophobicContact CB-CZ 4.25Å
226F97.7Very high86.2Confident54 Ų5453.6 Ų53.624%0.23728%0.282CS..EExtended strand (participates in β ladder)trans-96.3139.6172.4-176.7-108.3000110.9I178 G179 C209 K210 L212 E228I178-F226 HydrophobicContact CB-CE2 4.15Å; I178-F226 HydrophobicContact CB-CZ 4.02Å; I178-F226 HydrophobicContact CG2-CZ 4.03Å; G179-F226 WeakPolarHBondContact O-CA 3.3Å; G179-F226 VanDerWaalsContact O-CD2 3.27Å; G179-F226 WeakPolarHBondContact O-CD2 3.32Å; C209-F226 CarbonylContact C-O 3.53Å; C209-F226 VanDerWaalsContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CA-O 3.25Å; C209-F226 WeakPolarHBondContact CB-O 3.43Å; K210-F226 PolarHBondContact N-O 2.82Å; K210-F226 PolarHBondContact O-N 2.88Å; L212-F226 HydrophobicContact CD1-CB 3.73Å; L212-F226 HydrophobicContact CD2-CB 3.73Å; L212-F226 HydrophobicContact CG-CB 3.65Å; F226-E228 HydrophobicContact CE1-CB 3.84Å; F226-E228 HydrophobicContact CZ-CB 4.38Å
227F97.3Very high84.9Confident1 Ų153.6 Ų53.60%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-124.2150.6169.765.5-92000110.9M167 C170 L177 I178 G179 M194 C209 F245M167-F227 HydrophobicContact CG-CE1 4.21Å; M167-F227 HydrophobicContact CG-CZ 4.46Å; M167-F227 HydrophobicContact SD-CE1 4.12Å; M167-F227 HydrophobicContact SD-CZ 3.82Å; C170-F227 HydrophobicContact CB-CZ 4.21Å; L177-F227 HydrophobicContact CD2-CE2 4.22Å; L177-F227 HydrophobicContact CG-CE2 4.2Å; I178-F227 WeakPolarHBondContact CA-O 3.45Å; G179-F227 VanDerWaalsContact CA-CE1 3.49Å; G179-F227 VanDerWaalsContact CA-CZ 3.46Å; G179-F227 PolarHBondContact N-O 2.94Å; G179-F227 VanDerWaalsContact O-CD1 3.32Å; G179-F227 WeakPolarHBondContact O-CD1 3.43Å; G179-F227 PolarHBondContact O-N 3.13Å; M194-F227 HydrophobicContact SD-CB 4.49Å; M194-F227 HydrophobicContact SD-CD2 3.65Å; M194-F227 HydrophobicContact SD-CE2 4.14Å; M194-F227 HydrophobicContact SD-CG 4.22Å; C209-F227 HydrophobicContact CB-CB 4.45Å; F227-F245 HydrophobicContact CB-CE1 4.34Å; F227-F245 AromaticContact CD1-CE1 3.53Å; F227-F245 HydrophobicContact CD1-CE1 3.53Å; F227-F245 AromaticContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD2-CE1 4.49Å; F227-F245 HydrophobicContact CD2-CZ 4.35Å; F227-F245 AromaticContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE2 4.5Å; F227-F245 AromaticContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE1-CZ 3.47Å; F227-F245 VanDerWaalsContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE2-CZ 4.2Å; F227-F245 AromaticContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CZ 4.08Å; F227-F245 HydrophobicContact CZ-CE1 4.48Å; F227-F245 AromaticContact CZ-CZ 3.77Å; F227-F245 HydrophobicContact CZ-CZ 3.77Å
228E96.9Very high84.1Confident84 Ų8453.6 Ų53.639%0.39329%0.286SS..EExtended strand (participates in β ladder)trans-144.2126.8177.4-178.6-178.7175.600108.6T176 L177 I178 I207 F226T176-E228 HydrophobicContact CG2-CG 3.5Å; L177-E228 CarbonylContact O-C 3.57Å; L177-E228 WeakPolarHBondContact O-CA 3.49Å; I178-E228 HydrophobicContact CG2-CB 4.32Å; I178-E228 HydrophobicContact CG2-CG 4Å; I207-E228 WeakPolarHBondContact CG2-O 3.26Å; F226-E228 HydrophobicContact CE1-CB 3.84Å; F226-E228 HydrophobicContact CZ-CB 4.38Å
229A95.5Very high83.2Confident3 Ų355.9 Ų55.93%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-142.3122.5-176.200000111.5L177 M194 M196 I207 L231L177-A229 HydrophobicContact CB-CB 4.33Å; L177-A229 PolarHBondContact N-O 3.38Å; L177-A229 PolarHBondContact O-N 3.15Å; M194-A229 HydrophobicContact CE-CB 3.41Å; M194-A229 VanDerWaalsContact CE-CB 3.41Å; M194-A229 HydrophobicContact SD-CB 4.27Å; M196-A229 HydrophobicContact SD-CB 3.97Å; I207-A229 HydrophobicContact CD1-CB 3.63Å; A229-L231 PolarHBondContact O-N 3.07Å
230C92.2Very high83.1Confident29 Ų2958.8 Ų58.820%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-65.4131.5173-60.70000112C121C121-C230 WeakPolarHBondContact CA-SG 3.38Å; C121-C230 HydrophobicContact CB-CB 4.39Å; C121-C230 WeakPolarHBondContact CB-SG 2.97Å; C121-C230 VanDerWaalsContact SG-CA 3.57Å; C121-C230 WeakPolarHBondContact SG-CB 2.87Å; C121-C230 CovalentContact SG-SG 2.03Å; C121-C230 PolarHBondContact SG-SG 2.83Å
231L90.7Very high83.3Confident6 Ų658 Ų583%0.03129%0.285CS..PPolyproline II helixtrans-82.9144.5166.2-55.4177.8000109.4F142 I172 N175 L177 M196 A229 Q233 I241 V267F142-L231 HydrophobicContact CB-CD1 3.72Å; F142-L231 HydrophobicContact CD2-CB 3.93Å; F142-L231 HydrophobicContact CD2-CD1 3.52Å; F142-L231 HydrophobicContact CD2-CG 4.35Å; F142-L231 HydrophobicContact CE2-CB 3.8Å; F142-L231 HydrophobicContact CE2-CD1 4.26Å; F142-L231 HydrophobicContact CG-CD1 3.73Å; F142-L231 HydrophobicContact CZ-CB 4.49Å; I172-L231 HydrophobicContact CD1-CD1 4.08Å; I172-L231 HydrophobicContact CG1-CD1 4.27Å; I172-L231 HydrophobicContact CG2-CD1 3.8Å; N175-L231 WeakPolarHBondContact O-CA 3.29Å; N175-L231 WeakPolarHBondContact O-CB 3.28Å; N175-L231 WeakPolarHBondContact O-CG 3.42Å; N175-L231 PolarHBondContact O-N 2.85Å; L177-L231 HydrophobicContact CB-CD2 4.2Å; M196-L231 HydrophobicContact CE-CD2 3.73Å; A229-L231 PolarHBondContact O-N 3.07Å; L231-Q233 PolarHBondContact O-N 2.9Å; L231-I241 HydrophobicContact CD2-CD1 4.41Å; L231-I241 HydrophobicContact CD2-CG2 4.48Å; L231-V267 HydrophobicContact CD1-CG1 4.18Å; L231-V267 HydrophobicContact CD2-CG1 4.35Å
232P86.3Confident83.5Confident30 Ų3055.5 Ų55.520%0.19527%0.271CS..PPolyproline II helixtrans-65.1135.5-179.527.1-36.5000110.7F198 I238 I241F198-P232 HydrophobicContact CD1-CG 3.78Å; F198-P232 HydrophobicContact CE1-CG 3.86Å; P232-I238 HydrophobicContact CB-CD1 3.79Å; P232-I238 HydrophobicContact CB-CG1 4.49Å; P232-I238 HydrophobicContact CG-CD1 3.34Å; P232-I238 HydrophobicContact CG-CG1 3.97Å; P232-I241 HydrophobicContact CG-CD1 4.14Å
233Q76.6Confident83.7Confident86 Ų8655.4 Ų55.440%0.40227%0.27SS..SBendtrans-83.3-31.9-175.3-65.3-175.7700113P140 L231P140-Q233 WeakPolarHBondContact CD-O 3.5Å; P140-Q233 VanDerWaalsContact CG-O 3.31Å; P140-Q233 WeakPolarHBondContact CG-O 3.45Å; L231-Q233 PolarHBondContact O-N 2.9Å
234I61.2Low83.8Confident144 Ų14455.1 Ų55.174%0.73827%0.269SS*.SBendtrans-151.4101.6-169.7-54.1174.5000109.6
235T59.6Low83.9Confident64 Ų6455 Ų5539%0.39327%0.269SS..  trans-163.4137.9153.8-20.50000113K237 R269T235-K237 HydrophobicContact CG2-CB 3.86Å; T235-K237 HydrophobicContact CG2-CG 4.18Å; T235-K237 PolarHBondContact O-N 3.22Å; T235-R269 PolarHBondContact O-NH2 3.33Å
236D56.3Low83.8Confident163 Ų16355.1 Ų55.187%0.87227%0.27SS*.THydrogen-bonded Turntrans-71.5-4.8167.8-54.9-43.7000112.9
237K62.1Low83.6Confident178 Ų17852.6 Ų52.677%0.77426%0.259SS*.THydrogen-bonded Turntrans-102.66.1-176.9-62.2-173.4176.9-174.30115.1T235 E239T235-K237 HydrophobicContact CG2-CB 3.86Å; T235-K237 HydrophobicContact CG2-CG 4.18Å; T235-K237 PolarHBondContact O-N 3.22Å; K237-E239 PolarHBondContact O-N 3.03Å
238I68.3Low83.2Confident27 Ų2753.8 Ų53.814%0.13827%0.268CS..  trans-77.695175.5-61154.6000107.6P232 I241P232-I238 HydrophobicContact CB-CD1 3.79Å; P232-I238 HydrophobicContact CB-CG1 4.49Å; P232-I238 HydrophobicContact CG-CD1 3.34Å; P232-I238 HydrophobicContact CG-CG1 3.97Å; I238-I241 HydrophobicContact CG2-CD1 3.97Å; I238-I241 HydrophobicContact CG2-CG1 3.49Å; I238-I241 VanDerWaalsContact CG2-CG1 3.49Å
239E66.4Low82.3Confident155 Ų15549.9 Ų49.972%0.72425%0.249SC*.  trans-72.1-45.9178.1-66.2-173.8167.100110.7K237K237-E239 PolarHBondContact O-N 3.03Å
240R80.3Confident81.3Confident108 Ų10851.2 Ų51.241%0.40826%0.264SS..BIsolated β-bridgetrans-162125.3-175.2-159.1166.4165.6171.4-26.7111.3F198 E242F198-R240 CarbonylContact C-O 3.47Å; F198-R240 VanDerWaalsContact C-O 3.24Å; F198-R240 WeakPolarHBondContact CA-O 3.3Å; R240-E242 HydrophobicContact CG-CG 3.76Å; R240-E242 IonicContact CZ-OE1 2.7Å; R240-E242 IonicContact NE-OE1 2.73Å; R240-E242 PolarHBondContact NE-OE1 3.01Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.47Å
241I92.1Very high79.9Confident3 Ų357.3 Ų57.32%0.01529%0.293CS..EExtended strand (participates in β ladder)trans-93.4114.9173.5-50-169.9000108F142 M196 T197 F198 L231 P232 I238 K266 V267F142-I241 HydrophobicContact CD1-CD1 4.06Å; F142-I241 HydrophobicContact CE1-CD1 3.51Å; F142-I241 HydrophobicContact CZ-CD1 3.97Å; M196-I241 HydrophobicContact CE-CG2 3.34Å; T197-I241 WeakPolarHBondContact O-CA 3.03Å; F198-I241 HydrophobicContact CD1-CB 4.39Å; F198-I241 HydrophobicContact CD1-CD1 4.14Å; F198-I241 HydrophobicContact CD1-CG1 3.95Å; F198-I241 HydrophobicContact CD1-CG2 3.95Å; F198-I241 HydrophobicContact CE1-CD1 4.35Å; F198-I241 HydrophobicContact CE1-CG2 3.9Å; L231-I241 HydrophobicContact CD2-CD1 4.41Å; L231-I241 HydrophobicContact CD2-CG2 4.48Å; P232-I241 HydrophobicContact CG-CD1 4.14Å; I238-I241 HydrophobicContact CG2-CD1 3.97Å; I238-I241 HydrophobicContact CG2-CG1 3.49Å; I238-I241 VanDerWaalsContact CG2-CG1 3.49Å; I241-K266 WeakPolarHBondContact O-CA 3.37Å; I241-V267 HydrophobicContact CB-CB 3.9Å; I241-V267 HydrophobicContact CD1-CG1 4.33Å; I241-V267 HydrophobicContact CG2-CB 3.91Å; I241-V267 HydrophobicContact CG2-CG2 4.35Å; I241-V267 PolarHBondContact O-N 3.26Å
242E95.1Very high78.8Confident11 Ų1158.3 Ų58.35%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-129.7150.4178.8-54.4-163.3127.700111.9M196 T197 W201 R240 N264 Y265 K266M196-E242 WeakPolarHBondContact CA-O 3.41Å; T197-E242 HydrophobicContact CG2-CB 3.93Å; T197-E242 PolarHBondContact N-O 2.99Å; T197-E242 PolarHBondContact O-N 3.02Å; T197-E242 VanDerWaalsContact O-N 3.1Å; W201-E242 HydrophobicContact CZ2-CB 4.11Å; W201-E242 PolarHBondContact NE1-OE2 3.44Å; R240-E242 HydrophobicContact CG-CG 3.76Å; R240-E242 IonicContact CZ-OE1 2.7Å; R240-E242 IonicContact NE-OE1 2.73Å; R240-E242 PolarHBondContact NE-OE1 3.01Å; R240-E242 IonicContact NH2-OE1 2.7Å; R240-E242 PolarHBondContact NH2-OE1 3.47Å; E242-N264 HydrophobicContact CB-CB 4.22Å; E242-Y265 CarbonylContact C-O 3.44Å; E242-Y265 VanDerWaalsContact CA-O 3.23Å; E242-Y265 WeakPolarHBondContact CA-O 3.26Å; E242-K266 HydrophobicContact CG-CG 4.34Å; E242-K266 WeakPolarHBondContact OE1-CE 3.33Å
243F96.9Very high77.8Confident0 Ų062.5 Ų62.50%033%0.331CS..EExtended strand (participates in β ladder)trans-150.6159.6174.466-79.5000113.6F146 M167 L177 M194 K195 M196 F245 Y265 V267F146-F243 HydrophobicContact CE1-CE1 4.02Å; F146-F243 AromaticContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CE1-CZ 3.96Å; F146-F243 HydrophobicContact CZ-CE1 4.31Å; F146-F243 AromaticContact CZ-CZ 3.8Å; F146-F243 HydrophobicContact CZ-CZ 3.8Å; M167-F243 HydrophobicContact CE-CE2 4.45Å; M167-F243 HydrophobicContact CE-CZ 4.47Å; M167-F243 HydrophobicContact SD-CE2 3.82Å; M167-F243 HydrophobicContact SD-CZ 4.26Å; L177-F243 HydrophobicContact CD2-CD1 4Å; L177-F243 HydrophobicContact CD2-CD2 4.47Å; L177-F243 HydrophobicContact CD2-CE1 3.61Å; L177-F243 HydrophobicContact CD2-CE2 4.1Å; L177-F243 HydrophobicContact CD2-CG 4.42Å; L177-F243 HydrophobicContact CD2-CZ 3.66Å; M194-F243 HydrophobicContact CE-CB 4.01Å; M194-F243 HydrophobicContact CE-CD2 4.25Å; M194-F243 HydrophobicContact CE-CG 4.14Å; M194-F243 HydrophobicContact CG-CB 4.26Å; M194-F243 HydrophobicContact CG-CD2 4.14Å; M194-F243 HydrophobicContact SD-CD2 4Å; M194-F243 HydrophobicContact SD-CG 4.47Å; K195-F243 CarbonylContact O-C 3.52Å; K195-F243 WeakPolarHBondContact O-CA 3.5Å; K195-F243 VanDerWaalsContact O-CB 3.22Å; K195-F243 WeakPolarHBondContact O-CB 3.13Å; M196-F243 HydrophobicContact CB-CB 4.16Å; M196-F243 HydrophobicContact CG-CB 4.19Å; F243-F245 AromaticContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CZ 4.07Å; F243-F245 AromaticContact CE2-CE2 3.73Å; F243-F245 HydrophobicContact CE2-CE2 3.73Å; F243-F245 AromaticContact CE2-CZ 3.94Å; F243-F245 HydrophobicContact CE2-CZ 3.94Å; F243-Y265 WeakPolarHBondContact CD1-O 3.27Å; F243-Y265 HydrophobicContact CD2-CD2 4.19Å; F243-Y265 HydrophobicContact CD2-CG 4.44Å; F243-Y265 AromaticContact CE2-CD2 3.95Å; F243-Y265 HydrophobicContact CE2-CD2 3.95Å; F243-Y265 AromaticContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CZ-CD2 4.47Å; F243-Y265 AromaticContact CZ-CG 3.99Å; F243-Y265 HydrophobicContact CZ-CG 3.99Å; F243-Y265 PolarHBondContact N-O 3.34Å; F243-Y265 PolarHBondContact O-N 3.08Å; F243-V267 HydrophobicContact CE1-CG2 3.99Å
244C97Very high78Confident1 Ų161.5 Ų61.51%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-146.3169.8173.268.80000110.4M194 K195 W201 D258 D259M194-C244 WeakPolarHBondContact CA-O 3.28Å; K195-C244 PolarHBondContact N-O 3.35Å; K195-C244 PolarHBondContact O-N 2.7Å; W201-C244 HydrophobicContact CH2-CB 4.35Å; W201-C244 VanDerWaalsContact CH2-SG 3.56Å; C244-D258 WeakPolarHBondContact CA-O 3.43Å; C244-D258 VanDerWaalsContact CB-O 3.3Å; C244-D258 WeakPolarHBondContact CB-O 3.49Å; C244-D259 HydrophobicContact CB-CB 4Å
245F97Very high79.3Confident0 Ų058.7 Ų58.70%032%0.32CS..EExtended strand (participates in β ladder)trans-113.9146.2178.2-62.9-90.8000111.3V165 M167 V181 V192 N193 M194 F227 F243 R257 D258 Y265V165-F245 HydrophobicContact CG2-CB 4.24Å; M167-F245 HydrophobicContact CB-CD2 4.22Å; M167-F245 HydrophobicContact CB-CE2 3.89Å; M167-F245 HydrophobicContact CG-CE2 3.92Å; M167-F245 HydrophobicContact CG-CZ 4.29Å; M167-F245 HydrophobicContact SD-CE2 3.5Å; M167-F245 VanDerWaalsContact SD-CE2 3.5Å; M167-F245 HydrophobicContact SD-CZ 3.86Å; V181-F245 HydrophobicContact CB-CD1 4.15Å; V181-F245 HydrophobicContact CB-CE1 4.22Å; V181-F245 HydrophobicContact CG1-CD1 4.15Å; V181-F245 HydrophobicContact CG1-CE1 4.28Å; V181-F245 HydrophobicContact CG2-CB 4.33Å; V181-F245 HydrophobicContact CG2-CD1 4.06Å; V181-F245 HydrophobicContact CG2-CG 4.04Å; V192-F245 HydrophobicContact CG1-CD1 4.48Å; N193-F245 WeakPolarHBondContact O-CA 3.37Å; M194-F245 HydrophobicContact CB-CD1 3.99Å; M194-F245 HydrophobicContact CB-CE1 3.73Å; M194-F245 HydrophobicContact CB-CZ 4.47Å; M194-F245 HydrophobicContact CG-CD1 4.46Å; M194-F245 HydrophobicContact CG-CE1 3.98Å; M194-F245 HydrophobicContact CG-CZ 4.22Å; M194-F245 HydrophobicContact SD-CE1 4.27Å; M194-F245 HydrophobicContact SD-CZ 4.23Å; F227-F245 HydrophobicContact CB-CE1 4.34Å; F227-F245 AromaticContact CD1-CE1 3.53Å; F227-F245 HydrophobicContact CD1-CE1 3.53Å; F227-F245 AromaticContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD1-CZ 3.64Å; F227-F245 HydrophobicContact CD2-CE1 4.49Å; F227-F245 HydrophobicContact CD2-CZ 4.35Å; F227-F245 AromaticContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE1 3.87Å; F227-F245 HydrophobicContact CE1-CE2 4.5Å; F227-F245 AromaticContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE1-CZ 3.47Å; F227-F245 VanDerWaalsContact CE1-CZ 3.47Å; F227-F245 HydrophobicContact CE2-CZ 4.2Å; F227-F245 AromaticContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CE1 3.88Å; F227-F245 HydrophobicContact CG-CZ 4.08Å; F227-F245 HydrophobicContact CZ-CE1 4.48Å; F227-F245 AromaticContact CZ-CZ 3.77Å; F227-F245 HydrophobicContact CZ-CZ 3.77Å; F243-F245 AromaticContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CE2 3.87Å; F243-F245 HydrophobicContact CD2-CZ 4.07Å; F243-F245 AromaticContact CE2-CE2 3.73Å; F243-F245 HydrophobicContact CE2-CE2 3.73Å; F243-F245 AromaticContact CE2-CZ 3.94Å; F243-F245 HydrophobicContact CE2-CZ 3.94Å; F245-R257 VanDerWaalsContact O-CA 3.28Å; F245-R257 WeakPolarHBondContact O-CA 3.25Å; F245-D258 HydrophobicContact CB-CB 4.37Å; F245-D258 PolarHBondContact N-O 3.07Å; F245-D258 PolarHBondContact O-N 3.06Å; F245-Y265 HydrophobicContact CD2-CD2 4.41Å; F245-Y265 HydrophobicContact CD2-CE2 4.11Å; F245-Y265 HydrophobicContact CE2-CD2 4.21Å; F245-Y265 HydrophobicContact CE2-CE2 4.15Å
246T95.3Very high80.8Confident11 Ų1156.9 Ų56.97%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-127.7133.7169.951.50000110.4V192 N193 K195 V255 H256 R257V192-T246 WeakPolarHBondContact CA-O 3.45Å; N193-T246 PolarHBondContact N-O 3.2Å; N193-T246 PolarHBondContact O-N 2.97Å; N193-T246 PolarHBondContact O-OG1 2.8Å; K195-T246 HydrophobicContact CD-CG2 4.03Å; T246-V255 HydrophobicContact CG2-CG1 3.98Å; T246-H256 CarbonylContact C-O 3.52Å; T246-H256 WeakPolarHBondContact CA-O 3.47Å; T246-R257 HydrophobicContact CG2-CB 4.47Å; T246-R257 HydrophobicContact CG2-CG 4.48Å
247S93.1Very high82.6Confident0 Ų055 Ų550%029%0.287CS..EExtended strand (participates in β ladder)trans-117.3128.5174.7167.90000109.5V183 T191 H256V183-S247 WeakPolarHBondContact CG1-OG 3.44Å; T191-S247 WeakPolarHBondContact O-CA 3.48Å; S247-H256 PolarHBondContact N-O 2.84Å; S247-H256 PolarHBondContact O-N 3.03Å
248S88.1Confident84.2Confident27 Ų2746.5 Ų46.519%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-120.8121171.947.80000109.7S190 T191 G250S190-S248 WeakPolarHBondContact CA-O 3.32Å; T191-S248 PolarHBondContact N-O 3.43Å; T191-S248 PolarHBondContact O-N 2.82Å; T191-S248 PolarHBondContact OG1-O 3.29Å; T191-S248 PolarHBondContact OG1-OG 2.61Å; S248-G250 PolarHBondContact O-N 2.62Å
249P77.6Confident85.4Confident1 Ų147 Ų471%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-78.299.2175.225-21.9000109.7C187 L251 S252 V254 Y302C187-P249 HydrophobicContact CB-CB 3.68Å; P249-L251 PolarHBondContact O-N 2.93Å; P249-S252 WeakPolarHBondContact O-CB 3.22Å; P249-S252 PolarHBondContact O-N 3.18Å; P249-V254 VanDerWaalsContact CD-O 3.26Å; P249-V254 WeakPolarHBondContact CD-O 3.32Å; P249-Y302 HydrophobicContact CG-CE2 4.38Å
250G74.4Confident86.6Confident32 Ų3239.7 Ų39.733%0.3322%0.219SC..THydrogen-bonded Turntrans50-124.4171.400000115K189 S248 S252K189-G250 WeakPolarHBondContact O-CA 3.42Å; K189-G250 PolarHBondContact O-N 2.94Å; S248-G250 PolarHBondContact O-N 2.62Å; G250-S252 PolarHBondContact O-N 2.83Å
251L64Low86.9Confident156 Ų15640.4 Ų40.482%0.81723%0.229SC*.THydrogen-bonded Turntrans-78.64.6-179.6-76.7103.1000114.4P249P249-L251 PolarHBondContact O-N 2.93Å
252S67.6Low86.8Confident28 Ų2842.7 Ų42.720%0.19625%0.253CS..  trans-73.9141.8177.9-171.80000111.5P249 G250 V254P249-S252 WeakPolarHBondContact O-CB 3.22Å; P249-S252 PolarHBondContact O-N 3.18Å; G250-S252 PolarHBondContact O-N 2.83Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact OG-N 3.39Å
253S64.3Low86.5Confident117 Ų11745 Ų4582%0.81826%0.264SS*.SBendtrans-77.6-11.2170.557.30000113.3V255S253-V255 PolarHBondContact O-N 3.19Å
254V81Confident86.4Confident65 Ų6546.1 Ų46.139%0.39427%0.27SS..  trans-80.7111.5-176.9-176.20000110P249 S252P249-V254 VanDerWaalsContact CD-O 3.26Å; P249-V254 WeakPolarHBondContact CD-O 3.32Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact OG-N 3.39Å
255V89Confident86.3Confident85 Ų8546.1 Ų46.152%0.51527%0.27SS..  trans-99.1120.9175.3-179.50000109.2T246 S253T246-V255 HydrophobicContact CG2-CG1 3.98Å; S253-V255 PolarHBondContact O-N 3.19Å
256H91.4Very high86.2Confident26 Ų2648 Ų4812%0.1228%0.278CS..EExtended strand (participates in β ladder)trans-86.8148.1171.4-55.185.4000109.5K163 C164 V165 T246 S247 Y302K163-H256 WeakPolarHBondContact O-CB 3.34Å; C164-H256 HydrophobicContact CB-CB 4.29Å; V165-H256 HydrophobicContact CG1-CB 3.78Å; T246-H256 CarbonylContact C-O 3.52Å; T246-H256 WeakPolarHBondContact CA-O 3.47Å; S247-H256 PolarHBondContact N-O 2.84Å; S247-H256 PolarHBondContact O-N 3.03Å; H256-Y302 AromaticContact CE1-CE2 3.32Å; H256-Y302 WeakPolarHBondContact CE1-CE2 2.77Å; H256-Y302 AromaticContact CE1-CZ 3.86Å; H256-Y302 AromaticContact NE2-CD2 3.95Å; H256-Y302 AromaticContact NE2-CE2 3.51Å
257R93.9Very high86.1Confident123 Ų12347.7 Ų47.746%0.46428%0.276SS..EExtended strand (participates in β ladder)trans-134.7135.5-177.1178-178-90.9176.8-6.4110.7F245 T246 D259F245-R257 VanDerWaalsContact O-CA 3.28Å; F245-R257 WeakPolarHBondContact O-CA 3.25Å; T246-R257 HydrophobicContact CG2-CB 4.47Å; T246-R257 HydrophobicContact CG2-CG 4.48Å; R257-D259 WeakPolarHBondContact CD-OD2 3.41Å; R257-D259 HydrophobicContact CG-CB 3.96Å
258D95.1Very high85.9Confident0 Ų050.7 Ų50.70%029%0.292CS..EExtended strand (participates in β ladder)trans-111.1100161.7176.417.9000108.7V165 Q166 M167 C244 F245 N260 Y265V165-D258 HydrophobicContact CG1-CB 4.13Å; V165-D258 HydrophobicContact CG2-CB 4.45Å; Q166-D258 WeakPolarHBondContact CA-OD2 3.38Å; Q166-D258 PolarHBondContact NE2-OD2 3.44Å; M167-D258 PolarHBondContact N-OD2 3.49Å; C244-D258 WeakPolarHBondContact CA-O 3.43Å; C244-D258 VanDerWaalsContact CB-O 3.3Å; C244-D258 WeakPolarHBondContact CB-O 3.49Å; F245-D258 HydrophobicContact CB-CB 4.37Å; F245-D258 PolarHBondContact N-O 3.07Å; F245-D258 PolarHBondContact O-N 3.06Å; D258-N260 PolarHBondContact OD1-N 3.37Å; D258-N260 VanDerWaalsContact OD1-N 3.1Å; D258-Y265 VanDerWaalsContact CG-OH 3.27Å; D258-Y265 PolarHBondContact OD1-OH 3.16Å; D258-Y265 WeakPolarHBondContact OD2-CE2 3.44Å; D258-Y265 PolarHBondContact OD2-OH 2.79Å
259D94.1Very high85.8Confident39 Ų3954 Ų5421%0.20930%0.3CS..  trans-111.123.9175.55914000112.2C244 R257 M261 G262 Q263 N264C244-D259 HydrophobicContact CB-CB 4Å; R257-D259 WeakPolarHBondContact CD-OD2 3.41Å; R257-D259 HydrophobicContact CG-CB 3.96Å; D259-M261 PolarHBondContact O-N 3.41Å; D259-M261 PolarHBondContact OD1-N 2.8Å; D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 VanDerWaalsContact O-N 3.15Å; D259-G262 PolarHBondContact OD1-N 2.85Å; D259-Q263 PolarHBondContact O-N 3.31Å; D259-N264 VanDerWaalsContact O-CA 3.26Å; D259-N264 WeakPolarHBondContact O-CA 3.36Å; D259-N264 PolarHBondContact O-N 2.9Å
260N91.6Very high86Confident0 Ų058 Ų580%032%0.319CS..THydrogen-bonded Turntrans52.252.8179179.939.9000112.1D258 G262 Q263 N264 Y265 F284 Y285D258-N260 PolarHBondContact OD1-N 3.37Å; D258-N260 VanDerWaalsContact OD1-N 3.1Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 3.11Å; N260-Q263 WeakPolarHBondContact O-CB 3.28Å; N260-Q263 PolarHBondContact O-N 3.08Å; N260-Q263 VanDerWaalsContact O-N 3.13Å; N260-N264 PolarHBondContact ND2-O 2.99Å; N260-Y265 HydrophobicContact CB-CD1 3.99Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 3.75Å; N260-Y265 HydrophobicContact CB-CE2 4.07Å; N260-Y265 HydrophobicContact CB-CG 4.27Å; N260-F284 WeakPolarHBondContact ND2-CD1 3.35Å; N260-F284 WeakPolarHBondContact ND2-CE1 3.17Å; N260-Y285 VanDerWaalsContact OD1-CE2 3.28Å; N260-Y285 WeakPolarHBondContact OD1-CE2 3.23Å
261M87.3Confident85.9Confident123 Ų12360.8 Ų60.861%0.60633%0.33SS*.THydrogen-bonded Turntrans59.638.7-178.5-51.9-62.5-60.900113.2K163 D259 Q263K163-M261 PolarHBondContact NZ-SD 2.69Å; D259-M261 PolarHBondContact O-N 3.41Å; D259-M261 PolarHBondContact OD1-N 2.8Å; M261-Q263 PolarHBondContact O-N 3.31Å
262G89.1Confident85.7Confident51 Ų5158.9 Ų58.953%0.52634%0.336SS..THydrogen-bonded Turntrans74.31.3-177.300000115.3D259 N260D259-G262 PolarHBondContact O-N 3.14Å; D259-G262 VanDerWaalsContact O-N 3.15Å; D259-G262 PolarHBondContact OD1-N 2.85Å; N260-G262 VanDerWaalsContact C-N 3.32Å; N260-G262 PolarHBondContact O-N 3.11Å
263Q89.7Confident85.2Confident59 Ų5961.5 Ų61.528%0.27637%0.368SS..THydrogen-bonded Turntrans-87.2-14.6177.4-63.7-170.875.900113.5D259 N260 M261 K266 Q283D259-Q263 PolarHBondContact O-N 3.31Å; N260-Q263 WeakPolarHBondContact O-CB 3.28Å; N260-Q263 PolarHBondContact O-N 3.08Å; N260-Q263 VanDerWaalsContact O-N 3.13Å; M261-Q263 PolarHBondContact O-N 3.31Å; Q263-K266 WeakPolarHBondContact O-CE 3.33Å; Q263-Q283 PolarHBondContact NE2-O 2.83Å
264N94.5Very high84.7Confident25 Ų2558.5 Ų58.513%0.13435%0.347CS..  trans56.9164.7-166.1-57.4-48000113W201 E242 D259 N260W201-N264 HydrophobicContact CZ2-CB 4.21Å; W201-N264 VanDerWaalsContact CZ2-CG 3.5Å; W201-N264 VanDerWaalsContact CZ2-ND2 3.32Å; W201-N264 WeakPolarHBondContact CZ2-ND2 3.33Å; W201-N264 PolarHBondContact NE1-ND2 3.24Å; E242-N264 HydrophobicContact CB-CB 4.22Å; D259-N264 VanDerWaalsContact O-CA 3.26Å; D259-N264 WeakPolarHBondContact O-CA 3.36Å; D259-N264 PolarHBondContact O-N 2.9Å; N260-N264 PolarHBondContact ND2-O 2.99Å
265Y95.3Very high83.4Confident0 Ų059.8 Ų59.80%036%0.359CS..EExtended strand (participates in β ladder)trans-84.6136.7168.3-62.4-72.8000109.2F146 P149 Q166 M167 E242 F243 F245 D258 N260 Y285F146-Y265 HydrophobicContact CD1-CD1 4.13Å; F146-Y265 AromaticContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CD1 3.78Å; F146-Y265 HydrophobicContact CD2-CE1 4.3Å; F146-Y265 HydrophobicContact CE1-CD1 4.16Å; F146-Y265 HydrophobicContact CE1-CG 4.41Å; F146-Y265 AromaticContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CD1 3.86Å; F146-Y265 HydrophobicContact CE2-CE1 4.44Å; F146-Y265 AromaticContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CG-CD1 3.96Å; F146-Y265 HydrophobicContact CZ-CD1 4.04Å; F146-Y265 HydrophobicContact CZ-CG 4.42Å; P149-Y265 HydrophobicContact CB-CE1 4.38Å; Q166-Y265 PolarHBondContact NE2-OH 3.26Å; Q166-Y265 VanDerWaalsContact NE2-OH 3.1Å; M167-Y265 HydrophobicContact CB-CE2 4.08Å; M167-Y265 WeakPolarHBondContact CB-OH 3.27Å; M167-Y265 HydrophobicContact CE-CD1 3.36Å; M167-Y265 HydrophobicContact CE-CD2 4.12Å; M167-Y265 HydrophobicContact CE-CE1 3.26Å; M167-Y265 HydrophobicContact CE-CE2 4.04Å; M167-Y265 HydrophobicContact CE-CG 3.78Å; M167-Y265 HydrophobicContact SD-CD2 4.48Å; M167-Y265 HydrophobicContact SD-CE2 4.4Å; E242-Y265 CarbonylContact C-O 3.44Å; E242-Y265 VanDerWaalsContact CA-O 3.23Å; E242-Y265 WeakPolarHBondContact CA-O 3.26Å; F243-Y265 WeakPolarHBondContact CD1-O 3.27Å; F243-Y265 HydrophobicContact CD2-CD2 4.19Å; F243-Y265 HydrophobicContact CD2-CG 4.44Å; F243-Y265 AromaticContact CE2-CD2 3.95Å; F243-Y265 HydrophobicContact CE2-CD2 3.95Å; F243-Y265 AromaticContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CE2-CG 3.94Å; F243-Y265 HydrophobicContact CZ-CD2 4.47Å; F243-Y265 AromaticContact CZ-CG 3.99Å; F243-Y265 HydrophobicContact CZ-CG 3.99Å; F243-Y265 PolarHBondContact N-O 3.34Å; F243-Y265 PolarHBondContact O-N 3.08Å; F245-Y265 HydrophobicContact CD2-CD2 4.41Å; F245-Y265 HydrophobicContact CD2-CE2 4.11Å; F245-Y265 HydrophobicContact CE2-CD2 4.21Å; F245-Y265 HydrophobicContact CE2-CE2 4.15Å; D258-Y265 VanDerWaalsContact CG-OH 3.27Å; D258-Y265 PolarHBondContact OD1-OH 3.16Å; D258-Y265 WeakPolarHBondContact OD2-CE2 3.44Å; D258-Y265 PolarHBondContact OD2-OH 2.79Å; N260-Y265 HydrophobicContact CB-CD1 3.99Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 3.75Å; N260-Y265 HydrophobicContact CB-CE2 4.07Å; N260-Y265 HydrophobicContact CB-CG 4.27Å; Y265-Y285 HydrophobicContact CE1-CE2 4.46Å; Y265-Y285 PolarHBondContact OH-OH 2.88Å
266K93.8Very high81.7Confident39 Ų3960 Ų6017%0.1736%0.362CS..EExtended strand (participates in β ladder)trans-119.8136-172.5-57.9178.5-163.4175.40110.9G145 F146 I241 E242 Q263G145-K266 WeakPolarHBondContact CA-O 3.39Å; G145-K266 PolarHBondContact N-O 3.34Å; F146-K266 VanDerWaalsContact CD1-O 3.25Å; F146-K266 WeakPolarHBondContact CD1-O 3.32Å; F146-K266 VanDerWaalsContact CE1-O 3.31Å; F146-K266 WeakPolarHBondContact CE1-O 3.44Å; I241-K266 WeakPolarHBondContact O-CA 3.37Å; E242-K266 HydrophobicContact CG-CG 4.34Å; E242-K266 WeakPolarHBondContact OE1-CE 3.33Å; Q263-K266 WeakPolarHBondContact O-CE 3.33Å
267V92.8Very high79.7Confident5 Ų561.7 Ų61.73%0.0338%0.376CS..EExtended strand (participates in β ladder)trans-106.7126.2167.1175.60000108.1F142 I172 L177 L231 I241 F243F142-V267 HydrophobicContact CB-CG1 3.73Å; F142-V267 HydrophobicContact CD1-CG1 3.86Å; F142-V267 HydrophobicContact CG-CG1 4.04Å; I172-V267 HydrophobicContact CD1-CG1 3.79Å; I172-V267 HydrophobicContact CD1-CG2 4.45Å; L177-V267 HydrophobicContact CD1-CG2 3.88Å; L177-V267 HydrophobicContact CD2-CG2 4.44Å; L231-V267 HydrophobicContact CD1-CG1 4.18Å; L231-V267 HydrophobicContact CD2-CG1 4.35Å; I241-V267 HydrophobicContact CB-CB 3.9Å; I241-V267 HydrophobicContact CD1-CG1 4.33Å; I241-V267 HydrophobicContact CG2-CB 3.91Å; I241-V267 HydrophobicContact CG2-CG2 4.35Å; I241-V267 PolarHBondContact O-N 3.26Å; F243-V267 HydrophobicContact CE1-CG2 3.99Å
268L89.4Confident77.6Confident63 Ų6364.2 Ų64.233%0.3339%0.391SS..EExtended strand (participates in β ladder)trans-103.9138.7-177.2-55.7-179.8000109.6F142 R143F142-L268 CarbonylContact C-O 3.6Å; F142-L268 WeakPolarHBondContact CA-O 3.35Å; R143-L268 HydrophobicContact CG-CB 4.1Å; R143-L268 PolarHBondContact N-O 3.1Å; R143-L268 PolarHBondContact O-N 3.22Å
269R85.4Confident75.4Confident96 Ų9669.9 Ų69.936%0.36242%0.421SS..EExtended strand (participates in β ladder)trans-72.7135.9167.5-170-177-66.6-167.8-1109P140 F142 T235 T271P140-R269 HydrophobicContact CB-CG 4.5Å; F142-R269 HydrophobicContact CD1-CB 4.42Å; F142-R269 HydrophobicContact CE1-CB 4.36Å; T235-R269 PolarHBondContact O-NH2 3.33Å; R269-T271 PolarHBondContact O-N 3.41Å
270E82.5Confident73.5Confident87 Ų8771.5 Ų71.541%0.40743%0.425SS..PPolyproline II helixtrans-75.9119.2169.4-62.1-171.2160.500108.9K141 R143K141-E270 HydrophobicContact CB-CB 3.96Å; K141-E270 HydrophobicContact CB-CG 4.1Å; K141-E270 VanDerWaalsContact CB-OE2 3.29Å; K141-E270 WeakPolarHBondContact CB-OE2 3.26Å; K141-E270 WeakPolarHBondContact CD-OE2 3.22Å; K141-E270 PolarHBondContact O-N 2.63Å; R143-E270 HydrophobicContact CB-CG 4.26Å; R143-E270 HydrophobicContact CG-CG 4.11Å
271T72.4Confident71.3Confident90 Ų9075.2 Ų75.255%0.55245%0.448SS*.PPolyproline II helixtrans-90.9136.3168.854.10000109.1R269 G273 S274R269-T271 PolarHBondContact O-N 3.41Å; T271-G273 PolarHBondContact O-N 2.75Å; T271-S274 PolarHBondContact O-N 3.03Å; T271-S274 VanDerWaalsContact O-N 3.11Å; T271-S274 PolarHBondContact O-OG 3.17Å; T271-S274 WeakPolarHBondContact OG1-CB 3.19Å; T271-S274 PolarHBondContact OG1-OG 2.79Å; T271-S274 VanDerWaalsContact OG1-OG 3.1Å
272A58.9Low69.3Low115 Ų11577 Ų7795%0.9545%0.452SS*.THydrogen-bonded Turntrans-57.9111.1174.400000109.1
273G58.1Low67.3Low84 Ų8480.7 Ų80.787%0.86646%0.456SS*.THydrogen-bonded Turntrans109.1-7.1179.300000115.9T271 S275T271-G273 PolarHBondContact O-N 2.75Å; G273-S275 PolarHBondContact O-N 2.97Å
274S52.6Low65.4Low54 Ų5478.6 Ų78.638%0.37845%0.446SS..  trans-81.4110.7170.264.80000110.2T271T271-S274 PolarHBondContact O-N 3.03Å; T271-S274 VanDerWaalsContact O-N 3.11Å; T271-S274 PolarHBondContact O-OG 3.17Å; T271-S274 WeakPolarHBondContact OG1-CB 3.19Å; T271-S274 PolarHBondContact OG1-OG 2.79Å; T271-S274 VanDerWaalsContact OG1-OG 3.1Å
275S54.8Low63.4Low92 Ų9279.1 Ų79.164%0.64345%0.446SS*.  trans-61.2151.5161.260.90000108.4G273 S277G273-S275 PolarHBondContact O-N 2.97Å; S275-S277 PolarHBondContact O-N 2.89Å
276P53.1Low60.9Low89 Ų8983.1 Ų83.158%0.57847%0.472SS*.  trans-64.389.917325.5-31.8000108.7K278P276-K278 PolarHBondContact O-N 3.47Å; P276-K278 VanDerWaalsContact O-N 3.08Å
277S49.8Very low58.5Low61 Ų6187.2 Ų87.243%0.42749%0.493SS..  trans-55.8118.4172.8175.70000107.6S275 D279 Y280S275-S277 PolarHBondContact O-N 2.89Å; S277-D279 PolarHBondContact O-N 3.25Å; S277-D279 VanDerWaalsContact O-N 3.17Å; S277-Y280 WeakPolarHBondContact O-CD1 3.33Å; S277-Y280 WeakPolarHBondContact O-CE1 3.46Å
278K50.3Low56.4Low176 Ų17689.3 Ų89.377%0.76550%0.504SS*.G310 helixtrans-72.90.3-175-67.7-179.9177.6177.20112.9P276 Y280 T281P276-K278 PolarHBondContact O-N 3.47Å; P276-K278 VanDerWaalsContact O-N 3.08Å; K278-Y280 PolarHBondContact O-N 3.08Å; K278-T281 PolarHBondContact O-N 3.11Å; K278-T281 PolarHBondContact O-OG1 3.45Å
279D47.1Very low54.4Low119 Ų11991.5 Ų91.564%0.63652%0.524SS*.G310 helixtrans-73.7-21.6-170.2-90.7-30.3000115.2S277 T281S277-D279 PolarHBondContact O-N 3.25Å; S277-D279 VanDerWaalsContact O-N 3.17Å; D279-T281 PolarHBondContact O-N 2.76Å
280Y54.7Low52.3Low74 Ų7494.7 Ų94.729%0.2954%0.541SS..G310 helixtrans-70.8-13.8178.163.8-90.8000113S277 K278 K282 F284S277-Y280 WeakPolarHBondContact O-CD1 3.33Å; S277-Y280 WeakPolarHBondContact O-CE1 3.46Å; K278-Y280 PolarHBondContact O-N 3.08Å; Y280-K282 PolarHBondContact O-N 3.47Å; Y280-F284 WeakPolarHBondContact O-CD2 3.38Å
281T46.3Very low50.4Low78 Ų7893.5 Ų93.548%0.47953%0.533SS..G310 helixtrans-68.9-17.2-177560000114.2K278 D279K278-T281 PolarHBondContact O-N 3.11Å; K278-T281 PolarHBondContact O-OG1 3.45Å; D279-T281 PolarHBondContact O-N 2.76Å
282K44.7Very low49.1Very low160 Ų16097.4 Ų97.470%0.69655%0.545SS*.G310 helixtrans-90.2-9.6-175.4-64.6-172.8-179.4177.30115.1Y280Y280-K282 PolarHBondContact O-N 3.47Å
283Q47.1Very low48.2Very low128 Ų12895.9 Ų95.960%0.59853%0.526SS*.SBendtrans-107.7-7.3-175.7-71-179.2-4.700114.3Q263Q263-Q283 PolarHBondContact NE2-O 2.83Å
284F50.1Low47.4Very low15 Ų1594.7 Ų94.77%0.06650%0.503CS..SBendtrans-112118.6-175.5-69.2-101.2000109G145 F146 P147 N260 Y280 P286G145-F284 VanDerWaalsContact O-CZ 3.3Å; G145-F284 WeakPolarHBondContact O-CZ 3.29Å; F146-F284 HydrophobicContact CB-CD1 3.5Å; F146-F284 VanDerWaalsContact CB-CD1 3.5Å; F146-F284 HydrophobicContact CB-CE1 3.49Å; F146-F284 VanDerWaalsContact CB-CE1 3.49Å; F146-F284 HydrophobicContact CB-CG 4.19Å; F146-F284 HydrophobicContact CB-CZ 4.16Å; P147-F284 HydrophobicContact CG-CB 3.51Å; P147-F284 HydrophobicContact CG-CG 4.34Å; N260-F284 WeakPolarHBondContact ND2-CD1 3.35Å; N260-F284 WeakPolarHBondContact ND2-CE1 3.17Å; Y280-F284 WeakPolarHBondContact O-CD2 3.38Å; F284-P286 VanDerWaalsContact C-N 3.35Å; F284-P286 WeakPolarHBondContact O-CD 3.23Å
285Y52.8Low46.9Very low37 Ų3799.2 Ų99.215%0.14553%0.528CS..SBendtrans51.732.8-178.1-61.3-78.5000117.4P149 Q166 N260 Y265 M287 L288P149-Y285 HydrophobicContact CB-CD2 4.47Å; P149-Y285 HydrophobicContact CB-CE2 3.73Å; Q166-Y285 PolarHBondContact NE2-OH 3.44Å; Q166-Y285 PolarHBondContact OE1-OH 3.13Å; N260-Y285 VanDerWaalsContact OD1-CE2 3.28Å; N260-Y285 WeakPolarHBondContact OD1-CE2 3.23Å; Y265-Y285 HydrophobicContact CE1-CE2 4.46Å; Y265-Y285 PolarHBondContact OH-OH 2.88Å; Y285-M287 PolarHBondContact O-N 3.49Å; Y285-M287 VanDerWaalsContact O-N 3.07Å; Y285-L288 HydrophobicContact CD1-CD1 3.48Å; Y285-L288 VanDerWaalsContact CD1-CD1 3.48Å; Y285-L288 HydrophobicContact CD1-CG 4.13Å; Y285-L288 HydrophobicContact CE1-CD1 4.33Å; Y285-L288 HydrophobicContact CG-CD1 3.95Å; Y285-L288 PolarHBondContact O-N 2.86Å
286P42.8Very low46.4Very low83 Ų83101 Ų10154%0.53952%0.521SS..THydrogen-bonded Turntrans-70.1-7.9-179.131.5-36000113.3F284F284-P286 VanDerWaalsContact C-N 3.35Å; F284-P286 WeakPolarHBondContact O-CD 3.23Å
287M42.6Very low46.3Very low126 Ų126101.5 Ų101.562%0.62152%0.524SS*.THydrogen-bonded Turntrans-100.4-6.7-176.8-129.9-157.2172.900115.4Y285 S289 K290 Y291Y285-M287 PolarHBondContact O-N 3.49Å; Y285-M287 VanDerWaalsContact O-N 3.07Å; M287-S289 PolarHBondContact O-N 2.94Å; M287-K290 CarbonylContact O-C 3.59Å; M287-K290 PolarHBondContact O-N 2.79Å; M287-Y291 PolarHBondContact O-N 3.33Å
288L49.9Very low46.4Very low49 Ų49105.1 Ų105.126%0.25753%0.534SS..G310 helixtrans-63.6-29.7-179.7-75.1171.9000112.4A155 Y285 K290A155-L288 HydrophobicContact CB-CB 3.88Å; A155-L288 HydrophobicContact CB-CD1 3.78Å; A155-L288 HydrophobicContact CB-CD2 4.07Å; A155-L288 HydrophobicContact CB-CG 4.1Å; Y285-L288 HydrophobicContact CD1-CD1 3.48Å; Y285-L288 VanDerWaalsContact CD1-CD1 3.48Å; Y285-L288 HydrophobicContact CD1-CG 4.13Å; Y285-L288 HydrophobicContact CE1-CD1 4.33Å; Y285-L288 HydrophobicContact CG-CD1 3.95Å; Y285-L288 PolarHBondContact O-N 2.86Å; L288-K290 PolarHBondContact O-N 2.77Å
289S45.4Very low46.5Very low108 Ų10898.9 Ų98.976%0.75551%0.507SS*.G310 helixtrans-76.1-7.1175.682.10000114.5M287M287-S289 PolarHBondContact O-N 2.94Å
290K43Very low46.9Very low164 Ų16497 Ų9771%0.71350%0.504SS*.G310 helixtrans-122.53.4179-67.1-174.9-178.6-178.90112.6M287 L288 Q292M287-K290 CarbonylContact O-C 3.59Å; M287-K290 PolarHBondContact O-N 2.79Å; L288-K290 PolarHBondContact O-N 2.77Å; K290-Q292 PolarHBondContact O-N 2.87Å; K290-Q292 VanDerWaalsContact O-N 3.11Å
291Y42.3Very low47Very low61 Ų6196.2 Ų96.224%0.23951%0.509CS..  trans-77.9100.8-175.5-167.7-95000109.4A158 E162 M287 P293 P294A158-Y291 HydrophobicContact CB-CD1 4.22Å; E162-Y291 PolarHBondContact OE1-OH 2.89Å; E162-Y291 PolarHBondContact OE2-OH 2.86Å; M287-Y291 PolarHBondContact O-N 3.33Å; Y291-P293 HydrophobicContact CE1-CB 4.05Å; Y291-P294 WeakPolarHBondContact OH-CD 3.15Å
292Q44.5Very low47.4Very low173 Ų17393.5 Ų93.581%0.80849%0.49SS*.PPolyproline II helixtrans-81.2125155.5-99.4-177.3-23.600107K290 P294K290-Q292 PolarHBondContact O-N 2.87Å; K290-Q292 VanDerWaalsContact O-N 3.11Å; Q292-P294 WeakPolarHBondContact O-CD 3.47Å; Q292-P294 VanDerWaalsContact O-N 3.14Å
293P39.7Very low48.1Very low83 Ų8389.3 Ų89.354%0.53948%0.475SS..PPolyproline II helixtrans-62.4118.517922.6-29.6000109.4Y291 V295Y291-P293 HydrophobicContact CE1-CB 4.05Å; P293-V295 PolarHBondContact O-N 3.28Å
294P41.4Very low48.6Very low59 Ų5991.4 Ų91.438%0.38348%0.477SS..PPolyproline II helixtrans-58.1130.4160.223.2-31000108.1Y291 Q292 Y296Y291-P294 WeakPolarHBondContact OH-CD 3.15Å; Q292-P294 WeakPolarHBondContact O-CD 3.47Å; Q292-P294 VanDerWaalsContact O-N 3.14Å; P294-Y296 HydrophobicContact CB-CD2 3.91Å; P294-Y296 HydrophobicContact CB-CE2 3.72Å; P294-Y296 HydrophobicContact CG-CD2 3.56Å; P294-Y296 HydrophobicContact CG-CE2 3.23Å; P294-Y296 PolarHBondContact O-N 3.44Å
295V42.6Very low48.9Very low149 Ų14994.7 Ų94.790%0.90350%0.496SS*.  trans-67.286.9174.1-178.80000107.7P293P293-V295 PolarHBondContact O-N 3.28Å
296Y45.2Very low49Very low130 Ų13093.4 Ų93.451%0.5149%0.492SS..  trans-84.1125.1175.7-85.5-70.8000110.1P294 Q298P294-Y296 HydrophobicContact CB-CD2 3.91Å; P294-Y296 HydrophobicContact CB-CE2 3.72Å; P294-Y296 HydrophobicContact CG-CD2 3.56Å; P294-Y296 HydrophobicContact CG-CE2 3.23Å; P294-Y296 PolarHBondContact O-N 3.44Å; Y296-Q298 PolarHBondContact O-N 3.45Å; Y296-Q298 VanDerWaalsContact O-N 3.12Å
297P50.3Low49.8Very low98 Ų9895.5 Ų95.564%0.63649%0.494SS*.THydrogen-bonded Turntrans-66.9-11.2175.324.8-31.6000113.4F299 S300 S301P297-F299 VanDerWaalsContact C-N 3.27Å; P297-F299 PolarHBondContact O-N 3.48Å; P297-S300 PolarHBondContact O-N 2.74Å; P297-S300 PolarHBondContact O-OG 2.83Å; P297-S301 PolarHBondContact O-N 2.82Å
298Q51.2Low50.5Low137 Ų13793.3 Ų93.364%0.6449%0.485SS*.Hα-helixtrans-59.8-35.5179.4-72-177.22.500112.3Y296 S300 S301 Y302Y296-Q298 PolarHBondContact O-N 3.45Å; Y296-Q298 VanDerWaalsContact O-N 3.12Å; Q298-S300 VanDerWaalsContact C-N 3.33Å; Q298-S300 PolarHBondContact O-N 2.79Å; Q298-S301 WeakPolarHBondContact CA-OG 3.44Å; Q298-S301 PolarHBondContact O-N 3.42Å; Q298-S301 PolarHBondContact O-OG 3.1Å; Q298-Y302 VanDerWaalsContact O-CB 3.27Å; Q298-Y302 WeakPolarHBondContact O-CB 3.27Å; Q298-Y302 PolarHBondContact O-N 2.93Å
299F52.6Low50.9Low45 Ų4593.6 Ų93.620%0.19749%0.487CS..Hα-helixtrans-64.2-37.5178.7-134-104.8000112.6Q161 F184 P297 Y302 L303Q161-F299 VanDerWaalsContact CA-CE2 3.48Å; Q161-F299 VanDerWaalsContact CA-CZ 3.47Å; Q161-F299 HydrophobicContact CB-CE2 4.45Å; Q161-F299 HydrophobicContact CB-CZ 4.26Å; Q161-F299 HydrophobicContact CG-CZ 4.41Å; Q161-F299 WeakPolarHBondContact O-CD2 3.49Å; Q161-F299 WeakPolarHBondContact O-CE2 3.32Å; F184-F299 HydrophobicContact CD1-CE1 4.24Å; F184-F299 AromaticContact CD1-CZ 3.7Å; F184-F299 HydrophobicContact CD1-CZ 3.7Å; F184-F299 AromaticContact CE1-CE1 3.77Å; F184-F299 HydrophobicContact CE1-CE1 3.77Å; F184-F299 AromaticContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CE1-CZ 3.72Å; F184-F299 HydrophobicContact CG-CZ 4.18Å; F184-F299 AromaticContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CE1 3.95Å; F184-F299 HydrophobicContact CZ-CZ 4.21Å; P297-F299 VanDerWaalsContact C-N 3.27Å; P297-F299 PolarHBondContact O-N 3.48Å; F299-Y302 PolarHBondContact O-N 3.44Å; F299-L303 HydrophobicContact CD1-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 2.82Å; F299-L303 PolarHBondContact O-N 2.79Å
300S55.5Low51.5Low81 Ų8191.5 Ų91.557%0.56647%0.469SS*.Hα-helixtrans-68.3-40.6175.183.10000112P297 Q298 Y302 R304P297-S300 PolarHBondContact O-N 2.74Å; P297-S300 PolarHBondContact O-OG 2.83Å; Q298-S300 VanDerWaalsContact C-N 3.33Å; Q298-S300 PolarHBondContact O-N 2.79Å; S300-Y302 VanDerWaalsContact C-N 3.28Å; S300-Y302 PolarHBondContact O-N 3.33Å; S300-R304 VanDerWaalsContact O-CB 3.28Å; S300-R304 WeakPolarHBondContact O-CB 3.11Å; S300-R304 PolarHBondContact O-N 3.46Å
301S56.5Low52.1Low57 Ų5790 Ų9040%0.39946%0.46SS..Hα-helixtrans-67.8-32.4177.170.70000111.9P297 Q298 N305P297-S301 PolarHBondContact O-N 2.82Å; Q298-S301 WeakPolarHBondContact CA-OG 3.44Å; Q298-S301 PolarHBondContact O-N 3.42Å; Q298-S301 PolarHBondContact O-OG 3.1Å; S301-N305 WeakPolarHBondContact O-CB 3.04Å; S301-N305 PolarHBondContact O-N 3.18Å; S301-N305 PolarHBondContact O-ND2 3.37Å
302Y55.7Low52.8Low20 Ų2091.7 Ų91.78%0.07847%0.473CS..Hα-helixtrans-69.9-50.1177.1177.5-103.7000111.8F184 S186 P249 H256 Q298 F299 S300 R304 N305 C306F184-Y302 HydrophobicContact CD1-CD1 4.47Å; F184-Y302 AromaticContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CD1-CE1 3.81Å; F184-Y302 HydrophobicContact CE1-CD1 4.34Å; F184-Y302 AromaticContact CE1-CE1 3.97Å; F184-Y302 HydrophobicContact CE1-CE1 3.97Å; S186-Y302 WeakPolarHBondContact CB-OH 3.32Å; S186-Y302 PolarHBondContact OG-OH 3.46Å; P249-Y302 HydrophobicContact CG-CE2 4.38Å; H256-Y302 AromaticContact CE1-CE2 3.32Å; H256-Y302 WeakPolarHBondContact CE1-CE2 2.77Å; H256-Y302 AromaticContact CE1-CZ 3.86Å; H256-Y302 AromaticContact NE2-CD2 3.95Å; H256-Y302 AromaticContact NE2-CE2 3.51Å; Q298-Y302 VanDerWaalsContact O-CB 3.27Å; Q298-Y302 WeakPolarHBondContact O-CB 3.27Å; Q298-Y302 PolarHBondContact O-N 2.93Å; F299-Y302 PolarHBondContact O-N 3.44Å; S300-Y302 VanDerWaalsContact C-N 3.28Å; S300-Y302 PolarHBondContact O-N 3.33Å; Y302-R304 VanDerWaalsContact C-N 3.25Å; Y302-R304 PolarHBondContact O-N 2.9Å; Y302-N305 PolarHBondContact O-N 2.88Å; Y302-C306 WeakPolarHBondContact O-CB 3.22Å; Y302-C306 PolarHBondContact O-N 3.39Å; Y302-C306 PolarHBondContact O-SG 2.97Å
303L59.8Low53.2Low72 Ų7287.3 Ų87.338%0.37745%0.452SS..Hα-helixtrans-56.5-43.4172.5-73.6171.8000110.7F184 F299 N305 C306 E307F184-L303 HydrophobicContact CE1-CD2 3.98Å; F184-L303 HydrophobicContact CZ-CD2 4.03Å; F299-L303 HydrophobicContact CD1-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 2.82Å; F299-L303 PolarHBondContact O-N 2.79Å; L303-N305 PolarHBondContact O-N 3.14Å; L303-C306 PolarHBondContact O-N 3.24Å; L303-E307 WeakPolarHBondContact O-CB 3.14Å; L303-E307 VanDerWaalsContact O-CG 3.31Å; L303-E307 WeakPolarHBondContact O-CG 3.15Å; L303-E307 PolarHBondContact O-N 3.45Å
304R56.9Low54.1Low173 Ų17386.3 Ų86.365%0.65345%0.447SS*.Hα-helixtrans-63.4-39.9177-161.7176.8-157.4-177.55.7113.3S300 Y302 N308S300-R304 VanDerWaalsContact O-CB 3.28Å; S300-R304 WeakPolarHBondContact O-CB 3.11Å; S300-R304 PolarHBondContact O-N 3.46Å; Y302-R304 VanDerWaalsContact C-N 3.25Å; Y302-R304 PolarHBondContact O-N 2.9Å; R304-N308 WeakPolarHBondContact O-CB 3.25Å; R304-N308 PolarHBondContact O-N 2.97Å; R304-N308 PolarHBondContact O-ND2 2.88Å; R304-N308 VanDerWaalsContact O-ND2 3.14Å
305N56.5Low54.5Low84 Ų8488 Ų8845%0.44945%0.45SS..Hα-helixtrans-68.8-37.6175.8-75.1-16.3000111.7S301 Y302 L303 N308 L309S301-N305 WeakPolarHBondContact O-CB 3.04Å; S301-N305 PolarHBondContact O-N 3.18Å; S301-N305 PolarHBondContact O-ND2 3.37Å; Y302-N305 PolarHBondContact O-N 2.88Å; L303-N305 PolarHBondContact O-N 3.14Å; N305-N308 PolarHBondContact O-N 3.4Å; N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.3Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å; N305-L309 PolarHBondContact O-N 2.75Å
306C55.1Low54.7Low10 Ų1086.6 Ų86.67%0.06844%0.437CS..Hα-helixtrans-66.9-45.4174.9-64.30000111S186 Y302 L303 N308 L309 T310S186-C306 WeakPolarHBondContact O-CB 3.31Å; Y302-C306 WeakPolarHBondContact O-CB 3.22Å; Y302-C306 PolarHBondContact O-N 3.39Å; Y302-C306 PolarHBondContact O-SG 2.97Å; L303-C306 PolarHBondContact O-N 3.24Å; C306-N308 VanDerWaalsContact C-N 3.34Å; C306-N308 PolarHBondContact O-N 2.85Å; C306-L309 PolarHBondContact O-N 3.22Å; C306-L309 VanDerWaalsContact O-N 3.1Å; C306-T310 PolarHBondContact O-N 3.4Å; C306-T310 PolarHBondContact O-OG1 3.33Å
307E59.3Low54.8Low126 Ų12685 Ų8559%0.58944%0.436SS*.Hα-helixtrans-56-47.3172.6-77.6177.5172.300111.2L303 L309 T310 Y311L303-E307 WeakPolarHBondContact O-CB 3.14Å; L303-E307 VanDerWaalsContact O-CG 3.31Å; L303-E307 WeakPolarHBondContact O-CG 3.15Å; L303-E307 PolarHBondContact O-N 3.45Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.27Å; E307-T310 VanDerWaalsContact CA-OG1 3.23Å; E307-T310 WeakPolarHBondContact CA-OG1 3.32Å; E307-T310 PolarHBondContact O-N 3.21Å; E307-T310 PolarHBondContact O-OG1 3.12Å; E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.91Å
308N58Low54.7Low80 Ų8083 Ų8343%0.42843%0.425SS..Hα-helixtrans-61.8-37.2175.6-75.4-29.1000112.5R304 N305 C306 Y311 L312R304-N308 WeakPolarHBondContact O-CB 3.25Å; R304-N308 PolarHBondContact O-N 2.97Å; R304-N308 PolarHBondContact O-ND2 2.88Å; R304-N308 VanDerWaalsContact O-ND2 3.14Å; N305-N308 PolarHBondContact O-N 3.4Å; C306-N308 VanDerWaalsContact C-N 3.34Å; C306-N308 PolarHBondContact O-N 2.85Å; N308-Y311 PolarHBondContact O-N 2.81Å; N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.19Å; N308-L312 VanDerWaalsContact O-CG 3.24Å; N308-L312 WeakPolarHBondContact O-CG 3.3Å; N308-L312 PolarHBondContact O-N 2.91Å
309L58Low54.5Low55 Ų5580.8 Ų80.829%0.28843%0.425SS..Hα-helixtrans-72-41.2176.1-75.1170.2000112N305 C306 E307 Y311 L312 H313N305-L309 WeakPolarHBondContact O-CB 3.49Å; N305-L309 VanDerWaalsContact O-CG 3.3Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å; N305-L309 PolarHBondContact O-N 2.75Å; C306-L309 PolarHBondContact O-N 3.22Å; C306-L309 VanDerWaalsContact O-N 3.1Å; E307-L309 VanDerWaalsContact C-N 3.33Å; E307-L309 PolarHBondContact O-N 3.27Å; L309-Y311 VanDerWaalsContact C-N 3.3Å; L309-L312 PolarHBondContact O-N 3.01Å; L309-H313 VanDerWaalsContact O-CB 3.23Å; L309-H313 WeakPolarHBondContact O-CB 3.47Å; L309-H313 PolarHBondContact O-N 3.05Å
310T58.3Low54.3Low64 Ų6480.6 Ų80.639%0.39344%0.435SS..Hα-helixtrans-64.6-36.4171.138.20000111.8C306 E307 S314C306-T310 PolarHBondContact O-N 3.4Å; C306-T310 PolarHBondContact O-OG1 3.33Å; E307-T310 VanDerWaalsContact CA-OG1 3.23Å; E307-T310 WeakPolarHBondContact CA-OG1 3.32Å; E307-T310 PolarHBondContact O-N 3.21Å; E307-T310 PolarHBondContact O-OG1 3.12Å; T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.31Å; T310-S314 PolarHBondContact O-N 3.06Å; T310-S314 PolarHBondContact O-OG 3.33Å
311Y55.3Low53.6Low133 Ų13386.5 Ų86.552%0.52245%0.451SS..Hα-helixtrans-66.1-49.3174.3-176.3-91.6000110.6E307 N308 L309 H313 S314 H315E307-Y311 WeakPolarHBondContact O-CB 3.31Å; E307-Y311 PolarHBondContact O-N 2.91Å; N308-Y311 PolarHBondContact O-N 2.81Å; L309-Y311 VanDerWaalsContact C-N 3.3Å; Y311-H313 PolarHBondContact O-N 3.07Å; Y311-S314 WeakPolarHBondContact CA-OG 3.38Å; Y311-S314 PolarHBondContact O-N 3.03Å; Y311-S314 PolarHBondContact O-OG 3.3Å; Y311-H315 AromaticContact CE1-CD2 3.38Å; Y311-H315 WeakPolarHBondContact CE1-CD2 3.37Å; Y311-H315 AromaticContact CE1-NE2 3.98Å; Y311-H315 AromaticContact CE2-CD2 3.92Å; Y311-H315 AromaticContact CZ-CD2 3.28Å; Y311-H315 AromaticContact CZ-NE2 3.58Å; Y311-H315 WeakPolarHBondContact O-CB 3.33Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact OH-CD2 3.07Å; Y311-H315 PolarHBondContact OH-NE2 3.33Å; Y311-H315 VanDerWaalsContact OH-NE2 3.07Å
312L56.3Low52.7Low97 Ų9793.4 Ų93.451%0.50847%0.468SS..Hα-helixtrans-62.1-42175.9-76.5171.6000111.8N308 L309 H315 L316N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.19Å; N308-L312 VanDerWaalsContact O-CG 3.24Å; N308-L312 WeakPolarHBondContact O-CG 3.3Å; N308-L312 PolarHBondContact O-N 2.91Å; L309-L312 PolarHBondContact O-N 3.01Å; L312-H315 PolarHBondContact O-N 3.26Å; L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CD1 3.09Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.37Å
313H53.6Low51.6Low81 Ų8197.5 Ų97.538%0.37550%0.5SS..Hα-helixtrans-64.3-43.2176.4-172.1-94.8000111.3K189 L309 Y311 L317K189-H313 PolarHBondContact NZ-NE2 2.9Å; L309-H313 VanDerWaalsContact O-CB 3.23Å; L309-H313 WeakPolarHBondContact O-CB 3.47Å; L309-H313 PolarHBondContact O-N 3.05Å; Y311-H313 PolarHBondContact O-N 3.07Å; H313-L317 WeakPolarHBondContact CE1-CD1 3.24Å; H313-L317 WeakPolarHBondContact ND1-CD1 3.38Å; H313-L317 VanDerWaalsContact O-CB 3.29Å; H313-L317 WeakPolarHBondContact O-CB 3.47Å; H313-L317 WeakPolarHBondContact O-CG 3.29Å; H313-L317 PolarHBondContact O-N 3.27Å
314S57.5Low50.5Low62 Ų6298.7 Ų98.743%0.43452%0.52SS..Hα-helixtrans-68.1-34.517559.30000112.8T310 Y311 S318T310-S314 VanDerWaalsContact O-CB 3.32Å; T310-S314 WeakPolarHBondContact O-CB 3.31Å; T310-S314 PolarHBondContact O-N 3.06Å; T310-S314 PolarHBondContact O-OG 3.33Å; Y311-S314 WeakPolarHBondContact CA-OG 3.38Å; Y311-S314 PolarHBondContact O-N 3.03Å; Y311-S314 PolarHBondContact O-OG 3.3Å; S314-S318 WeakPolarHBondContact O-CB 3.33Å; S314-S318 PolarHBondContact O-N 3.33Å
315H50.3Low49.4Very low95 Ų9598.2 Ų98.244%0.4453%0.529SS..Hα-helixtrans-70.9-40.8174.7-119.7-82.3000112.3Y311 L312 S318 S319Y311-H315 AromaticContact CE1-CD2 3.38Å; Y311-H315 WeakPolarHBondContact CE1-CD2 3.37Å; Y311-H315 AromaticContact CE1-NE2 3.98Å; Y311-H315 AromaticContact CE2-CD2 3.92Å; Y311-H315 AromaticContact CZ-CD2 3.28Å; Y311-H315 AromaticContact CZ-NE2 3.58Å; Y311-H315 WeakPolarHBondContact O-CB 3.33Å; Y311-H315 PolarHBondContact O-N 3.1Å; Y311-H315 PolarHBondContact OH-CD2 3.07Å; Y311-H315 PolarHBondContact OH-NE2 3.33Å; Y311-H315 VanDerWaalsContact OH-NE2 3.07Å; L312-H315 PolarHBondContact O-N 3.26Å; H315-S318 CarbonylContact O-C 3.45Å; H315-S318 PolarHBondContact O-N 3.05Å; H315-S318 VanDerWaalsContact O-N 3.13Å; H315-S319 VanDerWaalsContact O-CB 3.29Å; H315-S319 WeakPolarHBondContact O-CB 3.28Å; H315-S319 PolarHBondContact O-N 3.1Å; H315-S319 PolarHBondContact O-OG 3.1Å
316L46.2Very low48.4Very low119 Ų119105 Ų10562%0.62355%0.548SS*.Hα-helixtrans-67.9-38.9176.2-71.8168.6000111.5L312 S318 S319 G320L312-L316 VanDerWaalsContact O-CB 3.25Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CD1 3.09Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.37Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.19Å; L316-S319 PolarHBondContact O-N 3.13Å; L316-S319 PolarHBondContact O-OG 3.34Å; L316-G320 PolarHBondContact O-N 3.16Å; L316-G320 VanDerWaalsContact O-N 3.11Å
317L48.2Very low47.3Very low95 Ų95108.5 Ų108.550%0.49758%0.578SS.*Hα-helixtrans-70.2-22.5170-69.9175.1000112.9H313H313-L317 WeakPolarHBondContact CE1-CD1 3.24Å; H313-L317 WeakPolarHBondContact ND1-CD1 3.38Å; H313-L317 VanDerWaalsContact O-CB 3.29Å; H313-L317 WeakPolarHBondContact O-CB 3.47Å; H313-L317 WeakPolarHBondContact O-CG 3.29Å; H313-L317 PolarHBondContact O-N 3.27Å
318S47.4Very low46.3Very low56 Ų56108.2 Ų108.239%0.39259%0.587SS.*Hα-helixtrans-88.6-22.5175-170.30000113.1S314 H315 L316 R322S314-S318 WeakPolarHBondContact O-CB 3.33Å; S314-S318 PolarHBondContact O-N 3.33Å; H315-S318 CarbonylContact O-C 3.45Å; H315-S318 PolarHBondContact O-N 3.05Å; H315-S318 VanDerWaalsContact O-N 3.13Å; L316-S318 VanDerWaalsContact C-N 3.27Å; L316-S318 PolarHBondContact O-N 3.19Å; S318-R322 PolarHBondContact OG-NH2 3.34Å
319S46.8Very low45.1Very low92 Ų92111.4 Ų111.464%0.64360%0.603SS**Hα-helixtrans-100.1-1.1179.569.10000113.5H315 L316H315-S319 VanDerWaalsContact O-CB 3.29Å; H315-S319 WeakPolarHBondContact O-CB 3.28Å; H315-S319 PolarHBondContact O-N 3.1Å; H315-S319 PolarHBondContact O-OG 3.1Å; L316-S319 PolarHBondContact O-N 3.13Å; L316-S319 PolarHBondContact O-OG 3.34Å
320G48.7Very low43.9Very low40 Ų40114.7 Ų114.741%0.41263%0.629SS.*SBendtrans-149.2112.1171.400000110.1L316L316-G320 PolarHBondContact O-N 3.16Å; L316-G320 VanDerWaalsContact O-N 3.11Å
321F42Very low42.8Very low206 Ų206122.6 Ų122.690%0.90465%0.652SS**  trans50.591.5171.4-90.6-95.3000116.5S323F321-S323 PolarHBondContact O-N 3.26Å; F321-S323 VanDerWaalsContact O-N 3.08Å
322R37.2Very low41.7Very low202 Ų202125.1 Ų125.176%0.76267%0.671SS**  trans-75.191.3159.5-74.3-176.7-177.5-120.71.1109.7S318S318-R322 PolarHBondContact OG-NH2 3.34Å
323S32.5Very low40.8Very low106 Ų106128.8 Ų128.874%0.74171%0.714SS**  trans-83.5115.3155.8-173.40000108.2F321 I325F321-S323 PolarHBondContact O-N 3.26Å; F321-S323 VanDerWaalsContact O-N 3.08Å; S323-I325 PolarHBondContact O-N 3.35Å
324A36.9Very low40.1Very low97 Ų97131.2 Ų131.280%0.80273%0.731SS**  trans-87.9100.2179.700000109.9
325I32.5Very low39.2Very low162 Ų162134.8 Ų134.883%0.83175%0.747SS**  trans-100.1105.2156.6-60.1177000106.5S323S323-I325 PolarHBondContact O-N 3.35Å
326R35.8Very low38.6Very low228 Ų228137 Ų13786%0.8676%0.764SS**PPolyproline II helixtrans-97117.2175.9-152.9177.5-172.1-173.61.7107.5
327A33.1Very low38.2Very low83 Ų83138.1 Ų138.169%0.68677%0.773SS**PPolyproline II helixtrans-67.9156.3170.400000111
328P37.6Very low37.5Very low120 Ų120140.8 Ų140.878%0.77979%0.79SS**PPolyproline II helixtrans-82.5135.1-164.532.8-32.1000112.3
329L33.3Very low36.9Very low146 Ų146146.4 Ų146.476%0.76482%0.816SS**  trans-86.6107161.9-94.6142.8000107.9W331L329-W331 PolarHBondContact O-N 3.28Å
330C31.8Very low36.2Very low124 Ų124150.3 Ų150.384%0.83883%0.829SS**  trans-64.6124.2163.6-79.50000109.6
331W36.3Very low35.2Very low231 Ų231158.8 Ų158.888%0.87586%0.861SS**  trans-98.8129.8157.6-78.655.4000107.8L329L329-W331 PolarHBondContact O-N 3.28Å
332M32Very low34.7Very low186 Ų186154.8 Ų154.892%0.91686%0.857SS**  trans-148.6112.3147.1-77.1-159.6-179.100105.1
333A36.9Very low34.4Very low173 Ų173150.5 Ų150.5100%1.4387%0.866SS**  79.1091.400000111.3

Retrieved 333 of 333 residues in 234.7 ms (Link to these results)