A0A093JI53_STRCA Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A093JI53, Species STRCA (Struthio camelus australis), Gene n/a, Length 211 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
1M45.2Very low41.1Very low248 Ų248148.1 Ų148.1100%1.22283%0.825SS**  0990-72.8173.8176.600107.9
2C40.1Very low41.1Very low119 Ų119143.3 Ų143.380%0.80482%0.818SS**  trans-88.6134.8175.5-59.80000108.6
3K41.6Very low41Very low195 Ų195147.7 Ų147.785%0.84882%0.823SS**  trans-143.3104.4161.2-143.6173-176.3178.20109
4W35.3Very low40.8Very low228 Ų228144.7 Ų144.786%0.86482%0.817SS**  trans-89139.1165.9-60.985.2000107.5
5I49.8Very low40.9Very low156 Ų156146.6 Ų146.680%0.882%0.816SS**  trans-129.7112.2157.2-65.8-178.8000107.2
6L43.3Very low41.2Very low138 Ų138147.4 Ų147.472%0.72382%0.817SS**  trans-81.6154159.9-94.5127.9000109.4
7T47.9Very low41.8Very low113 Ų113144.8 Ų144.869%0.69381%0.808SS**  155.9114.2124.746.40000108.4
8N39.4Very low41.6Very low153 Ų153143 Ų14382%0.81881%0.806SS**  78.4133.8102.3-61.2-19.1000111.8
9G33.9Very low41.3Very low67 Ų67140.3 Ų140.369%0.69180%0.796SS**  cis163.9164.56.800000108.6
10A37.7Very low41.1Very low101 Ų101138.6 Ų138.684%0.83579%0.792SS**  trans62.4150.5156.800000117.8
11S37.9Very low41.4Very low111 Ų111139.8 Ų139.878%0.77680%0.795SS**  cis177.1149.7-3.341.50000106.7
12A40.9Very low41.3Very low90 Ų90134.2 Ų134.274%0.74477%0.77SS**  trans153.2102.9146.800000108.3
13F40.6Very low41.6Very low201 Ų201134.1 Ų134.188%0.88276%0.761SS**  46.8109.276.1-85.1-81.4000115.3
14S38.1Very low41.9Very low106 Ų106133.4 Ų133.474%0.74177%0.765SS**  trans169.5106.1133.9390000109.3
15H41.2Very low42.2Very low173 Ų173130 Ų13080%0.80176%0.757SS**  91.1100.196.3-92-76000114.6
16L46.9Very low41.8Very low160 Ų160130 Ų13084%0.83876%0.757SS**  -75.8152.1128.2-109.374.8000106.7
17P51.5Low42Very low102 Ų102128.6 Ų128.666%0.66275%0.754SS**  -156-1775939.1-16.9000116.4
18C37.3Very low41.7Very low113 Ų113128.7 Ų128.776%0.76476%0.76SS**  trans62.1158.2154.8-117.60000116.6
19C36.3Very low42Very low92 Ų92126.2 Ų126.262%0.62275%0.754SS**  cis-172.2154.2-5.4-105.30000105.4
20C36.7Very low42.9Very low106 Ų106129.3 Ų129.372%0.71676%0.759SS**  trans62.2119.8148.7-59.80000119.7
21L47.3Very low43.4Very low163 Ų163129.7 Ų129.785%0.85375%0.753SS**  -17789.4123.3-91.2161.5000105.3
22L43.4Very low43.6Very low132 Ų132130.6 Ų130.669%0.69175%0.754SS**  53102.791.4-65.4171.9000111.5
23L45.8Very low43.7Very low117 Ų117131.7 Ų131.761%0.61375%0.751SS**  95.2115.593.1-82.7-176.4000111.8F25L23-F25 HydrophobicContact CD1-CE2 4.28Å; L23-F25 HydrophobicContact CD2-CD2 3.67Å; L23-F25 HydrophobicContact CD2-CE2 3.33Å; L23-F25 HydrophobicContact CD2-CZ 4.3Å; L23-F25 HydrophobicContact CG-CE2 4.41Å
24L48.7Very low43.5Very low180 Ų180127.8 Ų127.894%0.94275%0.748SS**  trans-142.4113.9134.4-86.3179.8000109.7
25F40.8Very low43.5Very low156 Ų156130.9 Ų130.968%0.68475%0.75SS**  trans-74.5153.2164.3-78-93.4000110.6L23L23-F25 HydrophobicContact CD1-CE2 4.28Å; L23-F25 HydrophobicContact CD2-CD2 3.67Å; L23-F25 HydrophobicContact CD2-CE2 3.33Å; L23-F25 HydrophobicContact CD2-CZ 4.3Å; L23-F25 HydrophobicContact CG-CE2 4.41Å
26L42.8Very low43.1Very low155 Ų155129.3 Ų129.381%0.81275%0.748SS**  161.7107113.4-81.8170.3000110
27V46.1Very low42.5Very low110 Ų110129.2 Ų129.267%0.66775%0.747SS**  73.5115.396.1-176.30000116
28S42.1Very low41.5Very low115 Ų115127.8 Ų127.880%0.80475%0.751SS**  trans-175.4108.4130.443.70000106.3
29S46.3Very low41.2Very low101 Ų101130.9 Ų130.971%0.70675%0.754SS**  59.293.756.4-58.40000113.9
30V51.8Low40.8Very low131 Ų131133.6 Ų133.679%0.79476%0.762SS**  trans-153.7129.9131.2-169.80000109.5
31P49.2Very low40.7Very low109 Ų109136.6 Ų136.671%0.70877%0.768SS**  trans-92.5149.6165.535.8-28.3000110.7
32V42.8Very low40Very low130 Ų130136.9 Ų136.979%0.78877%0.769SS**  trans-119.3109.7164.5179.20000108.4
33T41.3Very low39.5Very low113 Ų113135.7 Ų135.769%0.69377%0.772SS**  trans-111.1135.6162.244.80000107.6
34C37.5Very low39.5Very low119 Ų119135.3 Ų135.380%0.80478%0.777SS**  trans-132.7126160.6-50.70000108.3
35H36.8Very low38.5Very low171 Ų171135.3 Ų135.379%0.79277%0.772SS**  trans-70.1143.4178.9-70.5-96000111.7
36D34.6Very low38.2Very low140 Ų140132 Ų13275%0.74977%0.773SS**  91.2154.568.3-16132.8000114.5
37L32.8Very low37.6Very low159 Ų159131.6 Ų131.683%0.83278%0.778SS**  trans101.4101.3-174.1-55.8176.3000111.5
38G30.6Very low37Very low71 Ų71133.6 Ų133.673%0.73278%0.784SS**  82.4122.260.600000107.1
39Q32Very low36.6Very low178 Ų178133.6 Ų133.683%0.83278%0.784SS**  cis-174.5145.541.3-130.4162-18.500103.1
40D28.3Very low36.1Very low149 Ų149133.6 Ų133.680%0.79779%0.785SS**  177.914888.2-93.4-35.8000111.3
41M34.3Very low35.3Very low169 Ų169132.4 Ų132.483%0.83378%0.782SS**  trans-66.8150.8175.1-66.8-123.694.400113.2
42L31.5Very low34.7Very low169 Ų169133 Ų13389%0.88579%0.789SS**  172.3121125.8-91.7148000111.1
43S33.7Very low34.4Very low108 Ų108132 Ų13276%0.75579%0.787SS**  trans-84.8157147.3-52.50000107.4
44P45.2Very low34.3Very low109 Ų109132.3 Ų132.371%0.70879%0.794SS**  -155.117271.737.2-14.1000117.7
45E28.7Very low34.3Very low180 Ų180130.9 Ų130.984%0.84179%0.785SS**  trans54.2121.1145.8-77.6-177.211200125.1
46A33.6Very low34.4Very low85 Ų85132.5 Ų132.570%0.70279%0.791SS**  19.8130129.500000120.6
47T31Very low34.9Very low148 Ų148130.9 Ų130.991%0.90879%0.788SS**  trans-149.1136.7133.4-10.60000111.8
48N33.1Very low35.3Very low151 Ų151129.1 Ų129.181%0.80779%0.789SS**  trans-75.4176.3-176.5-85.3-37.7000113.5
49S33.6Very low35.7Very low115 Ų115130.4 Ų130.480%0.80479%0.786SS**  trans93.8132.315670.80000115.9
50S36.2Very low36.3Very low102 Ų102132.4 Ų132.471%0.71379%0.793SS**  cis-170.8141.55.935.90000111.1
51S34.5Very low36.7Very low106 Ų106130 Ų13074%0.74179%0.788SS**  trans40.3117.1140.662.50000121.3
52S36.8Very low37.2Very low122 Ų122127.2 Ų127.285%0.85379%0.785SS**  trans-135.290.6132.161.10000109.3
53S36Very low38Very low107 Ų107125.6 Ų125.675%0.74879%0.785SS**  trans-71.8117.5168.844.60000110.2
54S38.8Very low38.2Very low120 Ų120125.6 Ų125.684%0.83979%0.785SS**  trans-111.389.9156.447.40000108.9
55S39Very low38.6Very low89 Ų89126.1 Ų126.162%0.62279%0.791SS**  trans-51.9147161.1-44.60000110.5
56F37.8Very low39.7Very low205 Ų205121.9 Ų121.990%0.89979%0.787SS**  trans174.4152.9140.9-83-43.1000109.8
57P45.1Very low40.6Very low107 Ų107120.8 Ų120.870%0.69578%0.784SS**  -107.8162.6-10822.4-4.2000114.5S59P57-S59 PolarHBondContact O-N 3.42Å
58S41.9Very low42Very low122 Ų122125.1 Ų125.185%0.85378%0.783SS**  trans-70.1113.5160.852.20000110.5
59S38.3Very low42.9Very low97 Ų97125.9 Ų125.968%0.67878%0.782SS**  trans-131.4110.3162.641.20000109.3P57 S61P57-S59 PolarHBondContact O-N 3.42Å; S59-S61 PolarHBondContact O-N 3.45Å
60F45.5Very low44.3Very low221 Ų221126.4 Ų126.497%0.96978%0.78SS**  trans-64.5120.5162.1-95.3-98.4000108.7
61S36.3Very low46Very low99 Ų99130.1 Ų130.169%0.69278%0.778SS**  trans-156.7107.7164.148.80000109.9S59S59-S61 PolarHBondContact O-N 3.45Å
62S44.5Very low47.4Very low110 Ų110129 Ų12977%0.76977%0.77SS**  trans38.4145.9147.5-55.40000121.7S64S62-S64 PolarHBondContact O-N 2.89Å
63P47.8Very low48.7Very low135 Ų135127 Ų12788%0.87775%0.745SS**  trans-76.491.1-168.532.7-33.6000111.2S65P63-S65 PolarHBondContact O-N 3.32Å
64S39.4Very low50Low108 Ų108127.6 Ų127.676%0.75574%0.739SS**  trans-70.2118.8164.257.70000108.5S62 A66S62-S64 PolarHBondContact O-N 2.89Å; S64-A66 PolarHBondContact O-N 2.78Å
65S53.4Low51.1Low119 Ų119125.1 Ų125.183%0.83271%0.714SS**  trans-28.493.1167.3-1780000112P63 G67P63-S65 PolarHBondContact O-N 3.32Å; S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 2.85Å
66A50.4Low52.1Low92 Ų92124 Ų12476%0.7670%0.701SS**  trans-6995.1172.400000105.8S64 R68S64-A66 PolarHBondContact O-N 2.78Å; A66-R68 PolarHBondContact O-N 3Å
67G52.8Low53Low62 Ų62119.9 Ų119.964%0.63969%0.685SS**  trans-44.6118.4164.100000106.9S65 H69S65-G67 VanDerWaalsContact C-N 3.26Å; S65-G67 PolarHBondContact O-N 2.85Å; G67-H69 PolarHBondContact O-N 3.46Å
68R60.3Low53.7Low238 Ų238117.4 Ų117.490%0.89868%0.678SS**  trans-51.6108.2178.7-78.2-179.6-96.5144.9-7106.5A66 V70A66-R68 PolarHBondContact O-N 3Å; R68-V70 PolarHBondContact O-N 3.02Å
69H52.7Low55.3Low168 Ų168118 Ų11878%0.77867%0.672SS**  trans-54.8104.3175.9177.6-85.9000107.2G67 R71G67-H69 PolarHBondContact O-N 3.46Å; H69-R71 PolarHBondContact O-N 2.71Å
70V63.3Low57.8Low126 Ų126117.1 Ų117.176%0.76466%0.662SS**  trans-68.3102.3179.7177.90000105.2R68 S72R68-V70 PolarHBondContact O-N 3.02Å; V70-S72 PolarHBondContact O-N 3.03Å
71R71.9Confident60.1Low180 Ų180107.4 Ų107.468%0.67962%0.619SS**  trans-62.5100.9175.7-133.1159.9179147.31.1106.6H69 Y73H69-R71 PolarHBondContact O-N 2.71Å; R71-Y73 HydrophobicContact CB-CD2 4.46Å; R71-Y73 HydrophobicContact CB-CE2 3.79Å; R71-Y73 WeakPolarHBondContact CD-OH 3.34Å; R71-Y73 HydrophobicContact CG-CE1 4.37Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; R71-Y73 WeakPolarHBondContact O-CD2 3.37Å; R71-Y73 PolarHBondContact O-N 2.96Å
72S64.3Low62.9Low81 Ų81108.9 Ų108.957%0.56661%0.613SS**  trans-70.8114.8176.4-176.70000108.3V70V70-S72 PolarHBondContact O-N 3.03Å
73Y63Low65.3Low82 Ų82104.6 Ų104.632%0.32258%0.58SS.*  trans-104.997.5173.7-62.5-73.8000107.9R71 H75 L76 I159R71-Y73 HydrophobicContact CB-CD2 4.46Å; R71-Y73 HydrophobicContact CB-CE2 3.79Å; R71-Y73 WeakPolarHBondContact CD-OH 3.34Å; R71-Y73 HydrophobicContact CG-CE1 4.37Å; R71-Y73 HydrophobicContact CG-CE2 4.42Å; R71-Y73 WeakPolarHBondContact O-CD2 3.37Å; R71-Y73 PolarHBondContact O-N 2.96Å; Y73-H75 AromaticContact CD1-CE1 3.57Å; Y73-H75 AromaticContact CG-CE1 3.93Å; Y73-H75 PolarHBondContact O-N 3.12Å; Y73-H75 VanDerWaalsContact O-N 3.09Å; Y73-L76 HydrophobicContact CD2-CD1 3.74Å; Y73-L76 HydrophobicContact CG-CD1 3.94Å; Y73-L76 HydrophobicContact CG-CG 4.4Å; Y73-L76 WeakPolarHBondContact O-CA 3.42Å; Y73-L76 WeakPolarHBondContact O-CB 3.42Å; Y73-L76 PolarHBondContact O-N 3.43Å; Y73-I159 HydrophobicContact CD1-CD1 4.01Å; Y73-I159 HydrophobicContact CD2-CD1 4Å; Y73-I159 HydrophobicContact CE1-CD1 3.69Å; Y73-I159 HydrophobicContact CE2-CD1 3.68Å; Y73-I159 HydrophobicContact CG-CD1 4.13Å; Y73-I159 VanDerWaalsContact CZ-CD1 3.49Å
74N63.7Low67.7Low118 Ų11899.9 Ų99.963%0.63155%0.546SS*.G310 helixtrans-56.1-29.2179-64.9-16.8000112.1L76 Q77N74-L76 PolarHBondContact O-N 3.42Å; N74-Q77 WeakPolarHBondContact O-CB 3.41Å; N74-Q77 PolarHBondContact O-N 3.29Å; N74-Q77 PolarHBondContact OD1-NE2 2.82Å; N74-Q77 VanDerWaalsContact OD1-NE2 3.1Å
75H60.8Low70.5Confident68 Ų6894.8 Ų94.832%0.31551%0.51SS..G310 helixtrans-73.8-5.5174.970.7-95.1000114.2Y73 R83Y73-H75 AromaticContact CD1-CE1 3.57Å; Y73-H75 AromaticContact CG-CE1 3.93Å; Y73-H75 PolarHBondContact O-N 3.12Å; Y73-H75 VanDerWaalsContact O-N 3.09Å; H75-R83 PolarHBondContact O-NH1 2.8Å; H75-R83 PolarHBondContact O-NH2 2.91Å
76L62.1Low72.7Confident66 Ų6691.6 Ų91.635%0.34648%0.48SS..G310 helixtrans-103.5-3.4171.4-57.7-178000112.3Y73 N74 R81 I159Y73-L76 HydrophobicContact CD2-CD1 3.74Å; Y73-L76 HydrophobicContact CG-CD1 3.94Å; Y73-L76 HydrophobicContact CG-CG 4.4Å; Y73-L76 WeakPolarHBondContact O-CA 3.42Å; Y73-L76 WeakPolarHBondContact O-CB 3.42Å; Y73-L76 PolarHBondContact O-N 3.43Å; N74-L76 PolarHBondContact O-N 3.42Å; L76-R81 VanDerWaalsContact CD2-NH1 3.3Å; L76-I159 HydrophobicContact CD1-CD1 4.31Å
77Q55.5Low75Confident119 Ų11987.2 Ų87.256%0.55644%0.444SS*.  trans-74138.2176.7-72.2174.416.700111N74N74-Q77 WeakPolarHBondContact O-CB 3.41Å; N74-Q77 PolarHBondContact O-N 3.29Å; N74-Q77 PolarHBondContact OD1-NE2 2.82Å; N74-Q77 VanDerWaalsContact OD1-NE2 3.1Å
78G59.7Low77.1Confident55 Ų5589 Ų8957%0.56743%0.432SS*.SBendtrans99.3133-176.100000112.8V80G78-V80 PolarHBondContact O-N 3.37Å
79D75.6Confident78.9Confident134 Ų13479.7 Ų79.772%0.71740%0.4SS*.SBendtrans-58.1-30177-85.2-17.2000112.4T117 S118D79-T117 WeakPolarHBondContact O-CA 3.42Å; D79-S118 PolarHBondContact O-N 2.93Å; D79-S118 VanDerWaalsContact O-N 3.1Å
80V90.1Very high81.1Confident78 Ų7877.2 Ų77.247%0.47339%0.387SS..EExtended strand (participates in β ladder)trans-129.3123.1-178.2-175.20000110G78 E115 T117G78-V80 PolarHBondContact O-N 3.37Å; V80-E115 HydrophobicContact CG1-CG 3.33Å; V80-T117 HydrophobicContact CG2-CG2 4.08Å
81R93.8Very high82.7Confident18 Ų1872.8 Ų72.87%0.06836%0.357CS..EExtended strand (participates in β ladder)trans-125.3124.5-179.741.5162.1176.9171.91.7111.9L76 R83 I116 E157L76-R81 VanDerWaalsContact CD2-NH1 3.3Å; R81-R83 HydrophobicContact CB-CG 4.4Å; R81-I116 HydrophobicContact CG-CB 3.9Å; R81-I116 WeakPolarHBondContact CG-O 3.24Å; R81-I116 PolarHBondContact N-O 3.1Å; R81-I116 PolarHBondContact O-N 2.79Å; R81-E157 IonicContact CZ-OE1 3.26Å; R81-E157 IonicContact CZ-OE2 2.9Å; R81-E157 IonicContact NH1-OE1 2.66Å; R81-E157 PolarHBondContact NH1-OE1 3.42Å; R81-E157 IonicContact NH1-OE2 3.1Å; R81-E157 PolarHBondContact NH1-OE2 2.96Å; R81-E157 IonicContact NH2-OE1 2.71Å; R81-E157 PolarHBondContact NH2-OE1 3.19Å; R81-E157 VanDerWaalsContact NH2-OE1 3.1Å; R81-E157 IonicContact NH2-OE2 3.43Å; R81-E157 PolarHBondContact NH2-OE2 3.1Å
82K95.4Very high84Confident130 Ų13064.9 Ų64.957%0.56533%0.327SS*.EExtended strand (participates in β ladder)trans-84.7120.6173.4-64.6-176.8-177.3170.90110.5L114 I129K82-L114 CarbonylContact C-O 3.49Å; K82-L114 WeakPolarHBondContact CA-O 3.49Å; K82-I129 HydrophobicContact CD-CD1 3.99Å; K82-I129 HydrophobicContact CG-CD1 4.05Å
83R96.4Very high85.7Confident20 Ų2061 Ų618%0.07530%0.3CS..EExtended strand (participates in β ladder)trans-145.1163.1-174-59.2-64.4163.161.34.1112.5H75 R81 L114 I116 P206 M207H75-R83 PolarHBondContact O-NH1 2.8Å; H75-R83 PolarHBondContact O-NH2 2.91Å; R81-R83 HydrophobicContact CB-CG 4.4Å; R83-L114 PolarHBondContact N-O 2.81Å; R83-L114 WeakPolarHBondContact O-CA 3.34Å; R83-L114 WeakPolarHBondContact O-CB 3.42Å; R83-L114 PolarHBondContact O-N 3.27Å; R83-L114 VanDerWaalsContact O-O 3.07Å; R83-I116 HydrophobicContact CB-CD1 4.13Å; R83-I116 HydrophobicContact CG-CD1 4.24Å; R83-P206 HydrophobicContact CG-CB 4.45Å; R83-M207 CarbonylContact C-O 3.57Å; R83-M207 WeakPolarHBondContact CA-O 3.25Å; R83-M207 WeakPolarHBondContact CB-O 3.21Å; R83-M207 VanDerWaalsContact CD-O 3.29Å; R83-M207 WeakPolarHBondContact CD-O 3.26Å
84K97.7Very high87.3Confident35 Ų3558.8 Ų58.815%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-104.4139.8156.8-66.9175.1-175.4174.20108.6F92 E107 M207 V209K84-F92 HydrophobicContact CB-CD1 3.83Å; K84-F92 HydrophobicContact CB-CE1 4.15Å; K84-F92 HydrophobicContact CD-CD1 4.06Å; K84-F92 HydrophobicContact CD-CE1 4.03Å; K84-F92 HydrophobicContact CG-CD1 4.43Å; K84-E107 PolarHBondContact NZ-O 2.64Å; K84-M207 HydrophobicContact CB-CB 4.42Å; K84-M207 PolarHBondContact N-O 3.12Å; K84-M207 PolarHBondContact O-N 2.87Å; K84-V209 HydrophobicContact CG-CG2 3.91Å
85L98.4Very high89Confident1 Ų153.1 Ų53.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-97.4101.6172.6-69.5-179.9000109.5F92 L93 L114 I116 V126 Y167 F204 P206L85-F92 WeakPolarHBondContact O-CA 3.43Å; L85-L93 HydrophobicContact CB-CB 4.1Å; L85-L93 HydrophobicContact CD1-CD2 4.09Å; L85-L93 PolarHBondContact O-N 3.14Å; L85-L114 HydrophobicContact CB-CD1 4.05Å; L85-L114 HydrophobicContact CD1-CD1 3.79Å; L85-L114 HydrophobicContact CG-CD1 3.81Å; L85-I116 HydrophobicContact CD2-CD1 4Å; L85-I116 HydrophobicContact CG-CD1 4.44Å; L85-V126 HydrophobicContact CD1-CG1 4.25Å; L85-Y167 HydrophobicContact CD1-CD2 4.49Å; L85-Y167 HydrophobicContact CD1-CE2 3.99Å; L85-Y167 HydrophobicContact CD2-CE2 3.86Å; L85-Y167 WeakPolarHBondContact CD2-OH 3.33Å; L85-F204 HydrophobicContact CB-CB 4.34Å; L85-F204 HydrophobicContact CB-CD1 4.08Å; L85-F204 HydrophobicContact CD2-CB 4.43Å; L85-P206 HydrophobicContact CD2-CB 4.16Å; L85-P206 HydrophobicContact CD2-CG 4.18Å
86Y98.4Very high90.8Very high52 Ų5252.1 Ų52.120%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-90.9108180-172.3-115.5000110.8K90 F92 F204 L205 M207Y86-K90 HydrophobicContact CE1-CD 3.88Å; Y86-K90 WeakPolarHBondContact OH-CA 3.4Å; Y86-K90 WeakPolarHBondContact OH-CB 3.47Å; Y86-K90 WeakPolarHBondContact OH-CD 3.38Å; Y86-F92 AromaticContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD2 4.26Å; Y86-F92 AromaticContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE1 3.49Å; Y86-F92 VanDerWaalsContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE2 4.06Å; Y86-F92 HydrophobicContact CD2-CG 4.08Å; Y86-F92 AromaticContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CE2-CD2 4.5Å; Y86-F92 HydrophobicContact CE2-CE1 4.27Å; Y86-F92 HydrophobicContact CE2-CE2 4.11Å; Y86-F92 HydrophobicContact CE2-CZ 4Å; Y86-F92 HydrophobicContact CG-CD1 4.36Å; Y86-F92 HydrophobicContact CG-CE1 4.08Å; Y86-F204 CarbonylContact O-C 3.41Å; Y86-F204 WeakPolarHBondContact O-CA 3.4Å; Y86-L205 PolarHBondContact N-O 3.44Å; Y86-L205 PolarHBondContact O-N 2.98Å; Y86-M207 VanDerWaalsContact CB-SD 3.56Å; Y86-M207 HydrophobicContact CD1-SD 4.36Å; Y86-M207 HydrophobicContact CG-SD 3.95Å
87S98.5Very high92.5Very high1 Ų155.9 Ų55.91%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-65.5151.9179.563.40000112.1N89 K90 Y91 H203S87-N89 PolarHBondContact O-N 3.15Å; S87-N89 VanDerWaalsContact O-N 3.14Å; S87-K90 PolarHBondContact O-N 3.1Å; S87-Y91 WeakPolarHBondContact CB-O 3.2Å; S87-Y91 PolarHBondContact N-O 2.91Å; S87-Y91 WeakPolarHBondContact OG-CB 3.37Å; S87-Y91 PolarHBondContact OG-N 2.63Å; S87-Y91 VanDerWaalsContact OG-N 3.08Å; S87-Y91 PolarHBondContact OG-O 2.84Å; S87-H203 WeakPolarHBondContact CA-O 3.25Å
88Y97.9Very high94.5Very high100 Ų10055.6 Ų55.639%0.39227%0.273SS..THydrogen-bonded Turntrans-52.9-34.9172-170.6-85.2000112.5K90 Y164 T200 H203Y88-K90 PolarHBondContact O-N 3.24Å; Y88-Y164 HydrophobicContact CD2-CD2 4.49Å; Y88-Y164 HydrophobicContact CD2-CE1 4.18Å; Y88-Y164 HydrophobicContact CD2-CE2 4.02Å; Y88-Y164 AromaticContact CD2-CZ 3.87Å; Y88-Y164 HydrophobicContact CE2-CE2 4.43Å; Y88-T200 VanDerWaalsContact CB-O 3.32Å; Y88-T200 WeakPolarHBondContact CB-O 3.28Å; Y88-T200 VanDerWaalsContact CD1-CB 3.47Å; Y88-T200 HydrophobicContact CD1-CG2 4.06Å; Y88-T200 HydrophobicContact CD2-CG2 4.32Å; Y88-T200 HydrophobicContact CE1-CG2 3.87Å; Y88-T200 HydrophobicContact CE2-CG2 4.15Å; Y88-T200 HydrophobicContact CG-CG2 4.27Å; Y88-H203 PolarHBondContact N-O 2.92Å
89N97.6Very high96.3Very high42 Ų4253.4 Ų53.423%0.22525%0.251CS..THydrogen-bonded Turntrans-74.114.4176.5-68.5-25.1000114.2S87 Y91 L183S87-N89 PolarHBondContact O-N 3.15Å; S87-N89 VanDerWaalsContact O-N 3.14Å; N89-Y91 HydrophobicContact CB-CD2 4.22Å; N89-Y91 WeakPolarHBondContact O-CD2 3.46Å; N89-Y91 VanDerWaalsContact O-CE2 3.27Å; N89-Y91 WeakPolarHBondContact O-CE2 3.49Å; N89-L183 PolarHBondContact ND2-O 2.93Å
90K98.1Very high97.4Very high116 Ų11653 Ų5350%0.50424%0.243SC..SBendtrans66.538.2174-46.7-63.6177.8173.70114.4Y86 S87 Y88Y86-K90 HydrophobicContact CE1-CD 3.88Å; Y86-K90 WeakPolarHBondContact OH-CA 3.4Å; Y86-K90 WeakPolarHBondContact OH-CB 3.47Å; Y86-K90 WeakPolarHBondContact OH-CD 3.38Å; S87-K90 PolarHBondContact O-N 3.1Å; Y88-K90 PolarHBondContact O-N 3.24Å
91Y98.6Very high97.8Very high33 Ų3349.6 Ų49.613%0.12922%0.222CC..  trans-126.3138.8172.7-66.9-92.3000111.6S87 N89 K105 G185S87-Y91 WeakPolarHBondContact CB-O 3.2Å; S87-Y91 PolarHBondContact N-O 2.91Å; S87-Y91 WeakPolarHBondContact OG-CB 3.37Å; S87-Y91 PolarHBondContact OG-N 2.63Å; S87-Y91 VanDerWaalsContact OG-N 3.08Å; S87-Y91 PolarHBondContact OG-O 2.84Å; N89-Y91 HydrophobicContact CB-CD2 4.22Å; N89-Y91 WeakPolarHBondContact O-CD2 3.46Å; N89-Y91 VanDerWaalsContact O-CE2 3.27Å; N89-Y91 WeakPolarHBondContact O-CE2 3.49Å; Y91-K105 HydrophobicContact CD1-CG 3.84Å; Y91-K105 HydrophobicContact CE1-CD 4.29Å; Y91-K105 HydrophobicContact CE1-CG 3.71Å; Y91-G185 PolarHBondContact OH-O 2.85Å
92F98.7Very high98.1Very high13 Ų1349.5 Ų49.56%0.05722%0.224CC..EExtended strand (participates in β ladder)trans-76.4128.6163.3-61-75000110.2K84 L85 Y86 K94 G103 T104 E107 M207K84-F92 HydrophobicContact CB-CD1 3.83Å; K84-F92 HydrophobicContact CB-CE1 4.15Å; K84-F92 HydrophobicContact CD-CD1 4.06Å; K84-F92 HydrophobicContact CD-CE1 4.03Å; K84-F92 HydrophobicContact CG-CD1 4.43Å; L85-F92 WeakPolarHBondContact O-CA 3.43Å; Y86-F92 AromaticContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD1 3.68Å; Y86-F92 HydrophobicContact CD2-CD2 4.26Å; Y86-F92 AromaticContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE1 3.49Å; Y86-F92 VanDerWaalsContact CD2-CE1 3.49Å; Y86-F92 HydrophobicContact CD2-CE2 4.06Å; Y86-F92 HydrophobicContact CD2-CG 4.08Å; Y86-F92 AromaticContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CD2-CZ 3.69Å; Y86-F92 HydrophobicContact CE2-CD2 4.5Å; Y86-F92 HydrophobicContact CE2-CE1 4.27Å; Y86-F92 HydrophobicContact CE2-CE2 4.11Å; Y86-F92 HydrophobicContact CE2-CZ 4Å; Y86-F92 HydrophobicContact CG-CD1 4.36Å; Y86-F92 HydrophobicContact CG-CE1 4.08Å; F92-K94 PolarHBondContact O-N 3Å; F92-G103 CarbonylContact O-C 3.56Å; F92-G103 VanDerWaalsContact O-CA 3.29Å; F92-G103 WeakPolarHBondContact O-CA 3.4Å; F92-T104 HydrophobicContact CB-CG2 4.03Å; F92-T104 PolarHBondContact N-O 3.29Å; F92-T104 PolarHBondContact O-N 2.91Å; F92-E107 HydrophobicContact CE2-CB 4.37Å; F92-E107 HydrophobicContact CE2-CG 3.79Å; F92-E107 HydrophobicContact CZ-CG 4.24Å; F92-M207 HydrophobicContact CE1-SD 3.76Å; F92-M207 HydrophobicContact CZ-SD 4.38Å
93L98.8Very high98.2Very high0 Ų044 Ų440%020%0.204CC..EExtended strand (participates in β ladder)trans-64.4130.1171.6-170.674.8000109.5L85 V101 S112 L114 L135 L183 F204L85-L93 HydrophobicContact CB-CB 4.1Å; L85-L93 HydrophobicContact CD1-CD2 4.09Å; L85-L93 PolarHBondContact O-N 3.14Å; L93-V101 HydrophobicContact CD1-CG1 3.68Å; L93-V101 HydrophobicContact CG-CG1 4.34Å; L93-S112 WeakPolarHBondContact O-CA 3.47Å; L93-S112 WeakPolarHBondContact O-CB 3.38Å; L93-L114 HydrophobicContact CB-CD1 4.41Å; L93-L114 HydrophobicContact CD2-CD1 4.17Å; L93-L135 HydrophobicContact CD2-CD1 4.18Å; L93-L135 HydrophobicContact CD2-CD2 3.64Å; L93-L183 HydrophobicContact CD1-CD1 4.04Å; L93-L183 HydrophobicContact CD1-CD2 4Å; L93-L183 HydrophobicContact CD1-CG 4.18Å; L93-F204 HydrophobicContact CB-CE1 4.33Å; L93-F204 HydrophobicContact CD1-CE1 4.33Å
94K98.6Very high98.3Very high35 Ų3543.7 Ų43.715%0.15221%0.205CC..EExtended strand (participates in β ladder)trans-128.5151174.163.2162.7178.4168.30111.8F92 E96 V101 S102 T104 F111F92-K94 PolarHBondContact O-N 3Å; K94-E96 HydrophobicContact CD-CG 4.31Å; K94-E96 WeakPolarHBondContact CE-OE1 3.39Å; K94-E96 IonicContact NZ-OE1 2.7Å; K94-E96 PolarHBondContact NZ-OE1 3.27Å; K94-V101 WeakPolarHBondContact O-CA 3.45Å; K94-S102 WeakPolarHBondContact CE-OG 3.21Å; K94-S102 VanDerWaalsContact CG-O 3.27Å; K94-S102 WeakPolarHBondContact CG-O 3.23Å; K94-S102 PolarHBondContact N-O 3.07Å; K94-S102 PolarHBondContact O-N 2.89Å; K94-S102 VanDerWaalsContact O-N 3.09Å; K94-T104 HydrophobicContact CB-CG2 4.23Å; K94-T104 HydrophobicContact CD-CG2 4.06Å; K94-T104 HydrophobicContact CG-CG2 4.16Å; K94-F111 VanDerWaalsContact CA-O 3.3Å; K94-F111 WeakPolarHBondContact CA-O 3.15Å; K94-F111 HydrophobicContact CB-CB 4.03Å
95I98.8Very high98.3Very high0 Ų048.9 Ų48.90%023%0.228CC..EExtended strand (participates in β ladder)trans-125.1112173.6-43.9178.7000108.7V101 F111 L114 S131 Y133 L135I95-V101 HydrophobicContact CG1-CG2 4.22Å; I95-V101 HydrophobicContact CG2-CG2 4.13Å; I95-F111 PolarHBondContact N-O 2.74Å; I95-F111 VanDerWaalsContact N-O 3.15Å; I95-F111 WeakPolarHBondContact O-CD1 3.16Å; I95-L114 HydrophobicContact CD1-CD2 4.48Å; I95-S131 WeakPolarHBondContact O-CB 3.49Å; I95-S131 PolarHBondContact O-OG 3.15Å; I95-Y133 HydrophobicContact CG2-CG 4.34Å; I95-L135 HydrophobicContact CD1-CB 3.92Å; I95-L135 HydrophobicContact CD1-CD1 4.41Å
96E98.4Very high98.2Very high46 Ų4656.4 Ų56.422%0.21526%0.26CS..  trans-79167.7-176.1-65.4-179.6153.500112.2K94 N98 G99 K100K94-E96 HydrophobicContact CD-CG 4.31Å; K94-E96 WeakPolarHBondContact CE-OE1 3.39Å; K94-E96 IonicContact NZ-OE1 2.7Å; K94-E96 PolarHBondContact NZ-OE1 3.27Å; E96-N98 WeakPolarHBondContact CB-OD1 3.32Å; E96-N98 PolarHBondContact O-N 3.48Å; E96-N98 VanDerWaalsContact O-N 3.15Å; E96-G99 PolarHBondContact O-N 2.88Å; E96-K100 PolarHBondContact N-O 2.87Å
97K97.9Very high98Very high145 Ų14560.2 Ų60.263%0.6328%0.28SS*.THydrogen-bonded Turntrans-62.7-19.1-178.9-65.4-172.6177.1-178.80114.4G99 F111 Y133K97-G99 VanDerWaalsContact C-N 3.31Å; K97-F111 HydrophobicContact CD-CZ 4.5Å; K97-F111 HydrophobicContact CG-CE1 3.66Å; K97-F111 HydrophobicContact CG-CZ 3.99Å; K97-Y133 VanDerWaalsContact O-CE2 3.26Å; K97-Y133 WeakPolarHBondContact O-CE2 3.38Å
98N97.4Very high97.7Very high113 Ų11367.1 Ų67.160%0.60432%0.317SS*.THydrogen-bonded Turntrans-89.97.3175.961.75.2000112.8E96 K100E96-N98 WeakPolarHBondContact CB-OD1 3.32Å; E96-N98 PolarHBondContact O-N 3.48Å; E96-N98 VanDerWaalsContact O-N 3.15Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.26Å; N98-K100 WeakPolarHBondContact OD1-CB 3.37Å; N98-K100 PolarHBondContact OD1-N 3.09Å
99G97.9Very high97.7Very high10 Ų1063.1 Ų63.110%0.10330%0.303CS..SBendtrans74.78.8-175.600000114.3E96 K97 V101 G145E96-G99 PolarHBondContact O-N 2.88Å; K97-G99 VanDerWaalsContact C-N 3.31Å; G99-V101 PolarHBondContact O-N 2.77Å; G99-G145 WeakPolarHBondContact O-CA 3.49Å; G99-G145 PolarHBondContact O-N 2.91Å
100K98.4Very high97.6Very high125 Ų12563.9 Ų63.954%0.54331%0.31SS..  trans-75.1127.5174.7-173.4178.9176.8-176.10110.3E96 N98E96-K100 PolarHBondContact N-O 2.87Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.26Å; N98-K100 WeakPolarHBondContact OD1-CB 3.37Å; N98-K100 PolarHBondContact OD1-N 3.09Å
101V98.8Very high97.6Very high6 Ų660.5 Ų60.54%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-99.8130.3174.4-176.50000109.1L93 K94 I95 G99 L135 V143 T189L93-V101 HydrophobicContact CD1-CG1 3.68Å; L93-V101 HydrophobicContact CG-CG1 4.34Å; K94-V101 WeakPolarHBondContact O-CA 3.45Å; I95-V101 HydrophobicContact CG1-CG2 4.22Å; I95-V101 HydrophobicContact CG2-CG2 4.13Å; G99-V101 PolarHBondContact O-N 2.77Å; V101-L135 HydrophobicContact CG1-CD1 3.81Å; V101-L135 HydrophobicContact CG2-CD1 4Å; V101-V143 HydrophobicContact CB-CG1 4.03Å; V101-V143 HydrophobicContact CG1-CG1 3.87Å; V101-V143 HydrophobicContact CG2-CG1 4.17Å; V101-T189 HydrophobicContact CB-CG2 3.98Å; V101-T189 HydrophobicContact CG1-CG2 3.77Å; V101-T189 VanDerWaalsContact O-CG2 3.26Å; V101-T189 WeakPolarHBondContact O-CG2 3.46Å
102S98.6Very high97.6Very high16 Ų1659 Ų5911%0.11229%0.29CS..EExtended strand (participates in β ladder)trans-158.8176.5177.153.70000110.9K94K94-S102 WeakPolarHBondContact CE-OG 3.21Å; K94-S102 VanDerWaalsContact CG-O 3.27Å; K94-S102 WeakPolarHBondContact CG-O 3.23Å; K94-S102 PolarHBondContact N-O 3.07Å; K94-S102 PolarHBondContact O-N 2.89Å; K94-S102 VanDerWaalsContact O-N 3.09Å
103G98.6Very high97.6Very high14 Ų1460.8 Ų60.814%0.14430%0.3CS..EExtended strand (participates in β ladder)trans-95.5150172.800000112.1F92 G187F92-G103 CarbonylContact O-C 3.56Å; F92-G103 VanDerWaalsContact O-CA 3.29Å; F92-G103 WeakPolarHBondContact O-CA 3.4Å; G103-G187 WeakPolarHBondContact CA-O 3.47Å; G103-G187 PolarHBondContact N-O 2.82Å
104T98.3Very high97.6Very high15 Ų1560.8 Ų60.89%0.09230%0.3CS..EExtended strand (participates in β ladder)trans-131.8146.3169.9-178.70000110.3F92 K94 K106 C109F92-T104 HydrophobicContact CB-CG2 4.03Å; F92-T104 PolarHBondContact N-O 3.29Å; F92-T104 PolarHBondContact O-N 2.91Å; K94-T104 HydrophobicContact CB-CG2 4.23Å; K94-T104 HydrophobicContact CD-CG2 4.06Å; K94-T104 HydrophobicContact CG-CG2 4.16Å; T104-K106 PolarHBondContact OG1-N 3.14Å; T104-K106 VanDerWaalsContact OG1-N 3.14Å; T104-C109 HydrophobicContact CG2-CB 3.76Å
105K97.8Very high97.5Very high144 Ų14461.6 Ų61.663%0.62630%0.304SS*.  trans-89.2-13.1169.9-65.8-173.8176.5-177.20112.6Y91 E107Y91-K105 HydrophobicContact CD1-CG 3.84Å; Y91-K105 HydrophobicContact CE1-CD 4.29Å; Y91-K105 HydrophobicContact CE1-CG 3.71Å; K105-E107 PolarHBondContact O-N 3.4Å
106K96.6Very high97.5Very high158 Ų15861.6 Ų61.669%0.68730%0.304SS*.  trans-69.7114.5178.6-61-174.4178.8-171.50110T104 N108 C109T104-K106 PolarHBondContact OG1-N 3.14Å; T104-K106 VanDerWaalsContact OG1-N 3.14Å; K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 3.04Å; K106-C109 HydrophobicContact CB-CB 4.24Å; K106-C109 WeakPolarHBondContact O-CB 3.29Å; K106-C109 PolarHBondContact O-N 2.92Å
107E93.1Very high97.4Very high132 Ų13261.4 Ų61.462%0.61731%0.306SS*.THydrogen-bonded Turntrans-62.3-39.8179.5-68.8177.1-173.300112.2K84 F92 K105 C109K84-E107 PolarHBondContact NZ-O 2.64Å; F92-E107 HydrophobicContact CE2-CB 4.37Å; F92-E107 HydrophobicContact CE2-CG 3.79Å; F92-E107 HydrophobicContact CZ-CG 4.24Å; K105-E107 PolarHBondContact O-N 3.4Å; E107-C109 VanDerWaalsContact C-N 3.25Å; E107-C109 PolarHBondContact O-N 3.01Å
108N93.7Very high97.3Very high147 Ų14757.6 Ų57.679%0.78630%0.298SS*.THydrogen-bonded Turntrans-89.122.6-177-62.2-18.6000113.3K106 P110K106-N108 VanDerWaalsContact C-N 3.33Å; K106-N108 PolarHBondContact O-N 3.04Å; N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.27Å
109C96.4Very high97.1Very high15 Ų1554.9 Ų54.910%0.10129%0.285CS..  trans-72.1116.5178.6-172.50000110.6T104 K106 E107 F111 S112T104-C109 HydrophobicContact CG2-CB 3.76Å; K106-C109 HydrophobicContact CB-CB 4.24Å; K106-C109 WeakPolarHBondContact O-CB 3.29Å; K106-C109 PolarHBondContact O-N 2.92Å; E107-C109 VanDerWaalsContact C-N 3.25Å; E107-C109 PolarHBondContact O-N 3.01Å; C109-F111 PolarHBondContact O-N 3.02Å; C109-S112 WeakPolarHBondContact O-CB 3.41Å; C109-S112 PolarHBondContact O-N 2.98Å; C109-S112 PolarHBondContact O-OG 2.97Å
110P96.8Very high96.9Very high58 Ų5858.6 Ų58.638%0.37730%0.3SS..G310 helixtrans-67.8-24.5-175.928-36.2000112.6N108 S112 I113 K130N108-P110 VanDerWaalsContact O-CD 3.28Å; N108-P110 WeakPolarHBondContact O-CD 3.27Å; P110-S112 PolarHBondContact O-N 2.86Å; P110-I113 PolarHBondContact O-N 3.05Å; P110-K130 HydrophobicContact CB-CB 4.32Å; P110-K130 HydrophobicContact CB-CD 4.47Å; P110-K130 HydrophobicContact CB-CG 4.07Å; P110-K130 HydrophobicContact CG-CG 4.43Å; P110-K130 WeakPolarHBondContact O-CB 3.21Å
111F98.2Very high96.6Very high46 Ų4661.1 Ų61.120%0.20232%0.317CS..G310 helixtrans-74.4-6.4175.9-60.4-70.1000114.2K94 I95 K97 C109 S128 K130K94-F111 VanDerWaalsContact CA-O 3.3Å; K94-F111 WeakPolarHBondContact CA-O 3.15Å; K94-F111 HydrophobicContact CB-CB 4.03Å; I95-F111 PolarHBondContact N-O 2.74Å; I95-F111 VanDerWaalsContact N-O 3.15Å; I95-F111 WeakPolarHBondContact O-CD1 3.16Å; K97-F111 HydrophobicContact CD-CZ 4.5Å; K97-F111 HydrophobicContact CG-CE1 3.66Å; K97-F111 HydrophobicContact CG-CZ 3.99Å; C109-F111 PolarHBondContact O-N 3.02Å; F111-S128 PolarHBondContact O-OG 3.31Å; F111-K130 HydrophobicContact CD1-CB 4Å; F111-K130 HydrophobicContact CD1-CG 3.9Å; F111-K130 HydrophobicContact CE1-CB 4.27Å; F111-K130 HydrophobicContact CE1-CG 3.69Å; F111-K130 HydrophobicContact CZ-CG 4.26Å
112S98.1Very high96.4Very high0 Ų062.6 Ų62.60%033%0.333CS..G310 helixtrans-97.4-3.317772.40000113.7L93 C109 P110 L114L93-S112 WeakPolarHBondContact O-CA 3.47Å; L93-S112 WeakPolarHBondContact O-CB 3.38Å; C109-S112 WeakPolarHBondContact O-CB 3.41Å; C109-S112 PolarHBondContact O-N 2.98Å; C109-S112 PolarHBondContact O-OG 2.97Å; P110-S112 PolarHBondContact O-N 2.86Å; S112-L114 PolarHBondContact O-N 3.36Å
113I97.9Very high96.3Very high51 Ų5162.1 Ų62.126%0.26233%0.33SS..  trans-82.1111.3173.7-55.7175.6000107.5P110 I129 V209P110-I113 PolarHBondContact O-N 3.05Å; I113-I129 HydrophobicContact CG2-CD1 3.81Å; I113-I129 HydrophobicContact CG2-CG1 4.4Å; I113-I129 PolarHBondContact O-N 2.83Å; I113-I129 VanDerWaalsContact O-N 3.1Å; I113-V209 HydrophobicContact CG2-CG2 4.42Å
114L98.4Very high96.3Very high0 Ų061.6 Ų61.60%032%0.324CS..EExtended strand (participates in β ladder)trans-113.5137.1-173.3-52.9176.8000110K82 R83 L85 L93 I95 S112 V126 K127K82-L114 CarbonylContact C-O 3.49Å; K82-L114 WeakPolarHBondContact CA-O 3.49Å; R83-L114 PolarHBondContact N-O 2.81Å; R83-L114 WeakPolarHBondContact O-CA 3.34Å; R83-L114 WeakPolarHBondContact O-CB 3.42Å; R83-L114 PolarHBondContact O-N 3.27Å; R83-L114 VanDerWaalsContact O-O 3.07Å; L85-L114 HydrophobicContact CB-CD1 4.05Å; L85-L114 HydrophobicContact CD1-CD1 3.79Å; L85-L114 HydrophobicContact CG-CD1 3.81Å; L93-L114 HydrophobicContact CB-CD1 4.41Å; L93-L114 HydrophobicContact CD2-CD1 4.17Å; I95-L114 HydrophobicContact CD1-CD2 4.48Å; S112-L114 PolarHBondContact O-N 3.36Å; L114-V126 HydrophobicContact CB-CG1 3.99Å; L114-V126 HydrophobicContact CD1-CG1 3.86Å; L114-V126 HydrophobicContact CG-CG1 4.34Å; L114-K127 CarbonylContact C-O 3.55Å; L114-K127 VanDerWaalsContact CA-O 3.26Å; L114-K127 WeakPolarHBondContact CA-O 3.44Å
115E97.7Very high96.3Very high53 Ų5361.1 Ų61.125%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-93.8122.8165.8-176.2174.783.300107.9V80 V126 K127 I129V80-E115 HydrophobicContact CG1-CG 3.33Å; E115-V126 CarbonylContact O-C 3.55Å; E115-V126 WeakPolarHBondContact O-CA 3.28Å; E115-K127 PolarHBondContact N-O 2.99Å; E115-K127 PolarHBondContact O-N 2.92Å; E115-I129 HydrophobicContact CB-CD1 4.35Å; E115-I129 HydrophobicContact CB-CG1 4.02Å
116I97.7Very high96.3Very high0 Ų054.3 Ų54.30%029%0.292CS..EExtended strand (participates in β ladder)trans-110.9119.7175.6-46.7172.9000107.8R81 R83 L85 V124 A125 V126R81-I116 HydrophobicContact CG-CB 3.9Å; R81-I116 WeakPolarHBondContact CG-O 3.24Å; R81-I116 PolarHBondContact N-O 3.1Å; R81-I116 PolarHBondContact O-N 2.79Å; R83-I116 HydrophobicContact CB-CD1 4.13Å; R83-I116 HydrophobicContact CG-CD1 4.24Å; L85-I116 HydrophobicContact CD2-CD1 4Å; L85-I116 HydrophobicContact CG-CD1 4.44Å; I116-V124 HydrophobicContact CG2-CB 3.7Å; I116-V124 HydrophobicContact CG2-CG1 4.04Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å; I116-A125 WeakPolarHBondContact CA-O 3.46Å; I116-V126 HydrophobicContact CG1-CG1 4.26Å; I116-V126 HydrophobicContact CG1-CG2 4.16Å; I116-V126 HydrophobicContact CG2-CG2 4.03Å
117T96.7Very high96.4Very high42 Ų4248.8 Ų48.826%0.25827%0.268SS..EExtended strand (participates in β ladder)trans-115.9133.2-176.5-54.50000109.5D79 V80 V124 A125D79-T117 WeakPolarHBondContact O-CA 3.42Å; V80-T117 HydrophobicContact CG2-CG2 4.08Å; T117-V124 CarbonylContact O-C 3.54Å; T117-V124 VanDerWaalsContact O-CA 3.23Å; T117-V124 WeakPolarHBondContact O-CA 3.39Å; T117-A125 PolarHBondContact N-O 3.46Å; T117-A125 PolarHBondContact O-N 2.88Å
118S95.1Very high96.7Very high65 Ų6542.5 Ų42.546%0.45524%0.239SC..EExtended strand (participates in β ladder)trans-71.1127.4173.2-168.30000109.6D79D79-S118 PolarHBondContact O-N 2.93Å; D79-S118 VanDerWaalsContact O-N 3.1Å
119V94.6Very high96.9Very high56 Ų5638.6 Ų38.634%0.33922%0.217SC..EExtended strand (participates in β ladder)trans-104.9-43.2177.4-175.60000110.1V123 A125 F149V119-V123 PolarHBondContact N-O 3.21Å; V119-A125 HydrophobicContact CG2-CB 3.74Å; V119-F149 HydrophobicContact CG1-CZ 4.12Å; V119-F149 HydrophobicContact CG2-CE2 4.39Å; V119-F149 HydrophobicContact CG2-CZ 4.11Å
120E93.2Very high96.9Very high88 Ų8843.6 Ų43.641%0.41124%0.237SC..EExtended strand (participates in β ladder)trans-146.8171.9177-59.6161.5-149.600107.9G122 V123 K154E120-G122 PolarHBondContact O-N 2.95Å; E120-V123 HydrophobicContact CB-CB 4Å; E120-V123 HydrophobicContact CB-CG2 4.19Å; E120-V123 PolarHBondContact N-O 3.35Å; E120-V123 PolarHBondContact O-N 2.9Å; E120-K154 IonicContact OE1-NZ 3.4Å; E120-K154 PolarHBondContact OE1-NZ 3.44Å
121I92.6Very high97Very high178 Ų17841.6 Ų41.691%0.91322%0.224SC*.THydrogen-bonded Turntrans-57.5112.8-179.6-60.3173.2000110.7V123I121-V123 PolarHBondContact O-N 3.02Å
122G94.1Very high97Very high36 Ų3643.8 Ų43.837%0.37124%0.238SC..THydrogen-bonded Turntrans72.112.8-178.300000114.7E120 K156 E157E120-G122 PolarHBondContact O-N 2.95Å; G122-K156 CarbonylContact O-C 3.52Å; G122-K156 WeakPolarHBondContact O-CA 3.49Å; G122-E157 PolarHBondContact O-N 2.68Å
123V97.4Very high97Very high6 Ų646 Ų464%0.03625%0.247CC..EExtended strand (participates in β ladder)trans-120.3131.6176.2-177.40000109.3V119 E120 I121 K154 L155 L170V119-V123 PolarHBondContact N-O 3.21Å; E120-V123 HydrophobicContact CB-CB 4Å; E120-V123 HydrophobicContact CB-CG2 4.19Å; E120-V123 PolarHBondContact N-O 3.35Å; E120-V123 PolarHBondContact O-N 2.9Å; I121-V123 PolarHBondContact O-N 3.02Å; V123-K154 HydrophobicContact CG1-CB 3.93Å; V123-K154 HydrophobicContact CG1-CG 4.45Å; V123-L155 CarbonylContact C-O 3.49Å; V123-L155 WeakPolarHBondContact CA-O 3.4Å; V123-L170 HydrophobicContact CG1-CD2 4Å; V123-L170 HydrophobicContact CG2-CD1 3.88Å; V123-L170 HydrophobicContact CG2-CD2 4.19Å
124V97.9Very high97.1Very high4 Ų446.1 Ų46.12%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-128151.9-174.4-56.20000111.2I116 T117 V126 L155 E157 Y167I116-V124 HydrophobicContact CG2-CB 3.7Å; I116-V124 HydrophobicContact CG2-CG1 4.04Å; I116-V124 HydrophobicContact CG2-CG2 3.94Å; T117-V124 CarbonylContact O-C 3.54Å; T117-V124 VanDerWaalsContact O-CA 3.23Å; T117-V124 WeakPolarHBondContact O-CA 3.39Å; V124-V126 HydrophobicContact CG2-CG2 4.09Å; V124-L155 HydrophobicContact CG2-CB 4.24Å; V124-L155 WeakPolarHBondContact CG2-O 3.4Å; V124-L155 PolarHBondContact N-O 3.47Å; V124-L155 PolarHBondContact O-N 3.07Å; V124-E157 HydrophobicContact CG1-CB 4.14Å; V124-E157 HydrophobicContact CG2-CB 4.15Å; V124-Y167 HydrophobicContact CG2-CD1 4.03Å; V124-Y167 HydrophobicContact CG2-CE1 3.99Å
125A98.3Very high97.1Very high5 Ų546.1 Ų46.14%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-101.2136.1159.800000108I116 T117 V119 Y134 F149I116-A125 WeakPolarHBondContact CA-O 3.46Å; T117-A125 PolarHBondContact N-O 3.46Å; T117-A125 PolarHBondContact O-N 2.88Å; V119-A125 HydrophobicContact CG2-CB 3.74Å; A125-Y134 HydrophobicContact CB-CD1 4.33Å; A125-Y134 HydrophobicContact CB-CE1 4.46Å; A125-F149 HydrophobicContact CB-CD2 4.19Å; A125-F149 HydrophobicContact CB-CE2 3.71Å
126V98.7Very high97.2Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-117.1121.5176.7-179.60000107.9L85 L114 E115 I116 V124 Y134 L135 L155L85-V126 HydrophobicContact CD1-CG1 4.25Å; L114-V126 HydrophobicContact CB-CG1 3.99Å; L114-V126 HydrophobicContact CD1-CG1 3.86Å; L114-V126 HydrophobicContact CG-CG1 4.34Å; E115-V126 CarbonylContact O-C 3.55Å; E115-V126 WeakPolarHBondContact O-CA 3.28Å; I116-V126 HydrophobicContact CG1-CG1 4.26Å; I116-V126 HydrophobicContact CG1-CG2 4.16Å; I116-V126 HydrophobicContact CG2-CG2 4.03Å; V124-V126 HydrophobicContact CG2-CG2 4.09Å; V126-Y134 CarbonylContact O-C 3.54Å; V126-Y134 WeakPolarHBondContact O-CA 3.49Å; V126-L135 HydrophobicContact CB-CB 3.99Å; V126-L135 HydrophobicContact CB-CD2 4.22Å; V126-L135 HydrophobicContact CG1-CB 4.33Å; V126-L135 HydrophobicContact CG1-CD2 4.32Å; V126-L135 PolarHBondContact O-N 2.77Å; V126-L155 HydrophobicContact CG2-CD1 4.27Å
127K98.6Very high97.2Very high43 Ų4343.6 Ų43.619%0.18723%0.232CC..EExtended strand (participates in β ladder)trans-122.9134.6-177.3-170.6-176.4-179.6-177.30110.6L114 E115 I129 N132 Y133 Y134L114-K127 CarbonylContact C-O 3.55Å; L114-K127 VanDerWaalsContact CA-O 3.26Å; L114-K127 WeakPolarHBondContact CA-O 3.44Å; E115-K127 PolarHBondContact N-O 2.99Å; E115-K127 PolarHBondContact O-N 2.92Å; K127-I129 PolarHBondContact O-N 2.79Å; K127-N132 VanDerWaalsContact CE-OD1 3.25Å; K127-N132 WeakPolarHBondContact CE-OD1 3.47Å; K127-N132 PolarHBondContact NZ-OD1 3.07Å; K127-Y133 CarbonylContact C-O 3.6Å; K127-Y133 WeakPolarHBondContact CA-O 3.47Å; K127-Y134 HydrophobicContact CB-CD1 3.81Å; K127-Y134 HydrophobicContact CB-CE1 3.88Å; K127-Y134 HydrophobicContact CD-CD1 4.37Å; K127-Y134 HydrophobicContact CD-CE1 3.8Å; K127-Y134 HydrophobicContact CD-CE2 4.26Å; K127-Y134 HydrophobicContact CG-CD1 4.08Å; K127-Y134 HydrophobicContact CG-CE1 4.02Å; K127-Y134 HydrophobicContact CG-CG 4.41Å
128S98.4Very high97.3Very high0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-77.3122.5168.4173.80000109.8F111 K130 S131 N132 Y133F111-S128 PolarHBondContact O-OG 3.31Å; S128-K130 VanDerWaalsContact C-N 3.33Å; S128-K130 PolarHBondContact O-N 3.27Å; S128-S131 VanDerWaalsContact CB-OG 3.27Å; S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 PolarHBondContact OG-OG 3.1Å; S128-S131 VanDerWaalsContact OG-OG 3.12Å; S128-N132 VanDerWaalsContact O-CA 3.29Å; S128-N132 WeakPolarHBondContact O-CA 3.18Å; S128-N132 PolarHBondContact O-N 2.88Å; S128-Y133 PolarHBondContact N-O 3.4Å
129I97.5Very high97.5Very high65 Ų6547.6 Ų47.633%0.33324%0.24SC..THydrogen-bonded Turntrans-63.6-42.5-178.1-60.4-176.7000110.1K82 I113 E115 K127K82-I129 HydrophobicContact CD-CD1 3.99Å; K82-I129 HydrophobicContact CG-CD1 4.05Å; I113-I129 HydrophobicContact CG2-CD1 3.81Å; I113-I129 HydrophobicContact CG2-CG1 4.4Å; I113-I129 PolarHBondContact O-N 2.83Å; I113-I129 VanDerWaalsContact O-N 3.1Å; E115-I129 HydrophobicContact CB-CD1 4.35Å; E115-I129 HydrophobicContact CB-CG1 4.02Å; K127-I129 PolarHBondContact O-N 2.79Å
130K98Very high97.6Very high120 Ų12052.4 Ų52.452%0.52226%0.256SS..THydrogen-bonded Turntrans-71.6-36.6-174.2-173.560.1176.5-178.30113.5P110 F111 S128P110-K130 HydrophobicContact CB-CB 4.32Å; P110-K130 HydrophobicContact CB-CD 4.47Å; P110-K130 HydrophobicContact CB-CG 4.07Å; P110-K130 HydrophobicContact CG-CG 4.43Å; P110-K130 WeakPolarHBondContact O-CB 3.21Å; F111-K130 HydrophobicContact CD1-CB 4Å; F111-K130 HydrophobicContact CD1-CG 3.9Å; F111-K130 HydrophobicContact CE1-CB 4.27Å; F111-K130 HydrophobicContact CE1-CG 3.69Å; F111-K130 HydrophobicContact CZ-CG 4.26Å; S128-K130 VanDerWaalsContact C-N 3.33Å; S128-K130 PolarHBondContact O-N 3.27Å
131S98.1Very high97.8Very high16 Ų1648.2 Ų48.211%0.11224%0.237CC..THydrogen-bonded Turntrans-100.3-11.1-177.361.50000113.7I95 S128 Y133I95-S131 WeakPolarHBondContact O-CB 3.49Å; I95-S131 PolarHBondContact O-OG 3.15Å; S128-S131 VanDerWaalsContact CB-OG 3.27Å; S128-S131 WeakPolarHBondContact CB-OG 3.43Å; S128-S131 PolarHBondContact OG-OG 3.1Å; S128-S131 VanDerWaalsContact OG-OG 3.12Å; S131-Y133 WeakPolarHBondContact O-CD2 3.38Å; S131-Y133 PolarHBondContact O-N 3.38Å
132N98.4Very high98.1Very high91 Ų9144.6 Ų44.649%0.48722%0.215SC..  trans58.622-174.4-77.1-59.8000114.9K127 S128K127-N132 VanDerWaalsContact CE-OD1 3.25Å; K127-N132 WeakPolarHBondContact CE-OD1 3.47Å; K127-N132 PolarHBondContact NZ-OD1 3.07Å; S128-N132 VanDerWaalsContact O-CA 3.29Å; S128-N132 WeakPolarHBondContact O-CA 3.18Å; S128-N132 PolarHBondContact O-N 2.88Å
133Y98.8Very high98.4Very high48 Ų4843.3 Ų43.319%0.18820%0.199CC..PPolyproline II helixtrans-96.2135.7175.1-82.2-90.5000111.6I95 K97 K127 S128 S131 G145 S146 K147I95-Y133 HydrophobicContact CG2-CG 4.34Å; K97-Y133 VanDerWaalsContact O-CE2 3.26Å; K97-Y133 WeakPolarHBondContact O-CE2 3.38Å; K127-Y133 CarbonylContact C-O 3.6Å; K127-Y133 WeakPolarHBondContact CA-O 3.47Å; S128-Y133 PolarHBondContact N-O 3.4Å; S131-Y133 WeakPolarHBondContact O-CD2 3.38Å; S131-Y133 PolarHBondContact O-N 3.38Å; Y133-G145 VanDerWaalsContact CD1-O 3.25Å; Y133-G145 WeakPolarHBondContact CD1-O 3.42Å; Y133-G145 WeakPolarHBondContact CE1-O 3.47Å; Y133-S146 CarbonylContact C-O 3.55Å; Y133-S146 WeakPolarHBondContact CA-O 3.43Å; Y133-S146 VanDerWaalsContact CD1-C 3.41Å; Y133-K147 HydrophobicContact CD1-CB 4.38Å; Y133-K147 HydrophobicContact CE1-CB 3.96Å
134Y98.8Very high98.4Very high52 Ų5245.6 Ų45.620%0.20421%0.208CC..EExtended strand (participates in β ladder)trans-79.1137.3167.8-64.7-84.6000110.8A125 V126 K127 A136 G145 S146 F149 C153A125-Y134 HydrophobicContact CB-CD1 4.33Å; A125-Y134 HydrophobicContact CB-CE1 4.46Å; V126-Y134 CarbonylContact O-C 3.54Å; V126-Y134 WeakPolarHBondContact O-CA 3.49Å; K127-Y134 HydrophobicContact CB-CD1 3.81Å; K127-Y134 HydrophobicContact CB-CE1 3.88Å; K127-Y134 HydrophobicContact CD-CD1 4.37Å; K127-Y134 HydrophobicContact CD-CE1 3.8Å; K127-Y134 HydrophobicContact CD-CE2 4.26Å; K127-Y134 HydrophobicContact CG-CD1 4.08Å; K127-Y134 HydrophobicContact CG-CE1 4.02Å; K127-Y134 HydrophobicContact CG-CG 4.41Å; Y134-A136 PolarHBondContact O-N 2.91Å; Y134-G145 CarbonylContact O-C 3.53Å; Y134-G145 VanDerWaalsContact O-CA 3.26Å; Y134-G145 WeakPolarHBondContact O-CA 3.42Å; Y134-S146 PolarHBondContact N-O 2.81Å; Y134-S146 PolarHBondContact O-N 3.09Å; Y134-F149 HydrophobicContact CD1-CD2 4.2Å; Y134-F149 HydrophobicContact CD2-CB 4.32Å; Y134-F149 HydrophobicContact CE1-CB 4.47Å; Y134-F149 HydrophobicContact CE1-CD2 4.24Å; Y134-F149 HydrophobicContact CE2-CB 3.97Å; Y134-C153 VanDerWaalsContact CB-SG 3.58Å
135L98.9Very high98.5Very high0 Ų045.8 Ų45.80%021%0.211CC..EExtended strand (participates in β ladder)trans-67.9118168.3-177.662.5000109L93 I95 V101 V126 V143 L155 V181L93-L135 HydrophobicContact CD2-CD1 4.18Å; L93-L135 HydrophobicContact CD2-CD2 3.64Å; I95-L135 HydrophobicContact CD1-CB 3.92Å; I95-L135 HydrophobicContact CD1-CD1 4.41Å; V101-L135 HydrophobicContact CG1-CD1 3.81Å; V101-L135 HydrophobicContact CG2-CD1 4Å; V126-L135 HydrophobicContact CB-CB 3.99Å; V126-L135 HydrophobicContact CB-CD2 4.22Å; V126-L135 HydrophobicContact CG1-CB 4.33Å; V126-L135 HydrophobicContact CG1-CD2 4.32Å; V126-L135 PolarHBondContact O-N 2.77Å; L135-V143 HydrophobicContact CD1-CG1 3.66Å; L135-L155 HydrophobicContact CB-CD1 4.39Å; L135-L155 HydrophobicContact CD2-CD1 3.72Å; L135-L155 HydrophobicContact CG-CD1 4.01Å; L135-V181 HydrophobicContact CD2-CG1 4.23Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; L135-V181 HydrophobicContact CG-CG2 4.46Å
136A98.8Very high98.5Very high0 Ų046.1 Ų46.10%021%0.213CC..EExtended strand (participates in β ladder)trans-129.7153.2-175.400000111.3Y134 V143 Y144 D152Y134-A136 PolarHBondContact O-N 2.91Å; A136-V143 WeakPolarHBondContact O-CA 3.03Å; A136-Y144 HydrophobicContact CB-CD1 4.09Å; A136-Y144 HydrophobicContact CB-CE1 3.61Å; A136-Y144 HydrophobicContact CB-CE2 4.08Å; A136-Y144 PolarHBondContact N-O 2.66Å; A136-Y144 PolarHBondContact O-N 3.26Å; A136-Y144 VanDerWaalsContact O-O 3.09Å; A136-D152 CarbonylContact C-O 3.49Å; A136-D152 VanDerWaalsContact CA-O 3.29Å; A136-D152 WeakPolarHBondContact CA-O 3.26Å; A136-D152 HydrophobicContact CB-CB 3.95Å
137M98.8Very high98.4Very high0 Ų053.6 Ų53.60%025%0.245CC..EExtended strand (participates in β ladder)trans-130.7125.7169.5-174.2-173.2-58.600109.7K142 V143 D152 W172 M179 F180 V181M137-K142 WeakPolarHBondContact CA-O 3.27Å; M137-V143 HydrophobicContact CE-CG2 3.93Å; M137-D152 PolarHBondContact N-O 2.71Å; M137-D152 VanDerWaalsContact O-CB 3.29Å; M137-D152 WeakPolarHBondContact O-CB 3.4Å; M137-W172 PolarHBondContact O-NE1 2.8Å; M137-M179 HydrophobicContact CE-CB 4.38Å; M137-M179 HydrophobicContact SD-CB 3.55Å; M137-M179 VanDerWaalsContact SD-CB 3.55Å; M137-M179 HydrophobicContact SD-CE 4.17Å; M137-M179 HydrophobicContact SD-SD 4.48Å; M137-F180 VanDerWaalsContact CE-O 3.28Å; M137-F180 WeakPolarHBondContact CE-O 3.41Å; M137-V181 HydrophobicContact CE-CG2 4.15Å
138N98.5Very high98.4Very high39 Ų3958.7 Ų58.721%0.20927%0.27CS..  trans-83.6171.2178.571.316.3000113.4K140 G141 K142 Y144 D152N138-K140 PolarHBondContact O-N 2.97Å; N138-K140 VanDerWaalsContact O-N 3.07Å; N138-K140 WeakPolarHBondContact OD1-CA 3.36Å; N138-K140 WeakPolarHBondContact OD1-CB 3.5Å; N138-K140 PolarHBondContact OD1-N 2.92Å; N138-K140 VanDerWaalsContact OD1-N 3.1Å; N138-G141 WeakPolarHBondContact O-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.76Å; N138-G141 PolarHBondContact OD1-N 2.68Å; N138-K142 PolarHBondContact N-O 2.88Å; N138-K142 WeakPolarHBondContact OD1-CB 3.37Å; N138-K142 PolarHBondContact OD1-N 2.9Å; N138-Y144 HydrophobicContact CB-CE1 3.89Å; N138-D152 WeakPolarHBondContact CA-OD2 3.37Å; N138-D152 VanDerWaalsContact CB-OD2 3.29Å; N138-D152 WeakPolarHBondContact CB-OD2 3.15Å
139K98.2Very high98.4Very high153 Ų15362.9 Ų62.967%0.66529%0.288SS*.THydrogen-bonded Turntrans-53-29.6177-171175.1-178179.20114.2G141 W172K139-G141 PolarHBondContact O-N 2.79Å; K139-W172 HydrophobicContact CB-CD2 3.84Å; K139-W172 HydrophobicContact CB-CE3 3.84Å; K139-W172 HydrophobicContact CB-CG 4.38Å; K139-W172 HydrophobicContact CB-CH2 4.36Å; K139-W172 HydrophobicContact CB-CZ2 4.34Å; K139-W172 HydrophobicContact CB-CZ3 4.12Å; K139-W172 HydrophobicContact CD-CE3 4.16Å; K139-W172 HydrophobicContact CD-CH2 4.42Å; K139-W172 HydrophobicContact CD-CZ3 3.87Å; K139-W172 HydrophobicContact CG-CD2 4.21Å; K139-W172 HydrophobicContact CG-CE3 3.72Å; K139-W172 HydrophobicContact CG-CZ3 3.96Å
140K97.9Very high98.4Very high156 Ų15662.4 Ų62.468%0.67829%0.286SS*.THydrogen-bonded Turntrans-81.33.7175.9-60.3-176.9179.9179.60113N138 K142N138-K140 PolarHBondContact O-N 2.97Å; N138-K140 VanDerWaalsContact O-N 3.07Å; N138-K140 WeakPolarHBondContact OD1-CA 3.36Å; N138-K140 WeakPolarHBondContact OD1-CB 3.5Å; N138-K140 PolarHBondContact OD1-N 2.92Å; N138-K140 VanDerWaalsContact OD1-N 3.1Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.3Å
141G98.2Very high98.4Very high0 Ų059.2 Ų59.20%028%0.279CS..  trans69.221.6-176.400000114N138 K139 R191 G192N138-G141 WeakPolarHBondContact O-CA 3.34Å; N138-G141 PolarHBondContact O-N 2.76Å; N138-G141 PolarHBondContact OD1-N 2.68Å; K139-G141 PolarHBondContact O-N 2.79Å; G141-R191 CarbonylContact O-C 3.5Å; G141-R191 WeakPolarHBondContact O-CA 3.26Å; G141-G192 PolarHBondContact O-N 3.37Å
142K98.6Very high98.5Very high103 Ų10359.4 Ų59.445%0.44828%0.278SS..  trans-81.2125.7171.3-167.3-176173.1-174.50108.5M137 N138 K140M137-K142 WeakPolarHBondContact CA-O 3.27Å; N138-K142 PolarHBondContact N-O 2.88Å; N138-K142 WeakPolarHBondContact OD1-CB 3.37Å; N138-K142 PolarHBondContact OD1-N 2.9Å; K140-K142 VanDerWaalsContact C-N 3.3Å; K140-K142 PolarHBondContact O-N 3.3Å
143V98.8Very high98.5Very high8 Ų855 Ų555%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-83.3131.7169.4-177.40000109V101 L135 A136 M137 T189V101-V143 HydrophobicContact CB-CG1 4.03Å; V101-V143 HydrophobicContact CG1-CG1 3.87Å; V101-V143 HydrophobicContact CG2-CG1 4.17Å; L135-V143 HydrophobicContact CD1-CG1 3.66Å; A136-V143 WeakPolarHBondContact O-CA 3.03Å; M137-V143 HydrophobicContact CE-CG2 3.93Å; V143-T189 HydrophobicContact CB-CG2 4.12Å; V143-T189 HydrophobicContact CG1-CG2 4.16Å
144Y98.8Very high98.5Very high55 Ų5555.1 Ų55.122%0.21626%0.257CS..EExtended strand (participates in β ladder)trans-153.4169.1-178.572.4-74.6000110.6A136 N138 D152A136-Y144 HydrophobicContact CB-CD1 4.09Å; A136-Y144 HydrophobicContact CB-CE1 3.61Å; A136-Y144 HydrophobicContact CB-CE2 4.08Å; A136-Y144 PolarHBondContact N-O 2.66Å; A136-Y144 PolarHBondContact O-N 3.26Å; A136-Y144 VanDerWaalsContact O-O 3.09Å; N138-Y144 HydrophobicContact CB-CE1 3.89Å; Y144-D152 HydrophobicContact CE1-CB 4.33Å; Y144-D152 PolarHBondContact OH-OD2 3.32Å
145G98.8Very high98.5Very high8 Ų852.7 Ų52.78%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-91.612417000000110.2G99 Y133 Y134G99-G145 WeakPolarHBondContact O-CA 3.49Å; G99-G145 PolarHBondContact O-N 2.91Å; Y133-G145 VanDerWaalsContact CD1-O 3.25Å; Y133-G145 WeakPolarHBondContact CD1-O 3.42Å; Y133-G145 WeakPolarHBondContact CE1-O 3.47Å; Y134-G145 CarbonylContact O-C 3.53Å; Y134-G145 VanDerWaalsContact O-CA 3.26Å; Y134-G145 WeakPolarHBondContact O-CA 3.42Å
146S98.7Very high98.4Very high12 Ų1255.7 Ų55.78%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-96.6134.4169.4-1700000110.9Y133 Y134 E148 N150Y133-S146 CarbonylContact C-O 3.55Å; Y133-S146 WeakPolarHBondContact CA-O 3.43Å; Y133-S146 VanDerWaalsContact CD1-C 3.41Å; Y134-S146 PolarHBondContact N-O 2.81Å; Y134-S146 PolarHBondContact O-N 3.09Å; S146-E148 WeakPolarHBondContact CB-O 3.46Å; S146-E148 PolarHBondContact OG-O 2.78Å; S146-N150 PolarHBondContact OG-ND2 2.77Å; S146-N150 VanDerWaalsContact OG-ND2 3.12Å
147K97.8Very high98.4Very high156 Ų15656.8 Ų56.868%0.67827%0.265SS*.SBendtrans-74-35.3177.8-167.3174.8-178.8-175.30111.3Y133Y133-K147 HydrophobicContact CD1-CB 4.38Å; Y133-K147 HydrophobicContact CE1-CB 3.96Å
148E97.9Very high98.3Very high151 Ų15161.8 Ų61.871%0.70628%0.284SS*.SBendtrans-105.8149177.6-68.4169.6-161.800110.5S146S146-E148 WeakPolarHBondContact CB-O 3.46Å; S146-E148 PolarHBondContact OG-O 2.78Å
149F98.3Very high98.3Very high88 Ų8862.8 Ų62.839%0.38629%0.289SS..  trans-74.8131.4174.7179.9-106.4000110.3V119 A125 Y134 C153 K154V119-F149 HydrophobicContact CG1-CZ 4.12Å; V119-F149 HydrophobicContact CG2-CE2 4.39Å; V119-F149 HydrophobicContact CG2-CZ 4.11Å; A125-F149 HydrophobicContact CB-CD2 4.19Å; A125-F149 HydrophobicContact CB-CE2 3.71Å; Y134-F149 HydrophobicContact CD1-CD2 4.2Å; Y134-F149 HydrophobicContact CD2-CB 4.32Å; Y134-F149 HydrophobicContact CE1-CB 4.47Å; Y134-F149 HydrophobicContact CE1-CD2 4.24Å; Y134-F149 HydrophobicContact CE2-CB 3.97Å; F149-C153 HydrophobicContact CD2-CB 3.6Å; F149-C153 HydrophobicContact CE2-CB 3.69Å; F149-K154 HydrophobicContact CE2-CG 4.43Å; F149-K154 HydrophobicContact CZ-CG 3.92Å
150N98Very high98.2Very high54 Ų5456.7 Ų56.729%0.28926%0.262SS..  trans-151.7-175.8-179.458.134.7000110.9S146 D152 C153S146-N150 PolarHBondContact OG-ND2 2.77Å; S146-N150 VanDerWaalsContact OG-ND2 3.12Å; N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 WeakPolarHBondContact OD1-CB 3.29Å; N150-D152 PolarHBondContact OD1-N 2.95Å; N150-C153 VanDerWaalsContact O-CB 3.31Å; N150-C153 WeakPolarHBondContact O-CB 3.29Å; N150-C153 PolarHBondContact O-N 2.93Å; N150-C153 PolarHBondContact OD1-N 3.28Å; N150-C153 PolarHBondContact OD1-SG 3.07Å
151S98Very high98.1Very high53 Ų5358.6 Ų58.637%0.37127%0.274SS..G310 helixtrans-59.9-30.7179.251.30000113.8C153 K154 N171S151-C153 PolarHBondContact O-N 3.08Å; S151-K154 PolarHBondContact O-N 3.27Å; S151-N171 PolarHBondContact O-OD1 3.36Å
152D98.7Very high97.9Very high20 Ų2062.2 Ų62.211%0.10729%0.293CS..G310 helixtrans-67.2-21.4177.2-68.48.3000112.2A136 M137 N138 Y144 N150 W172A136-D152 CarbonylContact C-O 3.49Å; A136-D152 VanDerWaalsContact CA-O 3.29Å; A136-D152 WeakPolarHBondContact CA-O 3.26Å; A136-D152 HydrophobicContact CB-CB 3.95Å; M137-D152 PolarHBondContact N-O 2.71Å; M137-D152 VanDerWaalsContact O-CB 3.29Å; M137-D152 WeakPolarHBondContact O-CB 3.4Å; N138-D152 WeakPolarHBondContact CA-OD2 3.37Å; N138-D152 VanDerWaalsContact CB-OD2 3.29Å; N138-D152 WeakPolarHBondContact CB-OD2 3.15Å; Y144-D152 HydrophobicContact CE1-CB 4.33Å; Y144-D152 PolarHBondContact OH-OD2 3.32Å; N150-D152 PolarHBondContact O-N 2.95Å; N150-D152 WeakPolarHBondContact OD1-CB 3.29Å; N150-D152 PolarHBondContact OD1-N 2.95Å; D152-W172 VanDerWaalsContact OD1-CE2 3.31Å; D152-W172 WeakPolarHBondContact OD1-CZ2 3.36Å; D152-W172 PolarHBondContact OD1-NE1 3.09Å
153C98.7Very high97.8Very high0 Ų059.4 Ų59.40%029%0.293CS..G310 helixtrans-85-12.2-178.7-56.40000113.6Y134 F149 N150 S151 L155Y134-C153 VanDerWaalsContact CB-SG 3.58Å; F149-C153 HydrophobicContact CD2-CB 3.6Å; F149-C153 HydrophobicContact CE2-CB 3.69Å; N150-C153 VanDerWaalsContact O-CB 3.31Å; N150-C153 WeakPolarHBondContact O-CB 3.29Å; N150-C153 PolarHBondContact O-N 2.93Å; N150-C153 PolarHBondContact OD1-N 3.28Å; N150-C153 PolarHBondContact OD1-SG 3.07Å; S151-C153 PolarHBondContact O-N 3.08Å; C153-L155 PolarHBondContact O-N 2.92Å
154K98.6Very high97.8Very high50 Ų5060.9 Ų60.922%0.21730%0.298CS..  trans-79.6111.5-179.7-67.9-169.8177.2-165.90110.3E120 V123 F149 S151 L170E120-K154 IonicContact OE1-NZ 3.4Å; E120-K154 PolarHBondContact OE1-NZ 3.44Å; V123-K154 HydrophobicContact CG1-CB 3.93Å; V123-K154 HydrophobicContact CG1-CG 4.45Å; F149-K154 HydrophobicContact CE2-CG 4.43Å; F149-K154 HydrophobicContact CZ-CG 3.92Å; S151-K154 PolarHBondContact O-N 3.27Å; K154-L170 HydrophobicContact CB-CB 3.88Å; K154-L170 HydrophobicContact CB-CD2 3.85Å; K154-L170 HydrophobicContact CD-CD2 3.78Å; K154-L170 HydrophobicContact CG-CD2 4.45Å; K154-L170 VanDerWaalsContact O-CB 3.29Å; K154-L170 WeakPolarHBondContact O-CB 3.47Å; K154-L170 PolarHBondContact O-N 3.26Å
155L98.8Very high97.7Very high0 Ų058.3 Ų58.30%029%0.288CS..EExtended strand (participates in β ladder)trans-114.9124.4-177.5-59.5175.9000110.9V123 V124 V126 L135 C153 E157 A168 V181V123-L155 CarbonylContact C-O 3.49Å; V123-L155 WeakPolarHBondContact CA-O 3.4Å; V124-L155 HydrophobicContact CG2-CB 4.24Å; V124-L155 WeakPolarHBondContact CG2-O 3.4Å; V124-L155 PolarHBondContact N-O 3.47Å; V124-L155 PolarHBondContact O-N 3.07Å; V126-L155 HydrophobicContact CG2-CD1 4.27Å; L135-L155 HydrophobicContact CB-CD1 4.39Å; L135-L155 HydrophobicContact CD2-CD1 3.72Å; L135-L155 HydrophobicContact CG-CD1 4.01Å; C153-L155 PolarHBondContact O-N 2.92Å; L155-E157 PolarHBondContact O-N 3.31Å; L155-A168 CarbonylContact C-O 3.46Å; L155-A168 VanDerWaalsContact CA-O 3.23Å; L155-A168 WeakPolarHBondContact CA-O 3.47Å; L155-V181 HydrophobicContact CD1-CG2 4.23Å; L155-V181 HydrophobicContact CD2-CG2 4.19Å
156K98.5Very high97.7Very high63 Ų6358 Ų5827%0.27429%0.285SS..EExtended strand (participates in β ladder)trans-74.1112.4171.1-171.5172.3-169.5164.30109.6G122 Y167 A168G122-K156 CarbonylContact O-C 3.52Å; G122-K156 WeakPolarHBondContact O-CA 3.49Å; K156-Y167 WeakPolarHBondContact O-CA 3.48Å; K156-A168 HydrophobicContact CB-CB 4.43Å; K156-A168 PolarHBondContact N-O 2.85Å; K156-A168 PolarHBondContact O-N 2.74Å
157E97.9Very high97.7Very high24 Ų2457.5 Ų57.511%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-88.2134.5175.2-176.2-179-127.300110.2R81 G122 V124 L155 N165 T166 Y167R81-E157 IonicContact CZ-OE1 3.26Å; R81-E157 IonicContact CZ-OE2 2.9Å; R81-E157 IonicContact NH1-OE1 2.66Å; R81-E157 PolarHBondContact NH1-OE1 3.42Å; R81-E157 IonicContact NH1-OE2 3.1Å; R81-E157 PolarHBondContact NH1-OE2 2.96Å; R81-E157 IonicContact NH2-OE1 2.71Å; R81-E157 PolarHBondContact NH2-OE1 3.19Å; R81-E157 VanDerWaalsContact NH2-OE1 3.1Å; R81-E157 IonicContact NH2-OE2 3.43Å; R81-E157 PolarHBondContact NH2-OE2 3.1Å; G122-E157 PolarHBondContact O-N 2.68Å; V124-E157 HydrophobicContact CG1-CB 4.14Å; V124-E157 HydrophobicContact CG2-CB 4.15Å; L155-E157 PolarHBondContact O-N 3.31Å; E157-N165 HydrophobicContact CG-CB 4.4Å; E157-N165 PolarHBondContact OE1-ND2 3.1Å; E157-T166 WeakPolarHBondContact CA-O 3.23Å; E157-Y167 HydrophobicContact CB-CD1 4.09Å; E157-Y167 HydrophobicContact CB-CE1 3.85Å; E157-Y167 HydrophobicContact CG-CD1 4.2Å; E157-Y167 HydrophobicContact CG-CE1 3.57Å; E157-Y167 WeakPolarHBondContact OE1-CE1 3.35Å; E157-Y167 PolarHBondContact OE1-OH 2.93Å
158R97.3Very high97.8Very high105 Ų10550.2 Ų50.240%0.39625%0.25SC..EExtended strand (participates in β ladder)trans-140.7141.3170.7-74.3-172.2164.7168.4-8.3110.9N165 T166R158-N165 CarbonylContact O-C 3.6Å; R158-N165 WeakPolarHBondContact O-CA 3.19Å; R158-T166 PolarHBondContact N-O 3.24Å; R158-T166 VanDerWaalsContact N-O 3.07Å; R158-T166 PolarHBondContact O-N 2.87Å
159I97.3Very high97.8Very high60 Ų6043 Ų4331%0.30822%0.216SC..EExtended strand (participates in β ladder)trans-82.1128.7167.6-57.3168.9000107.3Y73 L76 N165Y73-I159 HydrophobicContact CD1-CD1 4.01Å; Y73-I159 HydrophobicContact CD2-CD1 4Å; Y73-I159 HydrophobicContact CE1-CD1 3.69Å; Y73-I159 HydrophobicContact CE2-CD1 3.68Å; Y73-I159 HydrophobicContact CG-CD1 4.13Å; Y73-I159 VanDerWaalsContact CZ-CD1 3.49Å; L76-I159 HydrophobicContact CD1-CD1 4.31Å; I159-N165 WeakPolarHBondContact CG1-OD1 3.1Å
160E97.1Very high97.8Very high24 Ų2441.6 Ų41.611%0.11221%0.212CC..  trans-93.9165.8175.8-55.7-67.9151.800110.5N162 G163 Y164 T166 R197E160-N162 PolarHBondContact O-N 2.72Å; E160-N162 VanDerWaalsContact O-N 3.1Å; E160-G163 PolarHBondContact O-N 2.9Å; E160-Y164 WeakPolarHBondContact CB-O 3.4Å; E160-Y164 PolarHBondContact N-O 3.28Å; E160-T166 HydrophobicContact CG-CG2 3.5Å; E160-T166 WeakPolarHBondContact OE1-CB 3.29Å; E160-T166 VanDerWaalsContact OE1-CG2 3.24Å; E160-T166 WeakPolarHBondContact OE1-CG2 3.33Å; E160-T166 PolarHBondContact OE1-OG1 2.78Å; E160-R197 WeakPolarHBondContact OE1-CD 3.27Å; E160-R197 WeakPolarHBondContact OE1-CG 3.35Å; E160-R197 IonicContact OE1-NE 3.9Å; E160-R197 WeakPolarHBondContact OE2-CD 3.4Å; E160-R197 IonicContact OE2-CZ 3.88Å; E160-R197 IonicContact OE2-NE 3.02Å; E160-R197 PolarHBondContact OE2-NE 3.1Å
161E95.1Very high97.8Very high196 Ų19642.7 Ų42.792%0.91622%0.218SC*.THydrogen-bonded Turntrans-58.9-26.4-175.7-68162.3-161.700113.5G163E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 2.81Å
162N94.8Very high97.8Very high77 Ų7743.1 Ų43.141%0.41221%0.212SC..THydrogen-bonded Turntrans-84.27.117763.97.8000113.9E160 Y164 H203E160-N162 PolarHBondContact O-N 2.72Å; E160-N162 VanDerWaalsContact O-N 3.1Å; N162-Y164 VanDerWaalsContact C-N 3.28Å; N162-Y164 PolarHBondContact O-N 3.2Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.49Å; N162-Y164 PolarHBondContact OD1-N 3.26Å; N162-Y164 VanDerWaalsContact OD1-N 3.09Å; N162-H203 PolarHBondContact ND2-CD2 2.99Å; N162-H203 VanDerWaalsContact ND2-CD2 3.27Å; N162-H203 PolarHBondContact ND2-NE2 3.48Å
163G95.8Very high97.8Very high43 Ų4348.5 Ų48.544%0.44323%0.234SC..SBendtrans79.9-0.9179.800000115.2E160 E161E160-G163 PolarHBondContact O-N 2.9Å; E161-G163 VanDerWaalsContact C-N 3.26Å; E161-G163 PolarHBondContact O-N 2.81Å
164Y98.2Very high97.7Very high39 Ų3951.3 Ų51.315%0.15325%0.247CC..  trans-87.7157172.5-74.1-105.9000111.3Y88 E160 N162 H203 L205Y88-Y164 HydrophobicContact CD2-CD2 4.49Å; Y88-Y164 HydrophobicContact CD2-CE1 4.18Å; Y88-Y164 HydrophobicContact CD2-CE2 4.02Å; Y88-Y164 AromaticContact CD2-CZ 3.87Å; Y88-Y164 HydrophobicContact CE2-CE2 4.43Å; E160-Y164 WeakPolarHBondContact CB-O 3.4Å; E160-Y164 PolarHBondContact N-O 3.28Å; N162-Y164 VanDerWaalsContact C-N 3.28Å; N162-Y164 PolarHBondContact O-N 3.2Å; N162-Y164 WeakPolarHBondContact OD1-CB 3.49Å; N162-Y164 PolarHBondContact OD1-N 3.26Å; N162-Y164 VanDerWaalsContact OD1-N 3.09Å; Y164-H203 HydrophobicContact CD1-CB 3.91Å; Y164-H203 HydrophobicContact CG-CB 3.9Å; Y164-L205 HydrophobicContact CD1-CB 3.93Å; Y164-L205 HydrophobicContact CE1-CB 3.77Å
165N98.4Very high97.6Very high2 Ų255.9 Ų55.91%0.01127%0.274CS..EExtended strand (participates in β ladder)trans-94.2149.4173-6711.4000111.4E157 R158 I159 Y167 H203 F204 P206E157-N165 HydrophobicContact CG-CB 4.4Å; E157-N165 PolarHBondContact OE1-ND2 3.1Å; R158-N165 CarbonylContact O-C 3.6Å; R158-N165 WeakPolarHBondContact O-CA 3.19Å; I159-N165 WeakPolarHBondContact CG1-OD1 3.1Å; N165-Y167 HydrophobicContact CB-CE2 3.97Å; N165-H203 WeakPolarHBondContact O-CA 3.29Å; N165-F204 WeakPolarHBondContact CA-O 3.42Å; N165-F204 PolarHBondContact N-O 2.9Å; N165-F204 PolarHBondContact O-N 3.22Å; N165-P206 HydrophobicContact CB-CG 4.36Å; N165-P206 WeakPolarHBondContact ND2-CG 3.29Å
166T98.7Very high97.5Very high2 Ų259.2 Ų59.21%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-113.4149.3163.9620000110.4E157 R158 E160 R197 H203E157-T166 WeakPolarHBondContact CA-O 3.23Å; R158-T166 PolarHBondContact N-O 3.24Å; R158-T166 VanDerWaalsContact N-O 3.07Å; R158-T166 PolarHBondContact O-N 2.87Å; E160-T166 HydrophobicContact CG-CG2 3.5Å; E160-T166 WeakPolarHBondContact OE1-CB 3.29Å; E160-T166 VanDerWaalsContact OE1-CG2 3.24Å; E160-T166 WeakPolarHBondContact OE1-CG2 3.33Å; E160-T166 PolarHBondContact OE1-OG1 2.78Å; T166-R197 HydrophobicContact CG2-CG 4.42Å; T166-H203 VanDerWaalsContact CG2-ND1 3.34Å; T166-H203 WeakPolarHBondContact CG2-ND1 3.28Å
167Y98.8Very high97.4Very high1 Ų160.3 Ų60.30%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-125.1102178.2-62.4-82.6000109.1L85 V124 K156 E157 N165 F180 V181 F204L85-Y167 HydrophobicContact CD1-CD2 4.49Å; L85-Y167 HydrophobicContact CD1-CE2 3.99Å; L85-Y167 HydrophobicContact CD2-CE2 3.86Å; L85-Y167 WeakPolarHBondContact CD2-OH 3.33Å; V124-Y167 HydrophobicContact CG2-CD1 4.03Å; V124-Y167 HydrophobicContact CG2-CE1 3.99Å; K156-Y167 WeakPolarHBondContact O-CA 3.48Å; E157-Y167 HydrophobicContact CB-CD1 4.09Å; E157-Y167 HydrophobicContact CB-CE1 3.85Å; E157-Y167 HydrophobicContact CG-CD1 4.2Å; E157-Y167 HydrophobicContact CG-CE1 3.57Å; E157-Y167 WeakPolarHBondContact OE1-CE1 3.35Å; E157-Y167 PolarHBondContact OE1-OH 2.93Å; N165-Y167 HydrophobicContact CB-CE2 3.97Å; Y167-F180 WeakPolarHBondContact O-CA 3.44Å; Y167-V181 PolarHBondContact O-N 2.81Å; Y167-F204 HydrophobicContact CD2-CB 4.47Å; Y167-F204 HydrophobicContact CD2-CD2 4.11Å; Y167-F204 HydrophobicContact CE2-CB 4.05Å
168A98.8Very high97.4Very high2 Ų261.5 Ų61.52%0.01732%0.317CS..EExtended strand (participates in β ladder)trans-96.4147.1178.200000111L155 K156 L170 Q178 M179 F180L155-A168 CarbonylContact C-O 3.46Å; L155-A168 VanDerWaalsContact CA-O 3.23Å; L155-A168 WeakPolarHBondContact CA-O 3.47Å; K156-A168 HydrophobicContact CB-CB 4.43Å; K156-A168 PolarHBondContact N-O 2.85Å; K156-A168 PolarHBondContact O-N 2.74Å; A168-L170 PolarHBondContact O-N 2.71Å; A168-Q178 HydrophobicContact CB-CB 4.26Å; A168-M179 CarbonylContact C-O 3.54Å; A168-M179 WeakPolarHBondContact CA-O 3.29Å; A168-F180 HydrophobicContact CB-CD1 3.81Å; A168-F180 HydrophobicContact CB-CE1 3.73Å; A168-F180 HydrophobicContact CB-CG 4.45Å; A168-F180 HydrophobicContact CB-CZ 4.29Å
169S98.7Very high97.5Very high1 Ų156.6 Ų56.61%0.00730%0.298CS..EExtended strand (participates in β ladder)trans-59131.7166.4179.20000109.5W172 M179S169-W172 WeakPolarHBondContact OG-CB 3.27Å; S169-W172 VanDerWaalsContact OG-CD1 3.28Å; S169-W172 PolarHBondContact OG-N 3.43Å; S169-M179 PolarHBondContact N-O 2.77Å
170L98.3Very high97.6Very high57 Ų5754 Ų5430%0.29828%0.284SS..EExtended strand (participates in β ladder)trans-67.2-48.8173.7-178.667.2000110.4V123 K154 A168V123-L170 HydrophobicContact CG1-CD2 4Å; V123-L170 HydrophobicContact CG2-CD1 3.88Å; V123-L170 HydrophobicContact CG2-CD2 4.19Å; K154-L170 HydrophobicContact CB-CB 3.88Å; K154-L170 HydrophobicContact CB-CD2 3.85Å; K154-L170 HydrophobicContact CD-CD2 3.78Å; K154-L170 HydrophobicContact CG-CD2 4.45Å; K154-L170 VanDerWaalsContact O-CB 3.29Å; K154-L170 WeakPolarHBondContact O-CB 3.47Å; K154-L170 PolarHBondContact O-N 3.26Å; A168-L170 PolarHBondContact O-N 2.71Å
171N98.1Very high97.7Very high78 Ų7852.9 Ų52.942%0.41728%0.279SS..EExtended strand (participates in β ladder)trans-87.4-30.7-170-66.478.1000113.7S151S151-N171 PolarHBondContact O-OD1 3.36Å
172W98.3Very high97.8Very high62 Ų6243.5 Ų43.524%0.23524%0.236CC..EExtended strand (participates in β ladder)trans-107.6127-169.6-48.7120.5000113.4M137 K139 D152 S169 M179M137-W172 PolarHBondContact O-NE1 2.8Å; K139-W172 HydrophobicContact CB-CD2 3.84Å; K139-W172 HydrophobicContact CB-CE3 3.84Å; K139-W172 HydrophobicContact CB-CG 4.38Å; K139-W172 HydrophobicContact CB-CH2 4.36Å; K139-W172 HydrophobicContact CB-CZ2 4.34Å; K139-W172 HydrophobicContact CB-CZ3 4.12Å; K139-W172 HydrophobicContact CD-CE3 4.16Å; K139-W172 HydrophobicContact CD-CH2 4.42Å; K139-W172 HydrophobicContact CD-CZ3 3.87Å; K139-W172 HydrophobicContact CG-CD2 4.21Å; K139-W172 HydrophobicContact CG-CE3 3.72Å; K139-W172 HydrophobicContact CG-CZ3 3.96Å; D152-W172 VanDerWaalsContact OD1-CE2 3.31Å; D152-W172 WeakPolarHBondContact OD1-CZ2 3.36Å; D152-W172 PolarHBondContact OD1-NE1 3.09Å; S169-W172 WeakPolarHBondContact OG-CB 3.27Å; S169-W172 VanDerWaalsContact OG-CD1 3.28Å; S169-W172 PolarHBondContact OG-N 3.43Å; W172-M179 HydrophobicContact CB-CE 3.4Å; W172-M179 VanDerWaalsContact CB-CE 3.4Å
173K98Very high98Very high132 Ų13239.9 Ų39.957%0.57422%0.216SC*.EExtended strand (participates in β ladder)trans-126159.4175.3-63179.2-174.9174.20109.7R177K173-R177 CarbonylContact C-O 3.53Å; K173-R177 VanDerWaalsContact CA-O 3.28Å; K173-R177 WeakPolarHBondContact CA-O 3.31Å; K173-R177 WeakPolarHBondContact CB-O 3.17Å
174H97.4Very high98.1Very high60 Ų6039.6 Ų39.628%0.27820%0.204SC..EExtended strand (participates in β ladder)trans-127.6116.5174.3-178.2-92.7000109.3G176 R177 M179 Q193H174-G176 VanDerWaalsContact C-N 3.34Å; H174-G176 PolarHBondContact O-N 3.31Å; H174-R177 PolarHBondContact N-O 3.05Å; H174-R177 WeakPolarHBondContact O-CB 3.26Å; H174-R177 PolarHBondContact O-N 2.82Å; H174-M179 HydrophobicContact CB-CG 4.08Å; H174-M179 HydrophobicContact CB-SD 3.99Å; H174-Q193 HydrophobicContact CB-CB 4.45Å; H174-Q193 HydrophobicContact CB-CG 4.15Å; H174-Q193 PolarHBondContact CD2-NE2 3.25Å; H174-Q193 VanDerWaalsContact CD2-NE2 3.27Å; H174-Q193 PolarHBondContact NE2-NE2 2.86Å
175N96.1Very high98.1Very high145 Ų14540.4 Ų40.478%0.77523%0.225SC*.THydrogen-bonded Turntrans50.952.1-175.9-56.6-4.3000111.6R177N175-R177 PolarHBondContact O-N 3.16Å
176G95.9Very high98Very high70 Ų7050.3 Ų50.372%0.72226%0.262SS*.THydrogen-bonded Turntrans72.2-14.8-177.300000115.5H174H174-G176 VanDerWaalsContact C-N 3.34Å; H174-G176 PolarHBondContact O-N 3.31Å
177R97.1Very high98Very high87 Ų8750.3 Ų50.333%0.32826%0.263SS..EExtended strand (participates in β ladder)trans-89.5140.5-177.9-99166.940.256.829.2112.9K173 H174 N175 T195 R196K173-R177 CarbonylContact C-O 3.53Å; K173-R177 VanDerWaalsContact CA-O 3.28Å; K173-R177 WeakPolarHBondContact CA-O 3.31Å; K173-R177 WeakPolarHBondContact CB-O 3.17Å; H174-R177 PolarHBondContact N-O 3.05Å; H174-R177 WeakPolarHBondContact O-CB 3.26Å; H174-R177 PolarHBondContact O-N 2.82Å; N175-R177 PolarHBondContact O-N 3.16Å; R177-T195 PolarHBondContact NH2-O 3.37Å; R177-R196 VanDerWaalsContact CZ-CZ 3.42Å; R177-R196 VanDerWaalsContact CZ-NE 3.32Å; R177-R196 VanDerWaalsContact NH2-CD 3.33Å; R177-R196 VanDerWaalsContact NH2-CZ 3.29Å
178Q98.3Very high98Very high49 Ų4952.4 Ų52.423%0.22928%0.28CS..EExtended strand (participates in β ladder)trans-61.7146.1171.9-65-177.1-59.900111.7A168 F180A168-Q178 HydrophobicContact CB-CB 4.26Å; Q178-F180 HydrophobicContact CB-CE2 3.74Å; Q178-F180 HydrophobicContact CB-CZ 3.8Å; Q178-F180 WeakPolarHBondContact O-CE2 3.36Å
179M98.6Very high98Very high1 Ų154.6 Ų54.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-107136.6172.2-65.3-165.4-68.700109.8M137 A168 S169 W172 H174 G192 Q193M137-M179 HydrophobicContact CE-CB 4.38Å; M137-M179 HydrophobicContact SD-CB 3.55Å; M137-M179 VanDerWaalsContact SD-CB 3.55Å; M137-M179 HydrophobicContact SD-CE 4.17Å; M137-M179 HydrophobicContact SD-SD 4.48Å; A168-M179 CarbonylContact C-O 3.54Å; A168-M179 WeakPolarHBondContact CA-O 3.29Å; S169-M179 PolarHBondContact N-O 2.77Å; W172-M179 HydrophobicContact CB-CE 3.4Å; W172-M179 VanDerWaalsContact CB-CE 3.4Å; H174-M179 HydrophobicContact CB-CG 4.08Å; H174-M179 HydrophobicContact CB-SD 3.99Å; M179-G192 VanDerWaalsContact SD-C 3.6Å; M179-Q193 HydrophobicContact SD-CG 3.88Å; M179-Q193 PolarHBondContact SD-N 2.65Å
180F98.8Very high97.9Very high5 Ų557.2 Ų57.22%0.02230%0.304CS..EExtended strand (participates in β ladder)trans-115.6144.5-172.5-60.6-96000111.3M137 Y167 A168 Q178 A182 T195 R197 A202M137-F180 VanDerWaalsContact CE-O 3.28Å; M137-F180 WeakPolarHBondContact CE-O 3.41Å; Y167-F180 WeakPolarHBondContact O-CA 3.44Å; A168-F180 HydrophobicContact CB-CD1 3.81Å; A168-F180 HydrophobicContact CB-CE1 3.73Å; A168-F180 HydrophobicContact CB-CG 4.45Å; A168-F180 HydrophobicContact CB-CZ 4.29Å; Q178-F180 HydrophobicContact CB-CE2 3.74Å; Q178-F180 HydrophobicContact CB-CZ 3.8Å; Q178-F180 WeakPolarHBondContact O-CE2 3.36Å; F180-A182 PolarHBondContact O-N 3.5Å; F180-T195 PolarHBondContact N-OG1 3.04Å; F180-T195 WeakPolarHBondContact O-CG2 3.38Å; F180-R197 HydrophobicContact CE1-CB 4.03Å; F180-R197 HydrophobicContact CE1-CG 3.91Å; F180-R197 HydrophobicContact CE2-CB 4.06Å; F180-R197 HydrophobicContact CZ-CB 3.55Å; F180-R197 HydrophobicContact CZ-CG 3.88Å; F180-A202 HydrophobicContact CB-CB 3.84Å; F180-A202 HydrophobicContact CG-CB 4.39Å
181V98.8Very high97.9Very high1 Ų160.2 Ų60.21%0.00631%0.312CS..  trans-61.9133161.9179.10000107L135 M137 L155 Y167 A202 F204L135-V181 HydrophobicContact CD2-CG1 4.23Å; L135-V181 HydrophobicContact CD2-CG2 4.17Å; L135-V181 HydrophobicContact CG-CG2 4.46Å; M137-V181 HydrophobicContact CE-CG2 4.15Å; L155-V181 HydrophobicContact CD1-CG2 4.23Å; L155-V181 HydrophobicContact CD2-CG2 4.19Å; Y167-V181 PolarHBondContact O-N 2.81Å; V181-A202 WeakPolarHBondContact O-CA 3.35Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG1-CZ 4.08Å; V181-F204 WeakPolarHBondContact O-CE2 3.41Å
182A98.7Very high97.9Very high0 Ų056.5 Ų56.50%029%0.292CS..  trans-155.6144.1-177.900000111.5F180 T189 K190 T195 S201 A202F180-A182 PolarHBondContact O-N 3.5Å; A182-T189 WeakPolarHBondContact O-CA 3.5Å; A182-K190 HydrophobicContact CB-CB 4.1Å; A182-K190 HydrophobicContact CB-CD 4.21Å; A182-K190 HydrophobicContact CB-CG 4.47Å; A182-K190 PolarHBondContact O-N 3.12Å; A182-T195 HydrophobicContact CB-CG2 3.66Å; A182-S201 CarbonylContact C-O 3.58Å; A182-S201 WeakPolarHBondContact CA-O 3.37Å; A182-S201 WeakPolarHBondContact CB-O 3.48Å; A182-A202 HydrophobicContact CB-CB 4.15Å
183L98.8Very high97.9Very high0 Ų057.1 Ų57.10%030%0.297CS..BIsolated β-bridgetrans-110.1137.8170.7-63.1-179.1000109.2N89 L93 A188 T189 S201 F204N89-L183 PolarHBondContact ND2-O 2.93Å; L93-L183 HydrophobicContact CD1-CD1 4.04Å; L93-L183 HydrophobicContact CD1-CD2 4Å; L93-L183 HydrophobicContact CD1-CG 4.18Å; L183-A188 CarbonylContact C-O 3.49Å; L183-A188 WeakPolarHBondContact CA-O 3.46Å; L183-T189 HydrophobicContact CD2-CG2 3.85Å; L183-S201 PolarHBondContact N-O 2.7Å; L183-S201 VanDerWaalsContact O-CB 3.27Å; L183-S201 WeakPolarHBondContact O-CB 3.38Å; L183-F204 HydrophobicContact CD1-CE1 4.08Å; L183-F204 HydrophobicContact CG-CE1 4.15Å; L183-F204 HydrophobicContact CG-CZ 4.15Å
184N97.9Very high97.9Very high37 Ų3758 Ų5820%0.19830%0.302CS..  trans-79.5177.6171.969.518.1000111.4R186 G187 A188 K190N184-R186 PolarHBondContact O-N 3.1Å; N184-R186 WeakPolarHBondContact OD1-CA 3.42Å; N184-R186 WeakPolarHBondContact OD1-CB 3.4Å; N184-R186 PolarHBondContact OD1-N 2.87Å; N184-G187 PolarHBondContact O-N 2.7Å; N184-G187 PolarHBondContact OD1-N 2.83Å; N184-A188 PolarHBondContact N-O 3.19Å; N184-A188 PolarHBondContact OD1-N 2.76Å; N184-A188 PolarHBondContact OD1-O 2.79Å; N184-K190 HydrophobicContact CB-CD 4.11Å; N184-K190 HydrophobicContact CB-CG 3.94Å
185G97.4Very high97.9Very high56 Ų5655.2 Ų55.258%0.57729%0.288SS*.THydrogen-bonded Turntrans-63.6-9.7179.300000115.1Y91Y91-G185 PolarHBondContact OH-O 2.85Å
186R97.8Very high98Very high210 Ų21053.1 Ų53.179%0.79227%0.27SS*.THydrogen-bonded Turntrans-100.84.6174.9-62.3-177.9-71-168.8-2.6112.6N184 A188N184-R186 PolarHBondContact O-N 3.1Å; N184-R186 WeakPolarHBondContact OD1-CA 3.42Å; N184-R186 WeakPolarHBondContact OD1-CB 3.4Å; N184-R186 PolarHBondContact OD1-N 2.87Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.79Å
187G97.6Very high98.1Very high3 Ų354.3 Ų54.33%0.03125%0.252CS..SBendtrans75.511.3-176.300000114.4G103 N184G103-G187 WeakPolarHBondContact CA-O 3.47Å; G103-G187 PolarHBondContact N-O 2.82Å; N184-G187 PolarHBondContact O-N 2.7Å; N184-G187 PolarHBondContact OD1-N 2.83Å
188A98.4Very high98.1Very high45 Ų4558.7 Ų58.737%0.37227%0.274SS..BIsolated β-bridgetrans-90.7149.417500000111.4L183 N184 R186L183-A188 CarbonylContact C-O 3.49Å; L183-A188 WeakPolarHBondContact CA-O 3.46Å; N184-A188 PolarHBondContact N-O 3.19Å; N184-A188 PolarHBondContact OD1-N 2.76Å; N184-A188 PolarHBondContact OD1-O 2.79Å; R186-A188 VanDerWaalsContact C-N 3.3Å; R186-A188 PolarHBondContact O-N 2.79Å
189T98.5Very high98Very high48 Ų4859.5 Ų59.529%0.29428%0.28SS..BIsolated β-bridgetrans-67.1139.4178.551.10000111.6V101 V143 A182 L183V101-T189 HydrophobicContact CB-CG2 3.98Å; V101-T189 HydrophobicContact CG1-CG2 3.77Å; V101-T189 VanDerWaalsContact O-CG2 3.26Å; V101-T189 WeakPolarHBondContact O-CG2 3.46Å; V143-T189 HydrophobicContact CB-CG2 4.12Å; V143-T189 HydrophobicContact CG1-CG2 4.16Å; A182-T189 WeakPolarHBondContact O-CA 3.5Å; L183-T189 HydrophobicContact CD2-CG2 3.85Å
190K98.3Very high98Very high55 Ų5562.1 Ų62.124%0.23930%0.296CS..PPolyproline II helixtrans-91.6150.1172.8-65.5177.767.9171.70110.2A182 N184 G192 T195 S201A182-K190 HydrophobicContact CB-CB 4.1Å; A182-K190 HydrophobicContact CB-CD 4.21Å; A182-K190 HydrophobicContact CB-CG 4.47Å; A182-K190 PolarHBondContact O-N 3.12Å; N184-K190 HydrophobicContact CB-CD 4.11Å; N184-K190 HydrophobicContact CB-CG 3.94Å; K190-G192 PolarHBondContact O-N 3.14Å; K190-T195 HydrophobicContact CB-CG2 4.13Å; K190-S201 PolarHBondContact NZ-OG 2.97Å; K190-S201 VanDerWaalsContact NZ-OG 3.1Å
191R98.3Very high98Very high121 Ų12162.3 Ų62.346%0.45730%0.298SS..PPolyproline II helixtrans-67.1129.1168.9-66.2-67.5-177154.92.4109.6G141 Q193 K194G141-R191 CarbonylContact O-C 3.5Å; G141-R191 WeakPolarHBondContact O-CA 3.26Å; R191-Q193 PolarHBondContact O-N 3.46Å; R191-Q193 VanDerWaalsContact O-N 3.15Å; R191-K194 HydrophobicContact CB-CG 4.43Å; R191-K194 WeakPolarHBondContact O-CA 3.43Å; R191-K194 WeakPolarHBondContact O-CB 3.3Å; R191-K194 PolarHBondContact O-N 3.42Å
192G98Very high97.9Very high0 Ų062.3 Ų62.30%030%0.298CS..G310 helixtrans-51.1-38.7-178.300000113.6G141 M179 K190 K194 T195G141-G192 PolarHBondContact O-N 3.37Å; M179-G192 VanDerWaalsContact SD-C 3.6Å; K190-G192 PolarHBondContact O-N 3.14Å; G192-K194 PolarHBondContact O-N 3.41Å; G192-K194 VanDerWaalsContact O-N 3.14Å; G192-T195 WeakPolarHBondContact O-CB 3.44Å; G192-T195 PolarHBondContact O-N 3.31Å; G192-T195 PolarHBondContact O-OG1 2.87Å
193Q97.8Very high97.9Very high74 Ų7462.6 Ų62.635%0.34630%0.299SS..G310 helixtrans-57.3-31.6177.2-55.4168-63.600112.8H174 M179 R191 R196H174-Q193 HydrophobicContact CB-CB 4.45Å; H174-Q193 HydrophobicContact CB-CG 4.15Å; H174-Q193 PolarHBondContact CD2-NE2 3.25Å; H174-Q193 VanDerWaalsContact CD2-NE2 3.27Å; H174-Q193 PolarHBondContact NE2-NE2 2.86Å; M179-Q193 HydrophobicContact SD-CG 3.88Å; M179-Q193 PolarHBondContact SD-N 2.65Å; R191-Q193 PolarHBondContact O-N 3.46Å; R191-Q193 VanDerWaalsContact O-N 3.15Å; Q193-R196 PolarHBondContact O-NH1 3.5Å; Q193-R196 VanDerWaalsContact O-NH1 3.12Å
194K97.6Very high97.9Very high152 Ų15262.7 Ų62.766%0.66130%0.299SS*.G310 helixtrans-91.53.5-179.3-57.1-172.4179-171.90113.4R191 G192R191-K194 HydrophobicContact CB-CG 4.43Å; R191-K194 WeakPolarHBondContact O-CA 3.43Å; R191-K194 WeakPolarHBondContact O-CB 3.3Å; R191-K194 PolarHBondContact O-N 3.42Å; G192-K194 PolarHBondContact O-N 3.41Å; G192-K194 VanDerWaalsContact O-N 3.14Å
195T98.2Very high97.9Very high0 Ų064 Ų640%031%0.306CS..  trans-95.4157-178.9670000111.5R177 F180 A182 K190 G192R177-T195 PolarHBondContact NH2-O 3.37Å; F180-T195 PolarHBondContact N-OG1 3.04Å; F180-T195 WeakPolarHBondContact O-CG2 3.38Å; A182-T195 HydrophobicContact CB-CG2 3.66Å; K190-T195 HydrophobicContact CB-CG2 4.13Å; G192-T195 WeakPolarHBondContact O-CB 3.44Å; G192-T195 PolarHBondContact O-N 3.31Å; G192-T195 PolarHBondContact O-OG1 2.87Å
196R97.7Very high97.9Very high102 Ų10262.2 Ų62.239%0.38529%0.285SS..  trans-140.6148.4176.7-55.4-66.4-179.4-94.710.8107.7R177 Q193 K198 N199R177-R196 VanDerWaalsContact CZ-CZ 3.42Å; R177-R196 VanDerWaalsContact CZ-NE 3.32Å; R177-R196 VanDerWaalsContact NH2-CD 3.33Å; R177-R196 VanDerWaalsContact NH2-CZ 3.29Å; Q193-R196 PolarHBondContact O-NH1 3.5Å; Q193-R196 VanDerWaalsContact O-NH1 3.12Å; R196-K198 PolarHBondContact O-N 3.15Å; R196-N199 HydrophobicContact CB-CB 4.13Å; R196-N199 PolarHBondContact O-N 3.33Å; R196-N199 VanDerWaalsContact O-N 3.15Å
197R97.4Very high97.8Very high95 Ų9555.8 Ų55.836%0.35827%0.265SS..THydrogen-bonded Turntrans-58-48179.1-165.3-177.787.1-161.40.6111.9E160 T166 F180 N199 H203E160-R197 WeakPolarHBondContact OE1-CD 3.27Å; E160-R197 WeakPolarHBondContact OE1-CG 3.35Å; E160-R197 IonicContact OE1-NE 3.9Å; E160-R197 WeakPolarHBondContact OE2-CD 3.4Å; E160-R197 IonicContact OE2-CZ 3.88Å; E160-R197 IonicContact OE2-NE 3.02Å; E160-R197 PolarHBondContact OE2-NE 3.1Å; T166-R197 HydrophobicContact CG2-CG 4.42Å; F180-R197 HydrophobicContact CE1-CB 4.03Å; F180-R197 HydrophobicContact CE1-CG 3.91Å; F180-R197 HydrophobicContact CE2-CB 4.06Å; F180-R197 HydrophobicContact CZ-CB 3.55Å; F180-R197 HydrophobicContact CZ-CG 3.88Å; R197-N199 PolarHBondContact O-N 2.77Å; R197-H203 PolarHBondContact O-CE1 3.15Å
198K96.6Very high97.5Very high178 Ų17860.5 Ų60.577%0.77429%0.292SS*.THydrogen-bonded Turntrans-69.9-10.5-179.9-61.2-172.5177-172.10114.1R196R196-K198 PolarHBondContact O-N 3.15Å
199N97.5Very high97.1Very high66 Ų6660.1 Ų60.135%0.35329%0.285SS..SBendtrans-82.9123.9-178-73.97.6000110R196 R197 S201 A202R196-N199 HydrophobicContact CB-CB 4.13Å; R196-N199 PolarHBondContact O-N 3.33Å; R196-N199 VanDerWaalsContact O-N 3.15Å; R197-N199 PolarHBondContact O-N 2.77Å; N199-S201 PolarHBondContact O-N 2.66Å; N199-A202 PolarHBondContact O-N 2.77Å
200T97.7Very high95.9Very high56 Ų5666.5 Ų66.534%0.34431%0.314SS..G310 helixtrans-56.5-25.3-177.757.50000115.1Y88 A202 H203Y88-T200 VanDerWaalsContact CB-O 3.32Å; Y88-T200 WeakPolarHBondContact CB-O 3.28Å; Y88-T200 VanDerWaalsContact CD1-CB 3.47Å; Y88-T200 HydrophobicContact CD1-CG2 4.06Å; Y88-T200 HydrophobicContact CD2-CG2 4.32Å; Y88-T200 HydrophobicContact CE1-CG2 3.87Å; Y88-T200 HydrophobicContact CE2-CG2 4.15Å; Y88-T200 HydrophobicContact CG-CG2 4.27Å; T200-A202 PolarHBondContact O-N 3.37Å; T200-H203 VanDerWaalsContact CA-CD2 3.42Å; T200-H203 WeakPolarHBondContact CA-CD2 3.07Å; T200-H203 WeakPolarHBondContact O-CB 3.47Å; T200-H203 PolarHBondContact O-N 2.91Å
201S98.2Very high94Very high10 Ų1072.7 Ų72.77%0.0736%0.364CS..G310 helixtrans-55.8-21.217260.70000115A182 L183 K190 N199A182-S201 CarbonylContact C-O 3.58Å; A182-S201 WeakPolarHBondContact CA-O 3.37Å; A182-S201 WeakPolarHBondContact CB-O 3.48Å; L183-S201 PolarHBondContact N-O 2.7Å; L183-S201 VanDerWaalsContact O-CB 3.27Å; L183-S201 WeakPolarHBondContact O-CB 3.38Å; K190-S201 PolarHBondContact NZ-OG 2.97Å; K190-S201 VanDerWaalsContact NZ-OG 3.1Å; N199-S201 PolarHBondContact O-N 2.66Å
202A98.6Very high93.8Very high0 Ų070.3 Ų70.30%036%0.359CS..G310 helixtrans-99.20.6179.700000113.8F180 V181 A182 N199 T200 F204F180-A202 HydrophobicContact CB-CB 3.84Å; F180-A202 HydrophobicContact CG-CB 4.39Å; V181-A202 WeakPolarHBondContact O-CA 3.35Å; A182-A202 HydrophobicContact CB-CB 4.15Å; N199-A202 PolarHBondContact O-N 2.77Å; T200-A202 PolarHBondContact O-N 3.37Å; A202-F204 WeakPolarHBondContact O-CD2 3.46Å
203H98.8Very high93.5Very high7 Ų773.9 Ų73.93%0.03238%0.378CS..  trans-91.9132.4-178.8-67.8-34.3000111.3S87 Y88 N162 Y164 N165 T166 R197 T200S87-H203 WeakPolarHBondContact CA-O 3.25Å; Y88-H203 PolarHBondContact N-O 2.92Å; N162-H203 PolarHBondContact ND2-CD2 2.99Å; N162-H203 VanDerWaalsContact ND2-CD2 3.27Å; N162-H203 PolarHBondContact ND2-NE2 3.48Å; Y164-H203 HydrophobicContact CD1-CB 3.91Å; Y164-H203 HydrophobicContact CG-CB 3.9Å; N165-H203 WeakPolarHBondContact O-CA 3.29Å; T166-H203 VanDerWaalsContact CG2-ND1 3.34Å; T166-H203 WeakPolarHBondContact CG2-ND1 3.28Å; R197-H203 PolarHBondContact O-CE1 3.15Å; T200-H203 VanDerWaalsContact CA-CD2 3.42Å; T200-H203 WeakPolarHBondContact CA-CD2 3.07Å; T200-H203 WeakPolarHBondContact O-CB 3.47Å; T200-H203 PolarHBondContact O-N 2.91Å
204F98.8Very high93.3Very high1 Ų173.9 Ų73.90%0.00438%0.38CS..EExtended strand (participates in β ladder)trans-134135.9178.4-62.9-95.9000110.5L85 Y86 L93 N165 Y167 V181 L183 A202L85-F204 HydrophobicContact CB-CB 4.34Å; L85-F204 HydrophobicContact CB-CD1 4.08Å; L85-F204 HydrophobicContact CD2-CB 4.43Å; Y86-F204 CarbonylContact O-C 3.41Å; Y86-F204 WeakPolarHBondContact O-CA 3.4Å; L93-F204 HydrophobicContact CB-CE1 4.33Å; L93-F204 HydrophobicContact CD1-CE1 4.33Å; N165-F204 WeakPolarHBondContact CA-O 3.42Å; N165-F204 PolarHBondContact N-O 2.9Å; N165-F204 PolarHBondContact O-N 3.22Å; Y167-F204 HydrophobicContact CD2-CB 4.47Å; Y167-F204 HydrophobicContact CD2-CD2 4.11Å; Y167-F204 HydrophobicContact CE2-CB 4.05Å; V181-F204 HydrophobicContact CG1-CE2 4.22Å; V181-F204 HydrophobicContact CG1-CZ 4.08Å; V181-F204 WeakPolarHBondContact O-CE2 3.41Å; L183-F204 HydrophobicContact CD1-CE1 4.08Å; L183-F204 HydrophobicContact CG-CE1 4.15Å; L183-F204 HydrophobicContact CG-CZ 4.15Å; A202-F204 WeakPolarHBondContact O-CD2 3.46Å
205L97.9Very high93Very high64 Ų6469.4 Ų69.434%0.33536%0.364SS..EExtended strand (participates in β ladder)trans-96.5116.6173.8-176.365.2000108.8Y86 Y164 M207Y86-L205 PolarHBondContact N-O 3.44Å; Y86-L205 PolarHBondContact O-N 2.98Å; Y164-L205 HydrophobicContact CD1-CB 3.93Å; Y164-L205 HydrophobicContact CE1-CB 3.77Å; L205-M207 HydrophobicContact CD2-CG 4.49Å; L205-M207 HydrophobicContact CG-CG 4.45Å; L205-M207 PolarHBondContact O-N 3.27Å
206P96.5Very high92.7Very high20 Ų2073.7 Ų73.713%0.1339%0.386CS..EExtended strand (participates in β ladder)trans-72.3110.4173.3-13.729000110.4R83 L85 N165R83-P206 HydrophobicContact CG-CB 4.45Å; L85-P206 HydrophobicContact CD2-CB 4.16Å; L85-P206 HydrophobicContact CD2-CG 4.18Å; N165-P206 HydrophobicContact CB-CG 4.36Å; N165-P206 WeakPolarHBondContact ND2-CG 3.29Å
207M95.7Very high92.4Very high75 Ų7571.8 Ų71.837%0.36939%0.386SS..EExtended strand (participates in β ladder)trans-97.8138.6177.9-63.2178.969.200110.6R83 K84 Y86 F92 L205R83-M207 CarbonylContact C-O 3.57Å; R83-M207 WeakPolarHBondContact CA-O 3.25Å; R83-M207 WeakPolarHBondContact CB-O 3.21Å; R83-M207 VanDerWaalsContact CD-O 3.29Å; R83-M207 WeakPolarHBondContact CD-O 3.26Å; K84-M207 HydrophobicContact CB-CB 4.42Å; K84-M207 PolarHBondContact N-O 3.12Å; K84-M207 PolarHBondContact O-N 2.87Å; Y86-M207 VanDerWaalsContact CB-SD 3.56Å; Y86-M207 HydrophobicContact CD1-SD 4.36Å; Y86-M207 HydrophobicContact CG-SD 3.95Å; F92-M207 HydrophobicContact CE1-SD 3.76Å; F92-M207 HydrophobicContact CZ-SD 4.38Å; L205-M207 HydrophobicContact CD2-CG 4.49Å; L205-M207 HydrophobicContact CG-CG 4.45Å; L205-M207 PolarHBondContact O-N 3.27Å
208V92.1Very high92Very high101 Ų10170.1 Ų70.161%0.61239%0.388SS*.EExtended strand (participates in β ladder)trans-66.4139.5173.7-177.10000109.4
209V88.5Confident91.7Very high37 Ų3761.8 Ų61.822%0.22436%0.359CS..  trans-93.9111.9170-178.40000106.7K84 I113 S211K84-V209 HydrophobicContact CG-CG2 3.91Å; I113-V209 HydrophobicContact CG2-CG2 4.42Å; V209-S211 PolarHBondContact O-N 3.25Å
210M73.1Confident91.2Very high182 Ų18261.5 Ų61.590%0.89736%0.359SS*.  trans-73.5122.8169.3-58.7178-158.500107.1
211S58.6Low90.6Very high185 Ų18562 Ų62100%1.29436%0.361SS*.  trans-101.30176.756.90000110.5V209V209-S211 PolarHBondContact O-N 3.25Å

Retrieved 211 of 211 residues in 33 ms (Link to these results)