A0A096LWC4_POEFO Loading...

Pleiomorphic adenoma gene-like 2

AlphaFold DB , UniProt , Accession A0A096LWC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 599 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.4Very low32.4Very low252 Ų252122.6 Ų122.6100%1.24181%0.813SS**  0132.50-62.5168.2178.300107.1
2A34Very low32Very low104 Ų104124.5 Ų124.586%0.8681%0.807SS**  cis-145.4173.2-12.700000108.3
3A30.8Very low31.6Very low96 Ų96124.5 Ų124.579%0.79380%0.804SS**  trans-129.6155-176.300000112.3
4A34.3Very low31.4Very low105 Ų105121.6 Ų121.687%0.86880%0.796SS**  trans53.1119.7150.500000121.5
5A32.4Very low31.1Very low92 Ų92124.9 Ų124.976%0.7680%0.803SS**  trans-154.7146.3138.800000106.2
6A35.3Very low31.3Very low90 Ų90124.6 Ų124.674%0.74480%0.798SS**  cis68.6133.134.700000112.4
7D32Very low32.5Very low158 Ų158123 Ų12385%0.84579%0.789SS**  cis-153-156.1-1.9-146.9-57.6000110.2
8A29.8Very low32.5Very low80 Ų80125.3 Ų125.366%0.66179%0.788SS**  trans-65.1-176.9175.600000114.3
9S31.8Very low32.7Very low88 Ų88127.8 Ų127.862%0.61579%0.789SS**  cis-163.1-179.412.1-152.60000113.3
10H32.9Very low32.7Very low171 Ų171129 Ų12979%0.79279%0.785SS**  trans25.2135.6156.7-53.5-33.8000123.6
11C27.1Very low32.9Very low113 Ų113126.1 Ų126.176%0.76478%0.781SS**  178.5129.7121.5-96.70000109.8
12I27.7Very low33Very low145 Ų145122.9 Ų122.974%0.74476%0.755SS**  86.799.769.7-71.2177.6000114.1
13T27.7Very low33.1Very low125 Ų125127.8 Ų127.877%0.76775%0.751SS**  trans67.2107.9133.5-52.10000122.8
14A28.4Very low33.1Very low84 Ų84129 Ų12969%0.69475%0.749SS**  trans58.6141136.200000122.9
15L26.3Very low32.9Very low170 Ų170128.3 Ų128.389%0.8974%0.743SS**  -156.6163.4112-101.6168.1000110.6
16T35.4Very low32.8Very low120 Ų120128.6 Ų128.674%0.73675%0.746SS**  trans-117.8-168.2-172.554.20000109.7
17P50.7Low32.7Very low98 Ų98133.5 Ų133.564%0.63675%0.75SS**  cis-128.5-157.5-1.930.4-3.7000111.5
18E32.9Very low32.6Very low165 Ų165132.6 Ų132.677%0.77174%0.744SS**  cis-130-152.67.6-72.5-69.13.100108.8
19E36.4Very low32.5Very low172 Ų172138.4 Ų138.480%0.80476%0.755SS**  cis-154.1-119.84-156179.5-160.200112.7
20E32.3Very low32.3Very low152 Ų152137.9 Ų137.971%0.7176%0.764SS**  trans-80.1158.1-174.1-62.1-159.8102.100113.7
21G36.9Very low32.4Very low68 Ų68136 Ų13670%0.70177%0.77SS**  cis127139.98.900000110.4
22R38.6Very low32.4Very low184 Ų184135.6 Ų135.669%0.69478%0.775SS**  cis-163.1151.211.1-90.8176.3179.8157.84.6111.4
23R34.6Very low32.8Very low207 Ų207133.3 Ų133.378%0.78178%0.777SS**  trans68.6146.4148.7-65.6165.8-175.6178.40.7118.3
24T30.5Very low33.2Very low123 Ų123133.4 Ų133.476%0.75578%0.78SS**  cis-157.8154.9-6.56.80000113.7
25A30.5Very low33.3Very low90 Ų90137.2 Ų137.274%0.74479%0.788SS**  trans2.6157138.700000121.6
26A29.8Very low34.3Very low98 Ų98134.3 Ų134.381%0.8178%0.779SS**  cis-169.9173.6-12.700000112.1
27K34.3Very low34.2Very low193 Ų193139.9 Ų139.984%0.83979%0.787SS**  trans-57.4135.1175.4-179-175.8-172.4176.30114.6
28L29.3Very low33.5Very low138 Ų138141.7 Ų141.772%0.72380%0.796SS**  trans165.5156.1132.2-91.7165.5000115.5
29F29.2Very low33.5Very low202 Ų202142.3 Ų142.389%0.88680%0.799SS**  trans61.4150.8162.8-70.5-67.1000122
30G27.2Very low33.4Very low77 Ų77144.3 Ų144.379%0.79480%0.799SS**  trans130.899.6155.500000116.5
31S34Very low33.6Very low133 Ų133143 Ų14393%0.9379%0.793SS**  trans-97.4132.6163.5-610000110.3
32A27.2Very low33.7Very low104 Ų104149.1 Ų149.186%0.8680%0.795SS**  trans-154.3142.2165.300000110.8
33A37.2Very low33.4Very low97 Ų97146.2 Ų146.280%0.80279%0.793SS**  trans-102.4148.3175.600000111.1
34P34.4Very low33.3Very low126 Ų126148.2 Ų148.282%0.81880%0.801SS**  trans-101122.3172.611.98.1000112.8
35L31.5Very low33.4Very low165 Ų165146 Ų14686%0.86480%0.802SS**  trans-142.7163.9158.9-71.3179000107.3
36P46.4Very low33.7Very low109 Ų109151.7 Ų151.771%0.70881%0.81SS**  cis-129.4174.3-4738.2-25.3000110.8
37R34.4Very low34Very low237 Ų237156.2 Ų156.289%0.89481%0.814SS**  trans-140.598.8160.8-86.9-162.2169.8173.5-2.9114.1
38T35.5Very low34Very low135 Ų135157.6 Ų157.683%0.82881%0.814SS**  trans52.8135.3133.655.10000121.4
39E33Very low34.8Very low178 Ų178159 Ų15983%0.83282%0.817SS**  trans-92.8-171.9-175.3-50.2159.696.400113.9
40R35.3Very low35.4Very low215 Ų215158.4 Ų158.481%0.81182%0.817SS**  trans82.2136165.8-64.5-164176.2-178.5-1116.8
41E36.8Very low35.9Very low124 Ų124164.8 Ų164.858%0.57983%0.826SS**  cis-144.2143.5-3.6-110.9-176.4134.600107.7
42R37.3Very low35.9Very low197 Ų197161.8 Ų161.874%0.74382%0.816SS**  70.9140.474.8-161-162.3177.5170.35.5111.8
43D33.5Very low36.8Very low122 Ų122165.8 Ų165.865%0.65282%0.817SS**  cis-147.1133.915.2-149.1-58.1000111.8
44R32.6Very low37Very low250 Ų250171.6 Ų171.694%0.94382%0.824SS**  trans-177.8137.3138.1-122.7177.5162148.5-4.3113
45G32.1Very low37.6Very low76 Ų76172.3 Ų172.378%0.78483%0.826SS**  trans99.787.8163.900000115
46K37.5Very low38.4Very low210 Ų210167.9 Ų167.991%0.91382%0.82SS**  trans-126.464.8172.5-165.8-157.1171.4-176.90112
47E35.3Very low38.4Very low192 Ų192174 Ų17490%0.89783%0.829SS**  trans-144.9135.7165.5-65.4-175.9-163.900107.2
48R34.6Very low39Very low223 Ų223167.6 Ų167.684%0.84283%0.827SS**  cis-154.3165.9-15.3-173.1170.4175.7-175.8-3.3107.5
49E45.7Very low39.9Very low167 Ų167166.1 Ų166.178%0.7882%0.822SS**  trans-59.4144.8-175.7-56.8109.3147.400114.5
50E42.4Very low41Very low190 Ų190160.2 Ų160.289%0.88881%0.809SS**  trans140.643.2154.8-74.8-149.213400117.1
51E36.8Very low42.6Very low211 Ų211152 Ų15299%0.98678%0.781SS**  trans-126.980.8157.2-74.8-151136.600112.5
52G35.1Very low44.5Very low69 Ų69150.8 Ų150.871%0.71178%0.776SS**  trans-134.3143.617000000111.7
53E46.3Very low46.5Very low188 Ų188141.4 Ų141.488%0.87974%0.741SS**  trans41.888.9167.7-68.7-170.578.400119.1
54K39.9Very low48.6Very low219 Ų219143.4 Ų143.495%0.95275%0.75SS**  trans-127.943.1147.4-73.7-172.2179.8156.20113.9
55V48.3Very low50.7Low141 Ų141135.9 Ų135.986%0.85573%0.732SS**SBendtrans-99.8130.7159.9176.30000108.7
56G48.7Very low52.9Low72 Ų72135.6 Ų135.674%0.74272%0.717SS**SBendtrans90.247.4154.800000119.3
57R45.7Very low54.9Low237 Ų237128.1 Ų128.189%0.89470%0.7SS**  trans-141.444.7155.4-132.8170.8-167.7167.54.7116.9S59R57-S59 PolarHBondContact O-N 3.22Å; R57-S59 VanDerWaalsContact O-N 3.08Å
58A46.3Very low57Low103 Ų103120.4 Ų120.485%0.85167%0.669SS**  trans-72.491.3158.200000109.5G60A58-G60 PolarHBondContact O-N 3.05Å; A58-G60 VanDerWaalsContact O-N 3.1Å
59S54.3Low59.3Low104 Ų104116.1 Ų116.173%0.72766%0.662SS**  trans-55.1116.7171.4-660000109.5R57 N61R57-S59 PolarHBondContact O-N 3.22Å; R57-S59 VanDerWaalsContact O-N 3.08Å; S59-N61 PolarHBondContact O-N 3.41Å
60G56.3Low60.9Low55 Ų55110.7 Ų110.757%0.56764%0.636SS**  trans-63.3127.5-169.600000112.3A58 E62A58-G60 PolarHBondContact O-N 3.05Å; A58-G60 VanDerWaalsContact O-N 3.1Å; G60-E62 PolarHBondContact O-N 2.96Å
61N68.1Low62.7Low41 Ų41107.8 Ų107.822%0.21963%0.631CS.*EExtended strand (participates in β ladder)trans-77.661.7162.6-44.4-89.7000108.7S59 F70 Q73 L76S59-N61 PolarHBondContact O-N 3.41Å; N61-F70 HydrophobicContact CB-CB 4.13Å; N61-F70 WeakPolarHBondContact CB-O 3.49Å; N61-F70 PolarHBondContact ND2-O 2.73Å; N61-F70 WeakPolarHBondContact O-CB 3.32Å; N61-F70 WeakPolarHBondContact O-CD2 3.4Å; N61-F70 PolarHBondContact O-N 3.2Å; N61-Q73 VanDerWaalsContact OD1-CA 3.27Å; N61-Q73 WeakPolarHBondContact OD1-CA 3.37Å; N61-Q73 WeakPolarHBondContact OD1-CB 3.28Å; N61-Q73 PolarHBondContact OD1-N 3.17Å; N61-L76 HydrophobicContact CB-CB 4.05Å; N61-L76 HydrophobicContact CB-CD2 3.95Å
62E77.4Confident64.9Low99 Ų99100.3 Ų100.346%0.46360%0.6SS.*EExtended strand (participates in β ladder)trans-85.3146.317971.1-177179.400111.8G60 L64 A68 L69 L76G60-E62 PolarHBondContact O-N 2.96Å; E62-L64 HydrophobicContact CG-CD2 4.41Å; E62-L64 PolarHBondContact O-N 3.13Å; E62-A68 CarbonylContact C-O 3.54Å; E62-A68 WeakPolarHBondContact CA-O 3.33Å; E62-L69 HydrophobicContact CB-CD2 3.56Å; E62-L76 WeakPolarHBondContact O-CD1 3.5Å
63C79.1Confident67.1Low1 Ų1102.7 Ų102.71%0.00759%0.592CS.*  trans-86.8108.2173-168.80000111V65 C66 G67 A68 F70 L76 H79 H83C63-V65 PolarHBondContact O-N 3.34Å; C63-C66 PolarHBondContact O-N 3.3Å; C63-G67 PolarHBondContact O-N 3.44Å; C63-A68 HydrophobicContact CB-CB 4.32Å; C63-A68 PolarHBondContact N-O 3.46Å; C63-F70 HydrophobicContact CB-CE2 4.29Å; C63-L76 HydrophobicContact CB-CD1 3.81Å; C63-H79 PolarHBondContact SG-CD2 3.34Å; C63-H79 PolarHBondContact SG-NE2 3.47Å; C63-H83 VanDerWaalsContact SG-CD2 3.56Å
64L77.6Confident68.5Low163 Ų163100 Ų10085%0.85358%0.58SS**THydrogen-bonded Turntrans-55.1-12.4175.6-54.7178.6000114.7E62E62-L64 HydrophobicContact CG-CD2 4.41Å; E62-L64 PolarHBondContact O-N 3.13Å
65V76.6Confident70.1Confident93 Ų9394.8 Ų94.856%0.56456%0.557SS**THydrogen-bonded Turntrans-94.9-20.4178.4-171.80000112.8C63 H83C63-V65 PolarHBondContact O-N 3.34Å; V65-H83 HydrophobicContact CG1-CB 4.11Å; V65-H83 HydrophobicContact CG2-CB 4.42Å
66C79.6Confident71.6Confident69 Ų6989.4 Ų89.447%0.46652%0.523SS..THydrogen-bonded Turntrans-155.314.8-176.475.20000116.5C63 A68 H79C63-C66 PolarHBondContact O-N 3.3Å; C66-A68 PolarHBondContact O-N 3.48Å; C66-A68 VanDerWaalsContact O-N 3.08Å; C66-H79 PolarHBondContact SG-NE2 2.89Å
67G78.3Confident72.8Confident53 Ų5394.2 Ų94.255%0.54652%0.519SS..  trans675.2177.900000116C63 L69C63-G67 PolarHBondContact O-N 3.44Å; G67-L69 PolarHBondContact O-N 2.75Å
68A78.8Confident74.2Confident31 Ų3185.1 Ų85.126%0.25649%0.488SS..  trans-71.2118.7-17500000111.4E62 C63 C66 F70E62-A68 CarbonylContact C-O 3.54Å; E62-A68 WeakPolarHBondContact CA-O 3.33Å; C63-A68 HydrophobicContact CB-CB 4.32Å; C63-A68 PolarHBondContact N-O 3.46Å; C66-A68 PolarHBondContact O-N 3.48Å; C66-A68 VanDerWaalsContact O-N 3.08Å; A68-F70 HydrophobicContact CB-CE2 3.67Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; A68-F70 VanDerWaalsContact O-CD2 3.24Å; A68-F70 WeakPolarHBondContact O-CD2 3.42Å; A68-F70 VanDerWaalsContact O-CE2 3.23Å; A68-F70 WeakPolarHBondContact O-CE2 3.26Å
69L83.3Confident75.6Confident132 Ų13282.1 Ų82.169%0.69146%0.456SS*.EExtended strand (participates in β ladder)trans-81133.7177.8-56.5-176.8000111.5E62 G67E62-L69 HydrophobicContact CB-CD2 3.56Å; G67-L69 PolarHBondContact O-N 2.75Å
70F80.6Confident76.5Confident53 Ų5379.4 Ų79.423%0.23244%0.435CS..EExtended strand (participates in β ladder)trans-121144.9175.9-63.5-83.8000112.7N61 C63 A68 T72 K75 L76 H79N61-F70 HydrophobicContact CB-CB 4.13Å; N61-F70 WeakPolarHBondContact CB-O 3.49Å; N61-F70 PolarHBondContact ND2-O 2.73Å; N61-F70 WeakPolarHBondContact O-CB 3.32Å; N61-F70 WeakPolarHBondContact O-CD2 3.4Å; N61-F70 PolarHBondContact O-N 3.2Å; C63-F70 HydrophobicContact CB-CE2 4.29Å; A68-F70 HydrophobicContact CB-CE2 3.67Å; A68-F70 HydrophobicContact CB-CZ 3.91Å; A68-F70 VanDerWaalsContact O-CD2 3.24Å; A68-F70 WeakPolarHBondContact O-CD2 3.42Å; A68-F70 VanDerWaalsContact O-CE2 3.23Å; A68-F70 WeakPolarHBondContact O-CE2 3.26Å; F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.87Å; F70-K75 HydrophobicContact CB-CB 4.2Å; F70-K75 HydrophobicContact CD1-CB 3.89Å; F70-K75 HydrophobicContact CG-CB 4.31Å; F70-L76 HydrophobicContact CB-CB 4.24Å; F70-L76 HydrophobicContact CD2-CB 4.03Å; F70-L76 HydrophobicContact CD2-CD1 3.89Å; F70-L76 HydrophobicContact CE2-CD1 4.22Å; F70-L76 HydrophobicContact CG-CB 4.32Å; F70-H79 HydrophobicContact CE1-CB 4.12Å; F70-H79 HydrophobicContact CE2-CB 3.9Å; F70-H79 AromaticContact CE2-CD2 3.44Å; F70-H79 VanDerWaalsContact CE2-CD2 3.44Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.42Å; F70-H79 AromaticContact CE2-CG 3.64Å; F70-H79 HydrophobicContact CZ-CB 3.53Å; F70-H79 AromaticContact CZ-CD2 3.59Å; F70-H79 AromaticContact CZ-CG 3.31Å; F70-H79 AromaticContact CZ-ND1 3.73Å
71V79.9Confident77.1Confident130 Ų13077.5 Ų77.579%0.78841%0.413SS*.SBendtrans-71.5-23177.1-175.10000112.2
72T82.1Confident77.2Confident53 Ų5378.9 Ų78.933%0.32543%0.426SS..SBendtrans-140148178.467.90000112.6F70 E74 K75 L76F70-T72 VanDerWaalsContact C-N 3.29Å; F70-T72 PolarHBondContact O-N 2.87Å; T72-E74 PolarHBondContact O-N 3.46Å; T72-K75 PolarHBondContact O-N 2.91Å; T72-K75 VanDerWaalsContact O-N 3.09Å; T72-K75 WeakPolarHBondContact OG1-CD 3.37Å; T72-K75 WeakPolarHBondContact OG1-CG 3.49Å; T72-K75 PolarHBondContact OG1-N 3.46Å; T72-L76 PolarHBondContact O-N 3.37Å; T72-L76 VanDerWaalsContact O-N 3.12Å
73Q81.2Confident76.8Confident120 Ų12077.9 Ų77.956%0.56142%0.421SS*.Hα-helixtrans-61.9-30.5179.3-158.5-168.647.300112.8N61 L76 R77N61-Q73 VanDerWaalsContact OD1-CA 3.27Å; N61-Q73 WeakPolarHBondContact OD1-CA 3.37Å; N61-Q73 WeakPolarHBondContact OD1-CB 3.28Å; N61-Q73 PolarHBondContact OD1-N 3.17Å; Q73-L76 PolarHBondContact O-N 2.81Å; Q73-R77 PolarHBondContact O-N 3.44Å
74E76.3Confident76.1Confident132 Ų13281.6 Ų81.662%0.61744%0.444SS*.Hα-helixtrans-64-46172.9-165.9-156.8176.600111.1T72 L76 R77 L78T72-E74 PolarHBondContact O-N 3.46Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; E74-R77 PolarHBondContact O-N 3.24Å; E74-R77 VanDerWaalsContact O-N 3.14Å; E74-L78 HydrophobicContact CG-CD1 4.18Å; E74-L78 HydrophobicContact CG-CG 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 2.85Å
75K74.1Confident75.5Confident109 Ų10975.4 Ų75.447%0.47442%0.419SS..Hα-helixtrans-62.2-38.4177.5-70.8168-172.9165.90111.1F70 T72 L78 H79F70-K75 HydrophobicContact CB-CB 4.2Å; F70-K75 HydrophobicContact CD1-CB 3.89Å; F70-K75 HydrophobicContact CG-CB 4.31Å; T72-K75 PolarHBondContact O-N 2.91Å; T72-K75 VanDerWaalsContact O-N 3.09Å; T72-K75 WeakPolarHBondContact OG1-CD 3.37Å; T72-K75 WeakPolarHBondContact OG1-CG 3.49Å; T72-K75 PolarHBondContact OG1-N 3.46Å; K75-L78 PolarHBondContact O-N 3.45Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 3.09Å; K75-H79 VanDerWaalsContact O-N 3.11Å
76L79.3Confident74.9Confident27 Ų2776.7 Ų76.714%0.14142%0.419CS..Hα-helixtrans-59.8-53169.9173.761.4000111.4N61 E62 C63 F70 T72 Q73 E74 L78 H79 T80N61-L76 HydrophobicContact CB-CB 4.05Å; N61-L76 HydrophobicContact CB-CD2 3.95Å; E62-L76 WeakPolarHBondContact O-CD1 3.5Å; C63-L76 HydrophobicContact CB-CD1 3.81Å; F70-L76 HydrophobicContact CB-CB 4.24Å; F70-L76 HydrophobicContact CD2-CB 4.03Å; F70-L76 HydrophobicContact CD2-CD1 3.89Å; F70-L76 HydrophobicContact CE2-CD1 4.22Å; F70-L76 HydrophobicContact CG-CB 4.32Å; T72-L76 PolarHBondContact O-N 3.37Å; T72-L76 VanDerWaalsContact O-N 3.12Å; Q73-L76 PolarHBondContact O-N 2.81Å; E74-L76 VanDerWaalsContact C-N 3.28Å; E74-L76 PolarHBondContact O-N 2.98Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 WeakPolarHBondContact O-CA 3.5Å; L76-H79 WeakPolarHBondContact O-CB 3.34Å; L76-H79 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-OG1 3.38Å; L76-T80 VanDerWaalsContact O-OG1 3.13Å
77R74.9Confident74.5Confident173 Ų17378.5 Ų78.565%0.65342%0.419SS*.Hα-helixtrans-59.1-38.6178.4-76.3179.5127.9140.5-2.8113Q73 E74 H79 S81Q73-R77 PolarHBondContact O-N 3.44Å; E74-R77 PolarHBondContact O-N 3.24Å; E74-R77 VanDerWaalsContact O-N 3.14Å; R77-H79 PolarHBondContact O-N 3.34Å; R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.82Å; R77-S81 PolarHBondContact O-OG 3.22Å
78L74.2Confident74.3Confident46 Ų4680 Ų8024%0.24142%0.419CS..Hα-helixtrans-68.5-17.3174.8-68.3177.9000113.8E74 K75 L76 S81 S101E74-L78 HydrophobicContact CG-CD1 4.18Å; E74-L78 HydrophobicContact CG-CG 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.23Å; E74-L78 VanDerWaalsContact O-CG 3.26Å; E74-L78 WeakPolarHBondContact O-CG 3.4Å; E74-L78 PolarHBondContact O-N 2.85Å; K75-L78 PolarHBondContact O-N 3.45Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.45Å; L78-S101 WeakPolarHBondContact CD2-O 3.43Å
79H75.8Confident74.1Confident41 Ų4181.9 Ų81.919%0.1942%0.422CS..Hα-helixtrans-95.2-43.5173.5170.979.1000112.3C63 C66 F70 K75 L76 R77 S81 S82 H83C63-H79 PolarHBondContact SG-CD2 3.34Å; C63-H79 PolarHBondContact SG-NE2 3.47Å; C66-H79 PolarHBondContact SG-NE2 2.89Å; F70-H79 HydrophobicContact CE1-CB 4.12Å; F70-H79 HydrophobicContact CE2-CB 3.9Å; F70-H79 AromaticContact CE2-CD2 3.44Å; F70-H79 VanDerWaalsContact CE2-CD2 3.44Å; F70-H79 WeakPolarHBondContact CE2-CD2 3.42Å; F70-H79 AromaticContact CE2-CG 3.64Å; F70-H79 HydrophobicContact CZ-CB 3.53Å; F70-H79 AromaticContact CZ-CD2 3.59Å; F70-H79 AromaticContact CZ-CG 3.31Å; F70-H79 AromaticContact CZ-ND1 3.73Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 3.09Å; K75-H79 VanDerWaalsContact O-N 3.11Å; L76-H79 CarbonylContact O-C 3.57Å; L76-H79 WeakPolarHBondContact O-CA 3.5Å; L76-H79 WeakPolarHBondContact O-CB 3.34Å; L76-H79 PolarHBondContact O-N 3.03Å; R77-H79 PolarHBondContact O-N 3.34Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.02Å; H79-S82 WeakPolarHBondContact O-CA 3.35Å; H79-S82 VanDerWaalsContact O-CB 3.29Å; H79-S82 WeakPolarHBondContact O-CB 3.06Å; H79-S82 PolarHBondContact O-N 3.34Å; H79-S82 PolarHBondContact O-OG 3.45Å; H79-H83 AromaticContact CD2-NE2 3.81Å; H79-H83 AromaticContact CE1-NE2 3.49Å; H79-H83 PolarHBondContact CE1-NE2 3.35Å; H79-H83 AromaticContact NE2-CD2 3.83Å; H79-H83 AromaticContact NE2-CE1 3.97Å; H79-H83 AromaticContact NE2-NE2 3.02Å; H79-H83 PolarHBondContact NE2-NE2 3.14Å
80T72.9Confident73.9Confident46 Ų4681.7 Ų81.728%0.28242%0.417SS..Hα-helixtrans-60.3-37.4174.9-50.50000111.6L76 S82 H83 T84L76-T80 PolarHBondContact O-N 3.03Å; L76-T80 PolarHBondContact O-OG1 3.38Å; L76-T80 VanDerWaalsContact O-OG1 3.13Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å; T80-H83 WeakPolarHBondContact O-CB 3.49Å; T80-H83 PolarHBondContact O-N 3.1Å; T80-T84 PolarHBondContact O-N 3.15Å
81S69.5Low74Confident15 Ų1580 Ų8011%0.10541%0.412CS..Hα-helixtrans-65-7.9170.253.20000114.9R77 L78 H79 T84 G85 E86R77-S81 WeakPolarHBondContact O-CB 3.41Å; R77-S81 PolarHBondContact O-N 2.82Å; R77-S81 PolarHBondContact O-OG 3.22Å; L78-S81 WeakPolarHBondContact CA-OG 3.45Å; L78-S81 PolarHBondContact O-OG 3.45Å; H79-S81 VanDerWaalsContact C-N 3.27Å; H79-S81 PolarHBondContact O-N 3.02Å; S81-T84 WeakPolarHBondContact CA-OG1 3.28Å; S81-G85 PolarHBondContact O-N 3.31Å; S81-E86 PolarHBondContact O-N 3.06Å
82S68.8Low73.9Confident70 Ų7078.5 Ų78.549%0.4941%0.407SS..Hα-helixtrans-86.9-21.8167.477.30000113.5H79 T80H79-S82 WeakPolarHBondContact O-CA 3.35Å; H79-S82 VanDerWaalsContact O-CB 3.29Å; H79-S82 WeakPolarHBondContact O-CB 3.06Å; H79-S82 PolarHBondContact O-N 3.34Å; H79-S82 PolarHBondContact O-OG 3.45Å; T80-S82 PolarHBondContact O-N 3.28Å; T80-S82 VanDerWaalsContact O-N 3.12Å
83H69.5Low73.4Confident79 Ų7980.2 Ų80.237%0.36641%0.411SS..Hα-helixtrans-84.4-48172.2-61.3-58.8000111.8C63 V65 H79 T80 G85C63-H83 VanDerWaalsContact SG-CD2 3.56Å; V65-H83 HydrophobicContact CG1-CB 4.11Å; V65-H83 HydrophobicContact CG2-CB 4.42Å; H79-H83 AromaticContact CD2-NE2 3.81Å; H79-H83 AromaticContact CE1-NE2 3.49Å; H79-H83 PolarHBondContact CE1-NE2 3.35Å; H79-H83 AromaticContact NE2-CD2 3.83Å; H79-H83 AromaticContact NE2-CE1 3.97Å; H79-H83 AromaticContact NE2-NE2 3.02Å; H79-H83 PolarHBondContact NE2-NE2 3.14Å; T80-H83 WeakPolarHBondContact O-CB 3.49Å; T80-H83 PolarHBondContact O-N 3.1Å; H83-G85 PolarHBondContact O-N 3.08Å
84T65.1Low72.4Confident79 Ų7978.9 Ų78.949%0.48541%0.413SS..SBendtrans-68.4-15175.261.70000112.7T80 S81 E86T80-T84 PolarHBondContact O-N 3.15Å; S81-T84 WeakPolarHBondContact CA-OG1 3.28Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact O-N 3.42Å; T84-E86 VanDerWaalsContact OG1-CD 3.27Å; T84-E86 VanDerWaalsContact OG1-CG 3.31Å; T84-E86 WeakPolarHBondContact OG1-CG 3.49Å; T84-E86 PolarHBondContact OG1-OE2 3.28Å
85G63.7Low72Confident32 Ų3281.5 Ų81.533%0.3343%0.425SS..  trans72.32.2-17800000114.3S81 H83 K87S81-G85 PolarHBondContact O-N 3.31Å; H83-G85 PolarHBondContact O-N 3.08Å; G85-K87 WeakPolarHBondContact O-CG 3.28Å; G85-K87 PolarHBondContact O-NZ 2.83Å
86E64.7Low72.1Confident120 Ų12077.2 Ų77.256%0.56141%0.409SS*.  trans-61.3139-178.9-69.8168.1136.300112.3S81 T84S81-E86 PolarHBondContact O-N 3.06Å; T84-E86 WeakPolarHBondContact CB-OE2 3.38Å; T84-E86 PolarHBondContact O-N 3.42Å; T84-E86 VanDerWaalsContact OG1-CD 3.27Å; T84-E86 VanDerWaalsContact OG1-CG 3.31Å; T84-E86 WeakPolarHBondContact OG1-CG 3.49Å; T84-E86 PolarHBondContact OG1-OE2 3.28Å
87K72.4Confident71.9Confident107 Ų10782.4 Ų82.447%0.46544%0.444SS..  trans-137.276-174-70.1164.9-17388.20110G85 F89 H90 A99 F100G85-K87 WeakPolarHBondContact O-CG 3.28Å; G85-K87 PolarHBondContact O-NZ 2.83Å; K87-F89 PolarHBondContact O-N 3.16Å; K87-H90 PolarHBondContact O-CE1 2.63Å; K87-A99 HydrophobicContact CB-CB 3.49Å; K87-A99 VanDerWaalsContact CB-CB 3.49Å; K87-A99 HydrophobicContact CD-CB 4.27Å; K87-A99 WeakPolarHBondContact CD-O 3.48Å; K87-A99 HydrophobicContact CG-CB 4.44Å; K87-A99 WeakPolarHBondContact O-CB 3.24Å; K87-F100 CarbonylContact C-O 3.57Å; K87-F100 WeakPolarHBondContact CA-O 3.28Å
88P72.4Confident72Confident85 Ų8579.5 Ų79.555%0.55244%0.436SS*.  trans-60.7-31.5-176.3-24.335000113.3H90P88-H90 PolarHBondContact O-N 2.61Å; P88-H90 PolarHBondContact O-ND1 2.79Å
89F75.4Confident72.2Confident71 Ų7178.4 Ų78.431%0.31143%0.433SS..EExtended strand (participates in β ladder)trans-89.991.1-169.7-57.4-82.5000111.3K87 A99 F100 S102 K103 L106K87-F89 PolarHBondContact O-N 3.16Å; F89-A99 CarbonylContact O-C 3.49Å; F89-A99 WeakPolarHBondContact O-CA 3.36Å; F89-F100 HydrophobicContact CB-CB 4.48Å; F89-F100 WeakPolarHBondContact CB-O 3.08Å; F89-F100 WeakPolarHBondContact CD2-O 3.46Å; F89-F100 PolarHBondContact N-O 3.15Å; F89-F100 PolarHBondContact O-N 2.88Å; F89-S102 VanDerWaalsContact CD2-CA 3.42Å; F89-S102 VanDerWaalsContact CD2-N 3.31Å; F89-K103 HydrophobicContact CD1-CB 3.93Å; F89-K103 HydrophobicContact CD1-CG 4.45Å; F89-K103 HydrophobicContact CE1-CB 3.72Å; F89-K103 HydrophobicContact CE1-CG 4.35Å; F89-K103 HydrophobicContact CZ-CB 4.2Å; F89-L106 HydrophobicContact CB-CB 3.93Å; F89-L106 HydrophobicContact CB-CD2 3.83Å; F89-L106 HydrophobicContact CB-CG 4.48Å
90H78.6Confident72.4Confident127 Ų12778.6 Ų78.659%0.58843%0.434SS*.EExtended strand (participates in β ladder)trans-79.9148.4-178.4-70.274.9000112.9K87 P88 S92 L106K87-H90 PolarHBondContact O-CE1 2.63Å; P88-H90 PolarHBondContact O-N 2.61Å; P88-H90 PolarHBondContact O-ND1 2.79Å; H90-S92 PolarHBondContact O-N 3.09Å; H90-L106 WeakPolarHBondContact O-CD1 3.29Å; H90-L106 VanDerWaalsContact O-CD2 3.3Å; H90-L106 WeakPolarHBondContact O-CD2 3.35Å
91C82.9Confident72.5Confident18 Ų1877 Ų7712%0.12243%0.425CS..  trans-74.6120.1172.4177.70000110.6Q93 C96 K98 L106 M110 H113C91-Q93 PolarHBondContact O-N 2.97Å; C91-C96 WeakPolarHBondContact CB-O 3.37Å; C91-C96 VanDerWaalsContact SG-CB 3.57Å; C91-K98 HydrophobicContact CB-CB 4.4Å; C91-K98 WeakPolarHBondContact CB-O 3.47Å; C91-K98 PolarHBondContact N-O 3.27Å; C91-L106 HydrophobicContact CB-CD1 4.45Å; C91-M110 HydrophobicContact CB-CE 4.03Å; C91-M110 WeakPolarHBondContact SG-CE 3.33Å; C91-H113 PolarHBondContact SG-NE2 3.42Å
92S77.3Confident72.9Confident99 Ų9977 Ų7769%0.69243%0.425SS*.  trans-76.8-3.217953.40000114.7H90H90-S92 PolarHBondContact O-N 3.09Å
93Q73.4Confident73.2Confident88 Ų8881.3 Ų81.341%0.41144%0.435SS..SBendtrans-84.9131.1-177-71.4-73.1-67.400110.8C91 C96 M110 H113C91-Q93 PolarHBondContact O-N 2.97Å; Q93-C96 HydrophobicContact CB-CB 4.46Å; Q93-C96 PolarHBondContact O-N 2.9Å; Q93-M110 HydrophobicContact CG-CE 4.35Å; Q93-M110 HydrophobicContact CG-SD 4.33Å; Q93-H113 HydrophobicContact CG-CB 4.02Å
94P58.3Low73.6Confident92 Ų9284.9 Ų84.960%0.59745%0.446SS*.THydrogen-bonded Turntrans-57.1147.6176.624.7-33.3000110.7C96P94-C96 PolarHBondContact O-N 3.34Å
95H69.4Low74.1Confident187 Ų18784.6 Ų84.687%0.86644%0.438SS*.THydrogen-bonded Turntrans65.88.4-176-32.4-65.4000116.6P97H95-P97 WeakPolarHBondContact O-CD 3.46Å
96C76.4Confident74.7Confident20 Ų2084.4 Ų84.414%0.13543%0.429CS..  trans-117.292.7178.1-160.80000114.4C91 Q93 P94 K98 H109 H113C91-C96 WeakPolarHBondContact CB-O 3.37Å; C91-C96 VanDerWaalsContact SG-CB 3.57Å; Q93-C96 HydrophobicContact CB-CB 4.46Å; Q93-C96 PolarHBondContact O-N 2.9Å; P94-C96 PolarHBondContact O-N 3.34Å; C96-K98 PolarHBondContact O-N 2.94Å; C96-H109 PolarHBondContact SG-NE2 3.21Å; C96-H113 PolarHBondContact SG-CE1 3.31Å
97P75.1Confident75.4Confident135 Ų13586 Ų8688%0.87744%0.435SS*.  trans-80.343.5-176.535.7-38.8000113.1H95H95-P97 WeakPolarHBondContact O-CD 3.46Å
98K76.1Confident75.6Confident112 Ų11285.3 Ų85.349%0.48743%0.429SS..  trans-102.9116.2-177.7-71.8179.1-176.3166.90111.1C91 C96 F100C91-K98 HydrophobicContact CB-CB 4.4Å; C91-K98 WeakPolarHBondContact CB-O 3.47Å; C91-K98 PolarHBondContact N-O 3.27Å; C96-K98 PolarHBondContact O-N 2.94Å; K98-F100 HydrophobicContact CB-CE2 3.78Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.4Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å
99A78.7Confident75.9Confident23 Ų2381.9 Ų81.919%0.1941%0.406CS..EExtended strand (participates in β ladder)trans-107.6156.8170.400000111.2K87 F89K87-A99 HydrophobicContact CB-CB 3.49Å; K87-A99 VanDerWaalsContact CB-CB 3.49Å; K87-A99 HydrophobicContact CD-CB 4.27Å; K87-A99 WeakPolarHBondContact CD-O 3.48Å; K87-A99 HydrophobicContact CG-CB 4.44Å; K87-A99 WeakPolarHBondContact O-CB 3.24Å; F89-A99 CarbonylContact O-C 3.49Å; F89-A99 WeakPolarHBondContact O-CA 3.36Å
100F79.4Confident75.8Confident45 Ų4580.6 Ų80.620%0.19740%0.401CS..EExtended strand (participates in β ladder)trans-135.2152.8-175.3-58.3-92.3000111.6K87 F89 K98 S102 K105 L106 H109K87-F100 CarbonylContact C-O 3.57Å; K87-F100 WeakPolarHBondContact CA-O 3.28Å; F89-F100 HydrophobicContact CB-CB 4.48Å; F89-F100 WeakPolarHBondContact CB-O 3.08Å; F89-F100 WeakPolarHBondContact CD2-O 3.46Å; F89-F100 PolarHBondContact N-O 3.15Å; F89-F100 PolarHBondContact O-N 2.88Å; K98-F100 HydrophobicContact CB-CE2 3.78Å; K98-F100 HydrophobicContact CB-CZ 3.9Å; K98-F100 HydrophobicContact CD-CZ 4.4Å; K98-F100 WeakPolarHBondContact O-CE2 3.12Å; F100-S102 PolarHBondContact O-N 2.81Å; F100-K105 HydrophobicContact CB-CB 3.9Å; F100-K105 HydrophobicContact CD1-CB 3.95Å; F100-K105 HydrophobicContact CG-CB 4.18Å; F100-L106 HydrophobicContact CB-CB 4.48Å; F100-L106 HydrophobicContact CD2-CB 4.15Å; F100-L106 HydrophobicContact CD2-CD1 4.08Å; F100-L106 HydrophobicContact CE2-CD1 4.35Å; F100-H109 HydrophobicContact CE1-CB 4.16Å; F100-H109 HydrophobicContact CE2-CB 3.83Å; F100-H109 AromaticContact CE2-CD2 3.29Å; F100-H109 WeakPolarHBondContact CE2-CD2 3.46Å; F100-H109 AromaticContact CE2-CG 3.72Å; F100-H109 HydrophobicContact CZ-CB 3.52Å; F100-H109 AromaticContact CZ-CD2 3.39Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.46Å; F100-H109 AromaticContact CZ-CG 3.41Å; F100-H109 VanDerWaalsContact CZ-CG 3.41Å
101S75.8Confident75.6Confident13 Ų1376.1 Ų76.19%0.09139%0.386CS..SBendtrans-81.57.617680.50000114.5L78 K105L78-S101 WeakPolarHBondContact CD2-O 3.43Å; S101-K105 PolarHBondContact OG-NZ 2.95Å
102S77.3Confident75Confident16 Ų1678.6 Ų78.611%0.11240%0.401CS..SBendtrans-156.5140.4-179.2174.90000112.7F89 F100 Y104 K105 L106F89-S102 VanDerWaalsContact CD2-CA 3.42Å; F89-S102 VanDerWaalsContact CD2-N 3.31Å; F100-S102 PolarHBondContact O-N 2.81Å; S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 3.16Å; S102-Y104 PolarHBondContact OG-N 3.38Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 3.43Å; S102-L106 PolarHBondContact O-N 3.07Å
103K76.1Confident74.8Confident160 Ų16077 Ų7770%0.69638%0.383SS*.Hα-helixtrans-52.5-41.2173.1-166.1174.9-178.9179.30112.5F89 L106 F107F89-K103 HydrophobicContact CD1-CB 3.93Å; F89-K103 HydrophobicContact CD1-CG 4.45Å; F89-K103 HydrophobicContact CE1-CB 3.72Å; F89-K103 HydrophobicContact CE1-CG 4.35Å; F89-K103 HydrophobicContact CZ-CB 4.2Å; K103-L106 PolarHBondContact O-N 3.19Å; K103-F107 WeakPolarHBondContact O-CB 3.43Å; K103-F107 PolarHBondContact O-N 3.45Å
104Y77.2Confident74.6Confident153 Ų15375.1 Ų75.160%0.638%0.379SS*.Hα-helixtrans-64.9-40.4175.8175.9-96.1000112.8S102 L106 F107 R108S102-Y104 VanDerWaalsContact C-N 3.27Å; S102-Y104 PolarHBondContact O-N 3.16Å; S102-Y104 PolarHBondContact OG-N 3.38Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.68Å; Y104-F107 PolarHBondContact O-N 2.99Å; Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.17Å
105K74.6Confident74.6Confident73 Ų7376.6 Ų76.632%0.31739%0.389SS..Hα-helixtrans-65.3-38.1176.8-65.6173.3-166.5171.20111F100 S101 S102 H109F100-K105 HydrophobicContact CB-CB 3.9Å; F100-K105 HydrophobicContact CD1-CB 3.95Å; F100-K105 HydrophobicContact CG-CB 4.18Å; S101-K105 PolarHBondContact OG-NZ 2.95Å; S102-K105 WeakPolarHBondContact O-CB 3.3Å; S102-K105 PolarHBondContact O-N 3.43Å; K105-H109 PolarHBondContact O-N 3.17Å
106L78.2Confident74.3Confident29 Ų2974.6 Ų74.615%0.15238%0.379CS..Hα-helixtrans-66.4-50.7173.5171.461.7000112F89 H90 C91 F100 S102 K103 Y104 R108 H109 M110F89-L106 HydrophobicContact CB-CB 3.93Å; F89-L106 HydrophobicContact CB-CD2 3.83Å; F89-L106 HydrophobicContact CB-CG 4.48Å; H90-L106 WeakPolarHBondContact O-CD1 3.29Å; H90-L106 VanDerWaalsContact O-CD2 3.3Å; H90-L106 WeakPolarHBondContact O-CD2 3.35Å; C91-L106 HydrophobicContact CB-CD1 4.45Å; F100-L106 HydrophobicContact CB-CB 4.48Å; F100-L106 HydrophobicContact CD2-CB 4.15Å; F100-L106 HydrophobicContact CD2-CD1 4.08Å; F100-L106 HydrophobicContact CE2-CD1 4.35Å; S102-L106 PolarHBondContact O-N 3.07Å; K103-L106 PolarHBondContact O-N 3.19Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.68Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.08Å; L106-H109 CarbonylContact O-C 3.5Å; L106-H109 WeakPolarHBondContact O-CA 3.45Å; L106-H109 VanDerWaalsContact O-CB 3.32Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.02Å; L106-M110 HydrophobicContact CD1-CE 3.81Å; L106-M110 HydrophobicContact CD1-CG 4.36Å; L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 PolarHBondContact O-N 3.28Å
107F77.8Confident73.9Confident154 Ų15478.3 Ų78.368%0.67539%0.393SS*.Hα-helixtrans-56.2-46178.7178.5-99.5000111.9K103 Y104 H109 M110 A111K103-F107 WeakPolarHBondContact O-CB 3.43Å; K103-F107 PolarHBondContact O-N 3.45Å; Y104-F107 PolarHBondContact O-N 2.99Å; F107-H109 PolarHBondContact O-N 3.27Å; F107-M110 WeakPolarHBondContact O-CB 3.45Å; F107-M110 PolarHBondContact O-N 3.39Å; F107-A111 PolarHBondContact O-N 2.95Å
108R76.8Confident73.8Confident91 Ų9175.8 Ų75.834%0.34338%0.376SS..Hα-helixtrans-62.8-21.7173.8-168.7-175.467-173.7-3.2113.4Y104 L106Y104-R108 WeakPolarHBondContact O-CB 3.38Å; Y104-R108 PolarHBondContact O-N 3.17Å; L106-R108 VanDerWaalsContact C-N 3.32Å; L106-R108 PolarHBondContact O-N 3.08Å
109H79Confident73.7Confident14 Ų1472.5 Ų72.57%0.06536%0.362CS..Hα-helixtrans-84.3-34.4170.9176.541.8000112.7C96 F100 K105 L106 F107 A111 T112 H113C96-H109 PolarHBondContact SG-NE2 3.21Å; F100-H109 HydrophobicContact CE1-CB 4.16Å; F100-H109 HydrophobicContact CE2-CB 3.83Å; F100-H109 AromaticContact CE2-CD2 3.29Å; F100-H109 WeakPolarHBondContact CE2-CD2 3.46Å; F100-H109 AromaticContact CE2-CG 3.72Å; F100-H109 HydrophobicContact CZ-CB 3.52Å; F100-H109 AromaticContact CZ-CD2 3.39Å; F100-H109 WeakPolarHBondContact CZ-CD2 3.46Å; F100-H109 AromaticContact CZ-CG 3.41Å; F100-H109 VanDerWaalsContact CZ-CG 3.41Å; K105-H109 PolarHBondContact O-N 3.17Å; L106-H109 CarbonylContact O-C 3.5Å; L106-H109 WeakPolarHBondContact O-CA 3.45Å; L106-H109 VanDerWaalsContact O-CB 3.32Å; L106-H109 WeakPolarHBondContact O-CB 3.48Å; L106-H109 PolarHBondContact O-N 3.02Å; F107-H109 PolarHBondContact O-N 3.27Å; H109-A111 PolarHBondContact O-N 3.16Å; H109-T112 PolarHBondContact CE1-OG1 3.26Å; H109-T112 PolarHBondContact ND1-OG1 2.9Å; H109-T112 WeakPolarHBondContact O-CA 3.43Å; H109-T112 WeakPolarHBondContact O-CB 3.46Å; H109-T112 PolarHBondContact O-N 2.84Å; H109-T112 PolarHBondContact O-OG1 3.09Å; H109-H113 AromaticContact CD2-NE2 3.9Å; H109-H113 AromaticContact CE1-CD2 3.82Å; H109-H113 AromaticContact CE1-CE1 3.72Å; H109-H113 AromaticContact CE1-NE2 3.13Å; H109-H113 PolarHBondContact CE1-NE2 3.44Å; H109-H113 AromaticContact NE2-CD2 3.85Å; H109-H113 AromaticContact NE2-CE1 3.84Å; H109-H113 AromaticContact NE2-NE2 3Å; H109-H113 PolarHBondContact NE2-NE2 3.19Å
110M74.2Confident73.6Confident44 Ų4477 Ų7722%0.21738%0.379CS..Hα-helixtrans-56.7-39.6173.1-65.9-63.991.200111.2C91 Q93 L106 F107 T112 H113 S114C91-M110 HydrophobicContact CB-CE 4.03Å; C91-M110 WeakPolarHBondContact SG-CE 3.33Å; Q93-M110 HydrophobicContact CG-CE 4.35Å; Q93-M110 HydrophobicContact CG-SD 4.33Å; L106-M110 HydrophobicContact CD1-CE 3.81Å; L106-M110 HydrophobicContact CD1-CG 4.36Å; L106-M110 HydrophobicContact CD1-SD 4.47Å; L106-M110 PolarHBondContact O-N 3.28Å; F107-M110 WeakPolarHBondContact O-CB 3.45Å; F107-M110 PolarHBondContact O-N 3.39Å; M110-T112 PolarHBondContact O-N 3.09Å; M110-H113 PolarHBondContact O-N 3.42Å; M110-S114 PolarHBondContact O-N 3.16Å
111A73.8Confident73.6Confident33 Ų3375 Ų7527%0.27337%0.371SS..THydrogen-bonded Turntrans-55.1-22.6171.500000114.5F107 H109 H129F107-A111 PolarHBondContact O-N 2.95Å; H109-A111 PolarHBondContact O-N 3.16Å; A111-H129 PolarHBondContact O-CD2 3.21Å; A111-H129 PolarHBondContact O-NE2 2.89Å
112T70.9Confident73.6Confident70 Ų7079 Ų7943%0.42940%0.398SS..THydrogen-bonded Turntrans-86.1-8.1177.367.10000114.7H109 M110H109-T112 PolarHBondContact CE1-OG1 3.26Å; H109-T112 PolarHBondContact ND1-OG1 2.9Å; H109-T112 WeakPolarHBondContact O-CA 3.43Å; H109-T112 WeakPolarHBondContact O-CB 3.46Å; H109-T112 PolarHBondContact O-N 2.84Å; H109-T112 PolarHBondContact O-OG1 3.09Å; M110-T112 PolarHBondContact O-N 3.09Å
113H72.8Confident73.2Confident66 Ų6684.6 Ų84.631%0.30642%0.421SS..THydrogen-bonded Turntrans-96.8-26.1171.2-62.5-68.1000112.3C91 Q93 C96 H109 M110C91-H113 PolarHBondContact SG-NE2 3.42Å; Q93-H113 HydrophobicContact CG-CB 4.02Å; C96-H113 PolarHBondContact SG-CE1 3.31Å; H109-H113 AromaticContact CD2-NE2 3.9Å; H109-H113 AromaticContact CE1-CD2 3.82Å; H109-H113 AromaticContact CE1-CE1 3.72Å; H109-H113 AromaticContact CE1-NE2 3.13Å; H109-H113 PolarHBondContact CE1-NE2 3.44Å; H109-H113 AromaticContact NE2-CD2 3.85Å; H109-H113 AromaticContact NE2-CE1 3.84Å; H109-H113 AromaticContact NE2-NE2 3Å; H109-H113 PolarHBondContact NE2-NE2 3.19Å; M110-H113 PolarHBondContact O-N 3.42Å
114S68.9Low73.3Confident47 Ų4778.7 Ų78.733%0.32940%0.4SS..SBendtrans-60132.2170.7-179.60000110.7M110 Q116 H129M110-S114 PolarHBondContact O-N 3.16Å; S114-Q116 PolarHBondContact O-N 2.9Å; S114-Q116 WeakPolarHBondContact OG-CB 3.46Å; S114-Q116 PolarHBondContact OG-N 3.38Å; S114-Q116 VanDerWaalsContact OG-N 3.16Å; S114-H129 PolarHBondContact O-NE2 2.82Å
115P59Low73.3Confident124 Ų12480 Ų8081%0.80541%0.411SS*.SBendtrans-66.8-23.5171.129-34.4000111.7K117P115-K117 PolarHBondContact O-N 3.45Å
116Q62.3Low73.3Confident144 Ų14482.2 Ų82.267%0.67342%0.421SS*.  trans-77.1108.1-175.1-160.7-179.431.100111.3S114 T118 H129S114-Q116 PolarHBondContact O-N 2.9Å; S114-Q116 WeakPolarHBondContact OG-CB 3.46Å; S114-Q116 PolarHBondContact OG-N 3.38Å; S114-Q116 VanDerWaalsContact OG-N 3.16Å; Q116-T118 PolarHBondContact O-N 3.03Å; Q116-H129 PolarHBondContact O-CD2 3.25Å
117K69Low73.3Confident98 Ų9884.6 Ų84.643%0.42643%0.432SS..  trans-89103173.6-69162.5168.7-1730109.4P115 H119 M127P115-K117 PolarHBondContact O-N 3.45Å; K117-H119 VanDerWaalsContact C-N 3.3Å; K117-H119 PolarHBondContact O-N 3.27Å; K117-M127 HydrophobicContact CB-CB 3.52Å; K117-M127 HydrophobicContact CD-CB 3.9Å; K117-M127 WeakPolarHBondContact CD-O 3.46Å; K117-M127 HydrophobicContact CG-CB 4.37Å; K117-M127 WeakPolarHBondContact O-CE 3.07Å
118T71.4Confident73.4Confident82 Ų8279.6 Ų79.650%0.50341%0.41SS..  trans-73.8-9.1-169.650.30000116Q116 F128Q116-T118 PolarHBondContact O-N 3.03Å; T118-F128 PolarHBondContact N-O 2.92Å
119H74.3Confident73.3Confident44 Ų4477.7 Ų77.720%0.20441%0.405CS..EExtended strand (participates in β ladder)trans-130.992.2-171.4-56.8-46.3000111.9K117 M127 F128 R130 K131 L134K117-H119 VanDerWaalsContact C-N 3.3Å; K117-H119 PolarHBondContact O-N 3.27Å; H119-M127 CarbonylContact O-C 3.56Å; H119-M127 WeakPolarHBondContact O-CA 3.47Å; H119-F128 WeakPolarHBondContact CB-O 3.39Å; H119-F128 PolarHBondContact N-O 2.79Å; H119-F128 PolarHBondContact O-N 3.06Å; H119-R130 VanDerWaalsContact CD2-C 3.48Å; H119-K131 PolarHBondContact CD2-N 3.16Å; H119-K131 VanDerWaalsContact CD2-N 3.33Å; H119-K131 WeakPolarHBondContact NE2-CG 3.28Å; H119-L134 HydrophobicContact CB-CB 4.25Å; H119-L134 HydrophobicContact CB-CD2 3.9Å
120Q77.1Confident73.1Confident118 Ų11879.9 Ų79.955%0.55141%0.413SS*.EExtended strand (participates in β ladder)trans-73.6150.1172.8-173.3166.3-13.500111.7M127 L134Q120-M127 HydrophobicContact CB-CE 4.15Å; Q120-M127 HydrophobicContact CB-CG 4Å; Q120-M127 HydrophobicContact CG-CG 4.08Å; Q120-L134 WeakPolarHBondContact O-CD2 3.38Å
121C80.4Confident73.1Confident3 Ų385.2 Ų85.22%0.0244%0.435CS..EExtended strand (participates in β ladder)trans-85.8134.7171.1-179.70000110.7F123 C124 K126 L134 H141C121-F123 VanDerWaalsContact C-N 3.3Å; C121-F123 PolarHBondContact O-N 2.89Å; C121-C124 WeakPolarHBondContact CB-O 3.49Å; C121-K126 WeakPolarHBondContact CB-O 3.21Å; C121-K126 PolarHBondContact N-O 3.09Å; C121-L134 HydrophobicContact CB-CD1 3.82Å; C121-H141 VanDerWaalsContact SG-CD2 3.53Å; C121-H141 PolarHBondContact SG-NE2 3.2Å
122S74.8Confident73.1Confident96 Ų9686.7 Ų86.767%0.67144%0.438SS*.THydrogen-bonded Turntrans-59.8-40.3174.7460000112.3
123F69.8Low73.4Confident133 Ų13387.3 Ų87.358%0.58344%0.436SS*.THydrogen-bonded Turntrans-88.7-3.6-174.8-54.6-69.3000115.4C121 L138 H141C121-F123 VanDerWaalsContact C-N 3.3Å; C121-F123 PolarHBondContact O-N 2.89Å; F123-L138 HydrophobicContact CD2-CD2 3.82Å; F123-L138 HydrophobicContact CE2-CD2 4.04Å; F123-H141 HydrophobicContact CB-CB 4.1Å; F123-H141 HydrophobicContact CD2-CB 3.69Å; F123-H141 AromaticContact CD2-CG 3.96Å; F123-H141 HydrophobicContact CE2-CB 4.39Å; F123-H141 HydrophobicContact CG-CB 4.04Å
124C77.6Confident73.7Confident37 Ų3785.5 Ų85.525%0.2543%0.429CS..EExtended strand (participates in β ladder)trans-169.3163.3172.766.60000113.1C121 K126 H137 H141C121-C124 WeakPolarHBondContact CB-O 3.49Å; C124-K126 PolarHBondContact O-N 3.11Å; C124-H137 PolarHBondContact SG-NE2 3.29Å; C124-H137 VanDerWaalsContact SG-NE2 3.39Å; C124-H141 VanDerWaalsContact SG-CE1 3.53Å; C124-H141 PolarHBondContact SG-NE2 3.1Å; C124-H141 VanDerWaalsContact SG-NE2 3.42Å
125E77.4Confident74.1Confident181 Ų18189.9 Ų89.985%0.84644%0.442SS*.EExtended strand (participates in β ladder)trans-57.1-0.4178.4-61.6164.6-159.500116.5M127E125-M127 PolarHBondContact O-N 2.95Å; E125-M127 VanDerWaalsContact O-N 3.13Å
126K73.9Confident74.8Confident119 Ų11988 Ų8852%0.51743%0.425SS..EExtended strand (participates in β ladder)trans-73110.1-178.5-67.5172.2-169.8151.60110.5C121 C124 F128C121-K126 WeakPolarHBondContact CB-O 3.21Å; C121-K126 PolarHBondContact N-O 3.09Å; C124-K126 PolarHBondContact O-N 3.11Å; K126-F128 HydrophobicContact CB-CE2 3.71Å; K126-F128 HydrophobicContact CB-CZ 3.98Å; K126-F128 WeakPolarHBondContact O-CD2 3.46Å; K126-F128 WeakPolarHBondContact O-CE2 3.46Å
127M78.4Confident75.6Confident79 Ų7982.1 Ų82.139%0.38940%0.397SS..EExtended strand (participates in β ladder)trans-96.4145.6171.2-48.5175.896.100112.1K117 H119 Q120 E125K117-M127 HydrophobicContact CB-CB 3.52Å; K117-M127 HydrophobicContact CD-CB 3.9Å; K117-M127 WeakPolarHBondContact CD-O 3.46Å; K117-M127 HydrophobicContact CG-CB 4.37Å; K117-M127 WeakPolarHBondContact O-CE 3.07Å; H119-M127 CarbonylContact O-C 3.56Å; H119-M127 WeakPolarHBondContact O-CA 3.47Å; Q120-M127 HydrophobicContact CB-CE 4.15Å; Q120-M127 HydrophobicContact CB-CG 4Å; Q120-M127 HydrophobicContact CG-CG 4.08Å; E125-M127 PolarHBondContact O-N 2.95Å; E125-M127 VanDerWaalsContact O-N 3.13Å
128F79Confident75.9Confident48 Ų4879.8 Ų79.821%0.21139%0.389CS..EExtended strand (participates in β ladder)trans-128.1149.3-176.1-60.4-95.5000111.1T118 H119 K126 R130 H133 L134 H137T118-F128 PolarHBondContact N-O 2.92Å; H119-F128 WeakPolarHBondContact CB-O 3.39Å; H119-F128 PolarHBondContact N-O 2.79Å; H119-F128 PolarHBondContact O-N 3.06Å; K126-F128 HydrophobicContact CB-CE2 3.71Å; K126-F128 HydrophobicContact CB-CZ 3.98Å; K126-F128 WeakPolarHBondContact O-CD2 3.46Å; K126-F128 WeakPolarHBondContact O-CE2 3.46Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; F128-H133 HydrophobicContact CB-CB 4.43Å; F128-H133 HydrophobicContact CD1-CB 3.98Å; F128-L134 HydrophobicContact CD2-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.18Å; F128-L134 HydrophobicContact CE2-CD1 4.43Å; F128-H137 HydrophobicContact CE1-CB 4.16Å; F128-H137 HydrophobicContact CE2-CB 4.03Å; F128-H137 AromaticContact CE2-CD2 3.25Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.34Å; F128-H137 AromaticContact CE2-CG 3.78Å; F128-H137 HydrophobicContact CZ-CB 3.62Å; F128-H137 AromaticContact CZ-CD2 3.3Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.37Å; F128-H137 AromaticContact CZ-CG 3.4Å
129H74.7Confident75.7Confident52 Ų5278.3 Ų78.324%0.24138%0.376CS..SBendtrans-80.70173.8-63.4107.7000114.3A111 S114 Q116A111-H129 PolarHBondContact O-CD2 3.21Å; A111-H129 PolarHBondContact O-NE2 2.89Å; S114-H129 PolarHBondContact O-NE2 2.82Å; Q116-H129 PolarHBondContact O-CD2 3.25Å
130R74.8Confident75.3Confident59 Ų5979.6 Ų79.622%0.22339%0.388CS..  trans-147.2131.8-172.1-72.1176.158.3-179.22.5113H119 F128 D132 H133 L134H119-R130 VanDerWaalsContact CD2-C 3.48Å; F128-R130 VanDerWaalsContact C-N 3.28Å; F128-R130 PolarHBondContact O-N 3.14Å; R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 3.62Å; R130-D132 IonicContact CZ-OD2 3.61Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 2.91Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 IonicContact NH2-OD1 2.68Å; R130-D132 PolarHBondContact NH2-OD1 2.69Å; R130-D132 IonicContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact O-N 3.41Å; R130-H133 HydrophobicContact CB-CB 4.08Å; R130-H133 PolarHBondContact NH1-CE1 3.2Å; R130-H133 PolarHBondContact NH1-NE2 3.12Å; R130-H133 PolarHBondContact O-N 3.05Å; R130-H133 VanDerWaalsContact O-N 3.11Å; R130-L134 PolarHBondContact O-N 3.16Å
131K74.3Confident74.8Confident156 Ų15676.8 Ų76.868%0.67837%0.374SS*.Hα-helixtrans-57.3-37.6176.2-65.3-168.9178.5-176.90113.1H119 L134 K135H119-K131 PolarHBondContact CD2-N 3.16Å; H119-K131 VanDerWaalsContact CD2-N 3.33Å; H119-K131 WeakPolarHBondContact NE2-CG 3.28Å; K131-L134 PolarHBondContact O-N 3.49Å; K131-K135 WeakPolarHBondContact O-CB 3.15Å; K131-K135 PolarHBondContact O-N 3.21Å
132D75.3Confident74.1Confident64 Ų6480 Ų8034%0.34239%0.391SS..Hα-helixtrans-71.6-30.317870.1-85.6000113.1R130 K135 N136R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 IonicContact CZ-OD1 3.62Å; R130-D132 IonicContact CZ-OD2 3.61Å; R130-D132 IonicContact NE-OD1 3.24Å; R130-D132 PolarHBondContact NE-OD1 2.91Å; R130-D132 IonicContact NE-OD2 2.88Å; R130-D132 IonicContact NH2-OD1 2.68Å; R130-D132 PolarHBondContact NH2-OD1 2.69Å; R130-D132 IonicContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact NH2-OD2 2.79Å; R130-D132 PolarHBondContact O-N 3.41Å; D132-K135 PolarHBondContact O-N 3.4Å; D132-N136 WeakPolarHBondContact O-CB 3.38Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-N136 PolarHBondContact O-ND2 3.25Å
133H76.8Confident73.3Confident83 Ų8381.9 Ų81.938%0.38440%0.401SS..Hα-helixtrans-73.3-37.5173.8-68.32.3000111.2F128 R130 H137F128-H133 HydrophobicContact CB-CB 4.43Å; F128-H133 HydrophobicContact CD1-CB 3.98Å; R130-H133 HydrophobicContact CB-CB 4.08Å; R130-H133 PolarHBondContact NH1-CE1 3.2Å; R130-H133 PolarHBondContact NH1-NE2 3.12Å; R130-H133 PolarHBondContact O-N 3.05Å; R130-H133 VanDerWaalsContact O-N 3.11Å; H133-H137 WeakPolarHBondContact O-CB 3.19Å; H133-H137 PolarHBondContact O-N 3.41Å; H133-H137 VanDerWaalsContact O-N 3.08Å
134L78.5Confident72.5Confident29 Ų2983 Ų8315%0.15241%0.413CS..Hα-helixtrans-61.6-48.116817460.1000111.2H119 Q120 C121 F128 R130 K131 N136 H137 L138H119-L134 HydrophobicContact CB-CB 4.25Å; H119-L134 HydrophobicContact CB-CD2 3.9Å; Q120-L134 WeakPolarHBondContact O-CD2 3.38Å; C121-L134 HydrophobicContact CB-CD1 3.82Å; F128-L134 HydrophobicContact CD2-CB 4.3Å; F128-L134 HydrophobicContact CD2-CD1 4.18Å; F128-L134 HydrophobicContact CE2-CD1 4.43Å; R130-L134 PolarHBondContact O-N 3.16Å; K131-L134 PolarHBondContact O-N 3.49Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 2.9Å; L134-H137 CarbonylContact O-C 3.35Å; L134-H137 WeakPolarHBondContact O-CA 3.4Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 2.84Å; L134-L138 HydrophobicContact CD1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD2 4.19Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 2.8Å
135K76.8Confident71.5Confident139 Ų13985.2 Ų85.260%0.60442%0.419SS*.Hα-helixtrans-58.4-43.2179-171.4168.3-176.1169.80112.3K131 D132 H137 L138 Q139K131-K135 WeakPolarHBondContact O-CB 3.15Å; K131-K135 PolarHBondContact O-N 3.21Å; D132-K135 PolarHBondContact O-N 3.4Å; K135-H137 PolarHBondContact O-N 3.11Å; K135-L138 PolarHBondContact O-N 2.77Å; K135-Q139 WeakPolarHBondContact O-CG 3.36Å; K135-Q139 PolarHBondContact O-N 2.88Å
136N75.3Confident70.5Confident85 Ų8585.2 Ų85.246%0.45542%0.419SS..Hα-helixtrans-68.4-19.4174.3-67-14.4000113.4D132 L134D132-N136 WeakPolarHBondContact O-CB 3.38Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-N136 PolarHBondContact O-ND2 3.25Å; L134-N136 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 2.9Å
137H78.2Confident69.9Low20 Ų2081.4 Ų81.49%0.09341%0.409CS..Hα-helixtrans-89.1-33.5174.7177.745.1000113.1C124 F128 H133 L134 K135 Q139 T140 H141C124-H137 PolarHBondContact SG-NE2 3.29Å; C124-H137 VanDerWaalsContact SG-NE2 3.39Å; F128-H137 HydrophobicContact CE1-CB 4.16Å; F128-H137 HydrophobicContact CE2-CB 4.03Å; F128-H137 AromaticContact CE2-CD2 3.25Å; F128-H137 WeakPolarHBondContact CE2-CD2 3.34Å; F128-H137 AromaticContact CE2-CG 3.78Å; F128-H137 HydrophobicContact CZ-CB 3.62Å; F128-H137 AromaticContact CZ-CD2 3.3Å; F128-H137 WeakPolarHBondContact CZ-CD2 3.37Å; F128-H137 AromaticContact CZ-CG 3.4Å; H133-H137 WeakPolarHBondContact O-CB 3.19Å; H133-H137 PolarHBondContact O-N 3.41Å; H133-H137 VanDerWaalsContact O-N 3.08Å; L134-H137 CarbonylContact O-C 3.35Å; L134-H137 WeakPolarHBondContact O-CA 3.4Å; L134-H137 WeakPolarHBondContact O-CB 3.38Å; L134-H137 PolarHBondContact O-N 2.84Å; K135-H137 PolarHBondContact O-N 3.11Å; H137-Q139 PolarHBondContact O-N 2.68Å; H137-T140 PolarHBondContact CE1-OG1 3.23Å; H137-T140 PolarHBondContact ND1-OG1 3.35Å; H137-T140 WeakPolarHBondContact O-CA 3.29Å; H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.25Å; H137-T140 PolarHBondContact O-OG1 2.86Å; H137-H141 AromaticContact CD2-NE2 3.82Å; H137-H141 AromaticContact CE1-CD2 3.73Å; H137-H141 AromaticContact CE1-CE1 3.99Å; H137-H141 AromaticContact CE1-NE2 3.12Å; H137-H141 PolarHBondContact CE1-NE2 2.9Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-CE1 3.98Å; H137-H141 AromaticContact NE2-NE2 2.95Å; H137-H141 PolarHBondContact NE2-NE2 3.01Å; H137-H141 PolarHBondContact O-CD2 3.2Å
138L74.6Confident69.5Low48 Ų4880.9 Ų80.925%0.25141%0.405SS..Hα-helixtrans-59-37.5170.3-66.9170.1000110.3F123 L134 K135 T140 H141 D142F123-L138 HydrophobicContact CD2-CD2 3.82Å; F123-L138 HydrophobicContact CE2-CD2 4.04Å; L134-L138 HydrophobicContact CD1-CD1 4.17Å; L134-L138 HydrophobicContact CD1-CD2 4.19Å; L134-L138 HydrophobicContact CD1-CG 3.9Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 HydrophobicContact CG-CG 4.24Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 2.8Å; K135-L138 PolarHBondContact O-N 2.77Å; L138-T140 PolarHBondContact O-N 3.18Å; L138-H141 PolarHBondContact O-N 3.44Å; L138-D142 PolarHBondContact O-N 3.18Å; L138-D142 VanDerWaalsContact O-N 3.1Å
139Q67.9Low69.3Low51 Ų5184.2 Ų84.224%0.23842%0.419CS..THydrogen-bonded Turntrans-62.40.1168.1-66-179.8-3.500115.8K135 H137 D142 K145K135-Q139 WeakPolarHBondContact O-CG 3.36Å; K135-Q139 PolarHBondContact O-N 2.88Å; H137-Q139 PolarHBondContact O-N 2.68Å; Q139-D142 WeakPolarHBondContact CA-OD2 3.22Å; Q139-K145 HydrophobicContact CB-CD 4.09Å; Q139-K145 HydrophobicContact CG-CD 3.87Å
140T66.4Low69.4Low72 Ų7282 Ų8244%0.44241%0.409SS..THydrogen-bonded Turntrans-109.5-2169.467.60000113.4H137 L138H137-T140 PolarHBondContact CE1-OG1 3.23Å; H137-T140 PolarHBondContact ND1-OG1 3.35Å; H137-T140 WeakPolarHBondContact O-CA 3.29Å; H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.25Å; H137-T140 PolarHBondContact O-OG1 2.86Å; L138-T140 PolarHBondContact O-N 3.18Å
141H65.9Low69.4Low58 Ų5887.3 Ų87.327%0.26944%0.437SS..THydrogen-bonded Turntrans-102.7-27.9168.6-66.2-77.5000112.1C121 F123 C124 H137 L138 P143C121-H141 VanDerWaalsContact SG-CD2 3.53Å; C121-H141 PolarHBondContact SG-NE2 3.2Å; F123-H141 HydrophobicContact CB-CB 4.1Å; F123-H141 HydrophobicContact CD2-CB 3.69Å; F123-H141 AromaticContact CD2-CG 3.96Å; F123-H141 HydrophobicContact CE2-CB 4.39Å; F123-H141 HydrophobicContact CG-CB 4.04Å; C124-H141 VanDerWaalsContact SG-CE1 3.53Å; C124-H141 PolarHBondContact SG-NE2 3.1Å; C124-H141 VanDerWaalsContact SG-NE2 3.42Å; H137-H141 AromaticContact CD2-NE2 3.82Å; H137-H141 AromaticContact CE1-CD2 3.73Å; H137-H141 AromaticContact CE1-CE1 3.99Å; H137-H141 AromaticContact CE1-NE2 3.12Å; H137-H141 PolarHBondContact CE1-NE2 2.9Å; H137-H141 AromaticContact NE2-CD2 3.71Å; H137-H141 AromaticContact NE2-CE1 3.98Å; H137-H141 AromaticContact NE2-NE2 2.95Å; H137-H141 PolarHBondContact NE2-NE2 3.01Å; H137-H141 PolarHBondContact O-CD2 3.2Å; L138-H141 PolarHBondContact O-N 3.44Å; H141-P143 WeakPolarHBondContact O-CD 3.48Å; H141-P143 VanDerWaalsContact O-N 3.15Å
142D65.2Low69.2Low71 Ų7185.9 Ų85.938%0.3843%0.433SS..  trans-61.1107.1172.6-57.4-37.6000110.6L138 Q139 K145L138-D142 PolarHBondContact O-N 3.18Å; L138-D142 VanDerWaalsContact O-N 3.1Å; Q139-D142 WeakPolarHBondContact CA-OD2 3.22Å; D142-K145 HydrophobicContact CB-CB 3.74Å; D142-K145 HydrophobicContact CB-CD 4.47Å
143P58.1Low69.1Low135 Ų13585.1 Ų85.188%0.87743%0.431SS*.THydrogen-bonded Turntrans-80.7-24.5-177.734.1-33.8000112H141 K145H141-P143 WeakPolarHBondContact O-CD 3.48Å; H141-P143 VanDerWaalsContact O-N 3.15Å; P143-K145 VanDerWaalsContact C-N 3.35Å
144N53.4Low68.9Low156 Ų15682.8 Ų82.883%0.83443%0.43SS*.THydrogen-bonded Turntrans-95.916.1-176.6-163.832.5000112.8E146N144-E146 PolarHBondContact O-N 3.19Å
145K56.2Low68.7Low84 Ų8486.4 Ų86.437%0.36544%0.444SS..SBendtrans-89111.9-179.5-166.8176.4-166.1-48.20109.3Q139 D142 P143 A147Q139-K145 HydrophobicContact CB-CD 4.09Å; Q139-K145 HydrophobicContact CG-CD 3.87Å; D142-K145 HydrophobicContact CB-CB 3.74Å; D142-K145 HydrophobicContact CB-CD 4.47Å; P143-K145 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 2.78Å
146E56.3Low68.5Low182 Ų18285.9 Ų85.985%0.8544%0.444SS*.  trans-44.6110.2-179.1-70.2-162.4141.200111.7N144 F148N144-E146 PolarHBondContact O-N 3.19Å; E146-F148 PolarHBondContact O-N 3.45Å
147A62.1Low68.4Low38 Ų3884.6 Ų84.631%0.31443%0.433SS..  trans-78.8120.7176.600000107.2K145 K149 H156 Y157K145-A147 PolarHBondContact O-N 2.78Å; A147-K149 PolarHBondContact O-N 3.17Å; A147-H156 HydrophobicContact CB-CB 3.83Å; A147-Y157 CarbonylContact C-O 3.54Å; A147-Y157 WeakPolarHBondContact CA-O 3.45Å
148F69.2Low67.9Low68 Ų6887.7 Ų87.730%0.29845%0.45SS..EExtended strand (participates in β ladder)trans-52.3104.1-179-62.8-83.6000109.7E146 Y157 K160 Y163E146-F148 PolarHBondContact O-N 3.45Å; F148-Y157 WeakPolarHBondContact CD2-O 3.48Å; F148-Y157 PolarHBondContact N-O 2.84Å; F148-Y157 PolarHBondContact O-N 2.94Å; F148-K160 HydrophobicContact CD2-CB 4.46Å; F148-K160 HydrophobicContact CE1-CB 4.47Å; F148-K160 HydrophobicContact CE1-CG 4.33Å; F148-K160 HydrophobicContact CE2-CB 3.78Å; F148-K160 HydrophobicContact CE2-CG 4.49Å; F148-K160 HydrophobicContact CZ-CB 3.78Å; F148-K160 HydrophobicContact CZ-CD 4.27Å; F148-K160 HydrophobicContact CZ-CG 4.08Å; F148-Y163 HydrophobicContact CB-CD1 4.21Å; F148-Y163 HydrophobicContact CB-CD2 3.57Å; F148-Y163 HydrophobicContact CB-CE2 4.29Å; F148-Y163 HydrophobicContact CB-CG 3.53Å; F148-Y163 HydrophobicContact CG-CG 4.19Å
149K74.8Confident67.7Low119 Ų11987.7 Ų87.752%0.51745%0.452SS..EExtended strand (participates in β ladder)trans-79.8128.5-179.6179-169.3170-162.90108.4A147 K155 Y163A147-K149 PolarHBondContact O-N 3.17Å; K149-K155 CarbonylContact C-O 3.24Å; K149-K155 WeakPolarHBondContact CA-O 3.45Å; K149-Y163 WeakPolarHBondContact O-CE2 3.45Å
150C77.6Confident67.8Low4 Ų491.9 Ų91.93%0.02747%0.47CS..  trans-74.8122.2162.8179.90000109.2E152 G154 K155 Y163 H166C150-E152 VanDerWaalsContact C-N 3.29Å; C150-E152 PolarHBondContact SG-N 2.64Å; C150-G154 WeakPolarHBondContact O-CA 3.34Å; C150-G154 PolarHBondContact O-N 3.42Å; C150-K155 PolarHBondContact N-O 3.09Å; C150-Y163 HydrophobicContact CB-CE2 4.36Å; C150-H166 WeakPolarHBondContact CB-NE2 3.23Å
151E74.6Confident67.9Low172 Ų17294.5 Ų94.580%0.80448%0.48SS*.THydrogen-bonded Turntrans-65.7-36.8177-66.1170160.200110.9C153E151-C153 PolarHBondContact O-N 3.42Å
152E69.4Low68.2Low126 Ų12692.4 Ų92.459%0.58947%0.474SS*.THydrogen-bonded Turntrans-75.8-14.7-175.6-150.8-17712800114.9C150 H170C150-E152 VanDerWaalsContact C-N 3.29Å; C150-E152 PolarHBondContact SG-N 2.64Å; E152-H170 WeakPolarHBondContact OE1-CB 3.18Å; E152-H170 IonicContact OE1-CE1 2.84Å; E152-H170 IonicContact OE1-CG 2.7Å; E152-H170 IonicContact OE1-ND1 2.66Å; E152-H170 PolarHBondContact OE1-ND1 3.03Å; E152-H170 WeakPolarHBondContact OE2-CB 3.38Å; E152-H170 IonicContact OE2-CG 2.69Å; E152-H170 IonicContact OE2-ND1 3.75Å
153C74.4Confident68.7Low47 Ų4791.9 Ų91.932%0.31847%0.467SS..THydrogen-bonded Turntrans-151.114.7172.373.50000116.8E151 K155 H166 H170E151-C153 PolarHBondContact O-N 3.42Å; C153-K155 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact SG-NZ 2.97Å; C153-H166 PolarHBondContact SG-CE1 3.32Å; C153-H166 PolarHBondContact SG-NE2 3.14Å; C153-H170 PolarHBondContact SG-NE2 2.96Å
154G72.2Confident69.3Low34 Ų3492.5 Ų92.535%0.35146%0.456SS..  trans66.55.6174.700000116.5C150 H156C150-G154 WeakPolarHBondContact O-CA 3.34Å; C150-G154 PolarHBondContact O-N 3.42Å; G154-H156 PolarHBondContact O-CE1 3.4Å; G154-H156 PolarHBondContact O-ND1 3.36Å; G154-H156 VanDerWaalsContact O-ND1 3.12Å
155K73.4Confident70.2Confident105 Ų10589.2 Ų89.246%0.45743%0.432SS..  trans-77.4135.9-177-67.6-176.9-168.486.80111.7K149 C150 C153 Y157K149-K155 CarbonylContact C-O 3.24Å; K149-K155 WeakPolarHBondContact CA-O 3.45Å; C150-K155 PolarHBondContact N-O 3.09Å; C153-K155 PolarHBondContact O-N 3.41Å; C153-K155 PolarHBondContact SG-NZ 2.97Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 WeakPolarHBondContact O-CD2 3.22Å
156H73.3Confident71.2Confident128 Ų12885.7 Ų85.759%0.59342%0.417SS*.EExtended strand (participates in β ladder)trans-102.5131.4-174.1-66.991.9000111.9A147 G154A147-H156 HydrophobicContact CB-CB 3.83Å; G154-H156 PolarHBondContact O-CE1 3.4Å; G154-H156 PolarHBondContact O-ND1 3.36Å; G154-H156 VanDerWaalsContact O-ND1 3.12Å
157Y73.8Confident72.1Confident59 Ų5979.4 Ų79.423%0.23139%0.391CS..EExtended strand (participates in β ladder)trans-125.1121.5-177.2-66.9-94.2000112.3A147 F148 K155 T159 Y163 H166A147-Y157 CarbonylContact C-O 3.54Å; A147-Y157 WeakPolarHBondContact CA-O 3.45Å; F148-Y157 WeakPolarHBondContact CD2-O 3.48Å; F148-Y157 PolarHBondContact N-O 2.84Å; F148-Y157 PolarHBondContact O-N 2.94Å; K155-Y157 HydrophobicContact CB-CE2 3.55Å; K155-Y157 WeakPolarHBondContact O-CD2 3.22Å; Y157-T159 PolarHBondContact O-N 2.94Å; Y157-T159 VanDerWaalsContact O-N 3.14Å; Y157-Y163 HydrophobicContact CD2-CD2 4.45Å; Y157-H166 AromaticContact CD2-CD2 3.86Å; Y157-H166 HydrophobicContact CE1-CB 4Å; Y157-H166 HydrophobicContact CE2-CB 4Å; Y157-H166 AromaticContact CE2-CD2 3.01Å; Y157-H166 WeakPolarHBondContact CE2-CD2 3.35Å; Y157-H166 AromaticContact CE2-CG 3.6Å; Y157-H166 AromaticContact CE2-NE2 3.67Å; Y157-H166 AromaticContact CZ-CD2 3.4Å; Y157-H166 VanDerWaalsContact CZ-CD2 3.4Å; Y157-H166 AromaticContact CZ-CG 3.46Å; Y157-H166 VanDerWaalsContact CZ-CG 3.46Å; Y157-H166 PolarHBondContact OH-CD2 2.82Å; Y157-H166 VanDerWaalsContact OH-CG 3.26Å
158N67.4Low72.4Confident85 Ų8578 Ų7846%0.45538%0.38SS..SBendtrans-68.7-7.1177.564.11.6000114.9
159T69.9Low72.3Confident47 Ų4777.5 Ų77.529%0.28838%0.379SS..SBendtrans-137.8135.2-176.451.10000112.7Y157 L161 G162 Y163Y157-T159 PolarHBondContact O-N 2.94Å; Y157-T159 VanDerWaalsContact O-N 3.14Å; T159-L161 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact O-N 3.16Å; T159-G162 WeakPolarHBondContact O-CA 3.43Å; T159-G162 PolarHBondContact O-N 2.84Å; T159-Y163 PolarHBondContact O-N 2.84Å
160K69.9Low72Confident140 Ų14073 Ų7361%0.60936%0.36SS*.Hα-helixtrans-58.6-29.2179.9-165.6167.7-175.7168.70113.1F148 K164F148-K160 HydrophobicContact CD2-CB 4.46Å; F148-K160 HydrophobicContact CE1-CB 4.47Å; F148-K160 HydrophobicContact CE1-CG 4.33Å; F148-K160 HydrophobicContact CE2-CB 3.78Å; F148-K160 HydrophobicContact CE2-CG 4.49Å; F148-K160 HydrophobicContact CZ-CB 3.78Å; F148-K160 HydrophobicContact CZ-CD 4.27Å; F148-K160 HydrophobicContact CZ-CG 4.08Å; K160-K164 PolarHBondContact O-N 3.42Å; K160-K164 VanDerWaalsContact O-N 3.07Å
161L68.6Low71.6Confident126 Ų12674.5 Ų74.566%0.6637%0.37SS*.Hα-helixtrans-79.2-28.3175.1-175.163.8000113.3T159 R165T159-L161 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact O-N 3.16Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 PolarHBondContact O-N 3.25Å
162G71.9Confident70.9Confident14 Ų1466.3 Ų66.314%0.14433%0.332CS..Hα-helixtrans-68.2-48.816900000110.4T159 R165 H166T159-G162 WeakPolarHBondContact O-CA 3.43Å; T159-G162 PolarHBondContact O-N 2.84Å; G162-R165 PolarHBondContact O-N 3.48Å; G162-H166 PolarHBondContact O-N 2.87Å
163Y75.9Confident70.6Confident60 Ų6064.2 Ų64.224%0.23533%0.328CS..Hα-helixtrans-54.7-56.6176.3-177.9-111.5000113.1F148 K149 C150 Y157 T159 R165 H166 V167F148-Y163 HydrophobicContact CB-CD1 4.21Å; F148-Y163 HydrophobicContact CB-CD2 3.57Å; F148-Y163 HydrophobicContact CB-CE2 4.29Å; F148-Y163 HydrophobicContact CB-CG 3.53Å; F148-Y163 HydrophobicContact CG-CG 4.19Å; K149-Y163 WeakPolarHBondContact O-CE2 3.45Å; C150-Y163 HydrophobicContact CB-CE2 4.36Å; Y157-Y163 HydrophobicContact CD2-CD2 4.45Å; T159-Y163 PolarHBondContact O-N 2.84Å; Y163-R165 PolarHBondContact O-N 2.95Å; Y163-H166 WeakPolarHBondContact O-CB 3.35Å; Y163-H166 PolarHBondContact O-N 3.18Å; Y163-V167 HydrophobicContact CD1-CG2 4.39Å; Y163-V167 HydrophobicContact CD2-CG2 4.22Å; Y163-V167 HydrophobicContact CE1-CG2 3.94Å; Y163-V167 HydrophobicContact CE2-CG2 3.74Å; Y163-V167 PolarHBondContact O-N 3.29Å
164K71.3Confident70.1Confident148 Ų14866 Ų6664%0.64335%0.346SS*.Hα-helixtrans-57-35.1179.6-81.3-159.7168.1-157.40113.5K160 A168K160-K164 PolarHBondContact O-N 3.42Å; K160-K164 VanDerWaalsContact O-N 3.07Å; K164-A168 PolarHBondContact O-N 3.01Å
165R71.5Confident69.6Low88 Ų8866.7 Ų66.733%0.33235%0.353SS..Hα-helixtrans-71.7-34.9177-167.1-173.8-43.9162.821.1112.2L161 G162 Y163 H199L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 PolarHBondContact O-N 3.25Å; G162-R165 PolarHBondContact O-N 3.48Å; Y163-R165 PolarHBondContact O-N 2.95Å; R165-H199 WeakPolarHBondContact CD-O 3.45Å; R165-H199 PolarHBondContact NH1-O 2.99Å
166H77.3Confident69.3Low10 Ų1064.6 Ų64.65%0.04635%0.347CS..Hα-helixtrans-72.2-42.6177.2169.143000112.4C150 C153 Y157 G162 Y163 A168 M169 H170C150-H166 WeakPolarHBondContact CB-NE2 3.23Å; C153-H166 PolarHBondContact SG-CE1 3.32Å; C153-H166 PolarHBondContact SG-NE2 3.14Å; Y157-H166 AromaticContact CD2-CD2 3.86Å; Y157-H166 HydrophobicContact CE1-CB 4Å; Y157-H166 HydrophobicContact CE2-CB 4Å; Y157-H166 AromaticContact CE2-CD2 3.01Å; Y157-H166 WeakPolarHBondContact CE2-CD2 3.35Å; Y157-H166 AromaticContact CE2-CG 3.6Å; Y157-H166 AromaticContact CE2-NE2 3.67Å; Y157-H166 AromaticContact CZ-CD2 3.4Å; Y157-H166 VanDerWaalsContact CZ-CD2 3.4Å; Y157-H166 AromaticContact CZ-CG 3.46Å; Y157-H166 VanDerWaalsContact CZ-CG 3.46Å; Y157-H166 PolarHBondContact OH-CD2 2.82Å; Y157-H166 VanDerWaalsContact OH-CG 3.26Å; G162-H166 PolarHBondContact O-N 2.87Å; Y163-H166 WeakPolarHBondContact O-CB 3.35Å; Y163-H166 PolarHBondContact O-N 3.18Å; H166-A168 PolarHBondContact O-N 3Å; H166-M169 WeakPolarHBondContact O-CA 3.01Å; H166-M169 VanDerWaalsContact O-CB 3.22Å; H166-M169 WeakPolarHBondContact O-CB 3.49Å; H166-M169 PolarHBondContact O-N 3.41Å; H166-H170 AromaticContact CE1-CD2 3.41Å; H166-H170 PolarHBondContact CE1-CD2 3.5Å; H166-H170 VanDerWaalsContact CE1-CD2 3.41Å; H166-H170 AromaticContact CE1-NE2 3.16Å; H166-H170 PolarHBondContact CE1-NE2 2.86Å; H166-H170 AromaticContact ND1-CD2 3.94Å; H166-H170 AromaticContact NE2-CD2 3.91Å; H166-H170 AromaticContact NE2-NE2 3.67Å; H166-H170 PolarHBondContact O-N 3.19Å
167V74.9Confident69.3Low49 Ų4961.2 Ų61.230%0.29733%0.333SS..Hα-helixtrans-60.8-34174.1177.50000111.1Y163 M169 H170 S171Y163-V167 HydrophobicContact CD1-CG2 4.39Å; Y163-V167 HydrophobicContact CD2-CG2 4.22Å; Y163-V167 HydrophobicContact CE1-CG2 3.94Å; Y163-V167 HydrophobicContact CE2-CG2 3.74Å; Y163-V167 PolarHBondContact O-N 3.29Å; V167-M169 PolarHBondContact O-N 3.45Å; V167-H170 WeakPolarHBondContact O-CA 3.44Å; V167-H170 WeakPolarHBondContact O-CB 3.5Å; V167-H170 PolarHBondContact O-N 2.94Å; V167-S171 PolarHBondContact O-N 2.97Å; V167-S171 PolarHBondContact O-OG 3.02Å
168A70Confident68.7Low10 Ų1060.8 Ų60.88%0.08334%0.337CS..Hα-helixtrans-64.6-15.9171.400000114.5K164 H166 A172 K180 V181 L196K164-A168 PolarHBondContact O-N 3.01Å; H166-A168 PolarHBondContact O-N 3Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 2.66Å; A168-K180 HydrophobicContact CB-CB 4.36Å; A168-V181 HydrophobicContact CB-CG2 4.44Å; A168-L196 WeakPolarHBondContact O-CD1 3.44Å
169M66.5Low68.6Low56 Ų5656.8 Ų56.828%0.27632%0.315SS..Hα-helixtrans-80.8-24.3169.1-53.7179.565.200112.7H166 V167 T173 L193 L196H166-M169 WeakPolarHBondContact O-CA 3.01Å; H166-M169 VanDerWaalsContact O-CB 3.22Å; H166-M169 WeakPolarHBondContact O-CB 3.49Å; H166-M169 PolarHBondContact O-N 3.41Å; V167-M169 PolarHBondContact O-N 3.45Å; M169-T173 PolarHBondContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.34Å; M169-L193 HydrophobicContact CB-CD2 4.41Å; M169-L193 HydrophobicContact CE-CD2 4.45Å; M169-L196 HydrophobicContact CB-CD1 4.38Å; M169-L196 HydrophobicContact CG-CB 4.17Å; M169-L196 HydrophobicContact CG-CD1 4.12Å
170H67.3Low68.2Low25 Ų2559.8 Ų59.812%0.11632%0.324CS..Hα-helixtrans-75.4-46.6174.9-82.8-78.1000111E152 C153 H166 V167 A172 T173 A174E152-H170 WeakPolarHBondContact OE1-CB 3.18Å; E152-H170 IonicContact OE1-CE1 2.84Å; E152-H170 IonicContact OE1-CG 2.7Å; E152-H170 IonicContact OE1-ND1 2.66Å; E152-H170 PolarHBondContact OE1-ND1 3.03Å; E152-H170 WeakPolarHBondContact OE2-CB 3.38Å; E152-H170 IonicContact OE2-CG 2.69Å; E152-H170 IonicContact OE2-ND1 3.75Å; C153-H170 PolarHBondContact SG-NE2 2.96Å; H166-H170 AromaticContact CE1-CD2 3.41Å; H166-H170 PolarHBondContact CE1-CD2 3.5Å; H166-H170 VanDerWaalsContact CE1-CD2 3.41Å; H166-H170 AromaticContact CE1-NE2 3.16Å; H166-H170 PolarHBondContact CE1-NE2 2.86Å; H166-H170 AromaticContact ND1-CD2 3.94Å; H166-H170 AromaticContact NE2-CD2 3.91Å; H166-H170 AromaticContact NE2-NE2 3.67Å; H166-H170 PolarHBondContact O-N 3.19Å; V167-H170 WeakPolarHBondContact O-CA 3.44Å; V167-H170 WeakPolarHBondContact O-CB 3.5Å; V167-H170 PolarHBondContact O-N 2.94Å; H170-A172 VanDerWaalsContact C-N 3.26Å; H170-A172 PolarHBondContact O-N 2.91Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.34Å; H170-T173 PolarHBondContact O-N 3.34Å; H170-A174 PolarHBondContact O-N 3.21Å
171S69.3Low67.7Low35 Ų3556.4 Ų56.425%0.24532%0.315CS..Hα-helixtrans-51.5-46.6169.4-44.10000111.8V167 T173 A174 D176V167-S171 PolarHBondContact O-N 2.97Å; V167-S171 PolarHBondContact O-OG 3.02Å; S171-T173 PolarHBondContact O-N 2.97Å; S171-A174 PolarHBondContact O-N 3.23Å; S171-A174 VanDerWaalsContact O-N 3.14Å; S171-D176 WeakPolarHBondContact O-CB 3.46Å; S171-D176 PolarHBondContact O-N 2.6Å
172A61.7Low67.3Low1 Ų152.6 Ų52.61%0.00830%0.299CS..THydrogen-bonded Turntrans-61.5-22.4176.200000115.5A168 H170 T189 L192 L193 L196A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 2.66Å; H170-A172 VanDerWaalsContact C-N 3.26Å; H170-A172 PolarHBondContact O-N 2.91Å; A172-T189 WeakPolarHBondContact O-CG2 3.3Å; A172-L192 HydrophobicContact CB-CD1 4.5Å; A172-L192 HydrophobicContact CB-CD2 3.33Å; A172-L192 HydrophobicContact CB-CG 3.6Å; A172-L193 HydrophobicContact CB-CD2 4.34Å; A172-L196 HydrophobicContact CB-CD1 3.43Å; A172-L196 VanDerWaalsContact CB-CD1 3.43Å
173T61.7Low66.9Low82 Ų8260 Ų6050%0.50333%0.332SS..THydrogen-bonded Turntrans-89.9-33.4175.9-51.70000110.8M169 H170 S171 G175M169-T173 PolarHBondContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.34Å; H170-T173 WeakPolarHBondContact O-CA 3.43Å; H170-T173 WeakPolarHBondContact O-CB 3.34Å; H170-T173 PolarHBondContact O-N 3.34Å; S171-T173 PolarHBondContact O-N 2.97Å; T173-G175 PolarHBondContact O-N 3.16Å; T173-G175 VanDerWaalsContact O-N 3.16Å
174A63.8Low66.2Low84 Ų8462.1 Ų62.169%0.69434%0.344SS*.THydrogen-bonded Turntrans-75.711.7178.200000115H170 S171H170-A174 PolarHBondContact O-N 3.21Å; S171-A174 PolarHBondContact O-N 3.23Å; S171-A174 VanDerWaalsContact O-N 3.14Å
175G63.1Low65.9Low48 Ų4859.3 Ų59.350%0.49534%0.343SS..THydrogen-bonded Turntrans98.4-3.5177.300000115.3T173 L177T173-G175 PolarHBondContact O-N 3.16Å; T173-G175 VanDerWaalsContact O-N 3.16Å; G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 3.24Å
176D66.1Low65.9Low62 Ų6257.3 Ų57.333%0.33234%0.335SS..  trans-77.882.4178.8-145.3-9.9000109.4S171 T178 K180 L192S171-D176 WeakPolarHBondContact O-CB 3.46Å; S171-D176 PolarHBondContact O-N 2.6Å; D176-T178 PolarHBondContact O-N 2.77Å; D176-T178 PolarHBondContact OD1-OG1 2.77Å; D176-K180 IonicContact OD1-NZ 3.65Å; D176-K180 PolarHBondContact OD1-NZ 3.15Å; D176-K180 WeakPolarHBondContact OD2-CE 3.48Å; D176-K180 IonicContact OD2-NZ 3.39Å; D176-K180 PolarHBondContact OD2-NZ 3.07Å; D176-L192 WeakPolarHBondContact O-CD2 3.44Å
177L73.5Confident65.6Low56 Ų5664.9 Ų64.929%0.29337%0.371SS..  trans-64.99.4-176.2-62.2-178.1000114.4G175 S185 Y186 S188 T189G175-L177 VanDerWaalsContact C-N 3.33Å; G175-L177 PolarHBondContact O-N 3.24Å; L177-S185 CarbonylContact O-C 3.46Å; L177-S185 WeakPolarHBondContact O-CA 2.85Å; L177-Y186 WeakPolarHBondContact CB-O 3.47Å; L177-Y186 WeakPolarHBondContact CD1-O 3.46Å; L177-Y186 PolarHBondContact O-N 2.94Å; L177-S188 VanDerWaalsContact CD2-C 3.46Å; L177-T189 HydrophobicContact CD2-CG2 3.69Å
178T61.8Low65.5Low51 Ų5164.3 Ų64.331%0.31337%0.369SS..BIsolated β-bridgetrans-103.7121.2178.155.80000111.6D176 K180D176-T178 PolarHBondContact O-N 2.77Å; D176-T178 PolarHBondContact OD1-OG1 2.77Å; T178-K180 PolarHBondContact O-N 2.82Å; T178-K180 PolarHBondContact OG1-NZ 3.2Å
179C65.6Low65.4Low1 Ų166.3 Ų66.31%0.00738%0.38CS..  trans-71.5104.7174.5-1790000110.5V181 C182 M183 Q184 Y186 L192 L196C179-V181 PolarHBondContact O-N 2.7Å; C179-C182 WeakPolarHBondContact CB-SG 3.41Å; C179-C182 PolarHBondContact O-N 3.18Å; C179-M183 VanDerWaalsContact O-CA 3.28Å; C179-M183 WeakPolarHBondContact O-CA 3.28Å; C179-M183 PolarHBondContact O-N 3.27Å; C179-Q184 PolarHBondContact N-O 2.99Å; C179-Y186 HydrophobicContact CB-CE2 4Å; C179-L192 HydrophobicContact CB-CD1 3.56Å; C179-L196 WeakPolarHBondContact SG-CD2 3.45Å
180K60.8Low65.7Low109 Ų10967.7 Ų67.747%0.47439%0.393SS..THydrogen-bonded Turntrans-63.75.8178.2-45.1-58-175-171.60115.3A168 D176 T178A168-K180 HydrophobicContact CB-CB 4.36Å; D176-K180 IonicContact OD1-NZ 3.65Å; D176-K180 PolarHBondContact OD1-NZ 3.15Å; D176-K180 WeakPolarHBondContact OD2-CE 3.48Å; D176-K180 IonicContact OD2-NZ 3.39Å; D176-K180 PolarHBondContact OD2-NZ 3.07Å; T178-K180 PolarHBondContact O-N 2.82Å; T178-K180 PolarHBondContact OG1-NZ 3.2Å
181V58.8Low66Low70 Ų7069 Ų6942%0.42440%0.403SS..THydrogen-bonded Turntrans-106.2-30.5177.9-171.90000112.7A168 C179 L196A168-V181 HydrophobicContact CB-CG2 4.44Å; C179-V181 PolarHBondContact O-N 2.7Å; V181-L196 HydrophobicContact CG2-CD2 4.38Å
182C60.5Low66.2Low46 Ų4667.4 Ų67.431%0.31139%0.391SS..THydrogen-bonded Turntrans-126.6-2.3178.967.50000113.9C179 Q184 H195C179-C182 WeakPolarHBondContact CB-SG 3.41Å; C179-C182 PolarHBondContact O-N 3.18Å; C182-Q184 PolarHBondContact O-N 3.45Å; C182-Q184 VanDerWaalsContact O-N 3.15Å; C182-H195 PolarHBondContact SG-NE2 3.3Å
183M64Low66.5Low170 Ų17069.9 Ų69.984%0.83740%0.404SS*.  trans60.910.5-177.5-57.6-179.668.200115.9C179C179-M183 VanDerWaalsContact O-CA 3.28Å; C179-M183 WeakPolarHBondContact O-CA 3.28Å; C179-M183 PolarHBondContact O-N 3.27Å
184Q59.8Low67Low104 Ų10471 Ų7149%0.48640%0.404SS..  trans-74.4135.5173.1-64.9-179.2-4.700111C179 C182 Y186C179-Q184 PolarHBondContact N-O 2.99Å; C182-Q184 PolarHBondContact O-N 3.45Å; C182-Q184 VanDerWaalsContact O-N 3.15Å; Q184-Y186 HydrophobicContact CB-CE2 3.98Å; Q184-Y186 VanDerWaalsContact CB-OH 3.29Å; Q184-Y186 WeakPolarHBondContact CB-OH 3.4Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.37Å; Q184-Y186 PolarHBondContact OE1-OH 3.07Å
185S66.5Low67.5Low89 Ų8967.7 Ų67.762%0.62237%0.374SS*.BIsolated β-bridgetrans-84156.8165.446.80000111.4L177L177-S185 CarbonylContact O-C 3.46Å; L177-S185 WeakPolarHBondContact O-CA 2.85Å
186Y71.7Confident67.6Low46 Ų4665.5 Ų65.518%0.1835%0.351CS..  trans-133.2164.5174.3-60.9-81.2000110.2L177 C179 Q184 V191 L192 H195L177-Y186 WeakPolarHBondContact CB-O 3.47Å; L177-Y186 WeakPolarHBondContact CD1-O 3.46Å; L177-Y186 PolarHBondContact O-N 2.94Å; C179-Y186 HydrophobicContact CB-CE2 4Å; Q184-Y186 HydrophobicContact CB-CE2 3.98Å; Q184-Y186 VanDerWaalsContact CB-OH 3.29Å; Q184-Y186 WeakPolarHBondContact CB-OH 3.4Å; Q184-Y186 WeakPolarHBondContact O-CE2 3.37Å; Q184-Y186 PolarHBondContact OE1-OH 3.07Å; Y186-V191 HydrophobicContact CD1-CG1 3.77Å; Y186-V191 HydrophobicContact CG-CG1 4.32Å; Y186-L192 HydrophobicContact CD2-CB 3.8Å; Y186-L192 HydrophobicContact CD2-CD1 3.54Å; Y186-L192 HydrophobicContact CD2-CG 4.14Å; Y186-L192 HydrophobicContact CE2-CD1 3.67Å; Y186-L192 HydrophobicContact CG-CB 4.15Å; Y186-H195 HydrophobicContact CE1-CB 4.23Å; Y186-H195 HydrophobicContact CE2-CB 4.22Å; Y186-H195 AromaticContact CE2-CD2 3.77Å; Y186-H195 AromaticContact CE2-CG 3.96Å; Y186-H195 AromaticContact CZ-CD2 3.67Å; Y186-H195 AromaticContact CZ-CG 3.5Å; Y186-H195 AromaticContact CZ-ND1 3.91Å; Y186-H195 PolarHBondContact OH-CD2 2.85Å; Y186-H195 PolarHBondContact OH-CE1 3.36Å; Y186-H195 PolarHBondContact OH-ND1 2.94Å; Y186-H195 PolarHBondContact OH-NE2 3.42Å
187E71Confident67.8Low169 Ų16968.3 Ų68.379%0.7936%0.36SS*.SBendtrans-81-18.5179.369.4-150.5147.700113.7
188S71.3Confident67.3Low36 Ų3667.2 Ų67.225%0.25236%0.357SS..SBendtrans-155.8153-175.868.80000113.6L177 V191 L192L177-S188 VanDerWaalsContact CD2-C 3.46Å; S188-V191 PolarHBondContact O-N 2.84Å; S188-V191 WeakPolarHBondContact OG-CG2 3.43Å; S188-L192 PolarHBondContact O-N 3.14Å; S188-L192 VanDerWaalsContact O-N 3.16Å
189T69.5Low67.3Low53 Ų5367.1 Ų67.133%0.32535%0.353SS..Hα-helixtrans-59.7-40.5178.5560000114.4A172 L177 V191 L192 L193A172-T189 WeakPolarHBondContact O-CG2 3.3Å; L177-T189 HydrophobicContact CD2-CG2 3.69Å; T189-V191 PolarHBondContact O-N 3.46Å; T189-L192 PolarHBondContact O-N 3.5Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.12Å
190P73.1Confident66.9Low84 Ų8470.8 Ų70.855%0.54538%0.379SS..Hα-helixtrans-63-39.3175.823.1-34.7000113.2L193 E194P190-L193 PolarHBondContact O-N 2.83Å; P190-E194 PolarHBondContact O-N 3.39Å
191V72.6Confident66.6Low54 Ų5468.6 Ų68.633%0.32739%0.387SS..Hα-helixtrans-66-41.8178.3175.80000110.8Y186 S188 T189 E194 H195Y186-V191 HydrophobicContact CD1-CG1 3.77Å; Y186-V191 HydrophobicContact CG-CG1 4.32Å; S188-V191 PolarHBondContact O-N 2.84Å; S188-V191 WeakPolarHBondContact OG-CG2 3.43Å; T189-V191 PolarHBondContact O-N 3.46Å; V191-E194 PolarHBondContact O-N 2.93Å; V191-H195 WeakPolarHBondContact O-CB 3.25Å; V191-H195 PolarHBondContact O-N 3.16Å
192L72.5Confident66.1Low0 Ų073.4 Ų73.40%040%0.402CS..Hα-helixtrans-65.6-38.4173.417357.7000112.5A172 D176 C179 Y186 S188 T189 H195 L196A172-L192 HydrophobicContact CB-CD1 4.5Å; A172-L192 HydrophobicContact CB-CD2 3.33Å; A172-L192 HydrophobicContact CB-CG 3.6Å; D176-L192 WeakPolarHBondContact O-CD2 3.44Å; C179-L192 HydrophobicContact CB-CD1 3.56Å; Y186-L192 HydrophobicContact CD2-CB 3.8Å; Y186-L192 HydrophobicContact CD2-CD1 3.54Å; Y186-L192 HydrophobicContact CD2-CG 4.14Å; Y186-L192 HydrophobicContact CE2-CD1 3.67Å; Y186-L192 HydrophobicContact CG-CB 4.15Å; S188-L192 PolarHBondContact O-N 3.14Å; S188-L192 VanDerWaalsContact O-N 3.16Å; T189-L192 PolarHBondContact O-N 3.5Å; L192-H195 WeakPolarHBondContact O-CB 3.13Å; L192-H195 PolarHBondContact O-N 2.85Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.43Å
193L69.9Low65.3Low53 Ų5375.7 Ų75.728%0.27742%0.419SS..Hα-helixtrans-66.3-37.6176.9-75170.2000112.2M169 A172 T189 P190 L196 K197M169-L193 HydrophobicContact CB-CD2 4.41Å; M169-L193 HydrophobicContact CE-CD2 4.45Å; A172-L193 HydrophobicContact CB-CD2 4.34Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 VanDerWaalsContact O-CG 3.3Å; T189-L193 WeakPolarHBondContact O-CG 3.39Å; T189-L193 PolarHBondContact O-N 3.12Å; P190-L193 PolarHBondContact O-N 2.83Å; L193-L196 PolarHBondContact O-N 2.89Å; L193-K197 PolarHBondContact O-N 3.1Å
194E71.6Confident64.6Low106 Ų10671 Ų7150%0.49540%0.403SS..Hα-helixtrans-67.1-41.4170-178.1151.3-112.200111.9P190 V191 L196 K197 S198P190-E194 PolarHBondContact O-N 3.39Å; V191-E194 PolarHBondContact O-N 2.93Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.95Å; E194-K197 WeakPolarHBondContact O-CA 3.45Å; E194-K197 WeakPolarHBondContact O-CB 3.21Å; E194-K197 PolarHBondContact O-N 2.8Å; E194-K197 VanDerWaalsContact O-N 3.09Å; E194-S198 PolarHBondContact O-N 3.42Å
195H72.9Confident64Low14 Ų1469.3 Ų69.37%0.06540%0.403CS..Hα-helixtrans-58.8-42.4172.7177.670.4000112.4C182 Y186 V191 L192 K197 S198 H199C182-H195 PolarHBondContact SG-NE2 3.3Å; Y186-H195 HydrophobicContact CE1-CB 4.23Å; Y186-H195 HydrophobicContact CE2-CB 4.22Å; Y186-H195 AromaticContact CE2-CD2 3.77Å; Y186-H195 AromaticContact CE2-CG 3.96Å; Y186-H195 AromaticContact CZ-CD2 3.67Å; Y186-H195 AromaticContact CZ-CG 3.5Å; Y186-H195 AromaticContact CZ-ND1 3.91Å; Y186-H195 PolarHBondContact OH-CD2 2.85Å; Y186-H195 PolarHBondContact OH-CE1 3.36Å; Y186-H195 PolarHBondContact OH-ND1 2.94Å; Y186-H195 PolarHBondContact OH-NE2 3.42Å; V191-H195 WeakPolarHBondContact O-CB 3.25Å; V191-H195 PolarHBondContact O-N 3.16Å; L192-H195 WeakPolarHBondContact O-CB 3.13Å; L192-H195 PolarHBondContact O-N 2.85Å; H195-K197 VanDerWaalsContact C-N 3.29Å; H195-K197 PolarHBondContact O-N 2.64Å; H195-S198 WeakPolarHBondContact O-CA 3.37Å; H195-S198 WeakPolarHBondContact O-CB 3.41Å; H195-S198 PolarHBondContact O-N 3.2Å; H195-S198 PolarHBondContact O-OG 3.13Å; H195-H199 AromaticContact CD2-CD2 3.86Å; H195-H199 AromaticContact CD2-NE2 3.73Å; H195-H199 AromaticContact CE1-NE2 3.55Å; H195-H199 AromaticContact NE2-CD2 3.44Å; H195-H199 PolarHBondContact NE2-CD2 3.28Å; H195-H199 AromaticContact NE2-NE2 2.86Å; H195-H199 PolarHBondContact NE2-NE2 3.1Å; H195-H199 PolarHBondContact O-N 3.08Å
196L66.4Low62.5Low2 Ų267.6 Ų67.61%0.0140%0.399CS..Hα-helixtrans-67.6-28175.8-74.5168.6000112.9A168 M169 A172 C179 V181 L192 L193 E194 S198 H199 S200A168-L196 WeakPolarHBondContact O-CD1 3.44Å; M169-L196 HydrophobicContact CB-CD1 4.38Å; M169-L196 HydrophobicContact CG-CB 4.17Å; M169-L196 HydrophobicContact CG-CD1 4.12Å; A172-L196 HydrophobicContact CB-CD1 3.43Å; A172-L196 VanDerWaalsContact CB-CD1 3.43Å; C179-L196 WeakPolarHBondContact SG-CD2 3.45Å; V181-L196 HydrophobicContact CG2-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CD1 3.9Å; L192-L196 HydrophobicContact CD1-CG 3.96Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.5Å; L192-L196 WeakPolarHBondContact O-CB 3.39Å; L192-L196 WeakPolarHBondContact O-CG 3.45Å; L192-L196 PolarHBondContact O-N 3.43Å; L193-L196 PolarHBondContact O-N 2.89Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 2.95Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 2.81Å; L196-H199 CarbonylContact O-C 3.51Å; L196-H199 WeakPolarHBondContact O-CB 3.44Å; L196-H199 PolarHBondContact O-N 3.11Å; L196-S200 PolarHBondContact O-N 3.38Å
197K69.5Low61.3Low121 Ų12170.9 Ų70.953%0.52644%0.436SS..Hα-helixtrans-62.2-32.8168.5-148.2173.2-177.4177.90111.9L193 E194 H195 S200 G201L193-K197 PolarHBondContact O-N 3.1Å; E194-K197 WeakPolarHBondContact O-CA 3.45Å; E194-K197 WeakPolarHBondContact O-CB 3.21Å; E194-K197 PolarHBondContact O-N 2.8Å; E194-K197 VanDerWaalsContact O-N 3.09Å; H195-K197 VanDerWaalsContact C-N 3.29Å; H195-K197 PolarHBondContact O-N 2.64Å; K197-S200 WeakPolarHBondContact O-CA 3.42Å; K197-S200 VanDerWaalsContact O-CB 3.22Å; K197-S200 WeakPolarHBondContact O-CB 3.39Å; K197-S200 PolarHBondContact O-N 3.47Å; K197-S200 VanDerWaalsContact O-N 3.09Å; K197-G201 PolarHBondContact O-N 3.41Å
198S64.4Low60.4Low33 Ų3370.8 Ų70.823%0.23143%0.433CS..Hα-helixtrans-63.5-41.617289.90000112E194 H195 L196 S200 G201E194-S198 PolarHBondContact O-N 3.42Å; H195-S198 WeakPolarHBondContact O-CA 3.37Å; H195-S198 WeakPolarHBondContact O-CB 3.41Å; H195-S198 PolarHBondContact O-N 3.2Å; H195-S198 PolarHBondContact O-OG 3.13Å; L196-S198 VanDerWaalsContact C-N 3.26Å; L196-S198 PolarHBondContact O-N 2.81Å; S198-S200 VanDerWaalsContact C-N 3.26Å; S198-S200 PolarHBondContact O-N 3.03Å; S198-G201 PolarHBondContact O-N 3.06Å; S198-G201 VanDerWaalsContact O-N 3.14Å
199H61.6Low59.6Low50 Ų5074.5 Ų74.523%0.23145%0.446CS..Hα-helixtrans-68.4-22.8171.3-66.9-75.4000113.1R165 H195 L196 G201R165-H199 WeakPolarHBondContact CD-O 3.45Å; R165-H199 PolarHBondContact NH1-O 2.99Å; H195-H199 AromaticContact CD2-CD2 3.86Å; H195-H199 AromaticContact CD2-NE2 3.73Å; H195-H199 AromaticContact CE1-NE2 3.55Å; H195-H199 AromaticContact NE2-CD2 3.44Å; H195-H199 PolarHBondContact NE2-CD2 3.28Å; H195-H199 AromaticContact NE2-NE2 2.86Å; H195-H199 PolarHBondContact NE2-NE2 3.1Å; H195-H199 PolarHBondContact O-N 3.08Å; L196-H199 CarbonylContact O-C 3.51Å; L196-H199 WeakPolarHBondContact O-CB 3.44Å; L196-H199 PolarHBondContact O-N 3.11Å; H199-G201 PolarHBondContact O-N 3.42Å
200S56.1Low59.4Low78 Ų7876.7 Ų76.755%0.54545%0.451SS..THydrogen-bonded Turntrans-72.2-9.2172.5-158.20000113.1L196 K197 S198L196-S200 PolarHBondContact O-N 3.38Å; K197-S200 WeakPolarHBondContact O-CA 3.42Å; K197-S200 VanDerWaalsContact O-CB 3.22Å; K197-S200 WeakPolarHBondContact O-CB 3.39Å; K197-S200 PolarHBondContact O-N 3.47Å; K197-S200 VanDerWaalsContact O-N 3.09Å; S198-S200 VanDerWaalsContact C-N 3.26Å; S198-S200 PolarHBondContact O-N 3.03Å
201G55Low59.2Low63 Ų6379.3 Ų79.365%0.64945%0.454SS*.THydrogen-bonded Turntrans90.116.7168.200000115.5K197 S198 H199K197-G201 PolarHBondContact O-N 3.41Å; S198-G201 PolarHBondContact O-N 3.06Å; S198-G201 VanDerWaalsContact O-N 3.14Å; H199-G201 PolarHBondContact O-N 3.42Å
202K48.4Very low59.3Low170 Ų17079.4 Ų79.474%0.73945%0.45SS*.SBendtrans-133.798170.8-69.7179.4-175.7169.30110.7
203S44.5Very low59.5Low95 Ų9582.3 Ų82.366%0.66447%0.469SS*.SBendtrans58.7120.5168.249.20000119.2
204S48.9Very low59.8Low72 Ų7280.2 Ų80.250%0.50346%0.459SS..  trans46.1104.8142.357.20000120.7
205S45.6Very low60.3Low68 Ų6881.1 Ų81.148%0.47647%0.467SS..  -148.2162.8102.4-1670000109.7
206G35.8Very low60.5Low53 Ų5385.8 Ų85.855%0.54649%0.489SS..SBendtrans98.8129.9-169.400000113K208G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.35Å
207A47.6Very low60.9Low115 Ų11587.4 Ų87.495%0.9550%0.5SS*.  trans-75.659.9-163.800000115.1E209A207-E209 PolarHBondContact O-N 3.44Å; A207-E209 VanDerWaalsContact O-N 3.1Å
208K51.9Low60.9Low167 Ų16789.2 Ų89.273%0.72652%0.515SS*.  trans-74.5100.8166.8-159.6165.7-164.6163.70108.9G206 K210 Y222G206-K208 VanDerWaalsContact C-N 3.27Å; G206-K208 PolarHBondContact O-N 3.35Å; K208-K210 PolarHBondContact O-N 2.82Å; K208-Y222 HydrophobicContact CB-CE1 4.47Å; K208-Y222 WeakPolarHBondContact O-CE1 3.32Å
209E54.4Low60.7Low114 Ų11494.9 Ų94.953%0.53353%0.532SS..  trans-41.5130.1175.3-169.7-157.3175.100111.4A207 K211A207-E209 PolarHBondContact O-N 3.44Å; A207-E209 VanDerWaalsContact O-N 3.1Å; E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 HydrophobicContact CB-CG 4.33Å; E209-K211 HydrophobicContact CG-CG 4.41Å; E209-K211 WeakPolarHBondContact O-CG 3.47Å; E209-K211 PolarHBondContact O-N 3.25Å; E209-K211 IonicContact OE2-NZ 2.86Å; E209-K211 PolarHBondContact OE2-NZ 3.35Å
210K64.9Low61.1Low98 Ų9899.3 Ų99.343%0.42655%0.546SS..  trans-78.378.6-179.6-68.8166.2175.5175.10109.3K208 H212 R220 F221 Y222K208-K210 PolarHBondContact O-N 2.82Å; K210-H212 PolarHBondContact O-N 2.91Å; K210-R220 HydrophobicContact CB-CB 3.48Å; K210-R220 VanDerWaalsContact CB-CB 3.48Å; K210-R220 HydrophobicContact CD-CB 4.29Å; K210-R220 WeakPolarHBondContact O-CB 3.4Å; K210-F221 CarbonylContact C-O 3.58Å; K210-Y222 WeakPolarHBondContact CE-OH 3.47Å; K210-Y222 HydrophobicContact CG-CD1 4.2Å; K210-Y222 HydrophobicContact CG-CE1 3.74Å; K210-Y222 HydrophobicContact CG-CE2 4.23Å
211K67.8Low62Low139 Ų13997.8 Ų97.860%0.60453%0.53SS*.  trans-64.90.1-168.3-65.4-168.2179.5-78.20116.7E209E209-K211 VanDerWaalsContact C-N 3.28Å; E209-K211 HydrophobicContact CB-CG 4.33Å; E209-K211 HydrophobicContact CG-CG 4.41Å; E209-K211 WeakPolarHBondContact O-CG 3.47Å; E209-K211 PolarHBondContact O-N 3.25Å; E209-K211 IonicContact OE2-NZ 2.86Å; E209-K211 PolarHBondContact OE2-NZ 3.35Å
212H75.9Confident62.4Low56 Ų56100.2 Ų100.226%0.25952%0.52SS..EExtended strand (participates in β ladder)trans-128.199-179-57.3-52.8000110.9K210 R220 F221 T223 R224 V227K210-H212 PolarHBondContact O-N 2.91Å; H212-R220 CarbonylContact O-C 3.51Å; H212-R220 WeakPolarHBondContact O-CA 3.46Å; H212-F221 PolarHBondContact N-O 2.86Å; H212-F221 PolarHBondContact O-N 3.46Å; H212-T223 VanDerWaalsContact CD2-CA 3.41Å; H212-T223 WeakPolarHBondContact CD2-CA 3.44Å; H212-R224 PolarHBondContact CD2-N 3.43Å; H212-R224 VanDerWaalsContact CD2-N 3.34Å; H212-V227 HydrophobicContact CB-CG2 3.61Å
213P76.4Confident63.5Low61 Ų6194.9 Ų94.940%0.39650%0.502SS..EExtended strand (participates in β ladder)trans-66.6172.4171.731-35.5000111.8R220 V227P213-R220 HydrophobicContact CB-CG 4.26Å; P213-V227 WeakPolarHBondContact O-CG1 3.44Å; P213-V227 WeakPolarHBondContact O-CG2 3.39Å
214C77.3Confident64.8Low9 Ų999.4 Ų99.46%0.06150%0.504CS..EExtended strand (participates in β ladder)trans-105.9139.4166176.80000108.6H216 R219 F221 V227 H230 M231 H234C214-H216 PolarHBondContact O-N 3.2Å; C214-H216 VanDerWaalsContact O-N 3.16Å; C214-R219 WeakPolarHBondContact CB-O 3.29Å; C214-R219 PolarHBondContact N-O 3.13Å; C214-R219 VanDerWaalsContact N-O 3.11Å; C214-F221 HydrophobicContact CB-CE2 4.29Å; C214-V227 HydrophobicContact CB-CG1 4.36Å; C214-H230 VanDerWaalsContact SG-CD2 3.57Å; C214-M231 PolarHBondContact SG-SD 3.24Å; C214-H234 PolarHBondContact SG-NE2 3.08Å
215D81.4Confident65.9Low126 Ų126104 Ų10467%0.67452%0.515SS*.THydrogen-bonded Turntrans-78.93.4-172.6-40-71.7000113.1
216H76.3Confident67.3Low112 Ų112102.5 Ų102.552%0.51950%0.502SS..THydrogen-bonded Turntrans-133.3-0.5-176.3-58.4-25.1000114C214 M231 H234C214-H216 PolarHBondContact O-N 3.2Å; C214-H216 VanDerWaalsContact O-N 3.16Å; H216-M231 WeakPolarHBondContact CD2-CE 3.4Å; H216-M231 WeakPolarHBondContact NE2-CE 3.44Å; H216-H234 VanDerWaalsContact C-CE1 3.5Å; H216-H234 HydrophobicContact CB-CB 4.21Å; H216-H234 AromaticContact CD2-CG 3.99Å; H216-H234 PolarHBondContact O-CE1 3.4Å
217C75.3Confident69.1Low35 Ų35100.6 Ų100.624%0.23648%0.48CS..EExtended strand (participates in β ladder)trans-168.9165.4166.666.40000111.7R219 H230 H234C217-R219 PolarHBondContact O-N 2.77Å; C217-H230 PolarHBondContact SG-NE2 3Å; C217-H234 WeakPolarHBondContact CB-CE1 3.5Å; C217-H234 PolarHBondContact SG-CE1 3.27Å; C217-H234 PolarHBondContact SG-NE2 3.22Å
218D70.3Confident70.5Confident159 Ų159104.7 Ų104.785%0.8547%0.471SS*.EExtended strand (participates in β ladder)trans-65.63.2-174.7-46.8-76.7000115.4R220D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 VanDerWaalsContact O-N 3.15Å
219R59.1Low71.5Confident153 Ų153101.8 Ų101.858%0.57746%0.455SS*.EExtended strand (participates in β ladder)trans-69.8112179.5-71.4-176.7164.9163.1-0.7110.7C214 C217 F221C214-R219 WeakPolarHBondContact CB-O 3.29Å; C214-R219 PolarHBondContact N-O 3.13Å; C214-R219 VanDerWaalsContact N-O 3.11Å; C217-R219 PolarHBondContact O-N 2.77Å; R219-F221 HydrophobicContact CB-CE2 3.62Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 VanDerWaalsContact O-CD2 3.28Å; R219-F221 WeakPolarHBondContact O-CD2 3.46Å; R219-F221 WeakPolarHBondContact O-CE2 3.5Å
220R70.3Confident72.5Confident142 Ų14297.1 Ų97.154%0.53643%0.433SS..EExtended strand (participates in β ladder)trans-97145.3174.1-58.8-175.1177.2-129.9-2.3112K210 H212 P213 D218K210-R220 HydrophobicContact CB-CB 3.48Å; K210-R220 VanDerWaalsContact CB-CB 3.48Å; K210-R220 HydrophobicContact CD-CB 4.29Å; K210-R220 WeakPolarHBondContact O-CB 3.4Å; H212-R220 CarbonylContact O-C 3.51Å; H212-R220 WeakPolarHBondContact O-CA 3.46Å; P213-R220 HydrophobicContact CB-CG 4.26Å; D218-R220 PolarHBondContact O-N 3.37Å; D218-R220 VanDerWaalsContact O-N 3.15Å
221F75.8Confident72.8Confident46 Ų4694.1 Ų94.120%0.20242%0.421CS..EExtended strand (participates in β ladder)trans-129.9161.9-172-64.9-92.3000112.5K210 H212 C214 R219 D226 V227 H230K210-F221 CarbonylContact C-O 3.58Å; H212-F221 PolarHBondContact N-O 2.86Å; H212-F221 PolarHBondContact O-N 3.46Å; C214-F221 HydrophobicContact CB-CE2 4.29Å; R219-F221 HydrophobicContact CB-CE2 3.62Å; R219-F221 HydrophobicContact CB-CZ 3.94Å; R219-F221 VanDerWaalsContact O-CD2 3.28Å; R219-F221 WeakPolarHBondContact O-CD2 3.46Å; R219-F221 WeakPolarHBondContact O-CE2 3.5Å; F221-D226 HydrophobicContact CB-CB 4.09Å; F221-D226 HydrophobicContact CD1-CB 3.85Å; F221-D226 HydrophobicContact CG-CB 4.28Å; F221-V227 HydrophobicContact CB-CG2 3.8Å; F221-V227 HydrophobicContact CD2-CG2 3.86Å; F221-V227 HydrophobicContact CG-CG2 4.08Å; F221-H230 HydrophobicContact CE1-CB 3.99Å; F221-H230 HydrophobicContact CE2-CB 3.97Å; F221-H230 AromaticContact CE2-CD2 3.28Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.31Å; F221-H230 AromaticContact CE2-CG 3.82Å; F221-H230 HydrophobicContact CZ-CB 3.5Å; F221-H230 AromaticContact CZ-CD2 3.28Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.38Å; F221-H230 AromaticContact CZ-CG 3.39Å
222Y62.7Low73.1Confident115 Ų11589.3 Ų89.345%0.45140%0.404SS..SBendtrans-85.4-20.4-178.1-62.5-77.6000114.1K208 K210K208-Y222 HydrophobicContact CB-CE1 4.47Å; K208-Y222 WeakPolarHBondContact O-CE1 3.32Å; K210-Y222 WeakPolarHBondContact CE-OH 3.47Å; K210-Y222 HydrophobicContact CG-CD1 4.2Å; K210-Y222 HydrophobicContact CG-CE1 3.74Å; K210-Y222 HydrophobicContact CG-CE2 4.23Å
223T72.4Confident72.7Confident57 Ų5791.3 Ų91.335%0.3542%0.42SS..SBendtrans-140151.2172.183.30000111.8H212 K225 D226 V227H212-T223 VanDerWaalsContact CD2-CA 3.41Å; H212-T223 WeakPolarHBondContact CD2-CA 3.44Å; T223-K225 PolarHBondContact O-N 2.97Å; T223-K225 VanDerWaalsContact O-N 3.16Å; T223-K225 PolarHBondContact OG1-N 2.66Å; T223-D226 WeakPolarHBondContact CB-OD2 3.32Å; T223-D226 WeakPolarHBondContact CG2-OD2 3.29Å; T223-D226 PolarHBondContact N-OD2 2.89Å; T223-D226 PolarHBondContact O-N 3.3Å; T223-D226 VanDerWaalsContact OG1-CG 3.22Å; T223-D226 PolarHBondContact OG1-N 2.86Å; T223-D226 PolarHBondContact OG1-OD2 3.35Å; T223-V227 PolarHBondContact O-N 3.22Å
224R69.9Low72.4Confident190 Ų19092.2 Ų92.272%0.71742%0.418SS*.Hα-helixtrans-56.4-25.7169.7-73.7-175172.6171-3113.3H212 D226 R228H212-R224 PolarHBondContact CD2-N 3.43Å; H212-R224 VanDerWaalsContact CD2-N 3.34Å; R224-D226 VanDerWaalsContact C-N 3.32Å; R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 3.39Å
225K72.8Confident72.3Confident168 Ų16895.1 Ų95.173%0.7344%0.436SS*.Hα-helixtrans-69.5-32.3174.9-66.7-170.8177.3-173.50111.7T223 R229T223-K225 PolarHBondContact O-N 2.97Å; T223-K225 VanDerWaalsContact O-N 3.16Å; T223-K225 PolarHBondContact OG1-N 2.66Å; K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 PolarHBondContact O-N 3.4Å
226D75.7Confident71.5Confident37 Ų3791.6 Ų91.620%0.19843%0.429CS..Hα-helixtrans-76.8-37177.6-53.5-53.8000111.5F221 T223 R224 R229 H230F221-D226 HydrophobicContact CB-CB 4.09Å; F221-D226 HydrophobicContact CD1-CB 3.85Å; F221-D226 HydrophobicContact CG-CB 4.28Å; T223-D226 WeakPolarHBondContact CB-OD2 3.32Å; T223-D226 WeakPolarHBondContact CG2-OD2 3.29Å; T223-D226 PolarHBondContact N-OD2 2.89Å; T223-D226 PolarHBondContact O-N 3.3Å; T223-D226 VanDerWaalsContact OG1-CG 3.22Å; T223-D226 PolarHBondContact OG1-N 2.86Å; T223-D226 PolarHBondContact OG1-OD2 3.35Å; R224-D226 VanDerWaalsContact C-N 3.32Å; D226-R229 PolarHBondContact O-N 2.92Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NH1 2.8Å; D226-R229 PolarHBondContact OD1-NH1 2.86Å; D226-R229 IonicContact OD1-NH2 3.17Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; D226-H230 WeakPolarHBondContact O-CB 3.26Å; D226-H230 PolarHBondContact O-N 3.49Å
227V73.9Confident71Confident13 Ų1394.4 Ų94.48%0.07944%0.435CS..Hα-helixtrans-57.5-53.6167.8-174.90000110.2H212 P213 C214 F221 T223 R229 H230 M231H212-V227 HydrophobicContact CB-CG2 3.61Å; P213-V227 WeakPolarHBondContact O-CG1 3.44Å; P213-V227 WeakPolarHBondContact O-CG2 3.39Å; C214-V227 HydrophobicContact CB-CG1 4.36Å; F221-V227 HydrophobicContact CB-CG2 3.8Å; F221-V227 HydrophobicContact CD2-CG2 3.86Å; F221-V227 HydrophobicContact CG-CG2 4.08Å; T223-V227 PolarHBondContact O-N 3.22Å; V227-R229 PolarHBondContact O-N 3.44Å; V227-H230 CarbonylContact O-C 3.59Å; V227-H230 WeakPolarHBondContact O-CA 3.33Å; V227-H230 WeakPolarHBondContact O-CB 3.03Å; V227-H230 PolarHBondContact O-N 2.93Å; V227-M231 HydrophobicContact CG1-SD 4.1Å; V227-M231 WeakPolarHBondContact O-CG 3.47Å; V227-M231 PolarHBondContact O-N 2.8Å
228R75.4Confident70.9Confident202 Ų20298.3 Ų98.376%0.76245%0.448SS*.Hα-helixtrans-57.2-36.5178.6-170.5179.5-68.7-175.3-3.7112.4R224 H230R224-R228 WeakPolarHBondContact O-CB 3.38Å; R224-R228 PolarHBondContact O-N 3.39Å; R228-H230 VanDerWaalsContact C-N 3.33Å
229R73.8Confident71.1Confident105 Ų10596.1 Ų96.140%0.39644%0.436SS..Hα-helixtrans-70.2-27.6173.8-157.5-165.8-55.1100.41.2112.7K225 D226 V227 R251K225-R229 WeakPolarHBondContact O-CB 3.49Å; K225-R229 PolarHBondContact O-N 3.4Å; D226-R229 PolarHBondContact O-N 2.92Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 VanDerWaalsContact OD1-CZ 3.24Å; D226-R229 IonicContact OD1-NH1 2.8Å; D226-R229 PolarHBondContact OD1-NH1 2.86Å; D226-R229 IonicContact OD1-NH2 3.17Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; V227-R229 PolarHBondContact O-N 3.44Å; R229-R251 HydrophobicContact CG-CG 4.31Å
230H75.9Confident72Confident16 Ų1692.4 Ų92.47%0.07442%0.424CS..Hα-helixtrans-79.2-33.3174.7175.835.2000113C214 C217 F221 D226 V227 R228 V232 V233 H234C214-H230 VanDerWaalsContact SG-CD2 3.57Å; C217-H230 PolarHBondContact SG-NE2 3Å; F221-H230 HydrophobicContact CE1-CB 3.99Å; F221-H230 HydrophobicContact CE2-CB 3.97Å; F221-H230 AromaticContact CE2-CD2 3.28Å; F221-H230 WeakPolarHBondContact CE2-CD2 3.31Å; F221-H230 AromaticContact CE2-CG 3.82Å; F221-H230 HydrophobicContact CZ-CB 3.5Å; F221-H230 AromaticContact CZ-CD2 3.28Å; F221-H230 WeakPolarHBondContact CZ-CD2 3.38Å; F221-H230 AromaticContact CZ-CG 3.39Å; D226-H230 WeakPolarHBondContact O-CB 3.26Å; D226-H230 PolarHBondContact O-N 3.49Å; V227-H230 CarbonylContact O-C 3.59Å; V227-H230 WeakPolarHBondContact O-CA 3.33Å; V227-H230 WeakPolarHBondContact O-CB 3.03Å; V227-H230 PolarHBondContact O-N 2.93Å; R228-H230 VanDerWaalsContact C-N 3.33Å; H230-V232 PolarHBondContact O-N 3.26Å; H230-V233 WeakPolarHBondContact ND1-CG2 3.35Å; H230-V233 VanDerWaalsContact O-CB 3.29Å; H230-V233 WeakPolarHBondContact O-CB 3.42Å; H230-V233 WeakPolarHBondContact O-CG2 3.3Å; H230-V233 PolarHBondContact O-N 2.63Å; H230-H234 AromaticContact CD2-NE2 3.42Å; H230-H234 PolarHBondContact CD2-NE2 2.86Å; H230-H234 AromaticContact CE1-NE2 3.27Å; H230-H234 PolarHBondContact CE1-NE2 2.79Å; H230-H234 VanDerWaalsContact CE1-NE2 3.27Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-NE2 2.63Å; H230-H234 PolarHBondContact NE2-NE2 3.32Å
231M69.8Low72.5Confident36 Ų3690 Ų9018%0.17742%0.422CS..Hα-helixtrans-52.2-28-179.7-61.1-50.8-81.600113.4C214 H216 V227 V233 H234 T235C214-M231 PolarHBondContact SG-SD 3.24Å; H216-M231 WeakPolarHBondContact CD2-CE 3.4Å; H216-M231 WeakPolarHBondContact NE2-CE 3.44Å; V227-M231 HydrophobicContact CG1-SD 4.1Å; V227-M231 WeakPolarHBondContact O-CG 3.47Å; V227-M231 PolarHBondContact O-N 2.8Å; M231-V233 PolarHBondContact O-N 3.45Å; M231-V233 VanDerWaalsContact O-N 3.16Å; M231-H234 WeakPolarHBondContact O-CA 3.43Å; M231-H234 PolarHBondContact O-N 2.98Å; M231-T235 PolarHBondContact O-N 2.86Å; M231-T235 PolarHBondContact O-OG1 3.17Å
232V74.6Confident72.8Confident38 Ų3888.4 Ų88.423%0.2342%0.416CS..Hα-helixtrans-53.8-28171.9179.60000113.9H230 H234 G236 G250H230-V232 PolarHBondContact O-N 3.26Å; V232-H234 VanDerWaalsContact C-N 3.32Å; V232-G236 PolarHBondContact O-N 2.93Å; V232-G250 VanDerWaalsContact CG1-CA 3.47Å; V232-G250 WeakPolarHBondContact CG1-O 3.47Å
233V67.8Low73.7Confident98 Ų9891 Ų9159%0.59443%0.432SS*.Hα-helixtrans-68.9-32.7174.3178.70000111.4H230 M231H230-V233 WeakPolarHBondContact ND1-CG2 3.35Å; H230-V233 VanDerWaalsContact O-CB 3.29Å; H230-V233 WeakPolarHBondContact O-CB 3.42Å; H230-V233 WeakPolarHBondContact O-CG2 3.3Å; H230-V233 PolarHBondContact O-N 2.63Å; M231-V233 PolarHBondContact O-N 3.45Å; M231-V233 VanDerWaalsContact O-N 3.16Å
234H70.9Confident74.1Confident79 Ų7992.3 Ų92.337%0.36643%0.432SS..Hα-helixtrans-92.4-39.7-177.6-62.1-68.3000112.4C214 H216 C217 H230 M231 V232 G236C214-H234 PolarHBondContact SG-NE2 3.08Å; H216-H234 VanDerWaalsContact C-CE1 3.5Å; H216-H234 HydrophobicContact CB-CB 4.21Å; H216-H234 AromaticContact CD2-CG 3.99Å; H216-H234 PolarHBondContact O-CE1 3.4Å; C217-H234 WeakPolarHBondContact CB-CE1 3.5Å; C217-H234 PolarHBondContact SG-CE1 3.27Å; C217-H234 PolarHBondContact SG-NE2 3.22Å; H230-H234 AromaticContact CD2-NE2 3.42Å; H230-H234 PolarHBondContact CD2-NE2 2.86Å; H230-H234 AromaticContact CE1-NE2 3.27Å; H230-H234 PolarHBondContact CE1-NE2 2.79Å; H230-H234 VanDerWaalsContact CE1-NE2 3.27Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-NE2 2.63Å; H230-H234 PolarHBondContact NE2-NE2 3.32Å; M231-H234 WeakPolarHBondContact O-CA 3.43Å; M231-H234 PolarHBondContact O-N 2.98Å; V232-H234 VanDerWaalsContact C-N 3.32Å; H234-G236 VanDerWaalsContact C-N 3.31Å
235T73.6Confident74.8Confident71 Ų7185.4 Ų85.444%0.43641%0.412SS..Hα-helixtrans-79.8-13.4179.4640000113.4M231 R237M231-T235 PolarHBondContact O-N 2.86Å; M231-T235 PolarHBondContact O-OG1 3.17Å; T235-R237 PolarHBondContact O-N 3.33Å
236G66.1Low75Confident51 Ų5182.2 Ų82.253%0.52642%0.417SS..  trans63.5-0.3-176.600000115.3V232 H234 K238V232-G236 PolarHBondContact O-N 2.93Å; H234-G236 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 2.98Å
237R65.8Low75.3Confident171 Ų17185.7 Ų85.765%0.64543%0.432SS*.  trans-68.9105.6-170.3-71.5-168.5-177.2-165.70.4111.4T235 D239T235-R237 PolarHBondContact O-N 3.33Å; R237-D239 PolarHBondContact O-N 3.49Å
238K72.5Confident75.5Confident117 Ų11792.2 Ų92.251%0.50946%0.455SS..  trans-97.266179.8-72.3169.6163.9-167.60110.4G236 F240 R248 F249G236-K238 PolarHBondContact O-N 2.98Å; K238-F240 PolarHBondContact O-N 3.35Å; K238-R248 HydrophobicContact CB-CB 3.62Å; K238-R248 HydrophobicContact CD-CB 4.05Å; K238-R248 WeakPolarHBondContact CD-O 3.45Å; K238-R248 HydrophobicContact CG-CB 4.42Å; K238-F249 CarbonylContact C-O 3.59Å; K238-F249 VanDerWaalsContact C-O 3.24Å; K238-F249 WeakPolarHBondContact CA-O 3.43Å
239D74.4Confident75.6Confident114 Ų11484.4 Ų84.461%0.6143%0.427SS*.  trans-67-14.6-171.6-52.2-35.1000114.1R237 F249R237-D239 PolarHBondContact O-N 3.49Å; D239-F249 PolarHBondContact N-O 3.32Å
240F78.4Confident75.4Confident74 Ų7480.1 Ų80.133%0.32542%0.415SS..EExtended strand (participates in β ladder)trans-103.696.1-177.5-56.2-83.5000110.6K238 F249 K252 L255K238-F240 PolarHBondContact O-N 3.35Å; F240-F249 HydrophobicContact CB-CB 4.25Å; F240-F249 WeakPolarHBondContact CB-O 3.41Å; F240-F249 PolarHBondContact N-O 3.16Å; F240-F249 PolarHBondContact O-N 3.03Å; F240-K252 HydrophobicContact CD1-CB 3.9Å; F240-K252 HydrophobicContact CD1-CG 4.41Å; F240-K252 HydrophobicContact CE1-CB 3.75Å; F240-K252 HydrophobicContact CE1-CG 4.42Å; F240-K252 HydrophobicContact CG-CB 4.47Å; F240-K252 HydrophobicContact CZ-CB 4.2Å; F240-L255 HydrophobicContact CB-CB 4.24Å; F240-L255 HydrophobicContact CB-CD2 3.94Å
241L80.5Confident75.3Confident92 Ų9283.4 Ų83.448%0.48243%0.427SS..EExtended strand (participates in β ladder)trans-75.5147.4174.2-50.7-178000111R248 L255L241-R248 HydrophobicContact CD2-CB 4.12Å; L241-R248 VanDerWaalsContact CD2-CD 3.46Å; L241-R248 HydrophobicContact CD2-CG 3.52Å; L241-L255 WeakPolarHBondContact O-CD1 3.4Å; L241-L255 VanDerWaalsContact O-CD2 3.24Å; L241-L255 WeakPolarHBondContact O-CD2 3.34Å
242C82.7Confident75.5Confident12 Ų1288.2 Ų88.28%0.08145%0.447CS..  trans-80.8138162-170.20000109.9Y244 C245 Q247 F249 L255 H258 H263C242-Y244 VanDerWaalsContact C-N 3.31Å; C242-C245 WeakPolarHBondContact CB-O 3.45Å; C242-Q247 PolarHBondContact N-O 2.85Å; C242-F249 HydrophobicContact CB-CE2 4.33Å; C242-L255 HydrophobicContact CB-CD1 3.79Å; C242-H258 PolarHBondContact SG-NE2 3.22Å; C242-H258 VanDerWaalsContact SG-NE2 3.41Å; C242-H263 VanDerWaalsContact SG-CD2 3.59Å
243Q80.9Confident75.6Confident170 Ų17090.9 Ų90.979%0.79446%0.46SS*.SBendtrans-76.2-23.4177.3-16759.240.900112.3
244Y80.2Confident75.9Confident85 Ų8590.3 Ų90.333%0.33345%0.45SS..SBendtrans-105.6-3.5-171.4-47.7-78.3000113.7C242 V259 H263 E266 I270C242-Y244 VanDerWaalsContact C-N 3.31Å; Y244-V259 HydrophobicContact CD2-CG1 4Å; Y244-V259 HydrophobicContact CD2-CG2 4.45Å; Y244-V259 HydrophobicContact CE2-CG1 3.7Å; Y244-H263 WeakPolarHBondContact CB-ND1 3.44Å; Y244-H263 HydrophobicContact CD2-CB 3.89Å; Y244-H263 AromaticContact CD2-CG 3.97Å; Y244-H263 HydrophobicContact CG-CB 4.12Å; Y244-H263 AromaticContact CG-CG 3.99Å; Y244-H263 PolarHBondContact O-CE1 3.41Å; Y244-E266 HydrophobicContact CD1-CB 3.96Å; Y244-E266 HydrophobicContact CD1-CG 4.1Å; Y244-E266 HydrophobicContact CE1-CB 3.83Å; Y244-E266 HydrophobicContact CE1-CG 4.44Å; Y244-I270 HydrophobicContact CE1-CD1 4.17Å; Y244-I270 WeakPolarHBondContact OH-CD1 3.4Å
245C84.6Confident76.3Confident45 Ų4587.8 Ų87.830%0.30444%0.44SS..SBendtrans-162.1164.4170.268.30000111.2C242 Q247 H258 H263C242-C245 WeakPolarHBondContact CB-O 3.45Å; C245-Q247 PolarHBondContact O-N 3.21Å; C245-H258 PolarHBondContact SG-NE2 3.07Å; C245-H263 PolarHBondContact SG-NE2 3.35Å
246A78.6Confident76.5Confident101 Ų10188.4 Ų88.484%0.83544%0.443SS*.SBendtrans-67.76.4-177.600000115.8R248A246-R248 PolarHBondContact O-N 3.2Å
247Q80.2Confident77.2Confident109 Ų10992.7 Ų92.751%0.50944%0.444SS..  trans-70.6128.7-177.5-71.4-65.6-15.500112.3C242 C245 F249C242-Q247 PolarHBondContact N-O 2.85Å; C245-Q247 PolarHBondContact O-N 3.21Å; Q247-F249 HydrophobicContact CB-CE2 3.6Å; Q247-F249 HydrophobicContact CB-CZ 3.81Å
248R79.6Confident77.9Confident150 Ų15086 Ų8657%0.56642%0.42SS*.EExtended strand (participates in β ladder)trans-110.7130.6-179.2-49.4-162.7173.8-146.9-0111.1K238 L241 A246K238-R248 HydrophobicContact CB-CB 3.62Å; K238-R248 HydrophobicContact CD-CB 4.05Å; K238-R248 WeakPolarHBondContact CD-O 3.45Å; K238-R248 HydrophobicContact CG-CB 4.42Å; L241-R248 HydrophobicContact CD2-CB 4.12Å; L241-R248 VanDerWaalsContact CD2-CD 3.46Å; L241-R248 HydrophobicContact CD2-CG 3.52Å; A246-R248 PolarHBondContact O-N 3.2Å
249F76.8Confident78.4Confident38 Ų3881.2 Ų81.217%0.16740%0.4CS..EExtended strand (participates in β ladder)trans-117.8141.7-176.1-60.9-87.4000111.6K238 D239 F240 C242 Q247 R251 H254 L255 H258K238-F249 CarbonylContact C-O 3.59Å; K238-F249 VanDerWaalsContact C-O 3.24Å; K238-F249 WeakPolarHBondContact CA-O 3.43Å; D239-F249 PolarHBondContact N-O 3.32Å; F240-F249 HydrophobicContact CB-CB 4.25Å; F240-F249 WeakPolarHBondContact CB-O 3.41Å; F240-F249 PolarHBondContact N-O 3.16Å; F240-F249 PolarHBondContact O-N 3.03Å; C242-F249 HydrophobicContact CB-CE2 4.33Å; Q247-F249 HydrophobicContact CB-CE2 3.6Å; Q247-F249 HydrophobicContact CB-CZ 3.81Å; F249-R251 VanDerWaalsContact C-N 3.26Å; F249-R251 PolarHBondContact O-N 3.05Å; F249-H254 HydrophobicContact CB-CB 4.5Å; F249-H254 HydrophobicContact CD1-CB 3.89Å; F249-H254 HydrophobicContact CG-CB 4.5Å; F249-L255 HydrophobicContact CB-CB 4.22Å; F249-L255 HydrophobicContact CD2-CB 4.04Å; F249-L255 HydrophobicContact CD2-CD1 3.9Å; F249-L255 HydrophobicContact CE2-CD1 4.18Å; F249-L255 HydrophobicContact CG-CB 4.21Å; F249-H258 HydrophobicContact CE1-CB 3.93Å; F249-H258 HydrophobicContact CE2-CB 4.14Å; F249-H258 AromaticContact CE2-CD2 3.23Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.8Å; F249-H258 AromaticContact CE2-NE2 3.9Å; F249-H258 HydrophobicContact CZ-CB 3.53Å; F249-H258 AromaticContact CZ-CD2 3.26Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.4Å; F249-H258 AromaticContact CZ-CG 3.32Å; F249-H258 AromaticContact CZ-NE2 3.94Å
250G70.7Confident78.9Confident15 Ų1583.5 Ų83.516%0.15541%0.405CS..SBendtrans-79.6-2.217200000114.7V232V232-G250 VanDerWaalsContact CG1-CA 3.47Å; V232-G250 WeakPolarHBondContact CG1-O 3.47Å
251R73.5Confident79Confident85 Ų8588.5 Ų88.532%0.32143%0.426SS..  trans-148.4133.9-177.6-66.4-169.4-99.5178.5-12112.1R229 F249 D253 H254 L255R229-R251 HydrophobicContact CG-CG 4.31Å; F249-R251 VanDerWaalsContact C-N 3.26Å; F249-R251 PolarHBondContact O-N 3.05Å; R251-D253 PolarHBondContact O-N 3.05Å; R251-H254 HydrophobicContact CB-CB 4.42Å; R251-H254 PolarHBondContact NE-NE2 3.12Å; R251-H254 PolarHBondContact NH2-NE2 2.83Å; R251-H254 PolarHBondContact O-N 3.33Å; R251-L255 PolarHBondContact O-N 2.86Å; R251-L255 VanDerWaalsContact O-N 3.08Å
252K73.3Confident79Confident137 Ų13787.4 Ų87.460%0.59643%0.426SS*.Hα-helixtrans-52.7-41.2170.7-165.1167.8-177.2170.50112.3F240 H254 L255 T256F240-K252 HydrophobicContact CD1-CB 3.9Å; F240-K252 HydrophobicContact CD1-CG 4.41Å; F240-K252 HydrophobicContact CE1-CB 3.75Å; F240-K252 HydrophobicContact CE1-CG 4.42Å; F240-K252 HydrophobicContact CG-CB 4.47Å; F240-K252 HydrophobicContact CZ-CB 4.2Å; K252-H254 PolarHBondContact O-N 2.85Å; K252-L255 PolarHBondContact O-N 3.24Å; K252-T256 PolarHBondContact O-N 2.75Å; K252-T256 PolarHBondContact O-OG1 3.35Å
253D76.2Confident78.9Confident95 Ų9588.3 Ų88.351%0.50843%0.429SS..Hα-helixtrans-61-25.7178.4-44.4-45.4000114.4R251 R257R251-D253 PolarHBondContact O-N 3.05Å; D253-R257 WeakPolarHBondContact O-CB 3.23Å; D253-R257 PolarHBondContact O-NH2 3.04Å; D253-R257 VanDerWaalsContact O-NH2 3.09Å
254H74.3Confident78.6Confident85 Ų8582.8 Ų82.839%0.39441%0.41SS..Hα-helixtrans-87.2-42.7175.6-71.8-37.6000110.6F249 R251 K252 R257 H258F249-H254 HydrophobicContact CB-CB 4.5Å; F249-H254 HydrophobicContact CD1-CB 3.89Å; F249-H254 HydrophobicContact CG-CB 4.5Å; R251-H254 HydrophobicContact CB-CB 4.42Å; R251-H254 PolarHBondContact NE-NE2 3.12Å; R251-H254 PolarHBondContact NH2-NE2 2.83Å; R251-H254 PolarHBondContact O-N 3.33Å; K252-H254 PolarHBondContact O-N 2.85Å; H254-R257 PolarHBondContact CE1-NH1 3.3Å; H254-R257 PolarHBondContact ND1-NH1 3.5Å; H254-R257 PolarHBondContact ND1-NH2 3.03Å; H254-R257 PolarHBondContact O-N 3.03Å; H254-H258 WeakPolarHBondContact O-CB 3.43Å; H254-H258 PolarHBondContact O-N 3.33Å
255L78.8Confident78.1Confident27 Ų2785.5 Ų85.514%0.14143%0.425CS..Hα-helixtrans-55.1-54.1172.4171.161.5000111F240 L241 C242 F249 R251 K252 R257 H258 V259F240-L255 HydrophobicContact CB-CB 4.24Å; F240-L255 HydrophobicContact CB-CD2 3.94Å; L241-L255 WeakPolarHBondContact O-CD1 3.4Å; L241-L255 VanDerWaalsContact O-CD2 3.24Å; L241-L255 WeakPolarHBondContact O-CD2 3.34Å; C242-L255 HydrophobicContact CB-CD1 3.79Å; F249-L255 HydrophobicContact CB-CB 4.22Å; F249-L255 HydrophobicContact CD2-CB 4.04Å; F249-L255 HydrophobicContact CD2-CD1 3.9Å; F249-L255 HydrophobicContact CE2-CD1 4.18Å; F249-L255 HydrophobicContact CG-CB 4.21Å; R251-L255 PolarHBondContact O-N 2.86Å; R251-L255 VanDerWaalsContact O-N 3.08Å; K252-L255 PolarHBondContact O-N 3.24Å; L255-R257 PolarHBondContact O-N 3.19Å; L255-H258 PolarHBondContact O-N 2.88Å; L255-H258 VanDerWaalsContact O-N 3.09Å; L255-V259 HydrophobicContact CD1-CG2 3.67Å; L255-V259 HydrophobicContact CG-CG2 4.28Å; L255-V259 WeakPolarHBondContact O-CG2 3.49Å; L255-V259 PolarHBondContact O-N 2.89Å
256T78.2Confident77.1Confident83 Ų8386.2 Ų86.251%0.50942%0.424SS..Hα-helixtrans-59.5-34.1-180-57.20000112.4K252 K260K252-T256 PolarHBondContact O-N 2.75Å; K252-T256 PolarHBondContact O-OG1 3.35Å; T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.77Å
257R80.9Confident76.3Confident141 Ų14184.8 Ų84.853%0.53240%0.402SS..Hα-helixtrans-73.5-39.1175.7-165.3-175.2-46.5131.927.8112.4D253 H254 L255 K261D253-R257 WeakPolarHBondContact O-CB 3.23Å; D253-R257 PolarHBondContact O-NH2 3.04Å; D253-R257 VanDerWaalsContact O-NH2 3.09Å; H254-R257 PolarHBondContact CE1-NH1 3.3Å; H254-R257 PolarHBondContact ND1-NH1 3.5Å; H254-R257 PolarHBondContact ND1-NH2 3.03Å; H254-R257 PolarHBondContact O-N 3.03Å; L255-R257 PolarHBondContact O-N 3.19Å; R257-K261 WeakPolarHBondContact O-CB 3.24Å; R257-K261 PolarHBondContact O-N 3.35Å
258H80.8Confident75.3Confident31 Ų3184.9 Ų84.914%0.14441%0.406CS..Hα-helixtrans-64.8-51174.2159.562.1000110.8C242 C245 F249 H254 L255 K260 K261 S262 H263C242-H258 PolarHBondContact SG-NE2 3.22Å; C242-H258 VanDerWaalsContact SG-NE2 3.41Å; C245-H258 PolarHBondContact SG-NE2 3.07Å; F249-H258 HydrophobicContact CE1-CB 3.93Å; F249-H258 HydrophobicContact CE2-CB 4.14Å; F249-H258 AromaticContact CE2-CD2 3.23Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.8Å; F249-H258 AromaticContact CE2-NE2 3.9Å; F249-H258 HydrophobicContact CZ-CB 3.53Å; F249-H258 AromaticContact CZ-CD2 3.26Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.4Å; F249-H258 AromaticContact CZ-CG 3.32Å; F249-H258 AromaticContact CZ-NE2 3.94Å; H254-H258 WeakPolarHBondContact O-CB 3.43Å; H254-H258 PolarHBondContact O-N 3.33Å; L255-H258 PolarHBondContact O-N 2.88Å; L255-H258 VanDerWaalsContact O-N 3.09Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 PolarHBondContact O-N 3.46Å; H258-K261 PolarHBondContact O-N 3.47Å; H258-S262 WeakPolarHBondContact ND1-CB 3.42Å; H258-S262 PolarHBondContact ND1-OG 2.87Å; H258-S262 VanDerWaalsContact ND1-OG 3.13Å; H258-S262 VanDerWaalsContact O-CB 3.32Å; H258-S262 WeakPolarHBondContact O-CB 3.26Å; H258-S262 PolarHBondContact O-N 3.43Å; H258-S262 PolarHBondContact O-OG 3.33Å; H258-H263 AromaticContact CE1-CD2 3.89Å; H258-H263 AromaticContact CE1-NE2 3.55Å; H258-H263 AromaticContact NE2-CD2 3.7Å; H258-H263 AromaticContact NE2-NE2 3.45Å; H258-H263 PolarHBondContact NE2-NE2 3.05Å
259V83.8Confident74.2Confident16 Ų1683.2 Ų83.210%0.09740%0.402CS..Hα-helixtrans-56.6-45.7175.7-178.90000110.4Y244 L255 K261 H263 S264 L267Y244-V259 HydrophobicContact CD2-CG1 4Å; Y244-V259 HydrophobicContact CD2-CG2 4.45Å; Y244-V259 HydrophobicContact CE2-CG1 3.7Å; L255-V259 HydrophobicContact CD1-CG2 3.67Å; L255-V259 HydrophobicContact CG-CG2 4.28Å; L255-V259 WeakPolarHBondContact O-CG2 3.49Å; L255-V259 PolarHBondContact O-N 2.89Å; V259-K261 VanDerWaalsContact C-N 3.29Å; V259-K261 PolarHBondContact O-N 3.02Å; V259-H263 HydrophobicContact CG1-CB 4.11Å; V259-H263 CarbonylContact O-C 3.13Å; V259-H263 VanDerWaalsContact O-CA 3.28Å; V259-H263 WeakPolarHBondContact O-CA 3.43Å; V259-H263 WeakPolarHBondContact O-CB 3.1Å; V259-H263 PolarHBondContact O-N 2.95Å; V259-S264 PolarHBondContact O-N 3.49Å; V259-L267 HydrophobicContact CG1-CD1 3.81Å; V259-L267 HydrophobicContact CG1-CD2 3.9Å; V259-L267 HydrophobicContact CG1-CG 3.79Å
260K83Confident73.3Confident162 Ų16286.5 Ų86.570%0.70442%0.42SS*.Hα-helixtrans-65.1-24.2176.9-174.1167.2-179.2174.70114.7T256 H258 L267T256-K260 VanDerWaalsContact O-CB 3.28Å; T256-K260 WeakPolarHBondContact O-CB 3.44Å; T256-K260 PolarHBondContact O-N 2.77Å; H258-K260 VanDerWaalsContact C-N 3.31Å; H258-K260 PolarHBondContact O-N 3.46Å; K260-L267 HydrophobicContact CB-CD1 4.43Å
261K82.3Confident72.3Confident180 Ų18094.2 Ų94.278%0.78345%0.45SS*.Hα-helixtrans-95.5-37.5179.1-170.9-179.2178.3-172.50113.5R257 H258 V259R257-K261 WeakPolarHBondContact O-CB 3.24Å; R257-K261 PolarHBondContact O-N 3.35Å; H258-K261 PolarHBondContact O-N 3.47Å; V259-K261 VanDerWaalsContact C-N 3.29Å; V259-K261 PolarHBondContact O-N 3.02Å
262S78.9Confident71.3Confident69 Ų6995.1 Ų95.148%0.48347%0.465SS..Hα-helixtrans-105.4-21.3-169.7-580000113.5H258H258-S262 WeakPolarHBondContact ND1-CB 3.42Å; H258-S262 PolarHBondContact ND1-OG 2.87Å; H258-S262 VanDerWaalsContact ND1-OG 3.13Å; H258-S262 VanDerWaalsContact O-CB 3.32Å; H258-S262 WeakPolarHBondContact O-CB 3.26Å; H258-S262 PolarHBondContact O-N 3.43Å; H258-S262 PolarHBondContact O-OG 3.33Å
263H82.2Confident69.9Low30 Ų3095 Ų9514%0.13947%0.467CS..SBendtrans-130.636.2-178.2-55.2-67.7000110.3C242 Y244 C245 H258 V259 Q265 E266 L267C242-H263 VanDerWaalsContact SG-CD2 3.59Å; Y244-H263 WeakPolarHBondContact CB-ND1 3.44Å; Y244-H263 HydrophobicContact CD2-CB 3.89Å; Y244-H263 AromaticContact CD2-CG 3.97Å; Y244-H263 HydrophobicContact CG-CB 4.12Å; Y244-H263 AromaticContact CG-CG 3.99Å; Y244-H263 PolarHBondContact O-CE1 3.41Å; C245-H263 PolarHBondContact SG-NE2 3.35Å; H258-H263 AromaticContact CE1-CD2 3.89Å; H258-H263 AromaticContact CE1-NE2 3.55Å; H258-H263 AromaticContact NE2-CD2 3.7Å; H258-H263 AromaticContact NE2-NE2 3.45Å; H258-H263 PolarHBondContact NE2-NE2 3.05Å; V259-H263 HydrophobicContact CG1-CB 4.11Å; V259-H263 CarbonylContact O-C 3.13Å; V259-H263 VanDerWaalsContact O-CA 3.28Å; V259-H263 WeakPolarHBondContact O-CA 3.43Å; V259-H263 WeakPolarHBondContact O-CB 3.1Å; V259-H263 PolarHBondContact O-N 2.95Å; H263-Q265 VanDerWaalsContact C-N 3.32Å; H263-Q265 PolarHBondContact O-N 2.77Å; H263-E266 PolarHBondContact O-N 2.89Å; H263-L267 PolarHBondContact O-N 3.13Å; H263-L267 VanDerWaalsContact O-N 3.1Å
264S74Confident68.4Low55 Ų5595.2 Ų95.239%0.38547%0.473SS..Hα-helixtrans-61.1-38.7178.648.30000112.3V259 L267 L268V259-S264 PolarHBondContact O-N 3.49Å; S264-L267 PolarHBondContact O-N 3.31Å; S264-L268 WeakPolarHBondContact O-CG 3.47Å; S264-L268 PolarHBondContact O-N 3.11Å; S264-L268 VanDerWaalsContact O-N 3.14Å
265Q69.8Low67.4Low142 Ų14297.5 Ų97.566%0.66450%0.496SS*.Hα-helixtrans-65.4-41.7176.8-70.8173.3-30.100112H263 L268 K269H263-Q265 VanDerWaalsContact C-N 3.32Å; H263-Q265 PolarHBondContact O-N 2.77Å; Q265-L268 WeakPolarHBondContact O-CB 3.49Å; Q265-L268 PolarHBondContact O-N 2.96Å; Q265-K269 PolarHBondContact O-N 3.45Å; Q265-K269 VanDerWaalsContact O-N 3.08Å
266E62.5Low65.4Low59 Ų59103.5 Ų103.528%0.27653%0.528SS..Hα-helixtrans-67.4-37.3176.8-53.6-45.5112.200112.1Y244 H263 L268 K269 I270Y244-E266 HydrophobicContact CD1-CB 3.96Å; Y244-E266 HydrophobicContact CD1-CG 4.1Å; Y244-E266 HydrophobicContact CE1-CB 3.83Å; Y244-E266 HydrophobicContact CE1-CG 4.44Å; H263-E266 PolarHBondContact O-N 2.89Å; E266-L268 PolarHBondContact O-N 3.27Å; E266-K269 PolarHBondContact O-N 2.67Å; E266-K269 WeakPolarHBondContact OE1-CE 3.39Å; E266-K269 IonicContact OE1-NZ 2.73Å; E266-K269 PolarHBondContact OE1-NZ 2.85Å; E266-K269 WeakPolarHBondContact OE2-CD 3.33Å; E266-K269 IonicContact OE2-NZ 2.87Å; E266-K269 PolarHBondContact OE2-NZ 3.5Å; E266-I270 WeakPolarHBondContact O-CG1 3.37Å; E266-I270 PolarHBondContact O-N 3.37Å; E266-I270 VanDerWaalsContact O-N 3.15Å
267L62.9Low63.6Low72 Ų72106.5 Ų106.538%0.37754%0.538SS..Hα-helixtrans-65.5-20.5170.6-72.6-175.8000114.1V259 K260 H263 S264V259-L267 HydrophobicContact CG1-CD1 3.81Å; V259-L267 HydrophobicContact CG1-CD2 3.9Å; V259-L267 HydrophobicContact CG1-CG 3.79Å; K260-L267 HydrophobicContact CB-CD1 4.43Å; H263-L267 PolarHBondContact O-N 3.13Å; H263-L267 VanDerWaalsContact O-N 3.1Å; S264-L267 PolarHBondContact O-N 3.31Å
268L59.4Low62Low111 Ų111107.4 Ų107.458%0.58155%0.552SS**Hα-helixtrans-82.6-43.7175-72.5167.5000111.1S264 Q265 E266 I270 K271 T272S264-L268 WeakPolarHBondContact O-CG 3.47Å; S264-L268 PolarHBondContact O-N 3.11Å; S264-L268 VanDerWaalsContact O-N 3.14Å; Q265-L268 WeakPolarHBondContact O-CB 3.49Å; Q265-L268 PolarHBondContact O-N 2.96Å; E266-L268 PolarHBondContact O-N 3.27Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.14Å; L268-K271 CarbonylContact O-C 3.43Å; L268-K271 WeakPolarHBondContact O-CA 3.27Å; L268-K271 WeakPolarHBondContact O-CB 3.33Å; L268-K271 PolarHBondContact O-N 2.9Å; L268-T272 PolarHBondContact O-N 2.91Å; L268-T272 VanDerWaalsContact O-N 3.11Å
269K56.6Low59.9Low114 Ų114109.3 Ų109.350%0.49658%0.58SS.*Hα-helixtrans-55.2-47173.4-66169.8-177.8166.80112Q265 E266 K271 T272 E273Q265-K269 PolarHBondContact O-N 3.45Å; Q265-K269 VanDerWaalsContact O-N 3.08Å; E266-K269 PolarHBondContact O-N 2.67Å; E266-K269 WeakPolarHBondContact OE1-CE 3.39Å; E266-K269 IonicContact OE1-NZ 2.73Å; E266-K269 PolarHBondContact OE1-NZ 2.85Å; E266-K269 WeakPolarHBondContact OE2-CD 3.33Å; E266-K269 IonicContact OE2-NZ 2.87Å; E266-K269 PolarHBondContact OE2-NZ 3.5Å; K269-K271 PolarHBondContact O-N 3.38Å; K269-K271 VanDerWaalsContact O-N 3.09Å; K269-T272 PolarHBondContact O-N 2.92Å; K269-T272 VanDerWaalsContact O-N 3.1Å; K269-T272 PolarHBondContact O-OG1 3.12Å; K269-E273 PolarHBondContact O-N 3.47Å
270I58.3Low57.7Low107 Ų107116.6 Ų116.655%0.54962%0.618SS.*Hα-helixtrans-67.7-9.7178.1-65.2164.6000112.4Y244 E266 L268Y244-I270 HydrophobicContact CE1-CD1 4.17Å; Y244-I270 WeakPolarHBondContact OH-CD1 3.4Å; E266-I270 WeakPolarHBondContact O-CG1 3.37Å; E266-I270 PolarHBondContact O-N 3.37Å; E266-I270 VanDerWaalsContact O-N 3.15Å; L268-I270 VanDerWaalsContact C-N 3.34Å; L268-I270 PolarHBondContact O-N 3.14Å
271K49.5Very low55.5Low177 Ų177117.3 Ų117.377%0.7763%0.628SS**Hα-helixtrans-104.2-9.2175.4-151.4-154.2170.4-159.10113.5L268 K269L268-K271 CarbonylContact O-C 3.43Å; L268-K271 WeakPolarHBondContact O-CA 3.27Å; L268-K271 WeakPolarHBondContact O-CB 3.33Å; L268-K271 PolarHBondContact O-N 2.9Å; K269-K271 PolarHBondContact O-N 3.38Å; K269-K271 VanDerWaalsContact O-N 3.09Å
272T52.4Low53Low105 Ų105114.9 Ų114.964%0.64463%0.629SS**Hα-helixtrans-90.1-31.7170440000112.1L268 K269L268-T272 PolarHBondContact O-N 2.91Å; L268-T272 VanDerWaalsContact O-N 3.11Å; K269-T272 PolarHBondContact O-N 2.92Å; K269-T272 VanDerWaalsContact O-N 3.1Å; K269-T272 PolarHBondContact O-OG1 3.12Å
273E44Very low51Low134 Ų134118.5 Ų118.563%0.62665%0.648SS**SBendtrans-76.2132.6171.9-55.2-45121.800111.2K269K269-E273 PolarHBondContact O-N 3.47Å
274P43.5Very low48.5Very low99 Ų99120.6 Ų120.664%0.64368%0.678SS**  trans-68.7148.516930.5-33.8000110.3D276P274-D276 PolarHBondContact O-N 3.09Å
275P53.7Low46.5Very low134 Ų134123.7 Ų123.787%0.8770%0.7SS**  trans-77.386.8178.830.5-32.1000110.7
276D37.8Very low45.1Very low152 Ų152122.1 Ų122.181%0.81370%0.702SS**  trans-76163.4168.9-144-28000111.7P274P274-D276 PolarHBondContact O-N 3.09Å
277M40.3Very low44.1Very low147 Ų147125.2 Ų125.272%0.72473%0.727SS**SBendtrans-84.9135.7-152.1-79.5-80.9-79.600116.1
278L47.2Very low42.6Very low159 Ų159127 Ų12783%0.83274%0.744SS**  trans52.7100.5152.3-62174.8000118.4
279G36.3Very low41.3Very low71 Ų71127.3 Ų127.373%0.73276%0.756SS**  trans-156.1127.1166.200000115.3
280L37.3Very low40.1Very low169 Ų169128.8 Ų128.889%0.88577%0.774SS**  trans59.972.3154-52.6-177.9000119.2
281L35.8Very low39.2Very low177 Ų177132 Ų13293%0.92778%0.784SS**  trans-89.693.6135.9-77177000109.5
282T31Very low38.3Very low130 Ų130131.1 Ų131.180%0.79878%0.783SS**  trans-159.8138157.2-77.60000109.4
283T37.4Very low37.7Very low144 Ų144134.5 Ų134.588%0.88379%0.791SS**  trans-86.4123.6179.248.30000111.4
284G29.9Very low37.2Very low75 Ų75135.9 Ų135.977%0.77380%0.802SS**  trans-146.9112.3168.200000110.4
285S30.8Very low36.7Very low119 Ų119136.4 Ų136.483%0.83281%0.808SS**PPolyproline II helixtrans-80.5138177.8-57.40000110.9
286P40.1Very low36.8Very low109 Ų109135.2 Ų135.271%0.70880%0.801SS**PPolyproline II helixtrans-81.2139.4171.732.7-33.2000111.4
287P42.9Very low36.5Very low124 Ų124135.6 Ų135.681%0.80580%0.799SS**PPolyproline II helixtrans-85148.4151.134.1-29.3000110
288C30.1Very low36.3Very low110 Ų110135.5 Ų135.574%0.74380%0.799SS**  trans-115.5160.4173.3-63.50000110.8
289S32.7Very low35.6Very low118 Ų118133.2 Ų133.283%0.82580%0.795SS**  trans73.3149.4-178.8-460000113.6
290V31.8Very low35.4Very low145 Ų145133.3 Ų133.388%0.87980%0.796SS**  cis-127.317212.1-72.90000112.9
291K37.7Very low35.1Very low174 Ų174134 Ų13476%0.75780%0.797SS**  trans-102.3134171.3169.1-149.7170.7-108.30109.2
292E32Very low34.9Very low159 Ų159129 Ų12974%0.74379%0.788SS**  trans-164.3174.3138.4-141.371.8117.800110.5
293E39.2Very low35.9Very low175 Ų175128.7 Ų128.782%0.81879%0.788SS**  trans-97.2-179-175.2-89.1-138.592.100114.4
294L33.1Very low35.7Very low163 Ų163128.3 Ų128.385%0.85378%0.781SS**  trans99.1107.2160-58.4164.1000118.6
295S34.7Very low35.9Very low110 Ų110133.6 Ų133.677%0.76978%0.783SS**  trans-72179.6152.1-59.10000110.5
296P55.3Low35.9Very low110 Ų110135.1 Ų135.171%0.71478%0.781SS**  cis-146.8-157.219.337.8-12.1000116.4
297M31.8Very low36.5Very low160 Ų160135 Ų13579%0.78878%0.781SS**  trans78.9146.6164-67.3-178.8163.400118.1
298M36.3Very low35.9Very low145 Ų145138.4 Ų138.471%0.71479%0.788SS**  cis-157.4155.7-7.6-120.7-16.1-163.500114.2
299C30.6Very low36.1Very low111 Ų111141 Ų14175%0.7579%0.792SS**  trans49.1138.6146.9-650000124.8
300G32.8Very low36.1Very low72 Ų72138.7 Ų138.774%0.74279%0.786SS**  trans172.4101.5159.300000114.7
301M32.2Very low36.3Very low184 Ų184140.9 Ų140.991%0.90678%0.783SS**  trans-40.8150.3179.8-62.969.277.200115.4
302G31.6Very low35.8Very low73 Ų73138.1 Ų138.175%0.75379%0.786SS**  cis106.916328.400000110.9
303P51.9Low35.7Very low122 Ų122140.2 Ų140.279%0.79279%0.793SS**  cis-144178.8-844.8-26.6000117.1
304N33.3Very low36.3Very low137 Ų137137.5 Ų137.573%0.73379%0.791SS**  trans71.5111.6141.8-126.4-63.6000123.1
305K33.3Very low36.2Very low186 Ų186135.7 Ų135.781%0.80979%0.791SS**  162.2123.2109.3-87.2178-176.9177.80114.8
306D30.3Very low36Very low150 Ų150134 Ų13480%0.80279%0.792SS**  trans-93.5-164.5165.9-38.6-93.8000110.7
307P53.5Low35.1Very low108 Ų108133.3 Ų133.370%0.70180%0.795SS**  cis-134.7-179.4-17.440.9-25000114.3
308M30.8Very low35.8Very low194 Ų194130.6 Ų130.696%0.95679%0.789SS**  trans-161.2162144.636.9-174.6160.500114
309M33.9Very low35.4Very low166 Ų166133.1 Ų133.182%0.81880%0.797SS**  trans-111.5154.3-162.5-87.680.4167.700116.4
310G32.9Very low35.5Very low68 Ų68132.7 Ų132.770%0.70180%0.795SS**  trans159.8116.2160.100000110
311K34.9Very low35.5Very low191 Ų191137.8 Ų137.883%0.8380%0.802SS**  cis66.2121.336.1-51.8-172.6179.6-177.90111.7
312S26.9Very low35.5Very low117 Ų117134.1 Ų134.182%0.81879%0.794SS**  cis-14916719.7-67.80000115.6
313F31.6Very low35.5Very low203 Ų203139.1 Ų139.189%0.8980%0.8SS**  trans-69.8-174.5161.7-80.6-89.1000112.4
314P51.7Low34.6Very low118 Ų118143.7 Ų143.777%0.76680%0.803SS**  cis-138176.95.643.4-26.5000117.3
315S30.4Very low34.7Very low124 Ų124143.6 Ų143.687%0.86780%0.802SS**  168.9151.1124-170.10000112.4
316G31Very low35.3Very low75 Ų75140.6 Ų140.677%0.77380%0.802SS**  trans10297.6158.200000118.2
317A35.8Very low35.7Very low96 Ų96141.7 Ų141.779%0.79380%0.802SS**  trans-154.7171.9164.300000108.1
318P45.9Very low34.8Very low102 Ų102143 Ų14366%0.66280%0.798SS**  cis-134.5-160.52.626.8-0.9000113.9
319F28.5Very low34.9Very low198 Ų198142 Ų14287%0.86880%0.796SS**  trans101.4165.8161.6-60.6-61.5000119
320S33.1Very low34.9Very low102 Ų102140.4 Ų140.471%0.71379%0.787SS**  trans-135.8150.1-140.554.60000113.5
321M33Very low34.6Very low180 Ų180142 Ų14289%0.88779%0.793SS**  trans-158.1156.9134.2-108.7-59.1167.100109.9
322S30.3Very low34.4Very low106 Ų106140.8 Ų140.874%0.74179%0.792SS**  trans-149.3157.9179.1-94.60000110.6
323M33.2Very low34.7Very low179 Ų179140.1 Ų140.188%0.88279%0.788SS**  trans66116.5-179.2-56-65.3-169.200115.8
324Y32.7Very low34.7Very low218 Ų218137.7 Ų137.786%0.85578%0.784SS**  trans-143.4133.5131-128.8-84.6000109.8
325N35.3Very low33.8Very low134 Ų134138.1 Ų138.172%0.71779%0.79SS**  trans-117.9143.4178.7-161.419.8000107.2H327N325-H327 PolarHBondContact O-N 3.41Å
326P45.6Very low33.7Very low123 Ų123135.7 Ų135.780%0.79979%0.785SS**PPolyproline II helixtrans-64.3136.2-171.1-23.435.1000113
327H38.8Very low33.9Very low173 Ų173139.3 Ų139.380%0.80179%0.791SS**PPolyproline II helixtrans-90.6143.9-179.6-116.5-93000113.6N325N325-H327 PolarHBondContact O-N 3.41Å
328H34.5Very low33.8Very low135 Ų135137.9 Ų137.963%0.62579%0.786SS**PPolyproline II helixtrans-61.9152176.7-176.9-116.8000113.4Q330H328-Q330 PolarHBondContact CE1-OE1 3.3Å; H328-Q330 VanDerWaalsContact CE1-OE1 3.22Å; H328-Q330 PolarHBondContact ND1-OE1 3.43Å
329L32.7Very low34.1Very low173 Ų173139 Ų13991%0.90679%0.793SS**  trans-124145.8157.1-118.8178.1000109.4
330Q33.6Very low35Very low134 Ų134135.6 Ų135.663%0.62679%0.791SS**  trans-125.4145.8-148.5-171.3144.4-29.400113.4H328H328-Q330 PolarHBondContact CE1-OE1 3.3Å; H328-Q330 VanDerWaalsContact CE1-OE1 3.22Å; H328-Q330 PolarHBondContact ND1-OE1 3.43Å
331A27Very low35.1Very low100 Ų100139.3 Ų139.383%0.82680%0.797SS**  trans-145.8101.9169.400000112.1
332M30.2Very low35.9Very low167 Ų167135.5 Ų135.582%0.82379%0.785SS**  trans-146.8151.9160.9-66.6-163-77.200105.8
333S34.5Very low35.9Very low103 Ų103135 Ų13572%0.7278%0.782SS**  cis-158.2162.430.642.90000114.2
334N31Very low35.8Very low151 Ų151134.3 Ų134.381%0.80778%0.781SS**  trans16.9140.9150.5-50.5-8.6000120.1
335S32.7Very low36.1Very low127 Ų127132 Ų13289%0.88878%0.78SS**  -174.4158.660-56.30000112.3
336G29Very low37Very low74 Ų74130.2 Ų130.276%0.76378%0.776SS**  trans154.980.8163.100000120.2
337V35.3Very low36.3Very low150 Ų150131.2 Ų131.291%0.90977%0.774SS**  trans18.6118.8148.1-169.50000121.8
338G32.6Very low36Very low67 Ų67127.3 Ų127.369%0.69177%0.767SS**  80133.1119.400000122.3
339P52.1Low36Very low125 Ų125128.4 Ų128.481%0.81278%0.776SS**  trans-98170.817239.7-35.4000113.9
340P47.3Very low36.1Very low127 Ų127125.6 Ų125.683%0.82577%0.771SS**  -141.5164.4129.439.9-27.9000116
341H36.3Very low36.3Very low180 Ų180123.5 Ų123.583%0.83378%0.777SS**  trans-91.7-175.3161.8-130-122.5000108.4
342P49.3Very low36.6Very low99 Ų99123.4 Ų123.464%0.64378%0.776SS**  cis-137.1-180-0.541.1-22000116.1
343S30.3Very low36.9Very low95 Ų95125.1 Ų125.166%0.66479%0.785SS**  trans32.5132.3143.964.20000122.8
344L32.2Very low36.6Very low166 Ų166123.3 Ų123.387%0.86978%0.782SS**  -172157.1116.4-101163.9000113
345M38.4Very low36.8Very low169 Ų169125.6 Ų125.683%0.83379%0.79SS**  trans-113178.2162.3-73-83.7150.400106.7
346P53Low36.6Very low97 Ų97122.9 Ų122.963%0.6378%0.782SS**  cis-138.9-156.27.338.9-16.4000113.9
347N31.8Very low36.7Very low143 Ų143125.4 Ų125.477%0.76579%0.786SS**  trans79.7157.4151.4-75-11.7000121.1
348S32.2Very low36.3Very low92 Ų92125.3 Ų125.364%0.64378%0.776SS**  cis176.7169.4-36.3-96.20000109.9
349L34.9Very low36.2Very low157 Ų157128.3 Ų128.382%0.82277%0.773SS**  trans75.8125.9169-53-177000115.4
350S35.4Very low35.1Very low114 Ų114130.1 Ų130.180%0.79777%0.771SS**  81.6152.162.9-54.70000112.6
351A36.3Very low34.4Very low91 Ų91129 Ų12975%0.75277%0.766SS**  cis-142.6150.58.800000108.7
352A33Very low34.3Very low98 Ų98126.7 Ų126.781%0.8177%0.765SS**  71.411662.500000116.5
353M36.6Very low33.4Very low203 Ų203125.9 Ų125.9100%177%0.767SS**  trans-155.7150.6147.7-71.1-158.8-174.800107.6
354G30.1Very low33.4Very low64 Ų64126.9 Ų126.966%0.6677%0.774SS**  cis166.2152.5-6.500000111.6
355M35.2Very low33.3Very low200 Ų200127.1 Ų127.199%0.98577%0.774SS**  trans69.6135.5-178.2-42.5-161.2-171.700115.4
356G27.6Very low33Very low69 Ų69127.5 Ų127.571%0.71177%0.773SS**  cis108.2137.23.200000111.9
357C30.8Very low32.5Very low127 Ų127128.2 Ų128.286%0.85878%0.778SS**  cis-128.3-154.45.8-63.90000109.5
358H27.5Very low32.5Very low148 Ų148129.9 Ų129.969%0.68578%0.781SS**  cis-155.3-178.38.4-161-96.3000111.1
359M30.5Very low32.5Very low130 Ų130130.6 Ų130.664%0.6479%0.786SS**  trans-111.1177.9179.557.8-95.5-175.300110.9
360E29.3Very low32.5Very low163 Ų163131.2 Ų131.276%0.76278%0.784SS**  cis-129.5149.928.7-95.3140.173.700113.3
361S32.8Very low32.4Very low104 Ų104134.1 Ų134.173%0.72779%0.785SS**  cis81.9132.346.6-134.50000112.7
362T34Very low32.3Very low132 Ų132138.7 Ų138.781%0.8179%0.79SS**  cis-123-161.611500000110.1
363A29.4Very low32.3Very low82 Ų82142 Ų14268%0.67879%0.788SS**  cis-159173.99.100000114.1
364S30.6Very low32.2Very low116 Ų116141.4 Ų141.481%0.81178%0.783SS**  trans8.1138.3145.1-55.10000121.3
365I30.6Very low32.4Very low171 Ų171146.5 Ų146.588%0.87779%0.789SS**  cis-132.2152.912.9-61.8177.7000111.1
366H32.4Very low32.5Very low177 Ų177144.6 Ų144.682%0.81978%0.778SS**PPolyproline II helixtrans-83155.5-176.2-12864.3000114.6
367P41.2Very low32.8Very low111 Ų111149.8 Ų149.872%0.72178%0.783SS**PPolyproline II helixtrans-86.7155176.935.2-35.6000113.5
368H31.4Very low33Very low178 Ų178150.1 Ų150.182%0.82477%0.772SS**PPolyproline II helixtrans-102.8129.3170-111-82.3000111.9
369S32.8Very low33.5Very low108 Ų108151.4 Ų151.476%0.75578%0.778SS**PPolyproline II helixtrans-79.5143.3162.152.60000110
370H34Very low33.7Very low169 Ų169151.6 Ų151.678%0.78278%0.777SS**  trans-143130.3168.9-115-89.1000111.8
371H34.5Very low34.2Very low175 Ų175151.8 Ų151.881%0.8178%0.777SS**PPolyproline II helixtrans-60.9133.7167.2-93.2-73.2000110.3
372H33.9Very low34.4Very low187 Ų187154.8 Ų154.887%0.86678%0.779SS**PPolyproline II helixtrans-102.8127155-110.3-74.4000110.7
373H32.2Very low34.6Very low167 Ų167157 Ų15777%0.77378%0.78SS**PPolyproline II helixtrans-66.9138.6176.8-86.231000111.8
374H35.9Very low35Very low192 Ų192158.1 Ų158.189%0.88978%0.783SS**  trans-83.8110.1158.7-119.8-58.1000108.9H376H374-H376 PolarHBondContact O-N 3.17Å; H374-H376 VanDerWaalsContact O-N 3.17Å
375H34.6Very low35.6Very low171 Ų171158.2 Ų158.279%0.79278%0.781SS**  trans-66.8113.3-179.8-120.6-79.1000111.2
376H36.6Very low36.2Very low160 Ų160156 Ų15674%0.74178%0.777SS**  trans-91103.6177.7-135.7-77.9000109.5H374 H378H374-H376 PolarHBondContact O-N 3.17Å; H374-H376 VanDerWaalsContact O-N 3.17Å; H376-H378 PolarHBondContact O-N 3.1Å
377H34.2Very low36.3Very low178 Ų178154.1 Ų154.182%0.82478%0.779SS**  trans-76.688.7179.8-125.2-64.1000111
378H35.2Very low36.2Very low134 Ų134154.5 Ų154.562%0.6278%0.782SS**  trans-81.6114.7174.8-122.5-111.4000110.2H376 H380H376-H378 PolarHBondContact O-N 3.1Å; H378-H380 AromaticContact CE1-NE2 3.95Å; H378-H380 AromaticContact ND1-CD2 3.41Å; H378-H380 PolarHBondContact ND1-CD2 3.44Å; H378-H380 AromaticContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact ND1-NE2 3.35Å; H378-H380 VanDerWaalsContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact O-N 3.04Å
379H37.4Very low36.8Very low175 Ų175151.7 Ų151.781%0.8178%0.779SS**  trans-88.691.7172.4-127.3-65.2000109.4
380H34.1Very low36.8Very low134 Ų134154.7 Ų154.762%0.6278%0.781SS**  trans-78.2122.6172.9-94.7-99.8000110.9H378H378-H380 AromaticContact CE1-NE2 3.95Å; H378-H380 AromaticContact ND1-CD2 3.41Å; H378-H380 PolarHBondContact ND1-CD2 3.44Å; H378-H380 AromaticContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact ND1-NE2 3.35Å; H378-H380 VanDerWaalsContact ND1-NE2 3.2Å; H378-H380 PolarHBondContact O-N 3.04Å
381H39.9Very low36.8Very low167 Ų167154.9 Ų154.977%0.77378%0.782SS**  trans-79.2116157.4-94.5-85.3000108.4
382H36.4Very low36.7Very low167 Ų167155.1 Ų155.177%0.77378%0.783SS**  trans-78.3122164.4-92.4-95.7000109.7
383H38.5Very low37.1Very low177 Ų177152.3 Ų152.382%0.81978%0.781SS**  trans-90.2139.7158.1-82.1-93.6000108.8
384S38.5Very low36.9Very low107 Ų107148.8 Ų148.875%0.74878%0.781SS**  trans-108.8145.2168.2-60.90000109.8
385P43.6Very low36.8Very low117 Ų117143.7 Ų143.776%0.7677%0.772SS**  trans-80.1159.9-176.933-35.9000113.2
386P43.8Very low37Very low124 Ų124141.9 Ų141.981%0.80578%0.776SS**  trans-93.1157.2-178.537-35.4000114.2
387T32.8Very low36.9Very low138 Ų138142.2 Ų142.285%0.84778%0.778SS**  trans-141.2163.2172.731.20000110.9
388P40.4Very low36.7Very low120 Ų120141.9 Ų141.978%0.77978%0.776SS**  trans-89.9169.9-147.934.7-37.5000117
389P44.3Very low36.5Very low118 Ų118143 Ų14377%0.76678%0.782SS**  trans-98.9162.2-169.438.6-36.1000115.4
390H32.2Very low36.2Very low172 Ų172144 Ų14480%0.79679%0.786SS**  trans-146.4132.9161.7-100.9-76.3000113.8
391H32.9Very low36.1Very low173 Ų173145 Ų14580%0.80179%0.791SS**  trans46.1148.6158.1-60.5-50.1000124.9
392Q33.2Very low35.9Very low179 Ų179142.5 Ų142.584%0.83679%0.79SS**  trans-92.7172.2171.8-49.5171-26.100110.1
393P41.9Very low35.8Very low128 Ų128141.8 Ų141.883%0.83179%0.787SS**  -136.9-177.774.9186.1000112.4
394A29.4Very low35.7Very low93 Ų93138.8 Ų138.877%0.76978%0.783SS**  cis-159.7174.3-27.800000107.7
395A32.4Very low35.5Very low85 Ų85138 Ų13870%0.70278%0.783SS**  trans-80.8174.2-175.700000114.3
396P39.4Very low35.1Very low133 Ų133138.3 Ų138.386%0.86479%0.785SS**  -131.6173.289.538.9-30.4000115.3
397Q33.4Very low34.5Very low168 Ų168141.6 Ų141.679%0.78579%0.787SS**  trans-109.6156.5-176.5-57171.3-14.800112
398Q31.1Very low34.4Very low171 Ų171146.3 Ų146.380%0.79979%0.791SS**  -174.9116.6129.5-100.2165.629.800109.7
399Q30.5Very low33.9Very low156 Ų156149.5 Ų149.573%0.72980%0.796SS**  74.8104.191.3-74.4-175-3.400115.8
400H30.9Very low33.3Very low196 Ų196151.7 Ų151.791%0.90780%0.8SS**  -157.2172.1122.7-114.769.1000113
401Q31.7Very low33Very low155 Ų155147.4 Ų147.472%0.72480%0.802SS**  trans-117.8146.3-150.8-166.4179.336.400113.3
402P35.9Very low33.1Very low116 Ų116144.3 Ų144.375%0.75380%0.8SS**  trans-88.6138.3176.934.1-33.7000113.3
403Q34.6Very low33Very low152 Ų152142.3 Ų142.371%0.7180%0.8SS**  trans-148165.5174.8-69.9-63-5.900109.4
404P37.4Very low32.6Very low114 Ų114141.1 Ų141.174%0.7480%0.795SS**  -124.3168.8-86.128.3-7.4000113.7
405A34.5Very low32.6Very low90 Ų90147.3 Ų147.374%0.74480%0.8SS**PPolyproline II helixtrans-81.5139.1177.200000112.7
406P35Very low32.8Very low124 Ų124151.3 Ų151.381%0.80581%0.809SS**PPolyproline II helixtrans-73.4139.3173.930.4-33.9000111.6
407K31.2Very low32.4Very low193 Ų193153.2 Ų153.284%0.83981%0.811SS**PPolyproline II helixtrans-97.7136175.4-57.1171.2-1771740110
408Y30.3Very low32.3Very low236 Ų236152 Ų15293%0.92581%0.81SS**  trans-137.9150.7152.2-91.9-78.7000110.1
409Q28.9Very low32.4Very low188 Ų188152.8 Ų152.888%0.87981%0.81SS**  trans-94164.7-164.8-62.6-166.335.300113.7
410L32.2Very low32.8Very low163 Ų163151 Ų15185%0.85381%0.813SS**  trans-66.3143.4164.3-77.969.6000110.4
411G26.4Very low32.9Very low82 Ų82149 Ų14985%0.84581%0.808SS**  trans-126.8115.7155.300000107.9
412S35.1Very low33.2Very low109 Ų109151.1 Ų151.176%0.76281%0.814SS**  trans-114.1125.2-169.555.90000112.5
413T31.1Very low33.6Very low136 Ų136151.2 Ų151.283%0.83481%0.813SS**  trans-133140.515948.80000109.2
414S32.9Very low33.7Very low103 Ų103151.8 Ų151.872%0.7282%0.815SS**  trans-119.6131.8180590000110
415Y30.1Very low34.1Very low223 Ų223154 Ų15488%0.87582%0.818SS**  trans-138.1133.6161.5-71.9-69.9000110.8
416L35.9Very low34.4Very low169 Ų169156.4 Ų156.489%0.88581%0.814SS**  trans-89.2131.8172.8-111.8167.5000108.6
417L30.8Very low34.5Very low174 Ų174155.3 Ų155.391%0.91181%0.809SS**  trans-159.3159.1156.9-114.2147.9000111.4
418D31.5Very low34.8Very low142 Ų142155.3 Ų155.376%0.75981%0.809SS**  trans-115.5173.7-160.1-153.6-41.6000111.5
419K33.3Very low35.6Very low187 Ų187151.2 Ų151.281%0.81380%0.803SS**  trans89.3149.9170.1-58.6170.9-177.4172.30117.2
420P39.6Very low36.4Very low120 Ų120149.4 Ų149.478%0.77980%0.796SS**  trans-95.5150.3-162.336.5-35.9000114.9K422P420-K422 PolarHBondContact O-N 3.14Å
421L33.5Very low36.7Very low154 Ų154148.3 Ų148.381%0.80679%0.791SS**  trans-63.2124.5171.8-77.9163.8000112.2
422K38Very low37.3Very low198 Ų198152.5 Ų152.586%0.86179%0.793SS**  trans-136.720.2167.6-153.4-170174.4-168.20112.1P420P420-K422 PolarHBondContact O-N 3.14Å
423V43.1Very low37.6Very low119 Ų119156 Ų15672%0.72180%0.797SS**  trans-130.461.9-171.1-1680000109.9
424E37.6Very low37.6Very low163 Ų163154.7 Ų154.776%0.76279%0.794SS**SBendtrans-142.617.4175.1-147.1179.317500112.2
425M44.8Very low37.4Very low161 Ų161153.2 Ų153.279%0.79380%0.795SS**SBendtrans-117.8-15.1-178.7-163.6168.768.500113.4
426E40.9Very low37.5Very low141 Ų141150.9 Ų150.966%0.65980%0.796SS**SBendtrans-103.4-23.9-175.4-66.8174.3156.100112.6F428 L429E426-F428 PolarHBondContact O-N 3.08Å; E426-F428 VanDerWaalsContact O-N 3.14Å; E426-L429 PolarHBondContact O-N 3.05Å
427S36.7Very low37.6Very low101 Ų101148.7 Ų148.771%0.70679%0.792SS**G310 helixtrans-62.1-20.7175.2-168.20000113.7L429S427-L429 VanDerWaalsContact C-N 3.33Å
428F38.3Very low37.8Very low192 Ų192143.8 Ų143.884%0.84278%0.784SS**G310 helixtrans-86.32.7-179-110.2-81.7000114.3E426E426-F428 PolarHBondContact O-N 3.08Å; E426-F428 VanDerWaalsContact O-N 3.14Å
429L46.5Very low38Very low151 Ų151143.3 Ų143.379%0.79179%0.789SS**G310 helixtrans-118.80.7-179.4-79.3170.1000114.3E426 S427E426-L429 PolarHBondContact O-N 3.05Å; S427-L429 VanDerWaalsContact C-N 3.33Å
430M46.8Very low37.9Very low150 Ų150140.9 Ų140.974%0.73979%0.79SS**SBendtrans-104.3-2.3-175.7-74-97.758.700114.8
431D38.8Very low38.6Very low139 Ų139140.5 Ų140.574%0.74379%0.787SS**SBendtrans-111.631.9-167.5-148.27.4000113.8
432L38.7Very low38.2Very low170 Ų170138.9 Ų138.989%0.8979%0.789SS**SBendtrans-138.715.6-179.2-88.4176000114.4
433Q40.5Very low37.7Very low183 Ų183133.6 Ų133.686%0.85578%0.782SS**  trans-137.547.4-172.3-159.993.147.800113.5
434S31.8Very low37.1Very low109 Ų109136.2 Ų136.276%0.76279%0.786SS**  trans-147.593.4179.743.80000112.5
435G28.3Very low37.9Very low72 Ų72132.6 Ų132.674%0.74278%0.777SS**  trans-173107.8177.700000116.3
436L32.4Very low37.2Very low173 Ų173133.3 Ų133.391%0.90678%0.778SS**  trans74.8154.9157.1-60.9-176.3000116.6
437P37.7Very low36.7Very low123 Ų123131 Ų13180%0.79978%0.782SS**  -124.7174.9-122.941.1-29.4000115.8
438G35.3Very low36.4Very low72 Ų72130.8 Ų130.874%0.74279%0.787SS**  trans-110.6166.7174.700000114.4
439P35.3Very low35.8Very low132 Ų132126.5 Ų126.586%0.85779%0.787SS**  trans-113.6169.6160.536.9-26.6000113.3
440V30.2Very low35Very low136 Ų136124.9 Ų124.982%0.82479%0.789SS**  trans-132.7-175.5-174.9-68.10000109.4
441P56.1Low35.4Very low112 Ų112123.2 Ų123.273%0.72779%0.789SS**  cis-129.1-179.4-26.330.5-10.6000113.5
442S25.3Very low36.2Very low120 Ų120121.8 Ų121.884%0.83979%0.787SS**  trans163.3152.7140-76.30000112
443A26.6Very low35.9Very low87 Ų87121.4 Ų121.472%0.71978%0.778SS**  cis-169.4134-26.400000111.2
444E31.3Very low35.3Very low174 Ų174119 Ų11981%0.81377%0.772SS**  trans66.7166.5142.3-77.4-62.489.600120.1
445P54Low35.2Very low86 Ų86117.4 Ų117.456%0.55877%0.772SS**  -134.7-157.3-11944.1-24.1000115.7
446H30.4Very low35.5Very low176 Ų176122.6 Ų122.682%0.81578%0.782SS**  trans151.2121.4154.7-77.2-51.6000108.8
447A30.2Very low35.5Very low92 Ų92122.2 Ų122.276%0.7678%0.775SS**  75.1137.167.100000114.2
448A29.3Very low35.9Very low98 Ų98121 Ų12181%0.8177%0.768SS**  cis-170.4-177-12.200000111.3
449A26.2Very low35.7Very low101 Ų101123.3 Ų123.384%0.83577%0.767SS**  trans82.8166.4161.700000120.4
450S28.9Very low35.6Very low118 Ų118122.5 Ų122.583%0.82577%0.765SS**  trans-134.3-139.1-153.5-560000115.3
451P55.8Low35.5Very low115 Ų115119.1 Ų119.175%0.74776%0.758SS**  trans-117.4-142.5-130.542-19.8000111.4
452P55.1Low34.3Very low108 Ų108122.3 Ų122.370%0.70177%0.767SS**  cis-134.5-171.5-17.531.1-7.5000114.4
453K32.7Very low34.5Very low162 Ų162120.4 Ų120.470%0.70476%0.759SS**  165.2150.2115.9-94.5-178.6146.6-76.90118.5
454D29.6Very low34.6Very low134 Ų134123 Ų12372%0.71776%0.761SS**  trans53.9144146.4-48.1-16.3000121.9
455G29.4Very low34.6Very low75 Ų75121 Ų12177%0.77376%0.756SS**  trans174.87.8177.500000125.5
456L33Very low33.6Very low181 Ų181123.9 Ų123.995%0.94877%0.766SS**  trans50.5119.8162.8-66.7169.2000122.6
457E32.7Very low33.5Very low164 Ų164121.7 Ų121.777%0.76677%0.769SS**  trans-63.5171.6149.1-89.9-75.6123.600111.7
458P46.2Very low33.4Very low98 Ų98120.8 Ų120.864%0.63677%0.769SS**  cis-157.4173.940.643.3-20.6000122
459T32.3Very low33.5Very low120 Ų120123.6 Ų123.674%0.73677%0.77SS**  trans65.2159.9146.848.30000119.4
460S32.4Very low34.2Very low116 Ų116123.8 Ų123.881%0.81176%0.763SS**  cis-173.7160.9-19.151.50000107
461G27.5Very low34.2Very low65 Ų65125.3 Ų125.367%0.6776%0.761SS**  cis151.7164.73.300000109.7
462L32.5Very low32.9Very low178 Ų178126.7 Ų126.793%0.93276%0.761SS**  trans70136.5172.3-52.4177.5000114.1
463A29.1Very low31.6Very low80 Ų80125.9 Ų125.966%0.66176%0.758SS**  cis119.5152.546.400000107.2
464D29.2Very low31.4Very low143 Ų143127.3 Ų127.377%0.76576%0.764SS**  cis-160.8178.5-13.4-116.8-47.8000110.2
465D29.6Very low31.5Very low131 Ų131126.1 Ų126.170%0.70177%0.766SS**  trans65.1122.3151.9-80.1-39.8000125.2
466L33.3Very low32.3Very low147 Ų147128.6 Ų128.677%0.7777%0.769SS**  69.4113.7127.6-64.9168000125.2
467C29.4Very low32Very low130 Ų130124.9 Ų124.988%0.87876%0.764SS**  66124.3120-158.10000121.6
468G27.2Very low32.1Very low73 Ų73123.8 Ų123.875%0.75377%0.768SS**  trans170.868.4168.300000117.7
469D30.5Very low31.2Very low156 Ų156127.1 Ų127.183%0.83478%0.779SS**  trans-66.7147150.9-96.9-57.8000108.6
470P41.8Very low31.1Very low106 Ų106125.4 Ų125.469%0.68878%0.777SS**  -156.6155.557.740.6-18.9000120.1
471L28.7Very low30.9Very low149 Ų149129 Ų12978%0.7878%0.781SS**  trans66.3138.2135.3-68.8172.5000124.1
472L29.4Very low31.1Very low145 Ų145130.9 Ų130.976%0.75978%0.784SS**  trans7796.6139.2-73.3167.3000122.3
473S26.8Very low31.2Very low91 Ų91129.8 Ų129.864%0.63678%0.778SS**  112.8158.2106.481.20000119.6
474K28.6Very low31.3Very low191 Ų191132.5 Ų132.583%0.8379%0.791SS**  trans69.886.5162.6-65165-174.4170.10117.8
475S30.9Very low31.5Very low109 Ų109130 Ų13076%0.76279%0.79SS**  trans-34.7166.8134.556.50000116
476P46.4Very low31.7Very low128 Ų128128.3 Ų128.383%0.83179%0.794SS**  cis-129.8163.6-10.436.5-20.7000114.2
477A26.6Very low31.7Very low102 Ų102128.9 Ų128.984%0.84380%0.798SS**  trans-140142.9163.400000111
478V34.9Very low32.1Very low141 Ų141130 Ų13086%0.85579%0.792SS**  trans-108.9122.4179175.10000109.1
479I28.2Very low32.3Very low169 Ų169132.1 Ų132.187%0.86779%0.787SS**  trans-135.8143.4150.8-52.3-178.1000106.4
480A30.1Very low32.7Very low83 Ų83132.7 Ų132.769%0.68678%0.782SS**  trans-83.6163.6175.700000111
481E29.2Very low32.5Very low191 Ų191132 Ų13289%0.89378%0.779SS**  -165.8157.8118.9-116-174.3179.800115.7
482S29.8Very low33.2Very low105 Ų105133.4 Ų133.473%0.73478%0.782SS**  trans58.9150.6151.2-146.30000122.6
483L34.9Very low33.7Very low155 Ų155133.7 Ų133.781%0.81278%0.783SS**  trans-83159.5-176.6-61.471.4000110.8
484C32.3Very low34.3Very low137 Ų137137.9 Ų137.993%0.92680%0.797SS**  -153129.9124.8-136.50000111.7
485A33.1Very low34.4Very low92 Ų92131.9 Ų131.976%0.7679%0.79SS**  trans-104.6108.3177.700000109.9N487A485-N487 PolarHBondContact O-N 3.22Å
486A33.4Very low34.5Very low95 Ų95136.6 Ų136.679%0.78580%0.797SS**  trans-77.890.7178.900000111.7
487N33.6Very low33.8Very low158 Ų158138.6 Ų138.685%0.84580%0.8SS**  trans-62.9137.8151.5-89.1-30.3000108.5A485A485-N487 PolarHBondContact O-N 3.22Å
488M37.8Very low34.4Very low153 Ų153139 Ų13975%0.75479%0.794SS**  trans-111.1102.9170.1-70.2-92.469.500108.5F490M488-F490 HydrophobicContact CB-CE2 4.3Å
489D31.2Very low34.3Very low119 Ų119139.9 Ų139.964%0.63679%0.793SS**  trans-76.1150.6170.3-167.5-4.9000110.1S491D489-S491 WeakPolarHBondContact OD1-CB 3.33Å; D489-S491 PolarHBondContact OD1-N 2.86Å; D489-S491 PolarHBondContact OD1-OG 3.45Å; D489-S491 PolarHBondContact OD2-OG 2.65Å
490F39.1Very low34.4Very low168 Ų168139.7 Ų139.774%0.73779%0.794SS**  trans-125.516.6179.5-82.3-86.4000112.8M488 H492M488-F490 HydrophobicContact CB-CE2 4.3Å; F490-H492 PolarHBondContact O-N 2.99Å
491S37.9Very low34.7Very low90 Ų90142.7 Ų142.763%0.62980%0.797SS**THydrogen-bonded Turntrans-69.221.5-174.2-60.70000116.6D489D489-S491 WeakPolarHBondContact OD1-CB 3.33Å; D489-S491 PolarHBondContact OD1-N 2.86Å; D489-S491 PolarHBondContact OD1-OG 3.45Å; D489-S491 PolarHBondContact OD2-OG 2.65Å
492H43.7Very low35.1Very low180 Ų180139.3 Ų139.383%0.83379%0.792SS**THydrogen-bonded Turntrans-124.323.6-175.9-77.1-73.2000115F490F490-H492 PolarHBondContact O-N 2.99Å
493L38.7Very low35.6Very low150 Ų150140 Ų14079%0.78579%0.794SS**SBendtrans-125.129.4178.5-76.6176.3000114.8
494L40.5Very low35.3Very low179 Ų179143 Ų14394%0.93780%0.796SS**  trans-141.8134.8167.9-72.6177.2000111.7
495G30.4Very low35.4Very low66 Ų66141.3 Ų141.368%0.6879%0.786SS**  trans116128.6-177.500000111.5
496F32.4Very low35.5Very low207 Ų207141.4 Ų141.491%0.90879%0.787SS**  cis-146157.5-1.5-84.2-97.6000110
497L32.7Very low35.8Very low170 Ų170142.1 Ų142.189%0.8978%0.784SS**  trans178.8160.6135.8-91.7161.9000108.3
498P39.2Very low35.7Very low112 Ų112142.9 Ų142.973%0.72778%0.784SS**  trans-105.4166.2-13939.3-38.6000116.3
499L32.7Very low35.3Very low159 Ų159141.2 Ų141.283%0.83279%0.787SS**  trans-89.2139.5165.6-68.5171000111.2
500N30.3Very low35.5Very low164 Ų164141.9 Ų141.988%0.87780%0.796SS**  trans-147.1155.9149-112.5-71.7000109.9
501L35.7Very low35.1Very low146 Ų146137.7 Ų137.776%0.76480%0.8SS**  trans-90.6160.7-162.7-104.869.1000112.7
502P38.1Very low34.7Very low120 Ų120136.9 Ų136.978%0.77981%0.806SS**  -142.3171.866.532.9-11000116.5
503P40.2Very low34.2Very low121 Ų121137 Ų13779%0.78681%0.812SS**  trans-83152.3-179.333.9-36000113.6
504Y28.6Very low33.9Very low217 Ų217136.3 Ų136.385%0.85181%0.814SS**  trans-127.4129.6169.1-167-100.3000110.5
505S33Very low33.7Very low101 Ų101136.6 Ų136.671%0.70681%0.813SS**PPolyproline II helixtrans-94.9149.3-177.744.60000112.1
506A35.6Very low33.7Very low95 Ų95136.5 Ų136.579%0.78581%0.811SS**PPolyproline II helixtrans-75.8132.4174.200000110.8M508A506-M508 PolarHBondContact O-N 3.45Å
507P40Very low33.7Very low110 Ų110136.8 Ų136.871%0.71481%0.808SS**PPolyproline II helixtrans-76.9121.3176.629.6-33000111.4
508M31.8Very low33.7Very low174 Ų174134.3 Ų134.386%0.85780%0.8SS**PPolyproline II helixtrans-76.5132156.6-68.8-89.378.600108.4A506A506-M508 PolarHBondContact O-N 3.45Å
509S30.5Very low33.4Very low117 Ų117134.6 Ų134.682%0.81881%0.805SS**PPolyproline II helixtrans-99.8119.4175.6-171.40000110.2
510T35.4Very low33.3Very low133 Ų133132.2 Ų132.282%0.81680%0.801SS**  trans-144.6138.7176.449.30000110.5
511G29.5Very low33.3Very low80 Ų80130.5 Ų130.583%0.82580%0.797SS**  trans98.1135.2-177.400000112.1
512G30Very low33.1Very low74 Ų74129.8 Ų129.876%0.76380%0.798SS**  cis153.9114.3-5.600000111.2
513L33Very low32.8Very low183 Ų183128.8 Ų128.896%0.95879%0.794SS**  trans-127.8136.3170-78.1174.4000109.8
514V33.2Very low32.3Very low135 Ų135128.2 Ų128.282%0.81879%0.793SS**  trans-103.5125.7-174.3170.50000109.8
515M35.6Very low32.4Very low185 Ų185123.6 Ų123.691%0.91179%0.787SS**  trans-159.4145.1144.8-151.1125.5-71.800107.5
516G29.9Very low32.3Very low63 Ų63123.4 Ų123.465%0.64979%0.786SS**  trans-168.5171.9-175.200000114.8
517Y33.2Very low32Very low214 Ų214124 Ų12484%0.83979%0.785SS**  trans-158.7138.9177.933.1-98.7000111.6
518T31.7Very low31.6Very low118 Ų118123.8 Ų123.872%0.72479%0.786SS**  trans37.3113.7155.456.50000119.4
519S32.5Very low31.6Very low118 Ų118120 Ų12083%0.82578%0.777SS**  61.5124.787.8-54.70000113.3
520S30.8Very low31.7Very low108 Ų108119.7 Ų119.776%0.75577%0.774SS**  cis-151.3135.442.248.50000112.3
521V30.4Very low31.5Very low129 Ų129120.5 Ų120.578%0.78277%0.773SS**  59.3101.186.9-175.80000116
522T31.5Very low31.5Very low131 Ų131125.3 Ų125.380%0.80477%0.773SS**  -160.4114.2120.340.30000110.8
523S31.4Very low31.5Very low98 Ų98127.4 Ų127.469%0.68578%0.776SS**  trans33120.1131.8-42.60000119.9
524S30.1Very low31.3Very low110 Ų110123.7 Ų123.777%0.76977%0.772SS**  60.3140.365.976.90000113.8
525T30.4Very low31.3Very low119 Ų119126.1 Ų126.173%0.7378%0.775SS**  cis-127.2161.12354.10000111.5
526S30.9Very low32.2Very low97 Ų97122 Ų12268%0.67876%0.761SS**  57.7144.851.889.90000114
527S31.3Very low32.3Very low108 Ų108128.4 Ų128.476%0.75577%0.774SS**  cis-151.9-174.326.3-56.80000114.4
528S31.6Very low32.2Very low106 Ų106123 Ų12374%0.74177%0.773SS**  trans-69-175.6168.761.80000113.2
529S31.2Very low32.1Very low95 Ų95122.2 Ų122.266%0.66478%0.779SS**  cis-170.2144.724.17.70000114.9
530S32Very low31.9Very low109 Ų109121.3 Ų121.376%0.76278%0.779SS**  56148.1129-45.20000125.7
531L30.8Very low31.9Very low150 Ų150122.7 Ų122.779%0.78578%0.782SS**  trans74.1123.3162.3-59.6169.1000117.1
532H30.3Very low31.8Very low182 Ų182120.9 Ų120.984%0.84378%0.781SS**  -154.3-17956.8-104.5151.8000114.4
533S30.1Very low31.7Very low117 Ų117119 Ų11982%0.81878%0.779SS**  trans-107.5145.6-170.8-44.10000114.7
534A28.9Very low31.7Very low106 Ų106119.3 Ų119.388%0.87679%0.787SS**  trans-167.6140.4145.500000112.5
535E32.5Very low31.6Very low186 Ų186118.7 Ų118.787%0.86979%0.789SS**  trans-119.5174.3164.3-109.3-149.713400108
536P54Low31.6Very low97 Ų97117.8 Ų117.863%0.6379%0.793SS**  cis-127.5-169.2-31.436.5-20.2000110.6
537H32.2Very low31.6Very low199 Ų199117.8 Ų117.892%0.92180%0.799SS**  trans-136.9140.3163.8-105.1-85000113.1
538A31.6Very low31.5Very low99 Ų99119.8 Ų119.882%0.81881%0.807SS**  trans-111.8171-17700000113
539A30.8Very low31.5Very low102 Ų102118.8 Ų118.884%0.84381%0.805SS**  trans-73.1148.5-164.100000116.2
540A28.2Very low31.5Very low100 Ų100121.3 Ų121.383%0.82682%0.816SS**  trans-124.1167162.400000109.6
541V29.1Very low31.5Very low136 Ų136120.3 Ų120.382%0.82482%0.815SS**  trans-146.8156.9-154.6150.70000113.9
542A30Very low32.6Very low92 Ų92118.4 Ų118.476%0.7681%0.811SS**  trans73.3163.1163.400000118
543A29.1Very low32.5Very low91 Ų91116.6 Ų116.675%0.75281%0.807SS**  cis-170.6147.8-33.500000113.2
544A29.8Very low32.5Very low104 Ų104117 Ų11786%0.8681%0.805SS**  trans62.5162141.600000124.6
545A28.5Very low32.5Very low97 Ų97116.8 Ų116.880%0.80280%0.797SS**  trans90.770150.100000122.9
546A29.9Very low32.3Very low100 Ų100116 Ų11683%0.82680%0.797SS**  42.3131.8117.100000125
547A31.1Very low31.1Very low98 Ų98119 Ų11981%0.8180%0.803SS**  trans75.3135.4135.700000122.8
548V29.4Very low31.6Very low150 Ų150115 Ų11591%0.90980%0.795SS**  -170161.9114.2147.20000108.7
549A31.5Very low31.4Very low85 Ų85118 Ų11870%0.70279%0.792SS**  trans-113.1165.9-168.600000114
550T30.9Very low32.3Very low147 Ų147117.6 Ų117.690%0.90278%0.781SS**  trans-166.3155.5138.617.60000112.7
551A33.1Very low32.2Very low88 Ų88120.5 Ų120.573%0.72778%0.778SS**  trans-113.3-168162.800000107.9
552P53.7Low32Very low111 Ų111120 Ų12072%0.72177%0.766SS**  cis-148.8-164.532.831.9-3.7000116.9
553L28.6Very low32Very low143 Ų143122 Ų12275%0.74976%0.76SS**  trans112.2113.8148.2-62.5177.2000120.3
554T30.2Very low32.1Very low127 Ų127124.9 Ų124.978%0.77976%0.758SS**  trans57145.3136.352.40000122
555S28.4Very low31.9Very low100 Ų100124.4 Ų124.470%0.69975%0.748SS**  cis-167.9168.9-11.9-165.40000111.2
556L27.4Very low32.1Very low169 Ų169124.6 Ų124.689%0.88574%0.743SS**  trans72.7147.9158.6-77.2158.9000121.8
557Q30.7Very low32.1Very low160 Ų160124.9 Ų124.975%0.74874%0.74SS**  trans-107.4169.7175.6-126.9-176.3-47.800108.7
558P41.6Very low31.9Very low117 Ų117124.2 Ų124.276%0.7674%0.742SS**  -149.3-17059.840.3-18.2000116.6
559Q28Very low31.9Very low161 Ų161120.9 Ų120.975%0.75274%0.738SS**  trans-96.7-162.3164.4-48.8-172.7-28.700110.2
560P48.6Very low31.9Very low94 Ų94125.4 Ų125.461%0.6175%0.749SS**  cis-133.8-165.8-17.730.9-7.9000113.9
561Q26Very low32Very low161 Ų161121.8 Ų121.875%0.75274%0.742SS**  trans75.7158148.6-118.3170.7-70.500115.9
562E25.7Very low32Very low126 Ų126126.4 Ų126.459%0.58975%0.753SS**  cis-144.1148.621.7-83.1-1138900114.9
563Q30.6Very low30.9Very low134 Ų134124.3 Ų124.363%0.62675%0.751SS**  trans61168.4138.9-64.7-173.128.400120.5
564Q29.9Very low32.1Very low151 Ų151123.1 Ų123.171%0.70675%0.753SS**  cis-151.1155.412-146.3165.762.300113.1
565S27Very low32.1Very low94 Ų94125.2 Ų125.266%0.65776%0.758SS**  trans28154.9146.460.90000123.8
566S31.7Very low32.5Very low100 Ų100127.4 Ų127.470%0.69976%0.757SS**  cis-179.1174-19.458.70000108.3
567S30.3Very low33Very low107 Ų107125.1 Ų125.175%0.74875%0.752SS**  trans40124.8152.155.30000120.1
568G27.1Very low33.3Very low84 Ų84124.1 Ų124.187%0.86675%0.751SS**  cis104.2115.327.100000110.9
569G28Very low34.2Very low79 Ų79124 Ų12481%0.81475%0.75SS**  trans-178.5144.2179.500000111.8
570L33.3Very low35.4Very low180 Ų180121.4 Ų121.494%0.94275%0.748SS**  trans-127135.5-172.5-74.3171.7000112.7
571G32.7Very low34.7Very low72 Ų72122.8 Ų122.874%0.74275%0.754SS**  trans88132.2143.900000118.4
572L32.2Very low34.9Very low184 Ų184123.9 Ų123.996%0.96376%0.757SS**  164.6148.1126.5-85174.4000109.3
573G31.7Very low35.1Very low67 Ų67122.6 Ų122.669%0.69176%0.761SS**  trans-121.1-156.3166.600000109.8
574P53.3Low35.3Very low119 Ų119121.7 Ų121.777%0.77377%0.77SS**  cis-137.1-144.72.341.4-21.1000112.7
575L29.2Very low35.3Very low171 Ų171120.1 Ų120.190%0.89578%0.776SS**  trans103.9157.4164.7-55.5-178.8000118.5
576H37.2Very low35.6Very low146 Ų146123.4 Ų123.468%0.67679%0.785SS**  trans-159.9142.1-162.7173.3-100.5000109.7
577P39.2Very low35.6Very low120 Ų120123.4 Ų123.478%0.77979%0.785SS**  trans-144.4153.3133.335.8-20.1000116.4
578L36.2Very low35.7Very low139 Ų139125.2 Ų125.273%0.72879%0.786SS**  trans-96.7-166.4159.2-72.4170.4000108
579P59.6Low36.1Very low114 Ų114127 Ų12774%0.7478%0.781SS**  cis-119.7-141.4-3.546.5-28.7000108.9
580P53.3Low36.4Very low108 Ų108129.5 Ų129.570%0.70178%0.78SS**  cis-115.8-160-1121.95.9000111.4
581V35.1Very low36.7Very low122 Ų122128.8 Ų128.874%0.73978%0.776SS**  cis-149141.516.7-1450000112
582F29Very low37.4Very low185 Ų185131.1 Ų131.181%0.81178%0.778SS**  trans23.1139.4150.2-75.6-116.7000122.1
583S31.3Very low37.4Very low99 Ų99132.9 Ų132.969%0.69277%0.772SS**  cis78.9139.228.7-53.50000115
584S34.3Very low37.5Very low115 Ų115139.9 Ų139.980%0.80478%0.784SS**  cis-169.5160.6-7.1-89.20000109.6
585S29.4Very low36.6Very low118 Ų118143.2 Ų143.283%0.82579%0.789SS**  trans-166.1150.6139.7-162.40000113.6
586L34.5Very low36.8Very low163 Ų163143.6 Ų143.685%0.85379%0.786SS**  trans-91.4177.3161.9-61.5155.1000107.9
587S31.4Very low36.7Very low99 Ų99141.1 Ų141.169%0.69279%0.791SS**  cis-166.2-177.124.760.10000112.1
588N31.1Very low36.5Very low145 Ų145145.8 Ų145.878%0.77580%0.799SS**  trans92.2126.2148-93.6-4.7000123.4
589T35.6Very low36.7Very low123 Ų123151.8 Ų151.876%0.75582%0.824SS**  trans84.3139.9149.270.10000124.5
590T35.3Very low35.5Very low130 Ų130153.7 Ų153.780%0.79883%0.828SS**  trans88.2109.2152.3-44.10000120.1
591L39.4Very low34.6Very low165 Ų165156.1 Ų156.186%0.86483%0.834SS**  trans-92.7158162.7-70.6166000111.2
592P46.3Very low34.6Very low121 Ų121158 Ų15879%0.78684%0.84SS**  trans-131.891.2140.235.4-23.4000114.2
593R33.9Very low34.9Very low222 Ų222156.4 Ų156.484%0.83884%0.841SS**  30.199.9122.7-167.9-175.3-160.6159.14117.8
594F32.2Very low35.1Very low214 Ų214160 Ų16094%0.93985%0.851SS**  trans-142.286.3152.2-117.1-79.4000111.5
595H35.5Very low35.2Very low188 Ų188163 Ų16387%0.8785%0.854SS**  trans-149.770.8176.6-174.4-74.3000110.7
596Q33.6Very low35.6Very low180 Ų180166.2 Ų166.284%0.84186%0.856SS**  trans-158.976.6172.4-164165.94.300112.3
597A33.6Very low35.7Very low94 Ų94166.5 Ų166.578%0.77786%0.856SS**  trans-160.842.1170.400000112.7
598F35.8Very low36.1Very low217 Ų217172.1 Ų172.195%0.95287%0.87SS**  trans-150.780.2169.4-117.6-73.8000110.9
599Q40.4Very low36.5Very low266 Ų266174.5 Ų174.5100%1.24388%0.878SS**  trans-138.80161-120.9178.5-600106.9

Retrieved 599 of 599 residues in 900.3 ms (Link to these results)