A0A087XD81_POEFO Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A087XD81, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 221 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low37.2Very low240 Ų240158.1 Ų158.1100%1.18284%0.837SS**  0121.80-79.6158.3128.100108.2
2C38.2Very low37.1Very low119 Ų119154.7 Ų154.780%0.80483%0.833SS**  trans46.4107.7163-50.40000118.8
3R39.4Very low37.7Very low228 Ų228152.5 Ų152.586%0.8683%0.832SS**  49.8130.686.5-83.9-174.1177.6-160.1-0.4112.3
4W32.9Very low37.4Very low242 Ų242155.7 Ų155.792%0.91783%0.834SS**  -155.9145.479.8-95.653.7000113.8
5M37.1Very low37.2Very low155 Ų155156.2 Ų156.276%0.76484%0.835SS**  trans-76.6161.3159.9-64.2160.385.800108.8
6T41.3Very low37Very low122 Ų122154.1 Ų154.175%0.74883%0.83SS**  -179.2138.374.129.40000107.8
7S36.2Very low36.7Very low116 Ų116154.1 Ų154.181%0.81183%0.829SS**  65.3113.677.8-160.70000117
8A41.8Very low36.4Very low95 Ų95159.3 Ų159.379%0.78584%0.835SS**  trans174.1117.814000000107.3
9A37.5Very low36.2Very low77 Ų77157.2 Ų157.264%0.63683%0.829SS**  cis97.3129.447.600000113.4
10H33.2Very low36.1Very low175 Ų175153.8 Ų153.881%0.8182%0.824SS**  trans74.4116.7158.4-55.7-66.1000120.6
11L35.2Very low36Very low170 Ų170152.4 Ų152.489%0.8982%0.822SS**  179.3118.6100.1-101135.2000111.9
12C35.8Very low36Very low117 Ų117147.2 Ų147.279%0.79180%0.804SS**  trans-78.6160.2159-75.60000110.1
13P45Very low36.1Very low126 Ų126146.6 Ų146.682%0.81881%0.807SS**  -131.2145.4119.414.94.7000114.4
14K33.5Very low36Very low198 Ų198141.2 Ų141.286%0.86180%0.804SS**  trans-70.7144163.7-83.5170.5167.2169.20110.7
15L33.8Very low36.3Very low163 Ų163134.8 Ų134.885%0.85380%0.796SS**  trans-144.497143.6-97.4116.5000107.4
16T34.2Very low36.4Very low122 Ų122133.9 Ų133.975%0.74880%0.799SS**  68.2103.999.943.60000115.2
17L33Very low36Very low155 Ų155131.3 Ų131.381%0.81280%0.798SS**  trans-61.9136.1162.2-176.476.2000111
18R30.6Very low36Very low248 Ų248132.5 Ų132.594%0.93680%0.8SS**  trans-135132.8150.7-89.3-169.2168.5-169.2-3.1110.4
19T32.9Very low35.6Very low119 Ų119137.9 Ų137.973%0.7381%0.806SS**  trans-104.4166.1-176.7-21.30000109.9
20A33.9Very low36.1Very low88 Ų88141.8 Ų141.873%0.72782%0.815SS**  trans81.5143.3162.900000115.2
21T33.8Very low36.8Very low126 Ų126138.8 Ų138.877%0.77381%0.811SS**  cis-159.3160.225.7-45.20000110.2
22T36.3Very low37.2Very low131 Ų131138.6 Ų138.680%0.80481%0.81SS**  trans-44.5148.5171.945.70000117.5
23A40.4Very low38Very low105 Ų105138.8 Ų138.887%0.86881%0.81SS**  trans-154.9126.9140.400000111.5
24S36.7Very low37.9Very low115 Ų115138.3 Ų138.380%0.80481%0.809SS**  trans-75.2149.3173.248.40000113
25S39.8Very low38.5Very low107 Ų107133.3 Ų133.375%0.74881%0.805SS**  trans-170.4125.1139.340.50000112.7
26T40.1Very low39Very low136 Ų136130.8 Ų130.883%0.83480%0.801SS**  trans38.6112.1137.861.20000117.2
27G32.7Very low39.3Very low69 Ų69129.4 Ų129.471%0.71180%0.796SS**  cis91.694.947.800000109.9
28T35.4Very low39.6Very low140 Ų140132.2 Ų132.286%0.85980%0.802SS**  trans-159.3103.9145.422.70000108.9
29F34.4Very low40.1Very low209 Ų209124.4 Ų124.492%0.91779%0.791SS**  trans-68.5132.6162.9-88.5-104.7000108.9
30I46.5Very low40.7Very low158 Ų158125.9 Ų125.981%0.8179%0.793SS**  trans-107.1122.9165.2-60.7176.3000107
31P48.4Very low41Very low113 Ų113126.9 Ų126.973%0.73480%0.801SS**PPolyproline II helixtrans-82.4149.8-173.732.5-32.5000112.6
32L44.7Very low41.3Very low165 Ų165125.7 Ų125.786%0.86480%0.797SS**PPolyproline II helixtrans-64139160.9-130.280.7000109.7
33P51.7Low41.7Very low122 Ų122126.7 Ų126.779%0.79280%0.797SS**PPolyproline II helixtrans-87134.1154.629.6-27.3000110.8
34S44Very low42Very low115 Ų115127.5 Ų127.580%0.80479%0.791SS**PPolyproline II helixtrans-75.8161.3179.448.60000113.8
35A45Very low42.5Very low93 Ų93129.8 Ų129.877%0.76979%0.794SS**PPolyproline II helixtrans-61146173.500000114
36S43.9Very low42.7Very low110 Ų110131.6 Ų131.677%0.76979%0.794SS**  trans179.7150.9131.743.70000111.9
37S41.1Very low43.1Very low93 Ų93133 Ų13365%0.6580%0.796SS**  trans64.9108.7158.9-710000117.9
38F39Very low43.6Very low214 Ų214135.1 Ų135.194%0.93979%0.794SS**  -159.690.7102.8-79.4-65.9000107.7
39A42Very low44.1Very low84 Ų84135.4 Ų135.469%0.69480%0.796SS**  trans-74.6156.7155.800000108.8
40L44.1Very low44.5Very low150 Ų150130.1 Ų130.179%0.78579%0.791SS**  trans73.991.6173.9-66.4104.4000117.2
41A40.1Very low44.1Very low109 Ų109126.2 Ų126.290%0.90179%0.79SS**  trans-111.779.313700000107.3
42C40.9Very low43.9Very low101 Ų101129.1 Ų129.168%0.68280%0.8SS**  trans-65.5126.4166.2-92.60000109.3
43L45.1Very low43.5Very low152 Ų152125.1 Ų125.180%0.79680%0.798SS**  26.4113.1123.7-146.387.3000116
44T46.6Very low42.8Very low122 Ų122124 Ų12475%0.74880%0.799SS**  167.1114.112436.40000110.7
45L46Very low42.7Very low164 Ų164124.5 Ų124.586%0.85980%0.801SS**  -154.5111.1125.3-15168.2000109.6
46L45.2Very low43.1Very low144 Ų144125.9 Ų125.975%0.75480%0.802SS**  trans-68.6144166.3-78.5140000109.5
47L47.7Very low43.6Very low167 Ų167126.7 Ų126.787%0.87481%0.805SS**  trans-147124.6143.6-107138.5000111
48V42.9Very low43.4Very low112 Ų112134.2 Ų134.268%0.67982%0.819SS**  trans-79.1139.9-176.8168.90000109.6
49T47.3Very low43.2Very low146 Ų146128.6 Ų128.690%0.89681%0.812SS**  trans-139.2127.2140.148.60000109.8
50A42.6Very low43Very low98 Ų98128 Ų12881%0.8181%0.814SS**  trans-80.3154.117800000111
51G38.5Very low42.5Very low77 Ų77130.3 Ų130.379%0.79482%0.82SS**  trans-167.4103.1170.200000111.3
52N44.4Very low42.2Very low174 Ų174132.7 Ų132.793%0.9381%0.813SS**  trans-60149.3-178.3-66-33.2000113.5
53G36.2Very low42.6Very low80 Ų80132.4 Ų132.483%0.82581%0.81SS**  trans-170.396.6168.900000112.4
54A35.4Very low42Very low99 Ų99133.3 Ų133.382%0.81882%0.815SS**  trans-70.9153.1-172.800000114.5
55C41.8Very low41.6Very low126 Ų126136.6 Ų136.685%0.85182%0.821SS**  trans-71.9155162.9-72.30000111.5
56P54.9Low41.1Very low121 Ų121132.3 Ų132.379%0.78682%0.817SS**  trans-131.2156.1130.536.1-25.4000112.7
57P54.7Low40.6Very low127 Ų127133.9 Ų133.983%0.82583%0.825SS**  trans-93.2153.217636.5-30.5000111.3
58R35.5Very low40.5Very low252 Ų252129.8 Ų129.895%0.95182%0.823SS**  trans-147.8132.1157.4-158.1167.9-178.4164.3-0.3112.5
59A36.4Very low40.4Very low95 Ų95129.4 Ų129.479%0.78583%0.826SS**  trans-79.2150.2-172.700000114.4
60G36Very low40.3Very low73 Ų73126.1 Ų126.175%0.75382%0.821SS**  trans39.5126.5141.800000121.4
61H34.5Very low40.5Very low197 Ų197127.3 Ų127.391%0.91282%0.818SS**  171.6129.293.4-133.6-101.7000110.5
62E34.7Very low40.9Very low159 Ų159130.9 Ų130.974%0.74382%0.819SS**  trans-73.4178.1168.3-95.1-81.3106.100111.8
63P48.6Very low40.9Very low95 Ų95127.3 Ų127.362%0.61781%0.807SS**  cis-136.2165.1-5.132.7-12.7000115.4
64L32.3Very low41.4Very low171 Ų171127.3 Ų127.390%0.89579%0.794SS**  trans-149.1127.1139.9-148.793.5000112.1
65Q38.8Very low41.8Very low191 Ų191133.2 Ų133.289%0.89380%0.795SS**  trans-65143.6-175.2-62.1165.5-20.500112.7
66G34.6Very low42.2Very low74 Ų74132.7 Ų132.776%0.76379%0.788SS**  trans-170.578.4175.400000114.4
67L35.5Very low42.1Very low177 Ų177133.6 Ų133.693%0.92779%0.786SS**  trans58.8109.7152.4-140.470.6000118.8
68G44.5Very low41.6Very low81 Ų81134.7 Ų134.784%0.83578%0.78SS**  trans-61.7135.5168.200000112.4
69S42.2Very low42.2Very low105 Ų105133.7 Ų133.773%0.73478%0.776SS**  trans-135.893.2152.8-168.90000106.6T71S69-T71 VanDerWaalsContact C-N 3.26Å; S69-T71 PolarHBondContact O-N 2.94Å
70G43.5Very low42.7Very low77 Ų77136.4 Ų136.479%0.79477%0.772SS**  trans-65.593.5165.700000107.5N72G70-N72 PolarHBondContact O-N 2.79Å
71T48Very low43.8Very low122 Ų122139 Ų13975%0.74877%0.774SS**  trans-70.583.2167.1-19.70000106.8S69 C73S69-T71 VanDerWaalsContact C-N 3.26Å; S69-T71 PolarHBondContact O-N 2.94Å; T71-C73 PolarHBondContact O-N 2.85Å
72N47.4Very low45.5Very low152 Ų152138.4 Ų138.481%0.81376%0.764SS**  trans-59.493.2165.8-141.9-3.9000105.4G70 S74G70-N72 PolarHBondContact O-N 2.79Å; N72-S74 PolarHBondContact O-N 2.91Å
73C44.3Very low47.2Very low100 Ų100134.9 Ų134.968%0.67676%0.756SS**  trans-73.261.9168.247.10000108.2T71 W75T71-C73 PolarHBondContact O-N 2.85Å; C73-W75 PolarHBondContact O-N 2.78Å
74S46.8Very low48.1Very low79 Ų79133.8 Ų133.855%0.55274%0.74SS**  trans-67.990.8163.7-172.40000105.8N72 T76N72-S74 PolarHBondContact O-N 2.91Å; S74-T76 PolarHBondContact O-N 2.9Å
75W43.2Very low49.9Very low223 Ų223130.8 Ų130.885%0.84573%0.725SS**  trans-65.967.9162.8-66.995.9000108.5C73 L77C73-W75 PolarHBondContact O-N 2.78Å; W75-L77 PolarHBondContact O-N 2.77Å
76T50.9Low51.2Low115 Ų115125.1 Ų125.171%0.70670%0.699SS**  trans-71.474.2149.452.40000105.6S74 E78S74-T76 PolarHBondContact O-N 2.9Å; T76-E78 PolarHBondContact O-N 2.8Å
77L51.9Low53Low141 Ų141124.6 Ų124.674%0.73868%0.678SS**  trans-57.895.6152.1-172.777000103.4W75 R79W75-L77 PolarHBondContact O-N 2.77Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 2.79Å
78E43.2Very low54.4Low149 Ų149121.7 Ų121.770%0.69666%0.66SS**  trans-39.9107.3160-110.5-179.8131.900104.6T76 H80T76-E78 PolarHBondContact O-N 2.8Å; E78-H80 PolarHBondContact O-N 2.74Å
79R48.3Very low55.5Low232 Ų232120.5 Ų120.588%0.87565%0.648SS**  trans-6782.1168.8-77.9-173.7-102147.8-7.4103.4L77 T81L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 2.79Å; R79-T81 PolarHBondContact O-N 2.93Å
80H48.6Very low57.3Low151 Ų151120.7 Ų120.770%0.69964%0.64SS**  trans-55.497.8167.7-98.2-88.7000104.7E78 R82E78-H80 PolarHBondContact O-N 2.74Å; H80-R82 PolarHBondContact O-N 2.89Å
81T58.2Low59.6Low129 Ų129119.9 Ų119.979%0.79162%0.62SS**  trans-60.698.6167.8-64.80000104.2R79 S83R79-T81 PolarHBondContact O-N 2.93Å; T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.68Å
82R69.9Low61.9Low184 Ų184114.6 Ų114.669%0.69459%0.586SS**  trans-60.4103.2173.4-69.6-173.6176.5-171-4.7105.8H80 Y84H80-R82 PolarHBondContact O-N 2.89Å; R82-Y84 HydrophobicContact CB-CD2 4.11Å; R82-Y84 HydrophobicContact CB-CE2 3.48Å; R82-Y84 VanDerWaalsContact CB-CE2 3.48Å; R82-Y84 WeakPolarHBondContact CD-OH 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; R82-Y84 PolarHBondContact O-N 2.88Å
83S69.9Low64.2Low85 Ų85111 Ų11159%0.59457%0.566SS**  trans-68.8117.5175.7-167.90000107.8T81 N85T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.68Å; S83-N85 PolarHBondContact OG-OD1 2.67Å
84Y67.4Low66.7Low71 Ų71108 Ų10828%0.27854%0.541SS..  trans-114.190.9177-67.9-70.3000108.2R82 H86 L87 I170R82-Y84 HydrophobicContact CB-CD2 4.11Å; R82-Y84 HydrophobicContact CB-CE2 3.48Å; R82-Y84 VanDerWaalsContact CB-CE2 3.48Å; R82-Y84 WeakPolarHBondContact CD-OH 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; R82-Y84 PolarHBondContact O-N 2.88Å; Y84-H86 AromaticContact CD1-CE1 3.54Å; Y84-H86 AromaticContact CG-CE1 3.96Å; Y84-H86 PolarHBondContact O-N 3.22Å; Y84-L87 HydrophobicContact CD2-CD1 3.9Å; Y84-L87 HydrophobicContact CG-CD1 4.05Å; Y84-L87 HydrophobicContact CG-CG 4.44Å; Y84-L87 WeakPolarHBondContact O-CA 3.17Å; Y84-L87 WeakPolarHBondContact O-CB 3.49Å; Y84-L87 PolarHBondContact O-N 2.82Å; Y84-I170 HydrophobicContact CD1-CD1 3.99Å; Y84-I170 HydrophobicContact CD2-CD1 3.75Å; Y84-I170 HydrophobicContact CE1-CD1 3.82Å; Y84-I170 HydrophobicContact CE2-CD1 3.58Å; Y84-I170 HydrophobicContact CG-CD1 3.95Å
85N70.9Confident69.1Low109 Ų109105.3 Ų105.358%0.58352%0.519SS*.G310 helixtrans-56.2-27.9-177.2-55.59.2000112.5S83 L87 E88S83-N85 PolarHBondContact OG-OD1 2.67Å; N85-L87 PolarHBondContact O-N 2.87Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 3.04Å; N85-E88 VanDerWaalsContact O-N 3.16Å
86H65.9Low71.7Confident72 Ų7294.7 Ų94.733%0.33348%0.479SS..G310 helixtrans-73.6-9.917769.7-91.5000114.5Y84 R92Y84-H86 AromaticContact CD1-CE1 3.54Å; Y84-H86 AromaticContact CG-CE1 3.96Å; Y84-H86 PolarHBondContact O-N 3.22Å; H86-R92 VanDerWaalsContact O-CD 3.24Å; H86-R92 WeakPolarHBondContact O-CD 3.27Å
87L71.6Confident73.9Confident63 Ų6391.7 Ų91.733%0.3345%0.454SS..G310 helixtrans-95.5-8.5171-56.2-176.3000112.4Y84 N85 I170Y84-L87 HydrophobicContact CD2-CD1 3.9Å; Y84-L87 HydrophobicContact CG-CD1 4.05Å; Y84-L87 HydrophobicContact CG-CG 4.44Å; Y84-L87 WeakPolarHBondContact O-CA 3.17Å; Y84-L87 WeakPolarHBondContact O-CB 3.49Å; Y84-L87 PolarHBondContact O-N 2.82Å; N85-L87 PolarHBondContact O-N 2.87Å; L87-I170 HydrophobicContact CD1-CD1 4.04Å
88E65.8Low76.1Confident116 Ų11685 Ų8554%0.54242%0.419SS..  trans-68.7144.4179.3-66.4171.4-177.100111.2N85N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 3.04Å; N85-E88 VanDerWaalsContact O-N 3.16Å
89G67.1Low78.7Confident56 Ų5678.9 Ų78.958%0.57740%0.395SS*.SBendtrans90.1142.5-175.300000113.6V91G89-V91 PolarHBondContact O-N 3.29Å
90D80.1Confident81.1Confident108 Ų10869.7 Ų69.758%0.57836%0.363SS*.SBendtrans-65.3-29.8178.2-17235.1000112.2R128 S129D90-R128 WeakPolarHBondContact O-CA 3.31Å; D90-S129 PolarHBondContact O-N 2.9Å
91V92.6Very high83.4Confident60 Ų6067.6 Ų67.636%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-126.1125.3-177.2-1740000110.5G89 E126 R128G89-V91 PolarHBondContact O-N 3.29Å; V91-E126 HydrophobicContact CG1-CG 3.38Å; V91-R128 HydrophobicContact CG1-CG 4.2Å; V91-R128 HydrophobicContact CG2-CG 3.99Å
92R95.3Very high85.4Confident12 Ų1262.2 Ų62.25%0.04532%0.317CS..EExtended strand (participates in β ladder)trans-124.3116.1-177.2-60.3171.3-72.4160.5-6.6110.9H86 R94 I127 E168H86-R92 VanDerWaalsContact O-CD 3.24Å; H86-R92 WeakPolarHBondContact O-CD 3.27Å; R92-R94 HydrophobicContact CB-CG 4.25Å; R92-I127 HydrophobicContact CB-CB 4.38Å; R92-I127 PolarHBondContact N-O 3.01Å; R92-I127 VanDerWaalsContact NH2-CG2 3.33Å; R92-I127 PolarHBondContact O-N 2.96Å; R92-E168 IonicContact CZ-OE2 3.52Å; R92-E168 IonicContact NH1-OE1 3.77Å; R92-E168 IonicContact NH1-OE2 3.29Å; R92-E168 PolarHBondContact NH1-OE2 2.7Å; R92-E168 IonicContact NH2-OE1 3.97Å; R92-E168 IonicContact NH2-OE2 2.78Å; R92-E168 PolarHBondContact NH2-OE2 2.76Å
93L95.8Very high86.7Confident75 Ų7554.1 Ų54.139%0.39329%0.287SS..EExtended strand (participates in β ladder)trans-83.7113.8172.5-62.8-177.9000110.2M125 E126 V140 P220L93-M125 CarbonylContact C-O 3.57Å; L93-M125 WeakPolarHBondContact CA-O 3.24Å; L93-E126 HydrophobicContact CD2-CB 3.95Å; L93-E126 HydrophobicContact CD2-CG 4.07Å; L93-V140 HydrophobicContact CD2-CG2 3.87Å; L93-P220 WeakPolarHBondContact O-CD 3.35Å
94R96.5Very high88.1Confident37 Ų3750.1 Ų50.114%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-144.4158.6-174.3-58.5-66.3179.3-94.80.1111.6R92 M125 I127 P217 M218R92-R94 HydrophobicContact CB-CG 4.25Å; R94-M125 PolarHBondContact N-O 3.23Å; R94-M125 WeakPolarHBondContact O-CA 3.26Å; R94-M125 WeakPolarHBondContact O-CB 3.29Å; R94-M125 PolarHBondContact O-N 2.95Å; R94-M125 VanDerWaalsContact O-O 3.1Å; R94-I127 HydrophobicContact CB-CD1 4.11Å; R94-I127 HydrophobicContact CG-CD1 4.3Å; R94-P217 HydrophobicContact CB-CB 4.18Å; R94-P217 HydrophobicContact CG-CB 4.1Å; R94-M218 CarbonylContact C-O 3.59Å; R94-M218 WeakPolarHBondContact CA-O 3.26Å; R94-M218 WeakPolarHBondContact CB-O 3.14Å; R94-M218 WeakPolarHBondContact CD-O 3.43Å
95R97.4Very high89.5Confident23 Ų2347.2 Ų47.29%0.08725%0.249CC..EExtended strand (participates in β ladder)trans-102.6127.3163.4-64.2-176.3172.6110.33.1108.4Y97 F103 K118 L124 M218 P220 S221R95-Y97 PolarHBondContact O-N 3.26Å; R95-F103 HydrophobicContact CB-CD1 3.76Å; R95-F103 HydrophobicContact CB-CE1 4.05Å; R95-K118 VanDerWaalsContact CD-O 3.28Å; R95-K118 WeakPolarHBondContact CD-O 3.47Å; R95-K118 PolarHBondContact NE-O 2.86Å; R95-K118 VanDerWaalsContact NE-O 3.09Å; R95-L124 HydrophobicContact CG-CD1 4.39Å; R95-M218 PolarHBondContact N-O 3.07Å; R95-M218 PolarHBondContact O-N 3.44Å; R95-P220 VanDerWaalsContact NH1-CA 3.27Å; R95-S221 PolarHBondContact NH1-O 3.36Å
96L98.1Very high90.8Very high1 Ų142 Ų421%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-86.998-179.9-68.2176.3000110.2F103 L104 M125 I127 I137 Y178 F215 P217L96-F103 WeakPolarHBondContact O-CA 3.26Å; L96-L104 HydrophobicContact CB-CB 4.1Å; L96-L104 HydrophobicContact CD1-CD2 3.98Å; L96-L104 PolarHBondContact O-N 3.21Å; L96-M125 HydrophobicContact CD1-CG 4.43Å; L96-I127 HydrophobicContact CD2-CD1 3.89Å; L96-I137 HydrophobicContact CD1-CD1 4.05Å; L96-I137 HydrophobicContact CD1-CG2 4.09Å; L96-Y178 HydrophobicContact CD1-CE2 4.38Å; L96-Y178 HydrophobicContact CD2-CE2 3.96Å; L96-F215 HydrophobicContact CB-CB 4.49Å; L96-F215 HydrophobicContact CB-CD1 4.13Å; L96-P217 HydrophobicContact CD2-CB 4.28Å; L96-P217 HydrophobicContact CD2-CG 4.22Å
97Y98.1Very high92.3Very high51 Ų5140.8 Ų40.820%0.222%0.217CC..EExtended strand (participates in β ladder)trans-89.3109.7-178.6-173.8-115.6000111.4R95 K101 F103 F215 L216 M218R95-Y97 PolarHBondContact O-N 3.26Å; Y97-K101 HydrophobicContact CE1-CD 4.05Å; Y97-K101 WeakPolarHBondContact OH-CA 3.31Å; Y97-K101 WeakPolarHBondContact OH-CB 3.44Å; Y97-K101 WeakPolarHBondContact OH-CD 3.39Å; Y97-F103 AromaticContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD2 4.24Å; Y97-F103 AromaticContact CD2-CE1 3.52Å; Y97-F103 HydrophobicContact CD2-CE1 3.52Å; Y97-F103 AromaticContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CG 4.14Å; Y97-F103 AromaticContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CE2-CE1 4.4Å; Y97-F103 HydrophobicContact CE2-CE2 4.17Å; Y97-F103 HydrophobicContact CE2-CZ 4.07Å; Y97-F103 HydrophobicContact CG-CD1 4.36Å; Y97-F103 HydrophobicContact CG-CE1 4.01Å; Y97-F103 HydrophobicContact CG-CZ 4.42Å; Y97-F215 CarbonylContact O-C 3.52Å; Y97-F215 WeakPolarHBondContact O-CA 3.13Å; Y97-L216 PolarHBondContact N-O 3.43Å; Y97-L216 PolarHBondContact O-N 3.15Å; Y97-M218 VanDerWaalsContact CB-SD 3.53Å; Y97-M218 HydrophobicContact CD1-SD 4.08Å; Y97-M218 HydrophobicContact CG-SD 3.82Å
98S98.3Very high93.6Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-65.7146.6177.8-177.80000111.7N100 K101 F102 H214S98-N100 PolarHBondContact O-N 3.43Å; S98-N100 VanDerWaalsContact O-N 3.07Å; S98-N100 PolarHBondContact OG-N 2.81Å; S98-K101 WeakPolarHBondContact O-CA 3.43Å; S98-K101 PolarHBondContact O-N 3.09Å; S98-F102 WeakPolarHBondContact CB-O 3.45Å; S98-F102 PolarHBondContact N-O 2.9Å; S98-H214 CarbonylContact C-O 3.51Å; S98-H214 VanDerWaalsContact CA-O 3.3Å; S98-H214 WeakPolarHBondContact CA-O 3.29Å
99A97.9Very high95.1Very high22 Ų2246.4 Ų46.418%0.18225%0.248CC..THydrogen-bonded Turntrans-54.5-26.4169.200000112.8K101 Y175 P211 H214A99-K101 PolarHBondContact O-N 3.45Å; A99-K101 VanDerWaalsContact O-N 3.16Å; A99-Y175 HydrophobicContact CB-CD1 4.39Å; A99-Y175 HydrophobicContact CB-CE1 3.96Å; A99-P211 HydrophobicContact CB-CB 4.22Å; A99-H214 HydrophobicContact CB-CB 3.86Å; A99-H214 PolarHBondContact N-O 3.09Å
100N97.8Very high96.5Very high39 Ų3944.2 Ų44.221%0.20923%0.225CC..THydrogen-bonded Turntrans-75.710.3172.9-71-22.2000114.3S98 F102 L194 N195S98-N100 PolarHBondContact O-N 3.43Å; S98-N100 VanDerWaalsContact O-N 3.07Å; S98-N100 PolarHBondContact OG-N 2.81Å; N100-F102 HydrophobicContact CB-CD2 4.17Å; N100-F102 WeakPolarHBondContact O-CD2 3.37Å; N100-F102 WeakPolarHBondContact O-CE2 3.47Å; N100-L194 PolarHBondContact ND2-O 3.09Å; N100-N195 VanDerWaalsContact ND2-C 3.29Å; N100-N195 PolarHBondContact ND2-O 3.15Å
101K97.8Very high97.4Very high107 Ų10744.5 Ų44.547%0.46522%0.221SC..SBendtrans69.240174.2-44.7-65.2177.3174.70114.4Y97 S98 A99 R116Y97-K101 HydrophobicContact CE1-CD 4.05Å; Y97-K101 WeakPolarHBondContact OH-CA 3.31Å; Y97-K101 WeakPolarHBondContact OH-CB 3.44Å; Y97-K101 WeakPolarHBondContact OH-CD 3.39Å; S98-K101 WeakPolarHBondContact O-CA 3.43Å; S98-K101 PolarHBondContact O-N 3.09Å; A99-K101 PolarHBondContact O-N 3.45Å; A99-K101 VanDerWaalsContact O-N 3.16Å; K101-R116 PolarHBondContact O-NH1 3.24Å
102F98.4Very high97.7Very high15 Ų1541.7 Ų41.77%0.06620%0.204CC..  trans-132.2141174.9-63.8-88.7000110.9S98 N100 T115 R116 L194 G196 G198S98-F102 WeakPolarHBondContact CB-O 3.45Å; S98-F102 PolarHBondContact N-O 2.9Å; N100-F102 HydrophobicContact CB-CD2 4.17Å; N100-F102 WeakPolarHBondContact O-CD2 3.37Å; N100-F102 WeakPolarHBondContact O-CE2 3.47Å; F102-T115 CarbonylContact C-O 3.49Å; F102-T115 WeakPolarHBondContact CA-O 3.19Å; F102-R116 HydrophobicContact CD1-CG 3.74Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-R116 VanDerWaalsContact CZ-NH2 3.31Å; F102-L194 HydrophobicContact CB-CD1 4.06Å; F102-G196 WeakPolarHBondContact CE2-O 3.46Å; F102-G198 VanDerWaalsContact CE2-N 3.27Å
103F98.4Very high97.8Very high15 Ų1542.3 Ų42.37%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-80.7131.1164.9-60.7-77.4000109.8R95 L96 Y97 C105 G114 T115 K118 M218R95-F103 HydrophobicContact CB-CD1 3.76Å; R95-F103 HydrophobicContact CB-CE1 4.05Å; L96-F103 WeakPolarHBondContact O-CA 3.26Å; Y97-F103 AromaticContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD2 4.24Å; Y97-F103 AromaticContact CD2-CE1 3.52Å; Y97-F103 HydrophobicContact CD2-CE1 3.52Å; Y97-F103 AromaticContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CG 4.14Å; Y97-F103 AromaticContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CE2-CE1 4.4Å; Y97-F103 HydrophobicContact CE2-CE2 4.17Å; Y97-F103 HydrophobicContact CE2-CZ 4.07Å; Y97-F103 HydrophobicContact CG-CD1 4.36Å; Y97-F103 HydrophobicContact CG-CE1 4.01Å; Y97-F103 HydrophobicContact CG-CZ 4.42Å; F103-C105 PolarHBondContact O-N 2.95Å; F103-G114 CarbonylContact O-C 3.51Å; F103-G114 WeakPolarHBondContact O-CA 3.49Å; F103-T115 HydrophobicContact CB-CG2 4.04Å; F103-T115 PolarHBondContact N-O 2.96Å; F103-T115 PolarHBondContact O-N 3.39Å; F103-K118 HydrophobicContact CE2-CB 4.32Å; F103-K118 HydrophobicContact CE2-CG 4.42Å; F103-K118 HydrophobicContact CZ-CG 4.25Å; F103-M218 HydrophobicContact CE1-SD 3.94Å; F103-M218 HydrophobicContact CZ-SD 4.41Å
104L98.6Very high97.9Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-62.7132.9170.3-17272000109.5L96 V112 S123 M125 L146 L194 F215L96-L104 HydrophobicContact CB-CB 4.1Å; L96-L104 HydrophobicContact CD1-CD2 3.98Å; L96-L104 PolarHBondContact O-N 3.21Å; L104-V112 HydrophobicContact CD1-CG1 3.56Å; L104-V112 HydrophobicContact CG-CG1 4.4Å; L104-S123 WeakPolarHBondContact O-CA 3.27Å; L104-S123 WeakPolarHBondContact O-CB 3.46Å; L104-M125 HydrophobicContact CG-CE 4.46Å; L104-M125 WeakPolarHBondContact O-CE 3.31Å; L104-L146 HydrophobicContact CD2-CD1 4.46Å; L104-L146 HydrophobicContact CD2-CD2 3.89Å; L104-L194 HydrophobicContact CD1-CD1 4.15Å; L104-L194 HydrophobicContact CD1-CD2 3.91Å; L104-L194 HydrophobicContact CD1-CG 4.21Å; L104-F215 HydrophobicContact CB-CE1 4.41Å
105C97.9Very high98Very high11 Ų1138.6 Ų38.67%0.07420%0.196CC..EExtended strand (participates in β ladder)trans-133.2154.6172.460.20000112.1F103 V112 D113 T115 Y120 D122F103-C105 PolarHBondContact O-N 2.95Å; C105-V112 WeakPolarHBondContact O-CA 3.42Å; C105-D113 PolarHBondContact N-O 3.16Å; C105-D113 PolarHBondContact O-N 3.46Å; C105-D113 PolarHBondContact SG-O 3.12Å; C105-T115 HydrophobicContact CB-CG2 4.33Å; C105-Y120 HydrophobicContact CB-CD1 4.18Å; C105-Y120 HydrophobicContact CB-CE1 4.37Å; C105-D122 WeakPolarHBondContact CA-O 3.36Å; C105-D122 HydrophobicContact CB-CB 4.22Å; C105-D122 VanDerWaalsContact CB-O 3.25Å; C105-D122 WeakPolarHBondContact CB-O 3.37Å
106I98.5Very high98Very high0 Ų045.1 Ų45.10%022%0.22CC..EExtended strand (participates in β ladder)trans-127.5113175.2-48.8178.7000107.5K111 V112 D122 M125 T142 L144 L146I106-K111 WeakPolarHBondContact CA-O 3.27Å; I106-V112 HydrophobicContact CG1-CG2 4.28Å; I106-D122 PolarHBondContact N-O 3.15Å; I106-D122 VanDerWaalsContact N-O 3.15Å; I106-M125 HydrophobicContact CD1-CE 4.49Å; I106-M125 HydrophobicContact CD1-SD 4.4Å; I106-M125 HydrophobicContact CG1-CE 4.05Å; I106-T142 VanDerWaalsContact O-CG2 3.26Å; I106-T142 WeakPolarHBondContact O-CG2 3.07Å; I106-T142 PolarHBondContact O-OG1 2.99Å; I106-L144 HydrophobicContact CG2-CB 4.08Å; I106-L144 HydrophobicContact CG2-CD1 4.06Å; I106-L146 HydrophobicContact CD1-CB 3.97Å; I106-L146 HydrophobicContact CD1-CD1 4.2Å
107D97.1Very high97.8Very high45 Ų4553.4 Ų53.424%0.24125%0.252CS..  trans-75171.3179.775.414.3000112.2T109 G110 K111 L144D107-T109 PolarHBondContact O-N 3.44Å; D107-T109 VanDerWaalsContact OD1-CA 3.29Å; D107-T109 WeakPolarHBondContact OD1-CA 3.34Å; D107-T109 WeakPolarHBondContact OD1-CB 3.45Å; D107-T109 PolarHBondContact OD1-N 3.47Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å; D107-T109 VanDerWaalsContact OD2-OG1 3.11Å; D107-G110 PolarHBondContact O-N 3.15Å; D107-G110 PolarHBondContact OD1-N 3.37Å; D107-K111 PolarHBondContact N-O 3.38Å; D107-K111 WeakPolarHBondContact OD1-CB 3.5Å; D107-K111 PolarHBondContact OD1-N 2.83Å; D107-K111 VanDerWaalsContact OD2-CB 3.3Å; D107-K111 WeakPolarHBondContact OD2-CB 3.21Å; D107-L144 WeakPolarHBondContact O-CD1 3.38Å
108K97.6Very high97.4Very high179 Ų17956.5 Ų56.578%0.77827%0.266SS*.THydrogen-bonded Turntrans-63-21179.1-62.6-178.4-178-177.70113.4G110 T142K108-G110 VanDerWaalsContact C-N 3.27Å; K108-T142 HydrophobicContact CG-CG2 3.92Å
109T97.8Very high96.9Very high119 Ų11961.7 Ų61.773%0.7329%0.294SS*.THydrogen-bonded Turntrans-81.4-10.1176.878.70000112.4D107D107-T109 PolarHBondContact O-N 3.44Å; D107-T109 VanDerWaalsContact OD1-CA 3.29Å; D107-T109 WeakPolarHBondContact OD1-CA 3.34Å; D107-T109 WeakPolarHBondContact OD1-CB 3.45Å; D107-T109 PolarHBondContact OD1-N 3.47Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å; D107-T109 VanDerWaalsContact OD2-OG1 3.11Å
110G97.8Very high96.7Very high10 Ų1064.6 Ų64.610%0.10330%0.301CS..SBendtrans84.313-173.600000113.6D107 K108 F155 G156D107-G110 PolarHBondContact O-N 3.15Å; D107-G110 PolarHBondContact OD1-N 3.37Å; K108-G110 VanDerWaalsContact C-N 3.27Å; G110-F155 CarbonylContact O-C 3.59Å; G110-F155 WeakPolarHBondContact O-CA 3.26Å; G110-G156 PolarHBondContact O-N 3.29Å
111K98.1Very high96.5Very high113 Ų11365.7 Ų65.749%0.49132%0.315SS..  trans-78.6133.3170.5-175.6-172.1173.5-1730109.3I106 D107 D113I106-K111 WeakPolarHBondContact CA-O 3.27Å; D107-K111 PolarHBondContact N-O 3.38Å; D107-K111 WeakPolarHBondContact OD1-CB 3.5Å; D107-K111 PolarHBondContact OD1-N 2.83Å; D107-K111 VanDerWaalsContact OD2-CB 3.3Å; D107-K111 WeakPolarHBondContact OD2-CB 3.21Å; K111-D113 IonicContact NZ-OD2 3.7Å
112V98.6Very high96.4Very high2 Ų261.7 Ų61.71%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-95.2131.6174.8-179.80000108.7L104 C105 I106 L146 L154 P200L104-V112 HydrophobicContact CD1-CG1 3.56Å; L104-V112 HydrophobicContact CG-CG1 4.4Å; C105-V112 WeakPolarHBondContact O-CA 3.42Å; I106-V112 HydrophobicContact CG1-CG2 4.28Å; V112-L146 HydrophobicContact CG1-CD1 4.09Å; V112-L146 HydrophobicContact CG2-CD1 3.76Å; V112-L154 HydrophobicContact CB-CB 4.05Å; V112-L154 HydrophobicContact CG1-CB 4.17Å; V112-L154 HydrophobicContact CG1-CD1 4.3Å; V112-L154 HydrophobicContact CG2-CB 4.1Å; V112-P200 WeakPolarHBondContact O-CD 3.36Å; V112-P200 VanDerWaalsContact O-CG 3.28Å; V112-P200 WeakPolarHBondContact O-CG 3.4Å
113D98.2Very high96.3Very high24 Ų2461 Ų6113%0.12830%0.295CS..EExtended strand (participates in β ladder)trans-146.4-179.5-179.8-142.8-35.2000111C105 K111 K199C105-D113 PolarHBondContact N-O 3.16Å; C105-D113 PolarHBondContact O-N 3.46Å; C105-D113 PolarHBondContact SG-O 3.12Å; K111-D113 IonicContact NZ-OD2 3.7Å; D113-K199 WeakPolarHBondContact OD1-CD 3.26Å; D113-K199 IonicContact OD1-NZ 2.92Å; D113-K199 PolarHBondContact OD1-NZ 2.83Å; D113-K199 IonicContact OD2-NZ 3.71Å; D113-K199 PolarHBondContact OD2-NZ 2.85Å
114G98.2Very high96.3Very high14 Ų1461.9 Ų61.914%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-118.9134173.800000111F103 G198F103-G114 CarbonylContact O-C 3.51Å; F103-G114 WeakPolarHBondContact O-CA 3.49Å; G114-G198 VanDerWaalsContact CA-O 3.23Å; G114-G198 WeakPolarHBondContact CA-O 3.25Å; G114-G198 PolarHBondContact N-O 3.15Å
115T97.6Very high96.3Very high21 Ų2161.9 Ų61.913%0.12930%0.301CS..EExtended strand (participates in β ladder)trans-120.9148.9176.3-174.20000111.5F102 F103 C105 R117 Y120F102-T115 CarbonylContact C-O 3.49Å; F102-T115 WeakPolarHBondContact CA-O 3.19Å; F103-T115 HydrophobicContact CB-CG2 4.04Å; F103-T115 PolarHBondContact N-O 2.96Å; F103-T115 PolarHBondContact O-N 3.39Å; C105-T115 HydrophobicContact CB-CG2 4.33Å; T115-R117 PolarHBondContact OG1-N 2.87Å; T115-Y120 HydrophobicContact CG2-CD1 3.83Å; T115-Y120 HydrophobicContact CG2-CG 4.21Å
116R96.9Very high96.3Very high159 Ų15962.9 Ų62.960%0.631%0.305SS*.  trans-90.3-10.1171.5-64.2-175.7-179.1-83.47.2112.6K101 F102 K118K101-R116 PolarHBondContact O-NH1 3.24Å; F102-R116 HydrophobicContact CD1-CG 3.74Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-R116 VanDerWaalsContact CZ-NH2 3.31Å; R116-K118 PolarHBondContact O-N 3.37Å
117R95.1Very high96.2Very high176 Ų17662.9 Ų62.966%0.66431%0.305SS*.  trans-72.7118.9-178.3-64.9-178.8-178.2-172.8-1.1109.8T115 N119T115-R117 PolarHBondContact OG1-N 2.87Å; R117-N119 PolarHBondContact O-N 2.96Å
118K88.1Confident96.2Very high115 Ų11566 Ų6650%0.531%0.313SS..THydrogen-bonded Turntrans-62.9-42.7-176.3-166.3-176.2-177.1-1630112.8R95 F103 R116 S221R95-K118 VanDerWaalsContact CD-O 3.28Å; R95-K118 WeakPolarHBondContact CD-O 3.47Å; R95-K118 PolarHBondContact NE-O 2.86Å; R95-K118 VanDerWaalsContact NE-O 3.09Å; F103-K118 HydrophobicContact CE2-CB 4.32Å; F103-K118 HydrophobicContact CE2-CG 4.42Å; F103-K118 HydrophobicContact CZ-CG 4.25Å; R116-K118 PolarHBondContact O-N 3.37Å; K118-S221 WeakPolarHBondContact CE-OG 3.48Å; K118-S221 PolarHBondContact NZ-OG 3.23Å
119N88.7Confident96.1Very high109 Ų10960 Ų6058%0.58329%0.294SS*.THydrogen-bonded Turntrans-105.833.9-174.5-62.3-9.8000112.2R117 A121R117-N119 PolarHBondContact O-N 2.96Å; N119-A121 PolarHBondContact O-N 3.38Å
120Y93.8Very high95.9Very high84 Ų8457 Ų5733%0.32928%0.275SS..  trans-72.9125.2175.4-161.2-127.8000109.9C105 T115 D122 S123C105-Y120 HydrophobicContact CB-CD1 4.18Å; C105-Y120 HydrophobicContact CB-CE1 4.37Å; T115-Y120 HydrophobicContact CG2-CD1 3.83Å; T115-Y120 HydrophobicContact CG2-CG 4.21Å; Y120-D122 HydrophobicContact CD1-CB 3.94Å; Y120-D122 HydrophobicContact CE1-CB 3.75Å; Y120-D122 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-OG 3.37Å
121A93.4Very high95.7Very high62 Ų6259.6 Ų59.651%0.51229%0.292SS..G310 helixtrans-56-41.6-175.900000112.1N119 S123 L124 S141N119-A121 PolarHBondContact O-N 3.38Å; A121-S123 PolarHBondContact O-N 2.81Å; A121-S123 VanDerWaalsContact O-N 3.15Å; A121-L124 PolarHBondContact O-N 3.45Å; A121-S141 PolarHBondContact O-OG 2.94Å
122D95.8Very high95.4Very high22 Ų2261.4 Ų61.412%0.11831%0.312CS..G310 helixtrans-74.5-0.6-177.6-59-14.2000114.6C105 I106 Y120 M125 S141C105-D122 WeakPolarHBondContact CA-O 3.36Å; C105-D122 HydrophobicContact CB-CB 4.22Å; C105-D122 VanDerWaalsContact CB-O 3.25Å; C105-D122 WeakPolarHBondContact CB-O 3.37Å; I106-D122 PolarHBondContact N-O 3.15Å; I106-D122 VanDerWaalsContact N-O 3.15Å; Y120-D122 HydrophobicContact CD1-CB 3.94Å; Y120-D122 HydrophobicContact CE1-CB 3.75Å; Y120-D122 PolarHBondContact O-N 3.08Å; D122-M125 WeakPolarHBondContact O-CE 3.41Å; D122-S141 VanDerWaalsContact CA-OG 3.26Å; D122-S141 WeakPolarHBondContact CA-OG 3.24Å; D122-S141 WeakPolarHBondContact OD1-CB 3.34Å; D122-S141 PolarHBondContact OD1-OG 2.93Å
123S97.2Very high95.2Very high0 Ų063.3 Ų63.30%033%0.332CS..G310 helixtrans-99.8-4.9174.976.40000114.3L104 Y120 A121 M125L104-S123 WeakPolarHBondContact O-CA 3.27Å; L104-S123 WeakPolarHBondContact O-CB 3.46Å; Y120-S123 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-OG 3.37Å; A121-S123 PolarHBondContact O-N 2.81Å; A121-S123 VanDerWaalsContact O-N 3.15Å; S123-M125 PolarHBondContact O-N 2.8Å
124L97.6Very high95.1Very high34 Ų3462.7 Ų62.718%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-80.2118.5174.6-174.862.3000110.2R95 A121 V140 P220R95-L124 HydrophobicContact CG-CD1 4.39Å; A121-L124 PolarHBondContact O-N 3.45Å; L124-V140 HydrophobicContact CB-CB 4.45Å; L124-V140 HydrophobicContact CD2-CB 4.16Å; L124-V140 HydrophobicContact CD2-CG1 4.29Å; L124-V140 HydrophobicContact CD2-CG2 4.18Å; L124-V140 HydrophobicContact CG-CB 4.17Å; L124-V140 HydrophobicContact CG-CG2 3.92Å; L124-V140 PolarHBondContact O-N 2.78Å; L124-P220 HydrophobicContact CD1-CB 3.87Å; L124-P220 HydrophobicContact CD1-CG 4.22Å
125M98Very high95.1Very high0 Ų062.1 Ų62.10%032%0.323CS..EExtended strand (participates in β ladder)trans-112.8135.8-176.4-56.2-64163.400110.8L93 R94 L96 L104 I106 D122 S123 I137 K138L93-M125 CarbonylContact C-O 3.57Å; L93-M125 WeakPolarHBondContact CA-O 3.24Å; R94-M125 PolarHBondContact N-O 3.23Å; R94-M125 WeakPolarHBondContact O-CA 3.26Å; R94-M125 WeakPolarHBondContact O-CB 3.29Å; R94-M125 PolarHBondContact O-N 2.95Å; R94-M125 VanDerWaalsContact O-O 3.1Å; L96-M125 HydrophobicContact CD1-CG 4.43Å; L104-M125 HydrophobicContact CG-CE 4.46Å; L104-M125 WeakPolarHBondContact O-CE 3.31Å; I106-M125 HydrophobicContact CD1-CE 4.49Å; I106-M125 HydrophobicContact CD1-SD 4.4Å; I106-M125 HydrophobicContact CG1-CE 4.05Å; D122-M125 WeakPolarHBondContact O-CE 3.41Å; S123-M125 PolarHBondContact O-N 2.8Å; M125-I137 HydrophobicContact CB-CG2 3.92Å; M125-I137 HydrophobicContact CG-CG2 4.15Å; M125-I137 HydrophobicContact SD-CG2 4.26Å; M125-K138 CarbonylContact C-O 3.52Å; M125-K138 WeakPolarHBondContact CA-O 3.4Å
126E97.7Very high95.2Very high33 Ų3361.4 Ų61.415%0.15432%0.319CS..EExtended strand (participates in β ladder)trans-91.3115163-172.1-168.576.400108.3V91 L93 R128 I137 K138 V140V91-E126 HydrophobicContact CG1-CG 3.38Å; L93-E126 HydrophobicContact CD2-CB 3.95Å; L93-E126 HydrophobicContact CD2-CG 4.07Å; E126-R128 VanDerWaalsContact CD-NE 3.26Å; E126-R128 HydrophobicContact CG-CG 4.19Å; E126-R128 IonicContact OE1-CZ 2.63Å; E126-R128 IonicContact OE1-NE 2.7Å; E126-R128 PolarHBondContact OE1-NE 2.87Å; E126-R128 IonicContact OE1-NH2 2.82Å; E126-R128 PolarHBondContact OE1-NH2 2.91Å; E126-R128 IonicContact OE2-CZ 3.36Å; E126-R128 IonicContact OE2-NE 3.59Å; E126-R128 IonicContact OE2-NH2 3.23Å; E126-R128 PolarHBondContact OE2-NH2 2.99Å; E126-I137 WeakPolarHBondContact O-CA 3.48Å; E126-K138 HydrophobicContact CB-CB 4.44Å; E126-K138 PolarHBondContact N-O 2.83Å; E126-K138 PolarHBondContact O-N 2.81Å; E126-V140 HydrophobicContact CB-CG2 4.01Å
127I97.9Very high95.2Very high0 Ų053.9 Ų53.90%029%0.291CS..EExtended strand (participates in β ladder)trans-102.1114.2176.1-52.5174.5000107.4R92 R94 L96 V135 A136 I137R92-I127 HydrophobicContact CB-CB 4.38Å; R92-I127 PolarHBondContact N-O 3.01Å; R92-I127 VanDerWaalsContact NH2-CG2 3.33Å; R92-I127 PolarHBondContact O-N 2.96Å; R94-I127 HydrophobicContact CB-CD1 4.11Å; R94-I127 HydrophobicContact CG-CD1 4.3Å; L96-I127 HydrophobicContact CD2-CD1 3.89Å; I127-V135 HydrophobicContact CG2-CB 3.84Å; I127-V135 HydrophobicContact CG2-CG1 3.89Å; I127-V135 HydrophobicContact CG2-CG2 4.24Å; I127-A136 WeakPolarHBondContact CA-O 3.07Å; I127-I137 HydrophobicContact CG1-CG2 4.4Å; I127-I137 HydrophobicContact CG2-CG1 4.44Å
128R96.6Very high95.4Very high109 Ų10948.2 Ų48.241%0.41127%0.271SS..EExtended strand (participates in β ladder)trans-106.6137.4176.4-62.1-159.8-177.5-155.2-7.2111.4D90 V91 E126 V135 A136D90-R128 WeakPolarHBondContact O-CA 3.31Å; V91-R128 HydrophobicContact CG1-CG 4.2Å; V91-R128 HydrophobicContact CG2-CG 3.99Å; E126-R128 VanDerWaalsContact CD-NE 3.26Å; E126-R128 HydrophobicContact CG-CG 4.19Å; E126-R128 IonicContact OE1-CZ 2.63Å; E126-R128 IonicContact OE1-NE 2.7Å; E126-R128 PolarHBondContact OE1-NE 2.87Å; E126-R128 IonicContact OE1-NH2 2.82Å; E126-R128 PolarHBondContact OE1-NH2 2.91Å; E126-R128 IonicContact OE2-CZ 3.36Å; E126-R128 IonicContact OE2-NE 3.59Å; E126-R128 IonicContact OE2-NH2 3.23Å; E126-R128 PolarHBondContact OE2-NH2 2.99Å; R128-V135 CarbonylContact O-C 3.48Å; R128-V135 WeakPolarHBondContact O-CA 3.44Å; R128-V135 WeakPolarHBondContact O-CB 3.44Å; R128-A136 PolarHBondContact N-O 3.47Å; R128-A136 PolarHBondContact O-N 3.38Å
129S94.9Very high95.9Very high55 Ų5542.8 Ų42.839%0.38525%0.247SC..EExtended strand (participates in β ladder)trans-69.6135168.2-164.70000109.6D90D90-S129 PolarHBondContact O-N 2.9Å
130V94.7Very high96.3Very high56 Ų5640.9 Ų40.934%0.33924%0.24SC..EExtended strand (participates in β ladder)trans-108.9-39.3175.2177.20000110V134 A136 Y160 K165V130-V134 HydrophobicContact CB-CG1 4.27Å; V130-V134 PolarHBondContact N-O 3.04Å; V130-A136 HydrophobicContact CG2-CB 3.76Å; V130-Y160 WeakPolarHBondContact CG1-OH 3.32Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.3Å; V130-K165 HydrophobicContact CG1-CD 4.31Å
131S93.4Very high96.5Very high64 Ų6439.5 Ų39.545%0.44824%0.242SC..EExtended strand (participates in β ladder)trans-160.3174.5172.667.20000107.8G133 V134S131-G133 PolarHBondContact O-N 3.5Å; S131-V134 PolarHBondContact N-O 3.01Å; S131-V134 PolarHBondContact O-N 3.32Å; S131-V134 VanDerWaalsContact O-O 3.06Å; S131-V134 WeakPolarHBondContact OG-CB 3.11Å; S131-V134 WeakPolarHBondContact OG-CG2 3.37Å
132V91.5Very high96.7Very high150 Ų15038 Ų3891%0.90923%0.227SC*.THydrogen-bonded Turntrans-51.3117.9179.9-1770000111.3V134V132-V134 PolarHBondContact O-N 3.03Å
133G93.3Very high96.8Very high43 Ų4338.2 Ų38.244%0.44323%0.234SC..THydrogen-bonded Turntrans69.411.6-179.900000115.7S131 K167 E168S131-G133 PolarHBondContact O-N 3.5Å; G133-K167 CarbonylContact O-C 3.55Å; G133-K167 VanDerWaalsContact O-CA 3.31Å; G133-K167 WeakPolarHBondContact O-CA 3.39Å; G133-E168 PolarHBondContact O-N 3.35Å
134V97.3Very high96.8Very high10 Ų1039 Ų396%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-123.1130.1177.5-179.10000110.1V130 S131 V132 K165 F166 K167 L181V130-V134 HydrophobicContact CB-CG1 4.27Å; V130-V134 PolarHBondContact N-O 3.04Å; S131-V134 PolarHBondContact N-O 3.01Å; S131-V134 PolarHBondContact O-N 3.32Å; S131-V134 VanDerWaalsContact O-O 3.06Å; S131-V134 WeakPolarHBondContact OG-CB 3.11Å; S131-V134 WeakPolarHBondContact OG-CG2 3.37Å; V132-V134 PolarHBondContact O-N 3.03Å; V134-K165 HydrophobicContact CG1-CB 3.99Å; V134-F166 CarbonylContact C-O 3.47Å; V134-F166 VanDerWaalsContact CA-O 3.27Å; V134-F166 WeakPolarHBondContact CA-O 3.47Å; V134-K167 HydrophobicContact CG2-CG 4.41Å; V134-L181 HydrophobicContact CG1-CD2 3.94Å; V134-L181 HydrophobicContact CG2-CD1 4.32Å; V134-L181 HydrophobicContact CG2-CD2 4.32Å
135V98.1Very high96.9Very high3 Ų339.6 Ų39.62%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-122.4154.9-177.9-59.50000112.4I127 R128 I137 F166 E168 Y178I127-V135 HydrophobicContact CG2-CB 3.84Å; I127-V135 HydrophobicContact CG2-CG1 3.89Å; I127-V135 HydrophobicContact CG2-CG2 4.24Å; R128-V135 CarbonylContact O-C 3.48Å; R128-V135 WeakPolarHBondContact O-CA 3.44Å; R128-V135 WeakPolarHBondContact O-CB 3.44Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; V135-I137 HydrophobicContact CG2-CG1 4.01Å; V135-F166 HydrophobicContact CG2-CB 4.29Å; V135-F166 PolarHBondContact N-O 2.82Å; V135-F166 PolarHBondContact O-N 3.07Å; V135-E168 HydrophobicContact CG1-CB 4.04Å; V135-E168 WeakPolarHBondContact CG1-OE2 3.48Å; V135-E168 HydrophobicContact CG2-CB 4.13Å; V135-Y178 HydrophobicContact CG2-CD1 3.96Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å
136A98.4Very high96.9Very high6 Ų639.6 Ų39.65%0.0524%0.238CC..EExtended strand (participates in β ladder)trans-107.3138.9158.900000108.3I127 R128 V130 Y160I127-A136 WeakPolarHBondContact CA-O 3.07Å; R128-A136 PolarHBondContact N-O 3.47Å; R128-A136 PolarHBondContact O-N 3.38Å; V130-A136 HydrophobicContact CG2-CB 3.76Å; A136-Y160 HydrophobicContact CB-CD2 4.44Å; A136-Y160 HydrophobicContact CB-CE2 3.7Å
137I98.7Very high97Very high0 Ų038 Ų380%023%0.231CC..EExtended strand (participates in β ladder)trans-121.1124.9-178.2-52.3176000107.1L96 M125 E126 I127 V135 Y145 L146 F166 Y178L96-I137 HydrophobicContact CD1-CD1 4.05Å; L96-I137 HydrophobicContact CD1-CG2 4.09Å; M125-I137 HydrophobicContact CB-CG2 3.92Å; M125-I137 HydrophobicContact CG-CG2 4.15Å; M125-I137 HydrophobicContact SD-CG2 4.26Å; E126-I137 WeakPolarHBondContact O-CA 3.48Å; I127-I137 HydrophobicContact CG1-CG2 4.4Å; I127-I137 HydrophobicContact CG2-CG1 4.44Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; V135-I137 HydrophobicContact CG2-CG1 4.01Å; I137-Y145 CarbonylContact O-C 3.57Å; I137-Y145 WeakPolarHBondContact O-CA 3.49Å; I137-L146 HydrophobicContact CB-CB 4.12Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 4.19Å; I137-L146 PolarHBondContact O-N 3.45Å; I137-F166 HydrophobicContact CD1-CD2 4.44Å; I137-Y178 HydrophobicContact CD1-CD1 3.86Å; I137-Y178 HydrophobicContact CD1-CE1 3.98Å; I137-Y178 HydrophobicContact CD1-CG 4.21Å
138K98.5Very high97Very high58 Ų5838 Ų3825%0.25223%0.231SC..EExtended strand (participates in β ladder)trans-127.3133.3-176.5-171.9-173.4-179.5-173.10109.7M125 E126 V140 G143 L144 Y145M125-K138 CarbonylContact C-O 3.52Å; M125-K138 WeakPolarHBondContact CA-O 3.4Å; E126-K138 HydrophobicContact CB-CB 4.44Å; E126-K138 PolarHBondContact N-O 2.83Å; E126-K138 PolarHBondContact O-N 2.81Å; K138-V140 PolarHBondContact O-N 2.87Å; K138-G143 WeakPolarHBondContact CE-O 3.48Å; K138-L144 CarbonylContact C-O 3.54Å; K138-L144 WeakPolarHBondContact CA-O 3.33Å; K138-Y145 HydrophobicContact CB-CD1 3.87Å; K138-Y145 HydrophobicContact CB-CE1 3.97Å; K138-Y145 HydrophobicContact CD-CD1 4.41Å; K138-Y145 HydrophobicContact CD-CE1 3.87Å; K138-Y145 HydrophobicContact CD-CE2 4.37Å; K138-Y145 HydrophobicContact CG-CD1 4.09Å; K138-Y145 HydrophobicContact CG-CE1 4.06Å; K138-Y145 HydrophobicContact CG-CG 4.41Å
139S98.2Very high97.1Very high0 Ų034.3 Ų34.30%022%0.222CC..EExtended strand (participates in β ladder)trans-70.3128.5169.5176.30000109.2S141 T142 G143 L144S139-S141 PolarHBondContact OG-OG 2.98Å; S139-T142 VanDerWaalsContact CB-OG1 3.26Å; S139-T142 WeakPolarHBondContact CB-OG1 3.36Å; S139-T142 PolarHBondContact OG-OG1 2.83Å; S139-G143 VanDerWaalsContact O-CA 3.25Å; S139-G143 WeakPolarHBondContact O-CA 3.48Å; S139-G143 PolarHBondContact O-N 3.16Å; S139-L144 PolarHBondContact N-O 3.49Å
140V97.6Very high97.3Very high70 Ų7039.3 Ų39.342%0.42424%0.237SC..THydrogen-bonded Turntrans-68.5-43.7-179.1176.80000110.5L93 L124 E126 K138L93-V140 HydrophobicContact CD2-CG2 3.87Å; L124-V140 HydrophobicContact CB-CB 4.45Å; L124-V140 HydrophobicContact CD2-CB 4.16Å; L124-V140 HydrophobicContact CD2-CG1 4.29Å; L124-V140 HydrophobicContact CD2-CG2 4.18Å; L124-V140 HydrophobicContact CG-CB 4.17Å; L124-V140 HydrophobicContact CG-CG2 3.92Å; L124-V140 PolarHBondContact O-N 2.78Å; E126-V140 HydrophobicContact CB-CG2 4.01Å; K138-V140 PolarHBondContact O-N 2.87Å
141S96.8Very high97.4Very high55 Ų5544.5 Ų44.539%0.38526%0.255SS..THydrogen-bonded Turntrans-70.2-38.7-175.264.70000113.1A121 D122 S139A121-S141 PolarHBondContact O-OG 2.94Å; D122-S141 VanDerWaalsContact CA-OG 3.26Å; D122-S141 WeakPolarHBondContact CA-OG 3.24Å; D122-S141 WeakPolarHBondContact OD1-CB 3.34Å; D122-S141 PolarHBondContact OD1-OG 2.93Å; S139-S141 PolarHBondContact OG-OG 2.98Å
142T97.6Very high97.6Very high30 Ų3041.5 Ų41.518%0.18423%0.234CC..THydrogen-bonded Turntrans-99.7-14.7-175.364.80000113.2I106 K108 S139 L144I106-T142 VanDerWaalsContact O-CG2 3.26Å; I106-T142 WeakPolarHBondContact O-CG2 3.07Å; I106-T142 PolarHBondContact O-OG1 2.99Å; K108-T142 HydrophobicContact CG-CG2 3.92Å; S139-T142 VanDerWaalsContact CB-OG1 3.26Å; S139-T142 WeakPolarHBondContact CB-OG1 3.36Å; S139-T142 PolarHBondContact OG-OG1 2.83Å; T142-L144 PolarHBondContact O-N 3.04Å
143G98.1Very high98Very high27 Ų2737.5 Ų37.528%0.27821%0.21SC..  trans70.25.2-176.100000114.3K138 S139K138-G143 WeakPolarHBondContact CE-O 3.48Å; S139-G143 VanDerWaalsContact O-CA 3.25Å; S139-G143 WeakPolarHBondContact O-CA 3.48Å; S139-G143 PolarHBondContact O-N 3.16Å
144L98.7Very high98.2Very high15 Ų1536 Ų368%0.07919%0.191CC..PPolyproline II helixtrans-85.3136.3-176.7-59.9-179.3000111.5I106 D107 K138 S139 T142 V158I106-L144 HydrophobicContact CG2-CB 4.08Å; I106-L144 HydrophobicContact CG2-CD1 4.06Å; D107-L144 WeakPolarHBondContact O-CD1 3.38Å; K138-L144 CarbonylContact C-O 3.54Å; K138-L144 WeakPolarHBondContact CA-O 3.33Å; S139-L144 PolarHBondContact N-O 3.49Å; T142-L144 PolarHBondContact O-N 3.04Å; L144-V158 HydrophobicContact CD2-CB 4.27Å; L144-V158 HydrophobicContact CD2-CG2 3.57Å
145Y98.8Very high98.3Very high47 Ų4738.9 Ų38.918%0.18420%0.203CC..EExtended strand (participates in β ladder)trans-77.9133.1171-66.4-83.5000110.5I137 K138 A147 G156 S157 Y160I137-Y145 CarbonylContact O-C 3.57Å; I137-Y145 WeakPolarHBondContact O-CA 3.49Å; K138-Y145 HydrophobicContact CB-CD1 3.87Å; K138-Y145 HydrophobicContact CB-CE1 3.97Å; K138-Y145 HydrophobicContact CD-CD1 4.41Å; K138-Y145 HydrophobicContact CD-CE1 3.87Å; K138-Y145 HydrophobicContact CD-CE2 4.37Å; K138-Y145 HydrophobicContact CG-CD1 4.09Å; K138-Y145 HydrophobicContact CG-CE1 4.06Å; K138-Y145 HydrophobicContact CG-CG 4.41Å; Y145-A147 PolarHBondContact O-N 3.35Å; Y145-G156 CarbonylContact O-C 3.51Å; Y145-G156 WeakPolarHBondContact O-CA 3.21Å; Y145-S157 PolarHBondContact N-O 2.78Å; Y145-S157 PolarHBondContact O-N 2.77Å; Y145-Y160 HydrophobicContact CD1-CD2 4.04Å; Y145-Y160 HydrophobicContact CE1-CD2 4.04Å; Y145-Y160 HydrophobicContact CG-CD2 4.4Å
146L98.9Very high98.3Very high0 Ų039.4 Ų39.40%021%0.209CC..EExtended strand (participates in β ladder)trans-60.1129.3164.5-175.764.4000108.6L104 I106 V112 I137 L154 C164 F166 V192L104-L146 HydrophobicContact CD2-CD1 4.46Å; L104-L146 HydrophobicContact CD2-CD2 3.89Å; I106-L146 HydrophobicContact CD1-CB 3.97Å; I106-L146 HydrophobicContact CD1-CD1 4.2Å; V112-L146 HydrophobicContact CG1-CD1 4.09Å; V112-L146 HydrophobicContact CG2-CD1 3.76Å; I137-L146 HydrophobicContact CB-CB 4.12Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 4.19Å; I137-L146 PolarHBondContact O-N 3.45Å; L146-L154 HydrophobicContact CD1-CD2 4.49Å; L146-C164 WeakPolarHBondContact O-CA 3.04Å; L146-F166 HydrophobicContact CB-CE2 4.15Å; L146-F166 HydrophobicContact CD2-CE2 4.06Å; L146-F166 HydrophobicContact CD2-CZ 4.15Å; L146-F166 HydrophobicContact CG-CE2 3.96Å; L146-F166 HydrophobicContact CG-CZ 3.92Å; L146-F166 VanDerWaalsContact O-CE2 3.26Å; L146-F166 WeakPolarHBondContact O-CE2 3.46Å; L146-V192 HydrophobicContact CD2-CG1 4.19Å; L146-V192 HydrophobicContact CD2-CG2 4.05Å
147A98.8Very high98.3Very high0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-137.2155.2178.700000111Y145 L154 F155 S163Y145-A147 PolarHBondContact O-N 3.35Å; A147-L154 WeakPolarHBondContact O-CA 3.47Å; A147-F155 HydrophobicContact CB-CD1 4.31Å; A147-F155 HydrophobicContact CB-CD2 4.22Å; A147-F155 HydrophobicContact CB-CE1 3.88Å; A147-F155 HydrophobicContact CB-CE2 3.79Å; A147-F155 HydrophobicContact CB-CG 4.47Å; A147-F155 HydrophobicContact CB-CZ 3.6Å; A147-F155 PolarHBondContact N-O 2.89Å; A147-F155 PolarHBondContact O-N 3.12Å; A147-S163 WeakPolarHBondContact CA-O 3.32Å
148M98.8Very high98.3Very high0 Ų045.7 Ų45.70%025%0.248CC..EExtended strand (participates in β ladder)trans-121.8132.7173-171.3180-6900110.6T153 L154 S163 F166 W183 M190 F191 V192M148-T153 WeakPolarHBondContact CA-O 3.22Å; M148-L154 HydrophobicContact CB-CD2 4.11Å; M148-L154 HydrophobicContact CE-CD2 3.54Å; M148-L154 HydrophobicContact CG-CD2 4.25Å; M148-S163 PolarHBondContact N-O 2.76Å; M148-S163 WeakPolarHBondContact O-CB 3.39Å; M148-S163 PolarHBondContact O-OG 3.47Å; M148-F166 HydrophobicContact CB-CE1 4.1Å; M148-F166 HydrophobicContact CB-CZ 4.45Å; M148-F166 HydrophobicContact CE-CE1 4.48Å; M148-W183 PolarHBondContact O-NE1 2.78Å; M148-M190 HydrophobicContact SD-CB 3.63Å; M148-M190 HydrophobicContact SD-CE 4.15Å; M148-F191 VanDerWaalsContact CE-C 3.45Å; M148-F191 WeakPolarHBondContact CE-O 3.48Å; M148-V192 HydrophobicContact CE-CG2 4.37Å
149S98.5Very high98.3Very high32 Ų3251.1 Ų51.122%0.22427%0.271CS..  trans-80165.7176.7760000111.6K151 G152 T153S149-K151 PolarHBondContact O-N 3.44Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-K151 PolarHBondContact OG-N 3.01Å; S149-G152 WeakPolarHBondContact O-CA 3.35Å; S149-G152 PolarHBondContact O-N 2.82Å; S149-T153 PolarHBondContact N-O 3.36Å; S149-T153 WeakPolarHBondContact OG-CB 3.48Å; S149-T153 PolarHBondContact OG-N 3.16Å; S149-T153 VanDerWaalsContact OG-N 3.12Å
150K98.1Very high98.3Very high160 Ų16055.9 Ų55.970%0.69629%0.29SS*.THydrogen-bonded Turntrans-55.1-31.1173.5-174.2177.6179.8-177.90112.9G152 W183K150-G152 PolarHBondContact O-N 2.83Å; K150-W183 HydrophobicContact CB-CD2 4.07Å; K150-W183 HydrophobicContact CB-CE3 3.88Å; K150-W183 HydrophobicContact CB-CH2 4.05Å; K150-W183 HydrophobicContact CB-CZ2 4.24Å; K150-W183 HydrophobicContact CB-CZ3 3.88Å; K150-W183 HydrophobicContact CD-CE3 4.46Å; K150-W183 HydrophobicContact CD-CH2 4.46Å; K150-W183 HydrophobicContact CD-CZ3 3.96Å; K150-W183 HydrophobicContact CG-CD2 4.46Å; K150-W183 HydrophobicContact CG-CE3 3.81Å; K150-W183 HydrophobicContact CG-CH2 4.4Å; K150-W183 HydrophobicContact CG-CZ3 3.79Å
151K97.9Very high98.3Very high165 Ų16554 Ų5472%0.71728%0.28SS*.THydrogen-bonded Turntrans-77.2-7.7176.4-63.6-175.1179179.20113S149 H204S149-K151 PolarHBondContact O-N 3.44Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-K151 PolarHBondContact OG-N 3.01Å; K151-H204 PolarHBondContact O-ND1 2.93Å; K151-H204 VanDerWaalsContact O-ND1 3.12Å
152G98.1Very high98.4Very high0 Ų054.6 Ų54.60%028%0.283CS..  trans84.417.3-176.400000113.9S149 K150 R202 G203S149-G152 WeakPolarHBondContact O-CA 3.35Å; S149-G152 PolarHBondContact O-N 2.82Å; K150-G152 PolarHBondContact O-N 2.83Å; G152-R202 CarbonylContact O-C 3.52Å; G152-R202 WeakPolarHBondContact O-CA 3.44Å; G152-G203 PolarHBondContact O-N 3.49Å
153T98.5Very high98.4Very high67 Ų6753.9 Ų53.941%0.41128%0.279SS..  trans-81.8132.6175.5-53.10000109.4M148 S149M148-T153 WeakPolarHBondContact CA-O 3.22Å; S149-T153 PolarHBondContact N-O 3.36Å; S149-T153 WeakPolarHBondContact OG-CB 3.48Å; S149-T153 PolarHBondContact OG-N 3.16Å; S149-T153 VanDerWaalsContact OG-N 3.12Å
154L98.8Very high98.4Very high11 Ų1152.6 Ų52.66%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-82.7137.6172.9-64177.4000110.3V112 L146 A147 M148 V192 P200V112-L154 HydrophobicContact CB-CB 4.05Å; V112-L154 HydrophobicContact CG1-CB 4.17Å; V112-L154 HydrophobicContact CG1-CD1 4.3Å; V112-L154 HydrophobicContact CG2-CB 4.1Å; L146-L154 HydrophobicContact CD1-CD2 4.49Å; A147-L154 WeakPolarHBondContact O-CA 3.47Å; M148-L154 HydrophobicContact CB-CD2 4.11Å; M148-L154 HydrophobicContact CE-CD2 3.54Å; M148-L154 HydrophobicContact CG-CD2 4.25Å; L154-V192 HydrophobicContact CD1-CG1 3.88Å; L154-V192 HydrophobicContact CD2-CG2 4.11Å; L154-P200 HydrophobicContact CB-CB 4.37Å; L154-P200 HydrophobicContact CD1-CB 4.04Å
155F98.8Very high98.4Very high71 Ų7155 Ų5531%0.31128%0.275SS..EExtended strand (participates in β ladder)trans-153.3160.1176.766.1-81000110.1G110 A147G110-F155 CarbonylContact O-C 3.59Å; G110-F155 WeakPolarHBondContact O-CA 3.26Å; A147-F155 HydrophobicContact CB-CD1 4.31Å; A147-F155 HydrophobicContact CB-CD2 4.22Å; A147-F155 HydrophobicContact CB-CE1 3.88Å; A147-F155 HydrophobicContact CB-CE2 3.79Å; A147-F155 HydrophobicContact CB-CG 4.47Å; A147-F155 HydrophobicContact CB-CZ 3.6Å; A147-F155 PolarHBondContact N-O 2.89Å; A147-F155 PolarHBondContact O-N 3.12Å
156G98.7Very high98.4Very high13 Ų1352.7 Ų52.713%0.13427%0.266CS..EExtended strand (participates in β ladder)trans-86.8128.6170.400000110.3G110 Y145G110-G156 PolarHBondContact O-N 3.29Å; Y145-G156 CarbonylContact O-C 3.51Å; Y145-G156 WeakPolarHBondContact O-CA 3.21Å
157S98.6Very high98.4Very high24 Ų2456 Ų5617%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-113.8132.1178.4-1640000110.8Y145 K159Y145-S157 PolarHBondContact N-O 2.78Å; Y145-S157 PolarHBondContact O-N 2.77Å; S157-K159 PolarHBondContact OG-O 3.05Å
158V98Very high98.4Very high115 Ų11557.1 Ų57.170%0.69729%0.286SS*.SBendtrans-67.3-41.7175.7-179.30000110.8L144L144-V158 HydrophobicContact CD2-CB 4.27Å; L144-V158 HydrophobicContact CD2-CG2 3.57Å
159K97.8Very high98.3Very high172 Ų17263.1 Ų63.175%0.74831%0.309SS*.SBendtrans-97.3133-177.4-65.7-174.9179.4-178.70110.5S157 S161S157-K159 PolarHBondContact OG-O 3.05Å; K159-S161 PolarHBondContact O-N 2.88Å
160Y98.3Very high98.2Very high99 Ų9964.2 Ų64.239%0.38831%0.311SS..  trans-61.7133.6170.9-178-109.8000110.4V130 A136 Y145 C164 K165V130-Y160 WeakPolarHBondContact CG1-OH 3.32Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.3Å; A136-Y160 HydrophobicContact CB-CD2 4.44Å; A136-Y160 HydrophobicContact CB-CE2 3.7Å; Y145-Y160 HydrophobicContact CD1-CD2 4.04Å; Y145-Y160 HydrophobicContact CE1-CD2 4.04Å; Y145-Y160 HydrophobicContact CG-CD2 4.4Å; Y160-C164 HydrophobicContact CD2-CB 3.9Å; Y160-C164 HydrophobicContact CE2-CB 3.91Å; Y160-K165 WeakPolarHBondContact OH-CE 3.33Å; Y160-K165 WeakPolarHBondContact OH-CG 3.46Å
161S98.1Very high98.1Very high32 Ų3257.7 Ų57.722%0.22428%0.283CS..  trans-150.7167-176.467.90000111.2K159 S163 C164K159-S161 PolarHBondContact O-N 2.88Å; S161-S163 PolarHBondContact O-N 2.91Å; S161-C164 PolarHBondContact N-SG 2.92Å; S161-C164 VanDerWaalsContact O-CB 3.27Å; S161-C164 WeakPolarHBondContact O-CB 3.3Å; S161-C164 PolarHBondContact O-N 3.41Å; S161-C164 PolarHBondContact O-SG 2.87Å; S161-C164 PolarHBondContact OG-SG 2.67Å; S161-C164 VanDerWaalsContact OG-SG 3.35Å
162P98.2Very high97.9Very high67 Ų6759 Ų5944%0.43529%0.292SS..G310 helixtrans-56.6-21.9175.1-29.537.9000114.8C164 K165P162-C164 PolarHBondContact O-N 3.16Å; P162-K165 PolarHBondContact O-N 2.99Å
163S98.4Very high97.7Very high14 Ų1463 Ų6310%0.09831%0.313CS..G310 helixtrans-71.2-13.4174.4-63.90000113.5A147 M148 S161 W183A147-S163 WeakPolarHBondContact CA-O 3.32Å; M148-S163 PolarHBondContact N-O 2.76Å; M148-S163 WeakPolarHBondContact O-CB 3.39Å; M148-S163 PolarHBondContact O-OG 3.47Å; S161-S163 PolarHBondContact O-N 2.91Å; S163-W183 PolarHBondContact OG-NE1 2.85Å; S163-W183 VanDerWaalsContact OG-NE1 3.15Å
164C98.7Very high97.5Very high0 Ų061.7 Ų61.70%031%0.314CS..G310 helixtrans-94.3-1.6-179.8-47.90000113.1L146 Y160 S161 P162 F166L146-C164 WeakPolarHBondContact O-CA 3.04Å; Y160-C164 HydrophobicContact CD2-CB 3.9Å; Y160-C164 HydrophobicContact CE2-CB 3.91Å; S161-C164 PolarHBondContact N-SG 2.92Å; S161-C164 VanDerWaalsContact O-CB 3.27Å; S161-C164 WeakPolarHBondContact O-CB 3.3Å; S161-C164 PolarHBondContact O-N 3.41Å; S161-C164 PolarHBondContact O-SG 2.87Å; S161-C164 PolarHBondContact OG-SG 2.67Å; S161-C164 VanDerWaalsContact OG-SG 3.35Å; P162-C164 PolarHBondContact O-N 3.16Å; C164-F166 WeakPolarHBondContact O-CD2 3.47Å; C164-F166 WeakPolarHBondContact O-CE2 3.32Å
165K98.6Very high97.5Very high65 Ų6563.5 Ų63.528%0.28332%0.32SS..EExtended strand (participates in β ladder)trans-90.7122.5-179.9-65.4-174.2-179.9-170.30110.1V130 V134 Y160 P162 L181V130-K165 HydrophobicContact CG1-CD 4.31Å; V134-K165 HydrophobicContact CG1-CB 3.99Å; Y160-K165 WeakPolarHBondContact OH-CE 3.33Å; Y160-K165 WeakPolarHBondContact OH-CG 3.46Å; P162-K165 PolarHBondContact O-N 2.99Å; K165-L181 HydrophobicContact CB-CB 3.85Å; K165-L181 HydrophobicContact CB-CD2 3.75Å; K165-L181 HydrophobicContact CB-CG 4.43Å; K165-L181 HydrophobicContact CD-CD2 3.81Å; K165-L181 HydrophobicContact CG-CD2 4.4Å; K165-L181 VanDerWaalsContact O-CB 3.29Å; K165-L181 WeakPolarHBondContact O-CB 3.4Å; K165-L181 PolarHBondContact O-N 2.93Å
166F98.8Very high97.5Very high0 Ų060.2 Ų60.20%031%0.305CS..EExtended strand (participates in β ladder)trans-121.9136177.5-57.7-83000111.4V134 V135 I137 L146 M148 C164 E168 Y178 A179 V192V134-F166 CarbonylContact C-O 3.47Å; V134-F166 VanDerWaalsContact CA-O 3.27Å; V134-F166 WeakPolarHBondContact CA-O 3.47Å; V135-F166 HydrophobicContact CG2-CB 4.29Å; V135-F166 PolarHBondContact N-O 2.82Å; V135-F166 PolarHBondContact O-N 3.07Å; I137-F166 HydrophobicContact CD1-CD2 4.44Å; L146-F166 HydrophobicContact CB-CE2 4.15Å; L146-F166 HydrophobicContact CD2-CE2 4.06Å; L146-F166 HydrophobicContact CD2-CZ 4.15Å; L146-F166 HydrophobicContact CG-CE2 3.96Å; L146-F166 HydrophobicContact CG-CZ 3.92Å; L146-F166 VanDerWaalsContact O-CE2 3.26Å; L146-F166 WeakPolarHBondContact O-CE2 3.46Å; M148-F166 HydrophobicContact CB-CE1 4.1Å; M148-F166 HydrophobicContact CB-CZ 4.45Å; M148-F166 HydrophobicContact CE-CE1 4.48Å; C164-F166 WeakPolarHBondContact O-CD2 3.47Å; C164-F166 WeakPolarHBondContact O-CE2 3.32Å; F166-E168 PolarHBondContact O-N 3.42Å; F166-Y178 HydrophobicContact CB-CD1 4.44Å; F166-A179 CarbonylContact C-O 3.4Å; F166-A179 WeakPolarHBondContact CA-O 3.41Å; F166-V192 HydrophobicContact CD1-CG2 3.74Å; F166-V192 HydrophobicContact CE1-CG2 3.57Å; F166-V192 HydrophobicContact CG-CG2 4.48Å; F166-V192 HydrophobicContact CZ-CG2 4.19Å
167K98.4Very high97.5Very high69 Ų6959.7 Ų59.730%0.330%0.3SS..EExtended strand (participates in β ladder)trans-74.1115.3167-61.3-172.6-179-166.90108.4G133 V134 Y178 A179 L181G133-K167 CarbonylContact O-C 3.55Å; G133-K167 VanDerWaalsContact O-CA 3.31Å; G133-K167 WeakPolarHBondContact O-CA 3.39Å; V134-K167 HydrophobicContact CG2-CG 4.41Å; K167-Y178 WeakPolarHBondContact O-CA 3.28Å; K167-A179 HydrophobicContact CB-CB 4.39Å; K167-A179 PolarHBondContact N-O 3.47Å; K167-A179 PolarHBondContact O-N 2.75Å; K167-L181 HydrophobicContact CD-CD1 4.17Å; K167-L181 HydrophobicContact CG-CD1 3.87Å
168E97.8Very high97.5Very high24 Ų2458.6 Ų58.611%0.11229%0.292CS..EExtended strand (participates in β ladder)trans-88.4130.3173179.5169.4-126.100109R92 G133 V135 F166 N176 T177 Y178R92-E168 IonicContact CZ-OE2 3.52Å; R92-E168 IonicContact NH1-OE1 3.77Å; R92-E168 IonicContact NH1-OE2 3.29Å; R92-E168 PolarHBondContact NH1-OE2 2.7Å; R92-E168 IonicContact NH2-OE1 3.97Å; R92-E168 IonicContact NH2-OE2 2.78Å; R92-E168 PolarHBondContact NH2-OE2 2.76Å; G133-E168 PolarHBondContact O-N 3.35Å; V135-E168 HydrophobicContact CG1-CB 4.04Å; V135-E168 WeakPolarHBondContact CG1-OE2 3.48Å; V135-E168 HydrophobicContact CG2-CB 4.13Å; F166-E168 PolarHBondContact O-N 3.42Å; E168-N176 PolarHBondContact OE1-ND2 2.92Å; E168-T177 WeakPolarHBondContact CA-O 3.42Å; E168-Y178 HydrophobicContact CB-CD1 4.07Å; E168-Y178 HydrophobicContact CB-CE1 3.83Å; E168-Y178 HydrophobicContact CG-CD1 4.28Å; E168-Y178 HydrophobicContact CG-CE1 3.62Å; E168-Y178 VanDerWaalsContact OE1-CE1 3.22Å; E168-Y178 WeakPolarHBondContact OE1-CE1 3.35Å; E168-Y178 VanDerWaalsContact OE1-CZ 3.32Å; E168-Y178 PolarHBondContact OE1-OH 2.85Å
169R96.8Very high97.5Very high126 Ų12653.1 Ų53.148%0.47526%0.259SS..EExtended strand (participates in β ladder)trans-138.9138.1173.1-71.4-171.4171.9-174-6.1110.3N176 T177R169-N176 CarbonylContact O-C 3.55Å; R169-N176 WeakPolarHBondContact O-CA 3.23Å; R169-T177 PolarHBondContact N-O 2.78Å; R169-T177 VanDerWaalsContact N-O 3.08Å; R169-T177 PolarHBondContact O-N 3.2Å
170I96.5Very high97.6Very high54 Ų5445 Ų4528%0.27722%0.224SC..EExtended strand (participates in β ladder)trans-82.7123.8169-59.1171.2000107.2Y84 L87 N176Y84-I170 HydrophobicContact CD1-CD1 3.99Å; Y84-I170 HydrophobicContact CD2-CD1 3.75Å; Y84-I170 HydrophobicContact CE1-CD1 3.82Å; Y84-I170 HydrophobicContact CE2-CD1 3.58Å; Y84-I170 HydrophobicContact CG-CD1 3.95Å; L87-I170 HydrophobicContact CD1-CD1 4.04Å; I170-N176 WeakPolarHBondContact CG1-OD1 3.33Å
171E96.1Very high97.6Very high23 Ų2343.2 Ų43.211%0.10722%0.221CC..  trans-86.2166.3173.4-56.1-66.2147.900110.4N173 G174 Y175 T177 R208E171-N173 PolarHBondContact O-N 3.28Å; E171-N173 VanDerWaalsContact O-N 3.08Å; E171-G174 PolarHBondContact O-N 3.02Å; E171-Y175 PolarHBondContact N-O 2.84Å; E171-T177 HydrophobicContact CG-CG2 3.54Å; E171-T177 VanDerWaalsContact OE1-CG2 3.27Å; E171-T177 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T177 PolarHBondContact OE1-OG1 3.03Å; E171-R208 WeakPolarHBondContact OE1-CD 3.42Å; E171-R208 VanDerWaalsContact OE1-CG 3.24Å; E171-R208 WeakPolarHBondContact OE1-CG 3.14Å; E171-R208 IonicContact OE1-NE 3.59Å; E171-R208 IonicContact OE2-CZ 3.8Å; E171-R208 IonicContact OE2-NE 2.96Å; E171-R208 PolarHBondContact OE2-NE 3.02Å; E171-R208 IonicContact OE2-NH2 3.85Å
172E94Very high97.5Very high192 Ų19248 Ų4890%0.89723%0.234SC*.THydrogen-bonded Turntrans-58.4-26-176.1-67.9160.5-16100113.6G174E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å
173N94.1Very high97.5Very high84 Ų8447 Ų4745%0.44922%0.221SC..THydrogen-bonded Turntrans-85.57.5177.867.7-4.5000114.1E171 Y175 H214E171-N173 PolarHBondContact O-N 3.28Å; E171-N173 VanDerWaalsContact O-N 3.08Å; N173-Y175 VanDerWaalsContact C-N 3.28Å; N173-Y175 HydrophobicContact CB-CD2 4.48Å; N173-Y175 PolarHBondContact O-N 3.3Å; N173-Y175 WeakPolarHBondContact OD1-CB 3.01Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; N173-Y175 VanDerWaalsContact OD1-N 3.15Å; N173-H214 PolarHBondContact ND2-CE1 3.5Å; N173-H214 VanDerWaalsContact ND2-CE1 3.32Å; N173-H214 PolarHBondContact ND2-ND1 2.84Å
174G95.1Very high97.5Very high41 Ų4152.2 Ų52.242%0.42324%0.242SC..SBendtrans80.2-0.5179.400000115.3E171 E172E171-G174 PolarHBondContact O-N 3.02Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å
175Y97.9Very high97.5Very high49 Ų4957 Ų5719%0.19227%0.265CS..  trans-86.3154.9172.1-75-100.5000111.5A99 E171 N173 H214 L216A99-Y175 HydrophobicContact CB-CD1 4.39Å; A99-Y175 HydrophobicContact CB-CE1 3.96Å; E171-Y175 PolarHBondContact N-O 2.84Å; N173-Y175 VanDerWaalsContact C-N 3.28Å; N173-Y175 HydrophobicContact CB-CD2 4.48Å; N173-Y175 PolarHBondContact O-N 3.3Å; N173-Y175 WeakPolarHBondContact OD1-CB 3.01Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; N173-Y175 VanDerWaalsContact OD1-N 3.15Å; Y175-H214 HydrophobicContact CD1-CB 3.85Å; Y175-H214 HydrophobicContact CG-CB 3.84Å; Y175-L216 HydrophobicContact CD1-CB 3.95Å; Y175-L216 HydrophobicContact CE1-CB 3.8Å
176N98.3Very high97.3Very high1 Ų157.8 Ų57.81%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-93.3146173.1-64.611.1000110.9E168 R169 I170 Y178 F215E168-N176 PolarHBondContact OE1-ND2 2.92Å; R169-N176 CarbonylContact O-C 3.55Å; R169-N176 WeakPolarHBondContact O-CA 3.23Å; I170-N176 WeakPolarHBondContact CG1-OD1 3.33Å; N176-Y178 HydrophobicContact CB-CE2 4.03Å; N176-F215 WeakPolarHBondContact CA-O 3.39Å; N176-F215 PolarHBondContact N-O 2.7Å; N176-F215 PolarHBondContact O-N 3.23Å
177T98.6Very high97.2Very high2 Ų261 Ų611%0.01232%0.324CS..EExtended strand (participates in β ladder)trans-111.8147.5163.761.70000110.7E168 R169 E171 R208E168-T177 WeakPolarHBondContact CA-O 3.42Å; R169-T177 PolarHBondContact N-O 2.78Å; R169-T177 VanDerWaalsContact N-O 3.08Å; R169-T177 PolarHBondContact O-N 3.2Å; E171-T177 HydrophobicContact CG-CG2 3.54Å; E171-T177 VanDerWaalsContact OE1-CG2 3.27Å; E171-T177 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T177 PolarHBondContact OE1-OG1 3.03Å; T177-R208 HydrophobicContact CG2-CG 4.22Å
178Y98.8Very high97.1Very high1 Ų161.3 Ų61.30%0.00432%0.323CS..EExtended strand (participates in β ladder)trans-123.8102.8178.4-60.7-78.1000109.6L96 V135 I137 F166 K167 E168 N176 F191 V192 F215L96-Y178 HydrophobicContact CD1-CE2 4.38Å; L96-Y178 HydrophobicContact CD2-CE2 3.96Å; V135-Y178 HydrophobicContact CG2-CD1 3.96Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å; I137-Y178 HydrophobicContact CD1-CD1 3.86Å; I137-Y178 HydrophobicContact CD1-CE1 3.98Å; I137-Y178 HydrophobicContact CD1-CG 4.21Å; F166-Y178 HydrophobicContact CB-CD1 4.44Å; K167-Y178 WeakPolarHBondContact O-CA 3.28Å; E168-Y178 HydrophobicContact CB-CD1 4.07Å; E168-Y178 HydrophobicContact CB-CE1 3.83Å; E168-Y178 HydrophobicContact CG-CD1 4.28Å; E168-Y178 HydrophobicContact CG-CE1 3.62Å; E168-Y178 VanDerWaalsContact OE1-CE1 3.22Å; E168-Y178 WeakPolarHBondContact OE1-CE1 3.35Å; E168-Y178 VanDerWaalsContact OE1-CZ 3.32Å; E168-Y178 PolarHBondContact OE1-OH 2.85Å; N176-Y178 HydrophobicContact CB-CE2 4.03Å; Y178-F191 WeakPolarHBondContact O-CA 3.42Å; Y178-V192 PolarHBondContact O-N 3.16Å; Y178-F215 HydrophobicContact CD2-CB 4.46Å; Y178-F215 HydrophobicContact CD2-CD2 4.12Å; Y178-F215 HydrophobicContact CE2-CB 4Å; Y178-F215 HydrophobicContact CE2-CD2 4.48Å; Y178-F215 HydrophobicContact CE2-CG 4.48Å
179A98.7Very high97.1Very high1 Ų162.8 Ų62.81%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-96.2139.7177.800000111F166 K167 L181 Q189 M190 F191F166-A179 CarbonylContact C-O 3.4Å; F166-A179 WeakPolarHBondContact CA-O 3.41Å; K167-A179 HydrophobicContact CB-CB 4.39Å; K167-A179 PolarHBondContact N-O 3.47Å; K167-A179 PolarHBondContact O-N 2.75Å; A179-L181 PolarHBondContact O-N 2.86Å; A179-Q189 HydrophobicContact CB-CB 4.23Å; A179-Q189 VanDerWaalsContact CB-OE1 3.25Å; A179-M190 CarbonylContact C-O 3.57Å; A179-M190 VanDerWaalsContact CA-O 3.26Å; A179-M190 WeakPolarHBondContact CA-O 3.32Å; A179-F191 HydrophobicContact CB-CD1 3.85Å; A179-F191 HydrophobicContact CB-CE1 3.69Å; A179-F191 HydrophobicContact CB-CZ 4.23Å
180S98.7Very high97.2Very high2 Ų256.8 Ų56.81%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-57.9127.9171.5-176.10000109.9W183 M190S180-W183 PolarHBondContact OG-N 3.3Å; S180-W183 VanDerWaalsContact OG-N 3.09Å; S180-M190 PolarHBondContact N-O 2.75Å
181L98.3Very high97.3Very high60 Ų6054.7 Ų54.731%0.31430%0.297SS..EExtended strand (participates in β ladder)trans-67.4-44.7175.8179.762.6000110.8V134 K165 K167 A179V134-L181 HydrophobicContact CG1-CD2 3.94Å; V134-L181 HydrophobicContact CG2-CD1 4.32Å; V134-L181 HydrophobicContact CG2-CD2 4.32Å; K165-L181 HydrophobicContact CB-CB 3.85Å; K165-L181 HydrophobicContact CB-CD2 3.75Å; K165-L181 HydrophobicContact CB-CG 4.43Å; K165-L181 HydrophobicContact CD-CD2 3.81Å; K165-L181 HydrophobicContact CG-CD2 4.4Å; K165-L181 VanDerWaalsContact O-CB 3.29Å; K165-L181 WeakPolarHBondContact O-CB 3.4Å; K165-L181 PolarHBondContact O-N 2.93Å; K167-L181 HydrophobicContact CD-CD1 4.17Å; K167-L181 HydrophobicContact CG-CD1 3.87Å; A179-L181 PolarHBondContact O-N 2.86Å
182R97.8Very high97.4Very high134 Ų13453.7 Ų53.751%0.50629%0.292SS..EExtended strand (participates in β ladder)trans-82.1-43.9-174.4-177175-178.5-171.64.4113
183W98.3Very high97.7Very high44 Ų4444.5 Ų44.517%0.16725%0.249CC..EExtended strand (participates in β ladder)trans-101.4128.8-164.8-53.1120000112.8M148 K150 S163 S180 M190M148-W183 PolarHBondContact O-NE1 2.78Å; K150-W183 HydrophobicContact CB-CD2 4.07Å; K150-W183 HydrophobicContact CB-CE3 3.88Å; K150-W183 HydrophobicContact CB-CH2 4.05Å; K150-W183 HydrophobicContact CB-CZ2 4.24Å; K150-W183 HydrophobicContact CB-CZ3 3.88Å; K150-W183 HydrophobicContact CD-CE3 4.46Å; K150-W183 HydrophobicContact CD-CH2 4.46Å; K150-W183 HydrophobicContact CD-CZ3 3.96Å; K150-W183 HydrophobicContact CG-CD2 4.46Å; K150-W183 HydrophobicContact CG-CE3 3.81Å; K150-W183 HydrophobicContact CG-CH2 4.4Å; K150-W183 HydrophobicContact CG-CZ3 3.79Å; S163-W183 PolarHBondContact OG-NE1 2.85Å; S163-W183 VanDerWaalsContact OG-NE1 3.15Å; S180-W183 PolarHBondContact OG-N 3.3Å; S180-W183 VanDerWaalsContact OG-N 3.09Å; W183-M190 HydrophobicContact CB-CE 3.18Å; W183-M190 HydrophobicContact CG-CE 4.29Å
184K97.9Very high97.9Very high124 Ų12440.5 Ų40.554%0.53923%0.228SC..EExtended strand (participates in β ladder)trans-129160.4174.3-63.3-178.9-176.3177.40109.6R188K184-R188 CarbonylContact C-O 3.55Å; K184-R188 VanDerWaalsContact CA-O 3.27Å; K184-R188 WeakPolarHBondContact CA-O 3.33Å; K184-R188 WeakPolarHBondContact CB-O 3.42Å
185H97.5Very high98Very high102 Ų10240.1 Ų40.147%0.47222%0.216SC..EExtended strand (participates in β ladder)trans-133.1114175.6-177.6-74.7000109.6R188 M190 H204H185-R188 PolarHBondContact N-O 3.32Å; H185-R188 PolarHBondContact O-N 2.78Å; H185-M190 HydrophobicContact CB-CG 4.29Å; H185-M190 HydrophobicContact CB-SD 4.18Å; H185-H204 HydrophobicContact CB-CB 3.69Å
186G96Very high98Very high81 Ų8140.4 Ų40.484%0.83523%0.234SC*.THydrogen-bonded Turntrans58.149.3-175.100000112.2R188G186-R188 PolarHBondContact O-N 2.82Å
187G95.6Very high97.9Very high68 Ų6850 Ų5070%0.70127%0.27SS*.THydrogen-bonded Turntrans72.3-17.3-176.300000115.5
188R96.9Very high97.9Very high74 Ų7449.9 Ų49.928%0.27927%0.269SS..EExtended strand (participates in β ladder)trans-89.9142.5-175.4-165.9172.652.97013.6113K184 H185 G186 H204 A206 R207K184-R188 CarbonylContact C-O 3.55Å; K184-R188 VanDerWaalsContact CA-O 3.27Å; K184-R188 WeakPolarHBondContact CA-O 3.33Å; K184-R188 WeakPolarHBondContact CB-O 3.42Å; H185-R188 PolarHBondContact N-O 3.32Å; H185-R188 PolarHBondContact O-N 2.78Å; G186-R188 PolarHBondContact O-N 2.82Å; R188-H204 PolarHBondContact NH2-O 3.07Å; R188-A206 PolarHBondContact NH1-O 2.83Å; R188-R207 VanDerWaalsContact NH2-CZ 3.28Å
189Q98Very high97.9Very high56 Ų5654.2 Ų54.226%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-62.6145.2174.9-66.5177.161.900111.9A179 F191A179-Q189 HydrophobicContact CB-CB 4.23Å; A179-Q189 VanDerWaalsContact CB-OE1 3.25Å; Q189-F191 HydrophobicContact CB-CE2 3.79Å; Q189-F191 HydrophobicContact CB-CZ 3.88Å; Q189-F191 WeakPolarHBondContact O-CE2 3.44Å
190M98.5Very high97.8Very high0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-104.3139.9171.9-67.7-162-67.900110M148 A179 S180 W183 H185 G203 H204M148-M190 HydrophobicContact SD-CB 3.63Å; M148-M190 HydrophobicContact SD-CE 4.15Å; A179-M190 CarbonylContact C-O 3.57Å; A179-M190 VanDerWaalsContact CA-O 3.26Å; A179-M190 WeakPolarHBondContact CA-O 3.32Å; S180-M190 PolarHBondContact N-O 2.75Å; W183-M190 HydrophobicContact CB-CE 3.18Å; W183-M190 HydrophobicContact CG-CE 4.29Å; H185-M190 HydrophobicContact CB-CG 4.29Å; H185-M190 HydrophobicContact CB-SD 4.18Å; M190-G203 WeakPolarHBondContact CA-O 3.19Å; M190-H204 HydrophobicContact CG-CB 4.24Å; M190-H204 HydrophobicContact SD-CB 3.82Å; M190-H204 PolarHBondContact SD-N 3.39Å
191F98.8Very high97.8Very high9 Ų959.6 Ų59.64%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-118.7143.6-171.1-64.3-94.6000112M148 Y178 A179 Q189 S193 G203 A206 R208 T213M148-F191 VanDerWaalsContact CE-C 3.45Å; M148-F191 WeakPolarHBondContact CE-O 3.48Å; Y178-F191 WeakPolarHBondContact O-CA 3.42Å; A179-F191 HydrophobicContact CB-CD1 3.85Å; A179-F191 HydrophobicContact CB-CE1 3.69Å; A179-F191 HydrophobicContact CB-CZ 4.23Å; Q189-F191 HydrophobicContact CB-CE2 3.79Å; Q189-F191 HydrophobicContact CB-CZ 3.88Å; Q189-F191 WeakPolarHBondContact O-CE2 3.44Å; F191-S193 PolarHBondContact O-N 2.73Å; F191-G203 PolarHBondContact N-O 2.99Å; F191-G203 WeakPolarHBondContact O-CA 3.41Å; F191-A206 HydrophobicContact CB-CB 3.94Å; F191-R208 HydrophobicContact CE1-CB 3.93Å; F191-R208 HydrophobicContact CE1-CG 3.85Å; F191-R208 HydrophobicContact CE2-CB 4.14Å; F191-R208 HydrophobicContact CZ-CB 3.59Å; F191-R208 HydrophobicContact CZ-CG 3.93Å; F191-T213 HydrophobicContact CB-CG2 3.51Å; F191-T213 HydrophobicContact CG-CG2 4.07Å
192V98.8Very high97.8Very high2 Ų263.4 Ų63.41%0.01232%0.324CS..  trans-57.8133161.5-179.90000107.2L146 M148 L154 F166 Y178 F215L146-V192 HydrophobicContact CD2-CG1 4.19Å; L146-V192 HydrophobicContact CD2-CG2 4.05Å; M148-V192 HydrophobicContact CE-CG2 4.37Å; L154-V192 HydrophobicContact CD1-CG1 3.88Å; L154-V192 HydrophobicContact CD2-CG2 4.11Å; F166-V192 HydrophobicContact CD1-CG2 3.74Å; F166-V192 HydrophobicContact CE1-CG2 3.57Å; F166-V192 HydrophobicContact CG-CG2 4.48Å; F166-V192 HydrophobicContact CZ-CG2 4.19Å; Y178-V192 PolarHBondContact O-N 3.16Å; V192-F215 HydrophobicContact CB-CE2 4.37Å; V192-F215 HydrophobicContact CG1-CE2 3.96Å; V192-F215 HydrophobicContact CG1-CZ 3.95Å
193S98.5Very high97.8Very high0 Ų057 Ų570%030%0.3CS..  trans-160.3144.2-179.752.20000113.9F191 P200 R201 A206 S212F191-S193 PolarHBondContact O-N 2.73Å; S193-P200 WeakPolarHBondContact O-CA 3.1Å; S193-R201 PolarHBondContact O-N 2.87Å; S193-R201 WeakPolarHBondContact OG-CB 3.28Å; S193-A206 WeakPolarHBondContact OG-CB 3.16Å; S193-S212 CarbonylContact C-O 3.55Å; S193-S212 WeakPolarHBondContact CA-O 3.3Å; S193-S212 WeakPolarHBondContact CB-O 2.97Å
194L98.7Very high97.7Very high0 Ų056.8 Ų56.80%030%0.301CS..BIsolated β-bridgetrans-113.9135.8170-60.6-177.8000109.1N100 F102 L104 K199 P200 S212 F215N100-L194 PolarHBondContact ND2-O 3.09Å; F102-L194 HydrophobicContact CB-CD1 4.06Å; L104-L194 HydrophobicContact CD1-CD1 4.15Å; L104-L194 HydrophobicContact CD1-CD2 3.91Å; L104-L194 HydrophobicContact CD1-CG 4.21Å; L194-K199 CarbonylContact C-O 3.55Å; L194-K199 WeakPolarHBondContact CA-O 3.45Å; L194-P200 HydrophobicContact CD2-CB 4.39Å; L194-S212 PolarHBondContact N-O 2.87Å; L194-S212 VanDerWaalsContact O-CA 3.32Å; L194-S212 WeakPolarHBondContact O-CA 3.37Å; L194-S212 WeakPolarHBondContact O-CB 3.44Å; L194-F215 HydrophobicContact CD1-CE1 4.07Å; L194-F215 HydrophobicContact CG-CE1 4.1Å; L194-F215 HydrophobicContact CG-CZ 4.1Å
195N97.8Very high97.7Very high32 Ų3256.6 Ų56.617%0.17130%0.3CS..  trans-76.3179174.167.817.9000111.7N100 R197 G198 K199 R201N100-N195 VanDerWaalsContact ND2-C 3.29Å; N100-N195 PolarHBondContact ND2-O 3.15Å; N195-R197 PolarHBondContact O-N 2.91Å; N195-R197 WeakPolarHBondContact OD1-CA 3.34Å; N195-R197 WeakPolarHBondContact OD1-CB 3.16Å; N195-R197 PolarHBondContact OD1-N 3.07Å; N195-G198 PolarHBondContact O-N 3.33Å; N195-G198 PolarHBondContact OD1-N 2.87Å; N195-G198 VanDerWaalsContact OD1-N 3.15Å; N195-K199 VanDerWaalsContact CG-O 3.29Å; N195-K199 PolarHBondContact N-O 3.46Å; N195-K199 PolarHBondContact OD1-N 2.97Å; N195-K199 PolarHBondContact OD1-O 2.84Å; N195-R201 HydrophobicContact CB-CG 3.73Å
196G97.3Very high97.7Very high55 Ų5551.8 Ų51.857%0.56728%0.277SS*.THydrogen-bonded Turntrans-63-10.9177.500000114.9F102F102-G196 WeakPolarHBondContact CE2-O 3.46Å
197R97.6Very high97.7Very high202 Ų20253.5 Ų53.576%0.76226%0.259SS*.THydrogen-bonded Turntrans-100.47.4174.7-60.8-176.7-72.1-174.3-3.5112.7N195 K199N195-R197 PolarHBondContact O-N 2.91Å; N195-R197 WeakPolarHBondContact OD1-CA 3.34Å; N195-R197 WeakPolarHBondContact OD1-CB 3.16Å; N195-R197 PolarHBondContact OD1-N 3.07Å; R197-K199 PolarHBondContact O-N 3.14Å
198G97.3Very high97.8Very high0 Ų054.8 Ų54.80%024%0.243CC..SBendtrans77.31.4-177.700000114.7F102 G114 N195F102-G198 VanDerWaalsContact CE2-N 3.27Å; G114-G198 VanDerWaalsContact CA-O 3.23Å; G114-G198 WeakPolarHBondContact CA-O 3.25Å; G114-G198 PolarHBondContact N-O 3.15Å; N195-G198 PolarHBondContact O-N 3.33Å; N195-G198 PolarHBondContact OD1-N 2.87Å; N195-G198 VanDerWaalsContact OD1-N 3.15Å
199K98.3Very high97.7Very high93 Ų9361.3 Ų61.340%0.40427%0.267SS..PPolyproline II helixtrans-85.5143.5-179.3-60.7-67.8167.9-140.50111.9D113 L194 N195 R197 R201D113-K199 WeakPolarHBondContact OD1-CD 3.26Å; D113-K199 IonicContact OD1-NZ 2.92Å; D113-K199 PolarHBondContact OD1-NZ 2.83Å; D113-K199 IonicContact OD2-NZ 3.71Å; D113-K199 PolarHBondContact OD2-NZ 2.85Å; L194-K199 CarbonylContact C-O 3.55Å; L194-K199 WeakPolarHBondContact CA-O 3.45Å; N195-K199 VanDerWaalsContact CG-O 3.29Å; N195-K199 PolarHBondContact N-O 3.46Å; N195-K199 PolarHBondContact OD1-N 2.97Å; N195-K199 PolarHBondContact OD1-O 2.84Å; R197-K199 PolarHBondContact O-N 3.14Å; K199-R201 PolarHBondContact O-N 2.88Å
200P98.2Very high97.7Very high46 Ų4662.9 Ų62.930%0.29927%0.274SS..BIsolated β-bridgetrans-63138.6176.929.6-38.2000111V112 L154 S193 L194V112-P200 WeakPolarHBondContact O-CD 3.36Å; V112-P200 VanDerWaalsContact O-CG 3.28Å; V112-P200 WeakPolarHBondContact O-CG 3.4Å; L154-P200 HydrophobicContact CB-CB 4.37Å; L154-P200 HydrophobicContact CD1-CB 4.04Å; S193-P200 WeakPolarHBondContact O-CA 3.1Å; L194-P200 HydrophobicContact CD2-CB 4.39Å
201R97.7Very high97.6Very high69 Ų6965.9 Ų65.926%0.2629%0.294SS..PPolyproline II helixtrans-98.4154.8171.8-56.5174.869.2-150.50.3109.9S193 N195 K199 G203 K205 S212S193-R201 PolarHBondContact O-N 2.87Å; S193-R201 WeakPolarHBondContact OG-CB 3.28Å; N195-R201 HydrophobicContact CB-CG 3.73Å; K199-R201 PolarHBondContact O-N 2.88Å; R201-G203 PolarHBondContact O-N 2.93Å; R201-K205 PolarHBondContact NH2-O 3.48Å; R201-S212 PolarHBondContact NH1-OG 2.63Å
202R98.2Very high97.6Very high141 Ų14165.4 Ų65.453%0.53229%0.292SS..PPolyproline II helixtrans-62.2129.5169.5-63.4-168.8-177174.5-2109.5G152 H204 K205 A206G152-R202 CarbonylContact O-C 3.52Å; G152-R202 WeakPolarHBondContact O-CA 3.44Å; R202-H204 VanDerWaalsContact C-N 3.25Å; R202-H204 VanDerWaalsContact CD-CE1 3.43Å; R202-H204 WeakPolarHBondContact CD-CE1 3.33Å; R202-H204 PolarHBondContact O-N 3.25Å; R202-H204 VanDerWaalsContact O-N 3.16Å; R202-K205 HydrophobicContact CB-CG 4.32Å; R202-K205 WeakPolarHBondContact O-CA 3.43Å; R202-K205 WeakPolarHBondContact O-CB 3.25Å; R202-K205 PolarHBondContact O-N 3.21Å; R202-A206 PolarHBondContact O-N 2.88Å
203G97.8Very high97.6Very high0 Ų065.3 Ų65.30%029%0.291CS..G310 helixtrans-58.4-31.7-173.700000114.3G152 M190 F191 R201 K205 A206G152-G203 PolarHBondContact O-N 3.49Å; M190-G203 WeakPolarHBondContact CA-O 3.19Å; F191-G203 PolarHBondContact N-O 2.99Å; F191-G203 WeakPolarHBondContact O-CA 3.41Å; R201-G203 PolarHBondContact O-N 2.93Å; G203-K205 VanDerWaalsContact C-N 3.26Å; G203-K205 PolarHBondContact O-N 3.28Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.48Å
204H97.4Very high97.6Very high39 Ų3966 Ų6618%0.18129%0.294CS..G310 helixtrans-69.7-21173.867.1-95.5000113K151 H185 R188 M190 R202 R207K151-H204 PolarHBondContact O-ND1 2.93Å; K151-H204 VanDerWaalsContact O-ND1 3.12Å; H185-H204 HydrophobicContact CB-CB 3.69Å; R188-H204 PolarHBondContact NH2-O 3.07Å; M190-H204 HydrophobicContact CG-CB 4.24Å; M190-H204 HydrophobicContact SD-CB 3.82Å; M190-H204 PolarHBondContact SD-N 3.39Å; R202-H204 VanDerWaalsContact C-N 3.25Å; R202-H204 VanDerWaalsContact CD-CE1 3.43Å; R202-H204 WeakPolarHBondContact CD-CE1 3.33Å; R202-H204 PolarHBondContact O-N 3.25Å; R202-H204 VanDerWaalsContact O-N 3.16Å; H204-R207 PolarHBondContact O-NH1 2.76Å
205K97.3Very high97.6Very high120 Ų12066 Ų6652%0.52229%0.294SS..G310 helixtrans-85.4-17.3173.8-59.7-170176.2-171.10112.5R201 R202 G203 R207R201-K205 PolarHBondContact NH2-O 3.48Å; R202-K205 HydrophobicContact CB-CG 4.32Å; R202-K205 WeakPolarHBondContact O-CA 3.43Å; R202-K205 WeakPolarHBondContact O-CB 3.25Å; R202-K205 PolarHBondContact O-N 3.21Å; G203-K205 VanDerWaalsContact C-N 3.26Å; G203-K205 PolarHBondContact O-N 3.28Å; K205-R207 PolarHBondContact O-NH1 3.15Å
206A96.6Very high97.5Very high0 Ų067.5 Ų67.50%030%0.302CS..  trans-77.5152.8177.400000111.5R188 F191 S193 R202 G203 T213R188-A206 PolarHBondContact NH1-O 2.83Å; F191-A206 HydrophobicContact CB-CB 3.94Å; S193-A206 WeakPolarHBondContact OG-CB 3.16Å; R202-A206 PolarHBondContact O-N 2.88Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.48Å; A206-T213 HydrophobicContact CB-CG2 3.69Å
207R96.5Very high97.5Very high118 Ų11865.7 Ų65.745%0.44528%0.28SS..  trans-137140.1-179.7-65.1-66.1-178.2-79.73.7108.8R188 H204 K205 R209 H210 T213R188-R207 VanDerWaalsContact NH2-CZ 3.28Å; H204-R207 PolarHBondContact O-NH1 2.76Å; K205-R207 PolarHBondContact O-NH1 3.15Å; R207-R209 VanDerWaalsContact C-N 3.32Å; R207-R209 PolarHBondContact O-N 3.19Å; R207-H210 HydrophobicContact CB-CB 4.08Å; R207-H210 VanDerWaalsContact O-CB 3.31Å; R207-H210 WeakPolarHBondContact O-CB 3.44Å; R207-H210 PolarHBondContact O-N 3.18Å; R207-T213 VanDerWaalsContact O-CG2 3.26Å; R207-T213 WeakPolarHBondContact O-CG2 3.26Å; R207-T213 PolarHBondContact O-OG1 3.24Å; R207-T213 VanDerWaalsContact O-OG1 3.07Å
208R96.9Very high97.4Very high95 Ų9559.3 Ų59.336%0.35826%0.26SS..THydrogen-bonded Turntrans-53-43.9-174.8-165.2-177.992.6-1575.2113.9E171 T177 F191 H210 T213 H214E171-R208 WeakPolarHBondContact OE1-CD 3.42Å; E171-R208 VanDerWaalsContact OE1-CG 3.24Å; E171-R208 WeakPolarHBondContact OE1-CG 3.14Å; E171-R208 IonicContact OE1-NE 3.59Å; E171-R208 IonicContact OE2-CZ 3.8Å; E171-R208 IonicContact OE2-NE 2.96Å; E171-R208 PolarHBondContact OE2-NE 3.02Å; E171-R208 IonicContact OE2-NH2 3.85Å; T177-R208 HydrophobicContact CG2-CG 4.22Å; F191-R208 HydrophobicContact CE1-CB 3.93Å; F191-R208 HydrophobicContact CE1-CG 3.85Å; F191-R208 HydrophobicContact CE2-CB 4.14Å; F191-R208 HydrophobicContact CZ-CB 3.59Å; F191-R208 HydrophobicContact CZ-CG 3.93Å; R208-H210 VanDerWaalsContact C-N 3.27Å; R208-H210 PolarHBondContact O-N 2.97Å; R208-T213 PolarHBondContact O-OG1 2.89Å; R208-T213 VanDerWaalsContact O-OG1 3.09Å; R208-H214 PolarHBondContact O-NE2 2.98Å
209R96.1Very high97.2Very high210 Ų21065.1 Ų65.179%0.79229%0.291SS*.THydrogen-bonded Turntrans-78.5-9.8-179.1-64.8-175.9177.8172.3-1.9113.4R207R207-R209 VanDerWaalsContact C-N 3.32Å; R207-R209 PolarHBondContact O-N 3.19Å
210H97.3Very high96.7Very high89 Ų8963.4 Ų63.441%0.41229%0.289SS..SBendtrans-83.3133.5-175.4-171.3-84.4000110.5R207 R208 S212 T213R207-H210 HydrophobicContact CB-CB 4.08Å; R207-H210 VanDerWaalsContact O-CB 3.31Å; R207-H210 WeakPolarHBondContact O-CB 3.44Å; R207-H210 PolarHBondContact O-N 3.18Å; R208-H210 VanDerWaalsContact C-N 3.27Å; R208-H210 PolarHBondContact O-N 2.97Å; H210-S212 VanDerWaalsContact ND1-CB 3.3Å; H210-S212 WeakPolarHBondContact ND1-CB 3.48Å; H210-S212 PolarHBondContact ND1-N 2.63Å; H210-S212 VanDerWaalsContact ND1-N 3.16Å; H210-S212 PolarHBondContact ND1-OG 2.8Å; H210-S212 PolarHBondContact O-N 2.95Å; H210-T213 PolarHBondContact O-N 3.11Å; H210-T213 PolarHBondContact O-OG1 3.02Å
211P96.9Very high95.6Very high63 Ų6366.1 Ų66.141%0.40931%0.309SS..G310 helixtrans-54.3-29.3-176-28.934.7000114.5A99 T213 H214A99-P211 HydrophobicContact CB-CB 4.22Å; P211-T213 PolarHBondContact O-N 2.82Å; P211-H214 WeakPolarHBondContact O-CB 3.37Å; P211-H214 PolarHBondContact O-N 3.5Å
212S97.9Very high95.5Very high0 Ų066 Ų660%031%0.311CS..G310 helixtrans-55.7-22.1175.468.40000114.7S193 L194 R201 H210S193-S212 CarbonylContact C-O 3.55Å; S193-S212 WeakPolarHBondContact CA-O 3.3Å; S193-S212 WeakPolarHBondContact CB-O 2.97Å; L194-S212 PolarHBondContact N-O 2.87Å; L194-S212 VanDerWaalsContact O-CA 3.32Å; L194-S212 WeakPolarHBondContact O-CA 3.37Å; L194-S212 WeakPolarHBondContact O-CB 3.44Å; R201-S212 PolarHBondContact NH1-OG 2.63Å; H210-S212 VanDerWaalsContact ND1-CB 3.3Å; H210-S212 WeakPolarHBondContact ND1-CB 3.48Å; H210-S212 PolarHBondContact ND1-N 2.63Å; H210-S212 VanDerWaalsContact ND1-N 3.16Å; H210-S212 PolarHBondContact ND1-OG 2.8Å; H210-S212 PolarHBondContact O-N 2.95Å
213T98.6Very high95.4Very high0 Ų062.1 Ų62.10%030%0.3CS..G310 helixtrans-96.6-4.7-179.460.70000113.9F191 A206 R207 R208 H210 P211 F215F191-T213 HydrophobicContact CB-CG2 3.51Å; F191-T213 HydrophobicContact CG-CG2 4.07Å; A206-T213 HydrophobicContact CB-CG2 3.69Å; R207-T213 VanDerWaalsContact O-CG2 3.26Å; R207-T213 WeakPolarHBondContact O-CG2 3.26Å; R207-T213 PolarHBondContact O-OG1 3.24Å; R207-T213 VanDerWaalsContact O-OG1 3.07Å; R208-T213 PolarHBondContact O-OG1 2.89Å; R208-T213 VanDerWaalsContact O-OG1 3.09Å; H210-T213 PolarHBondContact O-N 3.11Å; H210-T213 PolarHBondContact O-OG1 3.02Å; P211-T213 PolarHBondContact O-N 2.82Å; T213-F215 VanDerWaalsContact O-CD2 3.31Å; T213-F215 WeakPolarHBondContact O-CD2 3.47Å
214H98.6Very high95.2Very high13 Ų1365.5 Ų65.56%0.0632%0.316CS..  trans-92.7127.3-173.4-66.6179000109.8S98 A99 N173 Y175 R208 P211S98-H214 CarbonylContact C-O 3.51Å; S98-H214 VanDerWaalsContact CA-O 3.3Å; S98-H214 WeakPolarHBondContact CA-O 3.29Å; A99-H214 HydrophobicContact CB-CB 3.86Å; A99-H214 PolarHBondContact N-O 3.09Å; N173-H214 PolarHBondContact ND2-CE1 3.5Å; N173-H214 VanDerWaalsContact ND2-CE1 3.32Å; N173-H214 PolarHBondContact ND2-ND1 2.84Å; Y175-H214 HydrophobicContact CD1-CB 3.85Å; Y175-H214 HydrophobicContact CG-CB 3.84Å; R208-H214 PolarHBondContact O-NE2 2.98Å; P211-H214 WeakPolarHBondContact O-CB 3.37Å; P211-H214 PolarHBondContact O-N 3.5Å
215F98.7Very high95.1Very high0 Ų067.1 Ų67.10%032%0.324CS..EExtended strand (participates in β ladder)trans-132.7135.1178.6-64.5-92.9000110.3L96 Y97 L104 N176 Y178 V192 L194 T213L96-F215 HydrophobicContact CB-CB 4.49Å; L96-F215 HydrophobicContact CB-CD1 4.13Å; Y97-F215 CarbonylContact O-C 3.52Å; Y97-F215 WeakPolarHBondContact O-CA 3.13Å; L104-F215 HydrophobicContact CB-CE1 4.41Å; N176-F215 WeakPolarHBondContact CA-O 3.39Å; N176-F215 PolarHBondContact N-O 2.7Å; N176-F215 PolarHBondContact O-N 3.23Å; Y178-F215 HydrophobicContact CD2-CB 4.46Å; Y178-F215 HydrophobicContact CD2-CD2 4.12Å; Y178-F215 HydrophobicContact CE2-CB 4Å; Y178-F215 HydrophobicContact CE2-CD2 4.48Å; Y178-F215 HydrophobicContact CE2-CG 4.48Å; V192-F215 HydrophobicContact CB-CE2 4.37Å; V192-F215 HydrophobicContact CG1-CE2 3.96Å; V192-F215 HydrophobicContact CG1-CZ 3.95Å; L194-F215 HydrophobicContact CD1-CE1 4.07Å; L194-F215 HydrophobicContact CG-CE1 4.1Å; L194-F215 HydrophobicContact CG-CZ 4.1Å; T213-F215 VanDerWaalsContact O-CD2 3.31Å; T213-F215 WeakPolarHBondContact O-CD2 3.47Å
216L97.5Very high95Very high64 Ų6463.8 Ų63.834%0.33531%0.312SS..EExtended strand (participates in β ladder)trans-101.1115.4174.6-176.865000108.3Y97 Y175 M218Y97-L216 PolarHBondContact N-O 3.43Å; Y97-L216 PolarHBondContact O-N 3.15Å; Y175-L216 HydrophobicContact CD1-CB 3.95Å; Y175-L216 HydrophobicContact CE1-CB 3.8Å; L216-M218 HydrophobicContact CD2-CG 4.33Å; L216-M218 HydrophobicContact CG-CG 4.27Å; L216-M218 PolarHBondContact O-N 3.24Å
217P96.2Very high94.9Very high18 Ų1868 Ų6812%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-69.7109.6173-16.130.7000110.1R94 L96R94-P217 HydrophobicContact CB-CB 4.18Å; R94-P217 HydrophobicContact CG-CB 4.1Å; L96-P217 HydrophobicContact CD2-CB 4.28Å; L96-P217 HydrophobicContact CD2-CG 4.22Å
218M95.3Very high94.7Very high67 Ų6764.4 Ų64.433%0.3333%0.325SS..EExtended strand (participates in β ladder)trans-101.3145.8179.5-62.9-176.972.100111.1R94 R95 Y97 F103 L216R94-M218 CarbonylContact C-O 3.59Å; R94-M218 WeakPolarHBondContact CA-O 3.26Å; R94-M218 WeakPolarHBondContact CB-O 3.14Å; R94-M218 WeakPolarHBondContact CD-O 3.43Å; R95-M218 PolarHBondContact N-O 3.07Å; R95-M218 PolarHBondContact O-N 3.44Å; Y97-M218 VanDerWaalsContact CB-SD 3.53Å; Y97-M218 HydrophobicContact CD1-SD 4.08Å; Y97-M218 HydrophobicContact CG-SD 3.82Å; F103-M218 HydrophobicContact CE1-SD 3.94Å; F103-M218 HydrophobicContact CZ-SD 4.41Å; L216-M218 HydrophobicContact CD2-CG 4.33Å; L216-M218 HydrophobicContact CG-CG 4.27Å; L216-M218 PolarHBondContact O-N 3.24Å
219L92.4Very high94.6Very high123 Ų12362.1 Ų62.164%0.64432%0.322SS*.  trans-63.4144.6170.2-69.5173.1000110.5S221L219-S221 PolarHBondContact O-N 2.63Å; L219-S221 VanDerWaalsContact O-N 3.14Å
220P87.8Confident94.4Very high56 Ų5649.8 Ų49.836%0.36428%0.283SS..  trans-65.2114.1167.626.4-30.1000108.9L93 R95 L124L93-P220 WeakPolarHBondContact O-CD 3.35Å; R95-P220 VanDerWaalsContact NH1-CA 3.27Å; L124-P220 HydrophobicContact CD1-CB 3.87Å; L124-P220 HydrophobicContact CD1-CG 4.22Å
221S76.2Confident94.2Very high104 Ų10446.2 Ų46.273%0.72727%0.271SS*.  trans-79.90160.665.10000111.1R95 K118 L219R95-S221 PolarHBondContact NH1-O 3.36Å; K118-S221 WeakPolarHBondContact CE-OG 3.48Å; K118-S221 PolarHBondContact NZ-OG 3.23Å; L219-S221 PolarHBondContact O-N 2.63Å; L219-S221 VanDerWaalsContact O-N 3.14Å

Retrieved 221 of 221 residues in 213.8 ms (Link to these results)