A0A060WA74_ONCMY Loading...

C1q domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WA74, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500392, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36.1Very low35Very low235 Ų235152.5 Ų152.5100%1.15883%0.832SS**  01260-102.4172.5171.700108
2Q33.2Very low35.7Very low184 Ų184147.3 Ų147.386%0.8681%0.811SS**  trans62.9146.6158.2-68.3172.4-19.400118.4
3R29.4Very low35.2Very low218 Ų218149.1 Ų149.182%0.82381%0.809SS**  cis173.2122.2-29.3-119.3-169.1-171.6-163.94.3103.3
4L32.9Very low36Very low149 Ų149146.5 Ų146.578%0.7880%0.804SS**  trans60.9167.4147.2-75.3152.4000118.8
5P39.9Very low36.3Very low114 Ų114147.1 Ų147.174%0.7480%0.804SS**  cis-135.71677.239.2-19.8000116.8
6L35.2Very low37Very low158 Ų158147 Ų14783%0.82780%0.8SS**  trans-85.1-169.9150.9-71.8165000108.8
7P50.3Low37.8Very low110 Ų110147 Ų14771%0.71481%0.806SS**  -116.8174.4-73.135.7-19.7000110.7
8C28.7Very low38.7Very low123 Ų123146.3 Ų146.383%0.83180%0.8SS**  trans-149.8115.4157.9-108.90000111.9
9S32.2Very low39.6Very low105 Ų105144.8 Ų144.873%0.73479%0.791SS**  trans45.2130.2137.159.10000118.7
10S31.5Very low40.2Very low116 Ų116145.9 Ų145.981%0.81179%0.79SS**  cis179.3139.843.836.10000109.3
11L35.7Very low40.8Very low166 Ų166143.1 Ų143.187%0.86979%0.787SS**  trans-87.3168.5151.1-86.8152.3000107.5
12P43.4Very low41.6Very low90 Ų90138.1 Ų138.158%0.58477%0.765SS**  cis-137.6172.46.827.5-2.9000114.3
13H29.6Very low42.5Very low170 Ų170136.9 Ų136.979%0.78776%0.757SS**  175.2146.8118-84.5-43.9000112.3
14P45.8Very low43.6Very low113 Ų113132 Ų13273%0.73475%0.746SS**  trans-91.3134.4-167.735.5-29.6000110.9
15I40.6Very low44.6Very low156 Ų156126.5 Ų126.580%0.873%0.725SS**  trans-132.495.7167.4-56.7-179.5000109.2
16I47.8Very low45.1Very low145 Ų145126.8 Ų126.874%0.74472%0.72SS**  trans45.692.4134.8-51.6168.8000115.4L18I16-L18 HydrophobicContact CG2-CB 4.15Å; I16-L18 PolarHBondContact O-N 2.74Å
17T50Low46Very low147 Ų147123.7 Ų123.790%0.90270%0.704SS**  trans-75.889.4159.741.30000110.2
18L54Low46Very low134 Ų134123.9 Ų123.970%0.70270%0.698SS**  trans-149.588.4165.8-163.878.7000109.5I16I16-L18 HydrophobicContact CG2-CB 4.15Å; I16-L18 PolarHBondContact O-N 2.74Å
19N56.4Low47.1Very low119 Ų119124.4 Ų124.464%0.63669%0.691SS**SBendtrans-178.3-0.1152.5-99.5-22000117.5
20H51.6Low47.8Very low166 Ų166126.4 Ų126.477%0.76969%0.693SS**Hα-helixtrans-80.2-26.5179.6-81.8-67.8000114.9L24H20-L24 PolarHBondContact O-N 3.34Å
21A53.3Low48.6Very low88 Ų88127.9 Ų127.973%0.72769%0.687SS**Hα-helixtrans-75.3-33.1-177.700000113.6G25A21-G25 PolarHBondContact O-N 2.91Å
22L52.1Low49.3Very low130 Ų130131.1 Ų131.168%0.68169%0.688SS**Hα-helixtrans-74.8-32178.9-83.8156.4000112.5L26L22-L26 PolarHBondContact O-N 3.41Å
23F52.9Low49.8Very low158 Ų158129.2 Ų129.269%0.69368%0.684SS**Hα-helixtrans-73.4-35.6179-129.7-87.3000112.6I27F23-I27 HydrophobicContact CD1-CD1 4.41Å
24L52.7Low50.9Low114 Ų114127.3 Ų127.360%0.59769%0.687SS**Hα-helixtrans-71.2-34.1175.1-84156000112.4H20 L28H20-L24 PolarHBondContact O-N 3.34Å; L24-L28 PolarHBondContact O-N 3.41Å
25G52.5Low51.1Low34 Ų34130.3 Ų130.335%0.35170%0.696SS.*Hα-helixtrans-66.3-36.3176.800000113.8A21 I29A21-G25 PolarHBondContact O-N 2.91Å; G25-I29 WeakPolarHBondContact O-CG1 3.36Å
26L51.6Low51.2Low121 Ų121126 Ų12663%0.63469%0.69SS**Hα-helixtrans-74.2-30.4-178.8-150.380.6000112.9L22L22-L26 PolarHBondContact O-N 3.41Å
27I53.2Low51.4Low93 Ų93123.5 Ų123.548%0.47769%0.691SS.*Hα-helixtrans-72.2-34.6177.6-68.1173.5000111.4F23 I29F23-I27 HydrophobicContact CD1-CD1 4.41Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.37Å
28L49.7Very low51.3Low114 Ų114126.9 Ų126.960%0.59769%0.687SS**Hα-helixtrans-70.8-27.4178.2-94.1149.7000113.4L24L24-L28 PolarHBondContact O-N 3.41Å
29I52.1Low51.1Low133 Ų133123.9 Ų123.968%0.68268%0.682SS**Hα-helixtrans-81-25.2179.3-62.3168.8000111.8G25 I27 Q31G25-I29 WeakPolarHBondContact O-CG1 3.36Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.37Å; I29-Q31 VanDerWaalsContact C-N 3.34Å
30L47.9Very low50.7Low147 Ų147124.3 Ų124.377%0.7768%0.68SS**Hα-helixtrans-78.4-13.9175.1-82.4160.3000113.9
31Q48.1Very low50.7Low147 Ų147123 Ų12369%0.68768%0.678SS**THydrogen-bonded Turntrans-88.3-10.2177.8-79-171.9-1900114.2I29I29-Q31 VanDerWaalsContact C-N 3.34Å
32W49.3Very low50.7Low235 Ų235124.1 Ų124.189%0.8967%0.672SS**  trans-112.154.3177.9-7617.5000111.1
33G55.4Low51.1Low50 Ų50123.7 Ų123.752%0.51568%0.676SS.*SBendtrans-64.7150.5153.600000109.2L35G33-L35 PolarHBondContact O-N 3.18Å; G33-L35 VanDerWaalsContact O-N 3.16Å
34P51.7Low51.5Low130 Ų130124 Ų12484%0.84468%0.679SS**  trans-53.3129.5178.722.1-30.8000108.5G36P34-G36 PolarHBondContact O-N 3.42Å
35L49.8Very low51.7Low175 Ų175123.7 Ų123.792%0.91668%0.684SS**  trans-57.988.6160.4-95121.1000105.7G33 A37G33-L35 PolarHBondContact O-N 3.18Å; G33-L35 VanDerWaalsContact O-N 3.16Å; L35-A37 PolarHBondContact O-N 3.14Å
36G44.1Very low52.3Low65 Ų65129 Ų12967%0.6770%0.703SS**  trans-57.299.6158.200000104P34 R38P34-G36 PolarHBondContact O-N 3.42Å; G36-R38 PolarHBondContact O-N 3.19Å
37A50.8Low52.7Low94 Ų94128.5 Ų128.578%0.77770%0.704SS**  trans-56.792157.800000104.2L35 A39L35-A37 PolarHBondContact O-N 3.14Å; A37-A39 PolarHBondContact O-N 2.8Å
38R47.4Very low52.6Low218 Ų218131.4 Ų131.482%0.82372%0.72SS**  trans-68.682.9162.5-151.8-177.3-170.2-164.41.8102.4G36 Q40G36-R38 PolarHBondContact O-N 3.19Å; R38-Q40 PolarHBondContact O-N 3.12Å
39A49.4Very low52.9Low71 Ų71135 Ų13559%0.58773%0.734SS**  trans-58.793.6160.900000103.4A37 N41A37-A39 PolarHBondContact O-N 2.8Å; A39-N41 PolarHBondContact O-N 2.74Å
40Q48.8Very low53.2Low128 Ų128131.6 Ų131.660%0.59873%0.732SS**  trans-69.588.3171.7-172.9145.8-27.100103.2R38 D42R38-Q40 PolarHBondContact O-N 3.12Å; Q40-D42 HydrophobicContact CG-CB 4.07Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.4Å; Q40-D42 WeakPolarHBondContact CG-OD2 3.43Å; Q40-D42 PolarHBondContact NE2-OD2 3.28Å; Q40-D42 PolarHBondContact O-N 3.47Å
41N52.7Low53.9Low137 Ų137135.2 Ų135.273%0.73374%0.742SS**  trans-70.556.3169.8-71.9-16.3000107.8A39 T43A39-N41 PolarHBondContact O-N 2.74Å; N41-T43 PolarHBondContact O-N 2.9Å
42D51.4Low54.5Low112 Ų112133.5 Ų133.560%0.59974%0.744SS**  trans-75.760.4167.3-752.3000107.4Q40 E44Q40-D42 HydrophobicContact CG-CB 4.07Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.4Å; Q40-D42 WeakPolarHBondContact CG-OD2 3.43Å; Q40-D42 PolarHBondContact NE2-OD2 3.28Å; Q40-D42 PolarHBondContact O-N 3.47Å; D42-E44 PolarHBondContact O-N 2.87Å
43T61.3Low55.3Low122 Ų122126.5 Ų126.575%0.74872%0.724SS**  trans-78.877.8148.832.10000105.6N41N41-T43 PolarHBondContact O-N 2.9Å
44E62.1Low55.9Low163 Ų163129.3 Ų129.376%0.76273%0.731SS**  trans-51.8126156.6-71.5-167.7162.600106.3D42 I46D42-E44 PolarHBondContact O-N 2.87Å; E44-I46 PolarHBondContact O-N 2.83Å
45P55.9Low56.6Low109 Ų109127 Ų12771%0.70872%0.715SS**  trans-59.5121.517923.9-31.4000107.4V47P45-V47 VanDerWaalsContact C-N 3.32Å; P45-V47 PolarHBondContact O-N 3.22Å
46I65.1Low57.6Low146 Ų146123.5 Ų123.575%0.74970%0.703SS**  trans-61.9102.6169-62.1173.6000105.6E44 L48E44-I46 PolarHBondContact O-N 2.83Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CG2-CD2 3.72Å; I46-L48 HydrophobicContact CG2-CG 4.2Å; I46-L48 PolarHBondContact O-N 2.97Å
47V60.9Low58.3Low109 Ų109125 Ų12566%0.66170%0.696SS**  trans-69.797.8170.9-178.20000105.9P45 E49P45-V47 VanDerWaalsContact C-N 3.32Å; P45-V47 PolarHBondContact O-N 3.22Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.4Å
48L50.2Low58.3Low154 Ų154125.5 Ų125.581%0.80669%0.694SS**  trans-71.788.9170.2-64.2175.7000107.5I46 G50I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CG2-CD2 3.72Å; I46-L48 HydrophobicContact CG2-CG 4.2Å; I46-L48 PolarHBondContact O-N 2.97Å; L48-G50 PolarHBondContact O-N 3.22Å
49E55.9Low58.6Low189 Ų189118.6 Ų118.688%0.88368%0.676SS**  trans-68.795.7170.4-67.3-168.4172.100109.1V47V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.4Å
50G58Low58.5Low63 Ų63120.6 Ų120.665%0.64968%0.683SS**  trans-126.5144.6176.400000111.4L48 C52L48-G50 PolarHBondContact O-N 3.22Å; G50-C52 PolarHBondContact O-N 2.93Å
51K63Low58.5Low223 Ų223119.4 Ų119.497%0.9769%0.689SS**  trans-80.4103.5166.9-69.1-177.8-179.3179.10108.2
52C62.2Low58.2Low110 Ų110117.6 Ų117.674%0.74369%0.687SS**  trans-93.4129.5173.9-171.80000109.9G50G50-C52 PolarHBondContact O-N 2.93Å
53L65.9Low58.2Low88 Ų88121 Ų12146%0.46170%0.699SS.*  trans-97.9113.2165.4-171.371.7000108.3V55 F206 V208L53-V55 HydrophobicContact CD2-CG2 4.28Å; L53-V55 HydrophobicContact CG-CG2 4.36Å; L53-F206 HydrophobicContact CD2-CE2 3.65Å; L53-F206 HydrophobicContact CD2-CZ 3.53Å; L53-V208 HydrophobicContact CD2-CG1 3.93Å; L53-V208 HydrophobicContact CD2-CG2 3.9Å
54V68Low57.7Low109 Ų109119.9 Ų119.966%0.66169%0.694SS**  trans-92.8115.4175.2-175.30000108.3
55V66.5Low57.5Low83 Ų83117.9 Ų117.950%0.50370%0.698SS.*  trans-101.2103172.5-175.70000107.6L53 F206L53-V55 HydrophobicContact CD2-CG2 4.28Å; L53-V55 HydrophobicContact CG-CG2 4.36Å; V55-F206 HydrophobicContact CG2-CE2 4.15Å
56C69.4Low57Low101 Ų101116.2 Ų116.268%0.68270%0.701SS**  trans-84.3120.5175.6-63.40000109.6S58C56-S58 PolarHBondContact O-N 2.76Å
57D59.8Low56.5Low96 Ų96117.8 Ų117.851%0.51371%0.71SS.*  trans-84.685.4170.2-165.8-3000108.6T59 V73D57-T59 PolarHBondContact O-N 2.87Å; D57-V73 VanDerWaalsContact CG-CG1 3.5Å; D57-V73 WeakPolarHBondContact OD1-CG1 3.34Å; D57-V73 VanDerWaalsContact OD2-CG1 3.25Å; D57-V73 WeakPolarHBondContact OD2-CG1 3.5Å
58S50.3Low55.6Low104 Ų104116.9 Ų116.973%0.72771%0.714SS**  trans-77.288.2175.8380000109.8C56 P60C56-S58 PolarHBondContact O-N 2.76Å; S58-P60 WeakPolarHBondContact O-CD 3.31Å
59T53.8Low55.5Low73 Ų73118.8 Ų118.845%0.44872%0.724SS.*  trans-93.6100.8157.258.60000109.5D57 S61 V73D57-T59 PolarHBondContact O-N 2.87Å; T59-S61 PolarHBondContact O-N 3.13Å; T59-V73 HydrophobicContact CG2-CB 4.37Å
60P46.9Very low54.9Low114 Ų114112.6 Ų112.674%0.7471%0.711SS**  trans-67.3116.3164.827-29.9000108.2S58 S62S58-P60 WeakPolarHBondContact O-CD 3.31Å; P60-S62 PolarHBondContact O-N 2.79Å
61S49.3Very low54.4Low102 Ų102114.8 Ų114.871%0.71371%0.705SS**  trans-77.8104.3172540000109.9T59T59-S61 PolarHBondContact O-N 3.13Å
62S45.6Very low53.4Low99 Ų99107.4 Ų107.469%0.69268%0.682SS**  trans-152.796.6159.860.40000112P60P60-S62 PolarHBondContact O-N 2.79Å
63E51.1Low52.8Low185 Ų185105.6 Ų105.686%0.86467%0.667SS**  trans66.2164.6143.3-68.7-63121.300120.2
64P52.5Low51.9Low98 Ų98110.4 Ų110.464%0.63668%0.679SS**  trans-102.7159.6-131.339.4-37.3000116.1
65S56.9Low51.2Low121 Ų121108.8 Ų108.885%0.84667%0.673SS**  trans45.1109.2158.4630000118.7
66G44.8Very low50.7Low74 Ų74106.9 Ų106.976%0.76367%0.67SS**  trans170.9110160.500000111.4A68G66-A68 PolarHBondContact O-N 3.09Å
67N54.9Low50.2Low178 Ų178106.2 Ų106.295%0.95267%0.672SS**  trans-23.4116.5178.3-70.3-15.4000116.2
68A41.9Very low50.8Low90 Ų90103 Ų10374%0.74466%0.662SS**  trans-150.2144154.300000108.1G66 G70G66-A68 PolarHBondContact O-N 3.09Å; A68-G70 PolarHBondContact O-N 3.08Å
69L49.5Very low52.6Low195 Ų195105.8 Ų105.8100%1.02166%0.656SS**  trans-66.741.8175.9-72.2159.8000112.9
70G42Very low54.6Low58 Ų58102.7 Ų102.760%0.59864%0.637SS**  trans-87.6108.7175.600000109A68 S72A68-G70 PolarHBondContact O-N 3.08Å; G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 2.7Å
71M47.5Very low57Low109 Ų10998.6 Ų98.654%0.53761%0.613SS.*  trans-51.299.6162.5-72.5164.622.100109.1V73 R126 P210M71-V73 PolarHBondContact O-N 3.35Å; M71-R126 PolarHBondContact SD-NH1 2.83Å; M71-R126 PolarHBondContact SD-NH2 3.14Å; M71-P210 HydrophobicContact CE-CB 4.16Å; M71-P210 HydrophobicContact CE-CG 3.83Å
72S43.3Very low59.3Low68 Ų6894 Ų9448%0.47658%0.58SS.*  trans-65.8118.4175.3-171.40000108G70 R74 S75G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 2.7Å; S72-R74 PolarHBondContact O-N 2.92Å; S72-R74 VanDerWaalsContact OG-CB 3.3Å; S72-R74 WeakPolarHBondContact OG-CB 3.41Å; S72-R74 WeakPolarHBondContact OG-CG 3.44Å; S72-R74 PolarHBondContact OG-N 3Å; S72-S75 PolarHBondContact O-N 3.16Å
73V48.4Very low61.9Low72 Ų7290.6 Ų90.644%0.43656%0.557SS.*THydrogen-bonded Turntrans-59.4-8.9171.9-166.90000111.7D57 T59 M71 S75D57-V73 VanDerWaalsContact CG-CG1 3.5Å; D57-V73 WeakPolarHBondContact OD1-CG1 3.34Å; D57-V73 VanDerWaalsContact OD2-CG1 3.25Å; D57-V73 WeakPolarHBondContact OD2-CG1 3.5Å; T59-V73 HydrophobicContact CG2-CB 4.37Å; M71-V73 PolarHBondContact O-N 3.35Å; V73-S75 VanDerWaalsContact C-N 3.26Å; V73-S75 PolarHBondContact O-N 3.23Å
74R48.4Very low64.1Low189 Ų18981.8 Ų81.871%0.71352%0.516SS*.THydrogen-bonded Turntrans-66.5-22.1170.9-58.4-176.5176.7-156.3-0.8113.9S72 G76S72-R74 PolarHBondContact O-N 2.92Å; S72-R74 VanDerWaalsContact OG-CB 3.3Å; S72-R74 WeakPolarHBondContact OG-CB 3.41Å; S72-R74 WeakPolarHBondContact OG-CG 3.44Å; S72-R74 PolarHBondContact OG-N 3Å; R74-G76 PolarHBondContact O-N 3.29Å
75S52.9Low66.3Low75 Ų7578.2 Ų78.252%0.52449%0.492SS..SBendtrans-80.7119.7170.8-1010000109.2S72 V73 A77 G78S72-S75 PolarHBondContact O-N 3.16Å; V73-S75 VanDerWaalsContact C-N 3.26Å; V73-S75 PolarHBondContact O-N 3.23Å; S75-A77 PolarHBondContact O-N 2.77Å; S75-G78 PolarHBondContact O-N 3.04Å
76G54.9Low68.2Low43 Ų4373.4 Ų73.444%0.44346%0.455SS..G310 helixtrans-50.9-9.4169.300000114.7R74 G78R74-G76 PolarHBondContact O-N 3.29Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.46Å
77A58.6Low70.6Confident88 Ų8873.7 Ų73.773%0.72744%0.439SS*.G310 helixtrans-66.1-13.2171.100000115.8S75S75-A77 PolarHBondContact O-N 2.77Å
78G73.5Confident72.4Confident29 Ų2967 Ų6730%0.29941%0.405SS..G310 helixtrans-88.9-18.317700000114.8S75 G76S75-G78 PolarHBondContact O-N 3.04Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.46Å
79R87.6Confident74.7Confident161 Ų16166.6 Ų66.661%0.60839%0.39SS*.  trans-88.4130.3-174.9-69.3-178.5-80.2-171.9-6.6110.1V111R79-V111 HydrophobicContact CB-CG1 4Å; R79-V111 WeakPolarHBondContact O-CG1 3.34Å
80V95.6Very high76.6Confident8 Ų863.5 Ų63.55%0.04837%0.37CS..  trans-138.2120.7-179.5-178.70000108.4F122 P125 F130 F206 L207V80-F122 HydrophobicContact CG1-CE2 3.76Å; V80-F122 HydrophobicContact CG1-CZ 3.7Å; V80-P125 HydrophobicContact CG1-CG 4.28Å; V80-P125 HydrophobicContact CG2-CG 3.71Å; V80-F130 HydrophobicContact CG1-CE1 4.18Å; V80-F206 CarbonylContact O-C 3.47Å; V80-F206 VanDerWaalsContact O-CA 3.24Å; V80-F206 WeakPolarHBondContact O-CA 3.44Å; V80-F206 VanDerWaalsContact O-CB 3.28Å; V80-F206 WeakPolarHBondContact O-CB 3.34Å; V80-L207 HydrophobicContact CB-CB 3.81Å; V80-L207 HydrophobicContact CG2-CB 4.34Å; V80-L207 HydrophobicContact CG2-CD2 4.28Å; V80-L207 PolarHBondContact O-N 3.38Å
81A97.3Very high78.8Confident28 Ų2865 Ų6523%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-157.4144.8176.800000110.3V109 N110 V111 G205 F206A81-V109 HydrophobicContact CB-CG1 4.25Å; A81-N110 CarbonylContact O-C 3.59Å; A81-N110 WeakPolarHBondContact O-CA 3.12Å; A81-V111 HydrophobicContact CB-CB 4.36Å; A81-V111 HydrophobicContact CB-CG2 4.37Å; A81-V111 PolarHBondContact N-O 3.07Å; A81-V111 PolarHBondContact O-N 3.36Å; A81-G205 CarbonylContact C-O 3.51Å; A81-G205 WeakPolarHBondContact CA-O 3.36Å; A81-F206 HydrophobicContact CB-CB 3.8Å
82F98.6Very high80.6Confident5 Ų560.5 Ų60.52%0.02234%0.341CS..EExtended strand (participates in β ladder)trans-138.9155.3168.976.6-80.3000111.1V109 F115 F122 F132 F203 S204 G205F82-V109 CarbonylContact C-O 3.58Å; F82-V109 WeakPolarHBondContact CA-O 3.48Å; F82-F115 HydrophobicContact CB-CB 3.74Å; F82-F115 HydrophobicContact CB-CG 4.26Å; F82-F115 HydrophobicContact CD1-CD2 4.49Å; F82-F115 HydrophobicContact CD2-CB 4.12Å; F82-F115 AromaticContact CD2-CD2 3.33Å; F82-F115 HydrophobicContact CD2-CD2 3.33Å; F82-F115 AromaticContact CD2-CE2 3.77Å; F82-F115 HydrophobicContact CD2-CE2 3.77Å; F82-F115 AromaticContact CD2-CG 3.76Å; F82-F115 HydrophobicContact CD2-CG 3.76Å; F82-F115 AromaticContact CE2-CD2 3.53Å; F82-F115 HydrophobicContact CE2-CD2 3.53Å; F82-F115 AromaticContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CG 4.39Å; F82-F115 HydrophobicContact CG-CB 3.91Å; F82-F115 AromaticContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CG 4.08Å; F82-F115 HydrophobicContact CZ-CD2 4.2Å; F82-F115 HydrophobicContact CZ-CE2 4.43Å; F82-F122 HydrophobicContact CD1-CB 4.39Å; F82-F122 AromaticContact CD1-CD2 3.39Å; F82-F122 HydrophobicContact CD1-CD2 3.39Å; F82-F122 AromaticContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CG 4.05Å; F82-F122 HydrophobicContact CE1-CB 3.9Å; F82-F122 AromaticContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CE2 4.26Å; F82-F122 AromaticContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CG-CD2 4.25Å; F82-F122 HydrophobicContact CZ-CB 4.16Å; F82-F122 HydrophobicContact CZ-CG 4.49Å; F82-F132 HydrophobicContact CE1-CD1 4.01Å; F82-F132 AromaticContact CE1-CE1 3.64Å; F82-F132 HydrophobicContact CE1-CE1 3.64Å; F82-F132 AromaticContact CZ-CD1 3.92Å; F82-F132 HydrophobicContact CZ-CD1 3.92Å; F82-F132 AromaticContact CZ-CE1 3.87Å; F82-F132 HydrophobicContact CZ-CE1 3.87Å; F82-F203 AromaticContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD2 4.29Å; F82-F203 AromaticContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE2 4.38Å; F82-F203 AromaticContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CZ 4.16Å; F82-F203 HydrophobicContact CZ-CD1 4.14Å; F82-F203 HydrophobicContact CZ-CD2 4.25Å; F82-F203 AromaticContact CZ-CE1 3.81Å; F82-F203 HydrophobicContact CZ-CE1 3.81Å; F82-F203 AromaticContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CG 4.35Å; F82-F203 AromaticContact CZ-CZ 3.7Å; F82-F203 HydrophobicContact CZ-CZ 3.7Å; F82-S204 WeakPolarHBondContact O-CA 3.34Å; F82-S204 WeakPolarHBondContact O-CB 3.38Å; F82-G205 WeakPolarHBondContact CD1-O 3.37Å; F82-G205 PolarHBondContact N-O 3.37Å; F82-G205 PolarHBondContact O-N 3.47Å
83S98.7Very high82.6Confident29 Ų2960.7 Ų60.720%0.20334%0.342CS..EExtended strand (participates in β ladder)trans-150.5125.6171.7-176.90000108.3L108 V109S83-L108 PolarHBondContact O-N 2.84Å; S83-V109 PolarHBondContact N-O 2.88Å; S83-V109 PolarHBondContact O-N 2.83Å; S83-V109 VanDerWaalsContact O-N 3.12Å
84A98.6Very high84.2Confident0 Ų065.8 Ų65.80%036%0.361CS..EExtended strand (participates in β ladder)trans-132.3146.8-177.600000110.3F104 Q106 I107 F115 T202 F203A84-F104 HydrophobicContact CB-CB 3.64Å; A84-F104 HydrophobicContact CB-CG 4.09Å; A84-Q106 CarbonylContact C-O 3.6Å; A84-Q106 VanDerWaalsContact CA-O 3.32Å; A84-Q106 WeakPolarHBondContact CA-O 3.29Å; A84-I107 HydrophobicContact CB-CD1 3.69Å; A84-F115 HydrophobicContact CB-CE1 3.9Å; A84-F115 HydrophobicContact CB-CZ 4.02Å; A84-T202 WeakPolarHBondContact O-CA 3.4Å; A84-F203 PolarHBondContact N-O 2.69Å; A84-F203 PolarHBondContact O-N 3.16Å
85V98.4Very high85.7Confident23 Ų2362.9 Ų62.914%0.13936%0.357CS..EExtended strand (participates in β ladder)trans-134.4152.1-178.2-56.40000111.4D105 Q106 L108 S201 T202V85-D105 PolarHBondContact O-N 2.85Å; V85-Q106 HydrophobicContact CG2-CB 3.78Å; V85-Q106 HydrophobicContact CG2-CG 4.04Å; V85-Q106 PolarHBondContact N-O 3.17Å; V85-Q106 PolarHBondContact O-N 2.98Å; V85-Q106 VanDerWaalsContact O-N 3.07Å; V85-L108 HydrophobicContact CG1-CD1 3.58Å; V85-L108 HydrophobicContact CG1-CG 4.14Å; V85-L108 HydrophobicContact CG2-CD1 4.36Å; V85-L108 HydrophobicContact CG2-CD2 4.25Å; V85-L108 HydrophobicContact CG2-CG 4.24Å; V85-S201 CarbonylContact C-O 3.49Å; V85-S201 VanDerWaalsContact CA-O 3.29Å; V85-S201 WeakPolarHBondContact CA-O 3.33Å; V85-T202 HydrophobicContact CG1-CG2 3.91Å
86R97.2Very high87.1Confident19 Ų1960 Ų607%0.07234%0.337CS..  trans-93.4113.6169.8-175.174176.1162.4-15.6109T88 H90 F104 D105 W198 K199 Y200 S201R86-T88 WeakPolarHBondContact CG-O 3.34Å; R86-T88 PolarHBondContact NE-O 3.47Å; R86-T88 PolarHBondContact NE-OG1 3.24Å; R86-T88 PolarHBondContact NH1-OG1 3.37Å; R86-H90 PolarHBondContact NH2-O 2.96Å; R86-F104 HydrophobicContact CB-CD1 4.46Å; R86-D105 WeakPolarHBondContact CD-OD1 3.41Å; R86-D105 IonicContact CZ-OD1 2.7Å; R86-D105 IonicContact NE-OD1 3.54Å; R86-D105 IonicContact NH1-OD1 2.83Å; R86-D105 PolarHBondContact NH1-OD1 3.02Å; R86-W198 WeakPolarHBondContact CB-O 3.5Å; R86-W198 VanDerWaalsContact CD-NE1 3.3Å; R86-W198 HydrophobicContact CG-CD2 4.29Å; R86-W198 HydrophobicContact CG-CG 4.01Å; R86-W198 WeakPolarHBondContact CG-O 3.44Å; R86-K199 WeakPolarHBondContact O-CA 3.31Å; R86-Y200 PolarHBondContact O-N 3.04Å; R86-S201 PolarHBondContact N-O 2.78Å
87N95.4Very high88.4Confident80 Ų8061.7 Ų61.743%0.42834%0.336SS..  trans-99.6-5.3-178.4-160.914.5000113.5D105 Q106 K199N87-D105 WeakPolarHBondContact CB-OD2 3.42Å; N87-D105 PolarHBondContact N-OD1 2.83Å; N87-D105 PolarHBondContact N-OD2 2.99Å; N87-D105 VanDerWaalsContact N-OD2 3.16Å; N87-Q106 PolarHBondContact ND2-OE1 2.83Å; N87-Q106 VanDerWaalsContact ND2-OE1 3.14Å; N87-K199 WeakPolarHBondContact O-CD 3.39Å; N87-K199 WeakPolarHBondContact O-CE 3.41Å; N87-K199 PolarHBondContact O-NZ 2.68Å
88T92.5Very high89.8Confident38 Ų3867.9 Ų67.923%0.23334%0.34CS..  trans-118.6151.6-176650000112.7R86 D105R86-T88 WeakPolarHBondContact CG-O 3.34Å; R86-T88 PolarHBondContact NE-O 3.47Å; R86-T88 PolarHBondContact NE-OG1 3.24Å; R86-T88 PolarHBondContact NH1-OG1 3.37Å; T88-D105 PolarHBondContact OG1-OD1 3.07Å; T88-D105 VanDerWaalsContact OG1-OD1 3.13Å
89N89.2Confident90.6Very high82 Ų8269.4 Ų69.444%0.43934%0.344SS..  trans-91.419.5168.7-75.2-37.5000111.9E91 K199N89-E91 PolarHBondContact O-N 3Å; N89-K199 WeakPolarHBondContact OD1-CB 3.41Å
90H89.7Confident90.9Very high130 Ų13065.3 Ų65.360%0.60233%0.333SS*.PPolyproline II helixtrans-65139.5179.9-67.4175.2000110.4R86 W198R86-H90 PolarHBondContact NH2-O 2.96Å; H90-W198 WeakPolarHBondContact O-CZ3 3.35Å
91E88.3Confident91Very high88 Ų8866 Ų6641%0.41134%0.337SS..PPolyproline II helixtrans-56.1155.3173.8-65.4-60.7161.100111.6N89 S93 M195 G196N89-E91 PolarHBondContact O-N 3Å; E91-S93 PolarHBondContact O-N 2.94Å; E91-M195 WeakPolarHBondContact OE2-CA 3.32Å; E91-M195 WeakPolarHBondContact OE2-CE 3.26Å; E91-G196 WeakPolarHBondContact OE1-CA 3.48Å; E91-G196 PolarHBondContact OE1-N 2.94Å; E91-G196 PolarHBondContact OE2-N 2.84Å
92P85Confident91Very high15 Ų1564.7 Ų64.710%0.09733%0.326CS..PPolyproline II helixtrans-57.2138.1173.2-19.530.4000111.1N97 L194 W198P92-N97 WeakPolarHBondContact CB-OD1 3.31Å; P92-L194 HydrophobicContact CG-CB 4.18Å; P92-W198 HydrophobicContact CB-CH2 4.31Å; P92-W198 HydrophobicContact CB-CZ3 4.21Å; P92-W198 HydrophobicContact CG-CH2 4.29Å; P92-W198 HydrophobicContact CG-CZ3 3.7Å
93S85.1Confident90.9Very high73 Ų7368.2 Ų68.251%0.5134%0.34SS..PPolyproline II helixtrans-67.5162170.465.70000110.9E91 M95 S96 N97E91-S93 PolarHBondContact O-N 2.94Å; S93-M95 PolarHBondContact O-N 3.01Å; S93-S96 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact OG-N 2.86Å; S93-N97 PolarHBondContact O-N 3.46Å
94E83.2Confident90.8Very high179 Ų17966.9 Ų66.984%0.83633%0.33SS*.Hα-helixtrans-53-39173.8-67.7-175168.500112.3N97 R98E94-N97 PolarHBondContact O-N 3.4Å; E94-R98 PolarHBondContact O-N 3.03Å
95M78.9Confident90.7Very high127 Ų12769.4 Ų69.463%0.62634%0.344SS*.Hα-helixtrans-63.9-45176.1-172.463.767.700111.8S93 N97 R98 T99S93-M95 PolarHBondContact O-N 3.01Å; M95-N97 VanDerWaalsContact C-N 3.32Å; M95-N97 PolarHBondContact O-N 2.78Å; M95-R98 PolarHBondContact O-N 3.48Å; M95-R98 VanDerWaalsContact O-N 3.12Å; M95-T99 HydrophobicContact CG-CG2 4.39Å; M95-T99 PolarHBondContact O-N 3.33Å; M95-T99 PolarHBondContact O-OG1 2.83Å; M95-T99 HydrophobicContact SD-CG2 4.03Å
96S82.1Confident90.6Very high14 Ų1471.9 Ų71.910%0.09835%0.354CS..Hα-helixtrans-64-38.5178-176.80000111.4S93 R98 M100 T101S93-S96 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact OG-N 2.86Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 3.4Å; S96-M100 WeakPolarHBondContact O-CA 2.91Å; S96-M100 PolarHBondContact O-N 3.17Å; S96-T101 PolarHBondContact OG-O 2.92Å
97N83.8Confident90.7Very high80 Ų8073.7 Ų73.743%0.42837%0.365SS..Hα-helixtrans-65.4-30.8173.6-76.3-27.1000112.9P92 S93 E94 M95 M100P92-N97 WeakPolarHBondContact CB-OD1 3.31Å; S93-N97 PolarHBondContact O-N 3.46Å; E94-N97 PolarHBondContact O-N 3.4Å; M95-N97 VanDerWaalsContact C-N 3.32Å; M95-N97 PolarHBondContact O-N 2.78Å; N97-M100 VanDerWaalsContact O-CE 3.26Å; N97-M100 WeakPolarHBondContact O-CE 3.34Å
98R86.9Confident90.8Very high217 Ų21774.5 Ų74.582%0.81937%0.369SS*.Hα-helixtrans-79.9-43.3178.4-171.6176.7179.6178.90.5112.7E94 M95 S96E94-R98 PolarHBondContact O-N 3.03Å; M95-R98 PolarHBondContact O-N 3.48Å; M95-R98 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 3.4Å
99T90.5Very high91.1Very high61 Ų6175.6 Ų75.637%0.37438%0.375SS..Hα-helixtrans-87-17.5-17868.50000113M95 T101M95-T99 HydrophobicContact CG-CG2 4.39Å; M95-T99 PolarHBondContact O-N 3.33Å; M95-T99 PolarHBondContact O-OG1 2.83Å; M95-T99 HydrophobicContact SD-CG2 4.03Å; T99-T101 WeakPolarHBondContact CB-OG1 3.29Å; T99-T101 PolarHBondContact O-N 3.17Å; T99-T101 VanDerWaalsContact O-N 3.16Å; T99-T101 WeakPolarHBondContact OG1-CB 3.36Å; T99-T101 PolarHBondContact OG1-N 3.16Å; T99-T101 VanDerWaalsContact OG1-N 3.17Å; T99-T101 PolarHBondContact OG1-OG1 2.79Å
100M94.8Very high91.5Very high75 Ų7573.8 Ų73.837%0.36937%0.365SS..  trans55.719.4-168.2-60.8-63-177.500113.4S96 N97 K188 L189S96-M100 WeakPolarHBondContact O-CA 2.91Å; S96-M100 PolarHBondContact O-N 3.17Å; N97-M100 VanDerWaalsContact O-CE 3.26Å; N97-M100 WeakPolarHBondContact O-CE 3.34Å; M100-K188 HydrophobicContact CB-CG 4.1Å; M100-K188 CarbonylContact O-C 3.58Å; M100-K188 WeakPolarHBondContact O-CA 3.33Å; M100-L189 HydrophobicContact CB-CB 4.4Å; M100-L189 WeakPolarHBondContact CB-O 3.3Å; M100-L189 PolarHBondContact O-N 2.88Å
101T96.5Very high91.8Very high23 Ų2370.7 Ų70.714%0.14136%0.355CS..BIsolated β-bridgetrans-77131.8175.9-50.80000109.6S96 T99 Y186S96-T101 PolarHBondContact OG-O 2.92Å; T99-T101 WeakPolarHBondContact CB-OG1 3.29Å; T99-T101 PolarHBondContact O-N 3.17Å; T99-T101 VanDerWaalsContact O-N 3.16Å; T99-T101 WeakPolarHBondContact OG1-CB 3.36Å; T99-T101 PolarHBondContact OG1-N 3.16Å; T99-T101 VanDerWaalsContact OG1-N 3.17Å; T99-T101 PolarHBondContact OG1-OG1 2.79Å; T101-Y186 HydrophobicContact CG2-CD2 4.16Å
102I97Very high92Very high1 Ų168.5 Ų68.51%0.00536%0.356CS..PPolyproline II helixtrans-82.9123.8177.9-54.6-178.2000108.9F104 S120 V136 V147 L187 L189 L194I102-F104 HydrophobicContact CB-CE2 4.45Å; I102-F104 HydrophobicContact CG2-CE2 4.03Å; I102-F104 HydrophobicContact CG2-CZ 4.03Å; I102-S120 WeakPolarHBondContact O-CB 3.43Å; I102-V136 HydrophobicContact CD1-CG1 4.2Å; I102-V136 HydrophobicContact CD1-CG2 3.91Å; I102-V147 HydrophobicContact CD1-CB 4.35Å; I102-V147 HydrophobicContact CD1-CG1 3.66Å; I102-V147 HydrophobicContact CD1-CG2 3.82Å; I102-L187 HydrophobicContact CB-CB 4.15Å; I102-L187 HydrophobicContact CD1-CB 4.22Å; I102-L187 HydrophobicContact CG1-CB 4.38Å; I102-L187 PolarHBondContact N-O 3.23Å; I102-L189 HydrophobicContact CD1-CB 4.45Å; I102-L189 HydrophobicContact CG1-CB 4.34Å; I102-L194 HydrophobicContact CD1-CD1 4.34Å; I102-L194 HydrophobicContact CG1-CD1 4.09Å; I102-L194 HydrophobicContact CG2-CD1 4.18Å
103Y96.4Very high92.5Very high78 Ų7872.4 Ų72.431%0.30638%0.384SS..PPolyproline II helixtrans-98.4144.3-173.8-174.2-94.9000112.8D105 P117 S120 W198Y103-D105 HydrophobicContact CE1-CB 3.93Å; Y103-P117 WeakPolarHBondContact CE2-O 3.37Å; Y103-P117 VanDerWaalsContact CZ-O 3.22Å; Y103-P117 PolarHBondContact OH-O 2.9Å; Y103-S120 WeakPolarHBondContact CA-OG 3.36Å; Y103-S120 WeakPolarHBondContact CD2-OG 3.47Å; Y103-W198 PolarHBondContact O-NE1 2.84Å
104F97.5Very high93.1Very high1 Ų171.7 Ų71.70%0.00437%0.372CS..  trans-124.5119.5176.3-60.9-92.1000109.8A84 R86 I102 S120 L187 F203A84-F104 HydrophobicContact CB-CB 3.64Å; A84-F104 HydrophobicContact CB-CG 4.09Å; R86-F104 HydrophobicContact CB-CD1 4.46Å; I102-F104 HydrophobicContact CB-CE2 4.45Å; I102-F104 HydrophobicContact CG2-CE2 4.03Å; I102-F104 HydrophobicContact CG2-CZ 4.03Å; F104-S120 PolarHBondContact N-OG 2.83Å; F104-L187 HydrophobicContact CE2-CD1 4.04Å; F104-L187 HydrophobicContact CZ-CD1 3.83Å; F104-F203 HydrophobicContact CD1-CB 4.39Å; F104-F203 HydrophobicContact CD2-CB 4.13Å; F104-F203 HydrophobicContact CD2-CD1 4.48Å; F104-F203 HydrophobicContact CE1-CB 3.87Å; F104-F203 HydrophobicContact CE2-CB 3.58Å; F104-F203 HydrophobicContact CE2-CD1 4.12Å; F104-F203 HydrophobicContact CE2-CG 4.24Å; F104-F203 HydrophobicContact CZ-CB 3.44Å; F104-F203 VanDerWaalsContact CZ-CB 3.44Å; F104-F203 HydrophobicContact CZ-CG 4.45Å
105D95.3Very high93.9Very high54 Ų5463.4 Ų63.429%0.28933%0.333SS..  trans-86.4-18.4-172.553.8-108.7000114.6V85 R86 N87 T88 Y103V85-D105 PolarHBondContact O-N 2.85Å; R86-D105 WeakPolarHBondContact CD-OD1 3.41Å; R86-D105 IonicContact CZ-OD1 2.7Å; R86-D105 IonicContact NE-OD1 3.54Å; R86-D105 IonicContact NH1-OD1 2.83Å; R86-D105 PolarHBondContact NH1-OD1 3.02Å; N87-D105 WeakPolarHBondContact CB-OD2 3.42Å; N87-D105 PolarHBondContact N-OD1 2.83Å; N87-D105 PolarHBondContact N-OD2 2.99Å; N87-D105 VanDerWaalsContact N-OD2 3.16Å; T88-D105 PolarHBondContact OG1-OD1 3.07Å; T88-D105 VanDerWaalsContact OG1-OD1 3.13Å; Y103-D105 HydrophobicContact CE1-CB 3.93Å
106Q97.8Very high94.7Very high75 Ų7559.2 Ų59.235%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-122.7124.2-177.1-178.1177.6-200110.9A84 V85 N87 L108A84-Q106 CarbonylContact C-O 3.6Å; A84-Q106 VanDerWaalsContact CA-O 3.32Å; A84-Q106 WeakPolarHBondContact CA-O 3.29Å; V85-Q106 HydrophobicContact CG2-CB 3.78Å; V85-Q106 HydrophobicContact CG2-CG 4.04Å; V85-Q106 PolarHBondContact N-O 3.17Å; V85-Q106 PolarHBondContact O-N 2.98Å; V85-Q106 VanDerWaalsContact O-N 3.07Å; N87-Q106 PolarHBondContact ND2-OE1 2.83Å; N87-Q106 VanDerWaalsContact ND2-OE1 3.14Å; Q106-L108 HydrophobicContact CG-CD2 4.16Å
107I98.3Very high95.3Very high57 Ų5761.3 Ų61.329%0.29233%0.327SS..EExtended strand (participates in β ladder)trans-97121.5176.1-53.7-53.4000109A84 V109 N110 F115 P117A84-I107 HydrophobicContact CB-CD1 3.69Å; I107-V109 WeakPolarHBondContact CG2-O 3.49Å; I107-N110 HydrophobicContact CG2-CB 3.79Å; I107-F115 HydrophobicContact CD1-CD1 3.64Å; I107-F115 HydrophobicContact CD1-CE1 3.5Å; I107-P117 HydrophobicContact CD1-CB 3.97Å; I107-P117 HydrophobicContact CG1-CB 3.9Å
108L98.2Very high95.8Very high97 Ų9761 Ų6151%0.50834%0.335SS..EExtended strand (participates in β ladder)trans-92.4-39.6175.9-56.4-176.4000111.3S83 V85 Q106S83-L108 PolarHBondContact O-N 2.84Å; V85-L108 HydrophobicContact CG1-CD1 3.58Å; V85-L108 HydrophobicContact CG1-CG 4.14Å; V85-L108 HydrophobicContact CG2-CD1 4.36Å; V85-L108 HydrophobicContact CG2-CD2 4.25Å; V85-L108 HydrophobicContact CG2-CG 4.24Å; Q106-L108 HydrophobicContact CG-CD2 4.16Å
109V98Very high96.1Very high61 Ų6158.4 Ų58.437%0.3733%0.326SS..EExtended strand (participates in β ladder)trans-138.7137.9-179.2-178.60000108.8A81 F82 S83 I107 V111A81-V109 HydrophobicContact CB-CG1 4.25Å; F82-V109 CarbonylContact C-O 3.58Å; F82-V109 WeakPolarHBondContact CA-O 3.48Å; S83-V109 PolarHBondContact N-O 2.88Å; S83-V109 PolarHBondContact O-N 2.83Å; S83-V109 VanDerWaalsContact O-N 3.12Å; I107-V109 WeakPolarHBondContact CG2-O 3.49Å; V109-V111 HydrophobicContact CG1-CG2 3.84Å
110N97.4Very high96.4Very high44 Ų4455.5 Ų55.524%0.23531%0.308CS..EExtended strand (participates in β ladder)trans-152.559.5171.9-160.82.3000111.3A81 I107 G112 S113 H114 F115A81-N110 CarbonylContact O-C 3.59Å; A81-N110 WeakPolarHBondContact O-CA 3.12Å; I107-N110 HydrophobicContact CG2-CB 3.79Å; N110-G112 PolarHBondContact O-N 3.33Å; N110-S113 PolarHBondContact O-N 3.33Å; N110-S113 WeakPolarHBondContact OD1-CA 3.32Å; N110-H114 PolarHBondContact OD1-N 3.03Å; N110-F115 PolarHBondContact ND2-O 2.92Å; N110-F115 PolarHBondContact OD1-N 2.84Å; N110-F115 VanDerWaalsContact OD1-N 3.16Å
111V95.9Very high96.6Very high65 Ų6553.3 Ų53.339%0.39430%0.297SS..EExtended strand (participates in β ladder)trans-65.3121.8177.9-175.50000109R79 A81 V109 S113R79-V111 HydrophobicContact CB-CG1 4Å; R79-V111 WeakPolarHBondContact O-CG1 3.34Å; A81-V111 HydrophobicContact CB-CB 4.36Å; A81-V111 HydrophobicContact CB-CG2 4.37Å; A81-V111 PolarHBondContact N-O 3.07Å; A81-V111 PolarHBondContact O-N 3.36Å; V109-V111 HydrophobicContact CG1-CG2 3.84Å; V111-S113 VanDerWaalsContact C-N 3.33Å
112G93.3Very high96.7Very high41 Ų4152.3 Ų52.342%0.42329%0.291SS..THydrogen-bonded Turntrans86.8-6.6-174.700000114.6N110 H114N110-G112 PolarHBondContact O-N 3.33Å; G112-H114 VanDerWaalsContact C-N 3.29Å; G112-H114 PolarHBondContact O-CD2 2.78Å; G112-H114 PolarHBondContact O-CE1 2.81Å; G112-H114 PolarHBondContact O-N 2.89Å; G112-H114 PolarHBondContact O-ND1 2.85Å; G112-H114 PolarHBondContact O-NE2 2.96Å
113S96.4Very high96.8Very high98 Ų9854.7 Ų54.769%0.68531%0.305SS*.SBendtrans56.140-179.8-56.60000113.6N110 V111N110-S113 PolarHBondContact O-N 3.33Å; N110-S113 WeakPolarHBondContact OD1-CA 3.32Å; V111-S113 VanDerWaalsContact C-N 3.33Å
114H97.4Very high96.9Very high58 Ų5851 Ų5127%0.26929%0.291SS..  trans-98.2-3.8-176.8-63.7-47.7000113.8N110 G112 F122 V123 P125N110-H114 PolarHBondContact OD1-N 3.03Å; G112-H114 VanDerWaalsContact C-N 3.29Å; G112-H114 PolarHBondContact O-CD2 2.78Å; G112-H114 PolarHBondContact O-CE1 2.81Å; G112-H114 PolarHBondContact O-N 2.89Å; G112-H114 PolarHBondContact O-ND1 2.85Å; G112-H114 PolarHBondContact O-NE2 2.96Å; H114-F122 HydrophobicContact CB-CD2 4.24Å; H114-F122 HydrophobicContact CB-CE2 3.74Å; H114-F122 HydrophobicContact CB-CZ 4.44Å; H114-F122 WeakPolarHBondContact O-CA 3.26Å; H114-V123 WeakPolarHBondContact CB-O 3.35Å; H114-V123 PolarHBondContact O-N 3.03Å; H114-P125 VanDerWaalsContact CD2-CG 3.5Å; H114-P125 WeakPolarHBondContact CD2-CG 3.33Å; H114-P125 VanDerWaalsContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact NE2-CB 3.35Å
115F98.5Very high96.9Very high4 Ų452.6 Ų52.62%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-98.1121.8167.4-172.5-97000110.1F82 A84 I107 N110 P117 F122 F203F82-F115 HydrophobicContact CB-CB 3.74Å; F82-F115 HydrophobicContact CB-CG 4.26Å; F82-F115 HydrophobicContact CD1-CD2 4.49Å; F82-F115 HydrophobicContact CD2-CB 4.12Å; F82-F115 AromaticContact CD2-CD2 3.33Å; F82-F115 HydrophobicContact CD2-CD2 3.33Å; F82-F115 AromaticContact CD2-CE2 3.77Å; F82-F115 HydrophobicContact CD2-CE2 3.77Å; F82-F115 AromaticContact CD2-CG 3.76Å; F82-F115 HydrophobicContact CD2-CG 3.76Å; F82-F115 AromaticContact CE2-CD2 3.53Å; F82-F115 HydrophobicContact CE2-CD2 3.53Å; F82-F115 AromaticContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CG 4.39Å; F82-F115 HydrophobicContact CG-CB 3.91Å; F82-F115 AromaticContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CG 4.08Å; F82-F115 HydrophobicContact CZ-CD2 4.2Å; F82-F115 HydrophobicContact CZ-CE2 4.43Å; A84-F115 HydrophobicContact CB-CE1 3.9Å; A84-F115 HydrophobicContact CB-CZ 4.02Å; I107-F115 HydrophobicContact CD1-CD1 3.64Å; I107-F115 HydrophobicContact CD1-CE1 3.5Å; N110-F115 PolarHBondContact ND2-O 2.92Å; N110-F115 PolarHBondContact OD1-N 2.84Å; N110-F115 VanDerWaalsContact OD1-N 3.16Å; F115-P117 VanDerWaalsContact O-CD 3.29Å; F115-P117 WeakPolarHBondContact O-CD 3.36Å; F115-F122 HydrophobicContact CD2-CB 4.09Å; F115-F203 AromaticContact CE2-CD1 3.9Å; F115-F203 HydrophobicContact CE2-CD1 3.9Å; F115-F203 AromaticContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CZ-CD1 4.4Å
116D97.6Very high96.9Very high40 Ų4053 Ų5321%0.21430%0.299CS..EExtended strand (participates in β ladder)trans-85.4106.2174.4178.8-7.7000109.5A118 R119 S120 I121D116-A118 VanDerWaalsContact C-N 3.27Å; D116-A118 PolarHBondContact O-N 3.38Å; D116-A118 WeakPolarHBondContact OD1-CB 3.35Å; D116-A118 PolarHBondContact OD1-N 3Å; D116-R119 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact OD1-N 2.84Å; D116-R119 VanDerWaalsContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CG 3.38Å; D116-R119 IonicContact OD2-CZ 3.65Å; D116-R119 IonicContact OD2-NE 3.84Å; D116-R119 IonicContact OD2-NH1 2.74Å; D116-R119 PolarHBondContact OD2-NH1 2.82Å; D116-S120 VanDerWaalsContact O-CA 3.29Å; D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 PolarHBondContact O-N 2.9Å; D116-I121 PolarHBondContact N-O 3.45Å; D116-I121 PolarHBondContact O-N 2.92Å
117P94.1Very high96.9Very high57 Ų5753.5 Ų53.537%0.3730%0.3SS..THydrogen-bonded Turntrans-69.7-22.1-17830-36000113Y103 I107 F115 R119Y103-P117 WeakPolarHBondContact CE2-O 3.37Å; Y103-P117 VanDerWaalsContact CZ-O 3.22Å; Y103-P117 PolarHBondContact OH-O 2.9Å; I107-P117 HydrophobicContact CD1-CB 3.97Å; I107-P117 HydrophobicContact CG1-CB 3.9Å; F115-P117 VanDerWaalsContact O-CD 3.29Å; F115-P117 WeakPolarHBondContact O-CD 3.36Å; P117-R119 VanDerWaalsContact C-N 3.32Å
118A93.3Very high96.8Very high73 Ų7350.8 Ų50.860%0.60329%0.286SS*.THydrogen-bonded Turntrans-75-28179.200000111.6D116D116-A118 VanDerWaalsContact C-N 3.27Å; D116-A118 PolarHBondContact O-N 3.38Å; D116-A118 WeakPolarHBondContact OD1-CB 3.35Å; D116-A118 PolarHBondContact OD1-N 3Å
119R94.3Very high96.7Very high164 Ų16447.1 Ų47.162%0.61927%0.268SS*.THydrogen-bonded Turntrans-108.9-13.1-180-59.3-175.9179.5104-3.7113.7D116 P117 I121D116-R119 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact OD1-N 2.84Å; D116-R119 VanDerWaalsContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CG 3.38Å; D116-R119 IonicContact OD2-CZ 3.65Å; D116-R119 IonicContact OD2-NE 3.84Å; D116-R119 IonicContact OD2-NH1 2.74Å; D116-R119 PolarHBondContact OD2-NH1 2.82Å; P117-R119 VanDerWaalsContact C-N 3.32Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CB 4.26Å; R119-I121 HydrophobicContact CB-CD1 3.73Å; R119-I121 HydrophobicContact CB-CG1 3.8Å; R119-I121 PolarHBondContact O-N 3.48Å
120S97.6Very high96.7Very high0 Ų044.2 Ų44.20%025%0.25CC..THydrogen-bonded Turntrans54.742.8-168.8-64.80000112.7I102 Y103 F104 D116I102-S120 WeakPolarHBondContact O-CB 3.43Å; Y103-S120 WeakPolarHBondContact CA-OG 3.36Å; Y103-S120 WeakPolarHBondContact CD2-OG 3.47Å; F104-S120 PolarHBondContact N-OG 2.83Å; D116-S120 VanDerWaalsContact O-CA 3.29Å; D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 PolarHBondContact O-N 2.9Å
121I98.4Very high96.7Very high29 Ų2943.2 Ų43.215%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-117.9128.1-178.6-62.1175.6000109.3D116 R119 V123 K184 Y186D116-I121 PolarHBondContact N-O 3.45Å; D116-I121 PolarHBondContact O-N 2.92Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CB 4.26Å; R119-I121 HydrophobicContact CB-CD1 3.73Å; R119-I121 HydrophobicContact CB-CG1 3.8Å; R119-I121 PolarHBondContact O-N 3.48Å; I121-V123 HydrophobicContact CG2-CG2 4.23Å; I121-K184 HydrophobicContact CG2-CB 3.88Å; I121-K184 HydrophobicContact CG2-CD 4.44Å; I121-K184 HydrophobicContact CG2-CG 4.18Å; I121-Y186 HydrophobicContact CG1-CD1 4.26Å; I121-Y186 HydrophobicContact CG1-CG 4.23Å
122F98.8Very high96.8Very high1 Ų140.1 Ų40.10%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-86.4135.4165.3177.6-99.9000110.2V80 F82 H114 F115 A124 F130 F132 M179 K184 A185V80-F122 HydrophobicContact CG1-CE2 3.76Å; V80-F122 HydrophobicContact CG1-CZ 3.7Å; F82-F122 HydrophobicContact CD1-CB 4.39Å; F82-F122 AromaticContact CD1-CD2 3.39Å; F82-F122 HydrophobicContact CD1-CD2 3.39Å; F82-F122 AromaticContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CG 4.05Å; F82-F122 HydrophobicContact CE1-CB 3.9Å; F82-F122 AromaticContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CE2 4.26Å; F82-F122 AromaticContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CG-CD2 4.25Å; F82-F122 HydrophobicContact CZ-CB 4.16Å; F82-F122 HydrophobicContact CZ-CG 4.49Å; H114-F122 HydrophobicContact CB-CD2 4.24Å; H114-F122 HydrophobicContact CB-CE2 3.74Å; H114-F122 HydrophobicContact CB-CZ 4.44Å; H114-F122 WeakPolarHBondContact O-CA 3.26Å; F115-F122 HydrophobicContact CD2-CB 4.09Å; F122-A124 HydrophobicContact CE1-CB 4.24Å; F122-F130 AromaticContact CE1-CD1 3.82Å; F122-F130 HydrophobicContact CE1-CD1 3.82Å; F122-F130 AromaticContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CZ 4.43Å; F122-F130 AromaticContact CZ-CD1 3.88Å; F122-F130 HydrophobicContact CZ-CD1 3.88Å; F122-F130 AromaticContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CZ 4.44Å; F122-F132 HydrophobicContact CB-CE1 4.32Å; F122-F132 AromaticContact CD1-CE1 3.88Å; F122-F132 HydrophobicContact CD1-CE1 3.88Å; F122-F132 AromaticContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CE1-CE1 4.49Å; F122-F132 HydrophobicContact CE1-CZ 4.04Å; F122-F132 HydrophobicContact CG-CE1 4.18Å; F122-F132 HydrophobicContact CG-CZ 4.42Å; F122-M179 HydrophobicContact CD1-CE 4.16Å; F122-M179 HydrophobicContact CD1-SD 4.39Å; F122-M179 HydrophobicContact CE1-CE 4.33Å; F122-M179 HydrophobicContact CE1-SD 4.23Å; F122-K184 CarbonylContact O-C 3.57Å; F122-K184 WeakPolarHBondContact O-CA 3.46Å; F122-A185 HydrophobicContact CB-CB 4.38Å; F122-A185 HydrophobicContact CD1-CB 4.34Å; F122-A185 PolarHBondContact N-O 3.17Å; F122-A185 PolarHBondContact O-N 2.88Å
123V98.6Very high97Very high51 Ų5139.9 Ų39.931%0.30922%0.219SC..EExtended strand (participates in β ladder)trans-117.6118.4175.6-174.30000109.4H114 I121 P125 D183 K184H114-V123 WeakPolarHBondContact CB-O 3.35Å; H114-V123 PolarHBondContact O-N 3.03Å; I121-V123 HydrophobicContact CG2-CG2 4.23Å; V123-P125 WeakPolarHBondContact O-CD 3.34Å; V123-D183 CarbonylContact C-O 3.57Å; V123-D183 WeakPolarHBondContact CA-O 3.35Å; V123-K184 HydrophobicContact CG2-CG 4.35Å
124A98.1Very high97.1Very high1 Ų135.2 Ų35.21%0.00819%0.187CC..  trans-63.4121.3-179.700000110.7F122 R126 F130 M179 E180 R181 G182 D183F122-A124 HydrophobicContact CE1-CB 4.24Å; A124-R126 VanDerWaalsContact C-N 3.25Å; A124-R126 PolarHBondContact O-N 2.73Å; A124-F130 HydrophobicContact CB-CE2 4.01Å; A124-F130 HydrophobicContact CB-CZ 3.97Å; A124-M179 HydrophobicContact CB-CB 3.78Å; A124-M179 HydrophobicContact CB-CE 3.71Å; A124-M179 HydrophobicContact CB-SD 4.19Å; A124-E180 VanDerWaalsContact CB-O 3.31Å; A124-E180 WeakPolarHBondContact CB-O 3.17Å; A124-R181 WeakPolarHBondContact O-CA 3.45Å; A124-G182 PolarHBondContact O-N 2.92Å; A124-D183 HydrophobicContact CB-CB 4.4Å; A124-D183 PolarHBondContact N-O 2.66Å
125P96.9Very high97.1Very high34 Ų3435.9 Ų35.922%0.22119%0.19CC..SBendtrans-76.1-16.7-179.128.8-34.7000113.5V80 H114 V123 R181V80-P125 HydrophobicContact CG1-CG 4.28Å; V80-P125 HydrophobicContact CG2-CG 3.71Å; H114-P125 VanDerWaalsContact CD2-CG 3.5Å; H114-P125 WeakPolarHBondContact CD2-CG 3.33Å; H114-P125 VanDerWaalsContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact NE2-CB 3.35Å; V123-P125 WeakPolarHBondContact O-CD 3.34Å; P125-R181 WeakPolarHBondContact O-CD 3.21Å; P125-R181 WeakPolarHBondContact O-CG 3.22Å
126R96.1Very high97.1Very high64 Ų6435.7 Ų35.724%0.24219%0.189CC..SBendtrans-161164.8-173.863.5179.8-60.1140.912.3110.7M71 A124 L207M71-R126 PolarHBondContact SD-NH1 2.83Å; M71-R126 PolarHBondContact SD-NH2 3.14Å; A124-R126 VanDerWaalsContact C-N 3.25Å; A124-R126 PolarHBondContact O-N 2.73Å; R126-L207 HydrophobicContact CG-CD2 4.47Å
127K97.4Very high96.9Very high84 Ų8435.1 Ų35.137%0.36519%0.187SC..SBendtrans-63.8135.4170.5-166.8-172.7177.3119.40111.2M179 E180 L211K127-M179 VanDerWaalsContact CA-O 3.26Å; K127-M179 WeakPolarHBondContact CA-O 3.42Å; K127-E180 VanDerWaalsContact CE-OE1 3.31Å; K127-E180 WeakPolarHBondContact CE-OE1 3.43Å; K127-E180 WeakPolarHBondContact CG-OE2 3.32Å; K127-E180 IonicContact NZ-OE1 3.51Å; K127-E180 PolarHBondContact NZ-OE1 2.89Å; K127-E180 IonicContact NZ-OE2 2.84Å; K127-L211 HydrophobicContact CD-CB 4.01Å; K127-L211 HydrophobicContact CG-CB 4.01Å; K127-L211 PolarHBondContact O-N 3.48Å
128G96.2Very high96.6Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans172.2-178.8177.500000113.9T178 M179 F209G128-T178 WeakPolarHBondContact O-CA 3.24Å; G128-M179 PolarHBondContact N-O 2.89Å; G128-M179 VanDerWaalsContact N-O 3.09Å; G128-M179 PolarHBondContact O-N 3.44Å; G128-F209 WeakPolarHBondContact CA-O 3.28Å
129V96.4Very high95.8Very high20 Ų2029.9 Ų29.912%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-98.6123.4172.8178.70000109.2L176 V177 V208 F209 L211V129-L176 HydrophobicContact CG1-CB 4.24Å; V129-L176 HydrophobicContact CG1-CD2 4.27Å; V129-V177 WeakPolarHBondContact CA-O 3.39Å; V129-V208 WeakPolarHBondContact O-CB 3.44Å; V129-V208 PolarHBondContact O-N 3.2Å; V129-F209 HydrophobicContact CB-CD2 4.33Å; V129-F209 HydrophobicContact CB-CE1 4.37Å; V129-F209 HydrophobicContact CB-CE2 3.84Å; V129-F209 HydrophobicContact CB-CZ 3.84Å; V129-F209 HydrophobicContact CG1-CZ 4.35Å; V129-F209 HydrophobicContact CG2-CD2 4.22Å; V129-F209 HydrophobicContact CG2-CE2 3.4Å; V129-F209 VanDerWaalsContact CG2-CE2 3.4Å; V129-F209 HydrophobicContact CG2-CZ 3.62Å; V129-F209 PolarHBondContact N-O 3.13Å; V129-L211 HydrophobicContact CG2-CD1 4.15Å
130F97.6Very high94.7Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-112.5140.6-178.5-68.4-94.9000110.8V80 F122 A124 F132 L176 V177 M179 F206 L207V80-F130 HydrophobicContact CG1-CE1 4.18Å; F122-F130 AromaticContact CE1-CD1 3.82Å; F122-F130 HydrophobicContact CE1-CD1 3.82Å; F122-F130 AromaticContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CZ 4.43Å; F122-F130 AromaticContact CZ-CD1 3.88Å; F122-F130 HydrophobicContact CZ-CD1 3.88Å; F122-F130 AromaticContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CZ 4.44Å; A124-F130 HydrophobicContact CB-CE2 4.01Å; A124-F130 HydrophobicContact CB-CZ 3.97Å; F130-F132 HydrophobicContact CB-CD2 4.31Å; F130-F132 HydrophobicContact CB-CE2 3.59Å; F130-F132 HydrophobicContact CB-CZ 4.07Å; F130-L176 CarbonylContact O-C 3.52Å; F130-L176 VanDerWaalsContact O-CA 3.31Å; F130-L176 WeakPolarHBondContact O-CA 3.25Å; F130-V177 HydrophobicContact CB-CG2 4.42Å; F130-V177 PolarHBondContact N-O 2.92Å; F130-V177 PolarHBondContact O-N 3.34Å; F130-M179 HydrophobicContact CB-SD 4.16Å; F130-M179 HydrophobicContact CD2-CB 3.74Å; F130-M179 HydrophobicContact CD2-CG 3.9Å; F130-M179 HydrophobicContact CD2-SD 3.87Å; F130-M179 HydrophobicContact CE2-CB 3.86Å; F130-M179 HydrophobicContact CE2-CG 4.48Å; F130-M179 HydrophobicContact CE2-SD 4.46Å; F130-M179 HydrophobicContact CG-SD 4Å; F130-F206 WeakPolarHBondContact CA-O 3.19Å; F130-L207 HydrophobicContact CD1-CB 4.08Å; F130-L207 HydrophobicContact CD1-CD1 4.31Å; F130-L207 HydrophobicContact CD2-CD1 4.32Å; F130-L207 HydrophobicContact CE1-CB 3.73Å; F130-L207 HydrophobicContact CE1-CD1 3.88Å; F130-L207 HydrophobicContact CE1-CG 4.38Å; F130-L207 HydrophobicContact CE2-CD1 3.9Å; F130-L207 HydrophobicContact CZ-CB 4.35Å; F130-L207 HydrophobicContact CZ-CD1 3.68Å
131S97.5Very high93.2Very high23 Ų2329.1 Ų29.116%0.16114%0.144CC..EExtended strand (participates in β ladder)trans-98.2134.2169.4-173.50000109.7G205 F206S131-G205 CarbonylContact O-C 3.59Å; S131-G205 WeakPolarHBondContact O-CA 2.96Å; S131-F206 PolarHBondContact N-O 3.46Å; S131-F206 PolarHBondContact O-N 3.32Å
132F98.5Very high92.1Very high1 Ų138 Ų380%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-126.4139.7171.7-65.8-82.5000110.1F82 F122 F130 L149 A174 G175 V177 M179 A185 F203 S204F82-F132 HydrophobicContact CE1-CD1 4.01Å; F82-F132 AromaticContact CE1-CE1 3.64Å; F82-F132 HydrophobicContact CE1-CE1 3.64Å; F82-F132 AromaticContact CZ-CD1 3.92Å; F82-F132 HydrophobicContact CZ-CD1 3.92Å; F82-F132 AromaticContact CZ-CE1 3.87Å; F82-F132 HydrophobicContact CZ-CE1 3.87Å; F122-F132 HydrophobicContact CB-CE1 4.32Å; F122-F132 AromaticContact CD1-CE1 3.88Å; F122-F132 HydrophobicContact CD1-CE1 3.88Å; F122-F132 AromaticContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CE1-CE1 4.49Å; F122-F132 HydrophobicContact CE1-CZ 4.04Å; F122-F132 HydrophobicContact CG-CE1 4.18Å; F122-F132 HydrophobicContact CG-CZ 4.42Å; F130-F132 HydrophobicContact CB-CD2 4.31Å; F130-F132 HydrophobicContact CB-CE2 3.59Å; F130-F132 HydrophobicContact CB-CZ 4.07Å; F132-L149 HydrophobicContact CB-CD1 4.37Å; F132-L149 HydrophobicContact CB-CD2 3.74Å; F132-L149 HydrophobicContact CD1-CD1 4.49Å; F132-L149 HydrophobicContact CD2-CD2 4.01Å; F132-L149 HydrophobicContact CG-CD1 4.29Å; F132-L149 HydrophobicContact CG-CD2 4.02Å; F132-A174 CarbonylContact O-C 3.54Å; F132-A174 WeakPolarHBondContact O-CA 3.22Å; F132-A174 WeakPolarHBondContact O-CB 3.13Å; F132-G175 PolarHBondContact N-O 3.29Å; F132-G175 PolarHBondContact O-N 2.81Å; F132-V177 HydrophobicContact CD2-CG2 3.7Å; F132-V177 HydrophobicContact CE2-CG2 3.49Å; F132-V177 VanDerWaalsContact CE2-CG2 3.49Å; F132-M179 HydrophobicContact CE2-SD 3.63Å; F132-M179 HydrophobicContact CZ-SD 3.63Å; F132-A185 HydrophobicContact CE1-CB 3.8Å; F132-A185 HydrophobicContact CE2-CB 4.14Å; F132-A185 HydrophobicContact CZ-CB 3.53Å; F132-F203 HydrophobicContact CB-CE2 4.41Å; F132-F203 AromaticContact CD1-CE2 3.78Å; F132-F203 HydrophobicContact CD1-CE2 3.78Å; F132-F203 AromaticContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CE1-CZ 4.33Å; F132-F203 HydrophobicContact CG-CE2 4.49Å; F132-S204 WeakPolarHBondContact CA-O 3.32Å
133C98Very high91.3Very high36 Ų3642.2 Ų42.224%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-134.8138.9172.4-174.10000108.7A174 S204C133-A174 HydrophobicContact CB-CB 4.03Å; C133-S204 PolarHBondContact N-O 3.43Å; C133-S204 PolarHBondContact O-N 3.5Å
134F98.6Very high90.9Very high0 Ų042.6 Ų42.60%020%0.198CC..EExtended strand (participates in β ladder)trans-142148.5174.366.7-91.3000112V136 V147 L149 I157 A159 T172 N173 L187 T202 F203F134-V136 HydrophobicContact CD2-CG2 4.29Å; F134-V147 HydrophobicContact CD2-CG1 4.04Å; F134-V147 HydrophobicContact CE2-CB 4.08Å; F134-V147 HydrophobicContact CE2-CG1 3.67Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; F134-L149 HydrophobicContact CE1-CB 4.14Å; F134-I157 HydrophobicContact CE1-CD1 4.13Å; F134-I157 HydrophobicContact CE1-CG1 4.27Å; F134-A159 HydrophobicContact CE2-CB 3.74Å; F134-A159 HydrophobicContact CZ-CB 3.9Å; F134-T172 WeakPolarHBondContact O-CA 3.34Å; F134-N173 WeakPolarHBondContact CD1-O 3.19Å; F134-N173 HydrophobicContact CE1-CB 3.8Å; F134-N173 HydrophobicContact CE2-CB 4.35Å; F134-N173 HydrophobicContact CZ-CB 3.61Å; F134-N173 PolarHBondContact N-O 3.42Å; F134-N173 PolarHBondContact O-N 2.66Å; F134-L187 HydrophobicContact CB-CD1 3.51Å; F134-L187 HydrophobicContact CB-CD2 4.05Å; F134-L187 HydrophobicContact CB-CG 4.41Å; F134-L187 HydrophobicContact CD1-CD2 3.7Å; F134-L187 HydrophobicContact CD2-CD1 4.21Å; F134-L187 HydrophobicContact CD2-CD2 4.4Å; F134-L187 HydrophobicContact CE1-CD2 4.21Å; F134-L187 HydrophobicContact CG-CD1 3.9Å; F134-L187 HydrophobicContact CG-CD2 3.8Å; F134-T202 WeakPolarHBondContact CA-O 3.37Å; F134-F203 HydrophobicContact CB-CD2 4.05Å
135H97.8Very high90.6Very high72 Ų7242.6 Ų42.633%0.33320%0.198SC..EExtended strand (participates in β ladder)trans-132.8111.7170.4-58.1-95.3000107.2T172 S201 T202H135-T172 WeakPolarHBondContact CE1-CG2 3.37Å; H135-T172 WeakPolarHBondContact ND1-CG2 2.92Å; H135-T172 PolarHBondContact ND1-OG1 3.46Å; H135-S201 CarbonylContact O-C 3.54Å; H135-S201 WeakPolarHBondContact O-CA 3.44Å; H135-S201 WeakPolarHBondContact O-CB 3.3Å; H135-T202 PolarHBondContact CD2-OG1 2.82Å; H135-T202 VanDerWaalsContact CD2-OG1 3.29Å; H135-T202 PolarHBondContact N-O 2.71Å; H135-T202 PolarHBondContact O-N 2.78Å
136V97.1Very high90.6Very high0 Ų043.2 Ų43.20%020%0.197CC..EExtended strand (participates in β ladder)trans-104.1106.6175177.70000109I102 F134 I145 V147 A170 A171 L187 L194 S201I102-V136 HydrophobicContact CD1-CG1 4.2Å; I102-V136 HydrophobicContact CD1-CG2 3.91Å; F134-V136 HydrophobicContact CD2-CG2 4.29Å; V136-I145 HydrophobicContact CG1-CD1 4.37Å; V136-V147 HydrophobicContact CB-CG2 4Å; V136-V147 HydrophobicContact CG1-CG2 4.1Å; V136-V147 HydrophobicContact CG2-CG1 3.89Å; V136-V147 HydrophobicContact CG2-CG2 4.15Å; V136-A170 CarbonylContact O-C 3.45Å; V136-A170 VanDerWaalsContact O-CA 3.3Å; V136-A170 WeakPolarHBondContact O-CA 3.48Å; V136-A171 HydrophobicContact CB-CB 4.46Å; V136-A171 PolarHBondContact N-O 3.16Å; V136-A171 PolarHBondContact O-N 2.83Å; V136-L187 HydrophobicContact CG2-CD1 4.13Å; V136-L194 HydrophobicContact CG1-CD2 4.13Å; V136-S201 WeakPolarHBondContact CA-OG 3.19Å
137V94.1Very high90.7Very high28 Ų2840.1 Ų40.117%0.1719%0.186CC..EExtended strand (participates in β ladder)trans-92.3133.2-176.2-177.80000109.6V139 E169 A170 W198 S201V137-V139 HydrophobicContact CG1-CG2 4.27Å; V137-E169 WeakPolarHBondContact CA-O 3.41Å; V137-A170 HydrophobicContact CG2-CB 4.15Å; V137-W198 CarbonylContact O-C 3.57Å; V137-W198 WeakPolarHBondContact O-CA 3.35Å; V137-W198 VanDerWaalsContact O-CB 3.31Å; V137-W198 WeakPolarHBondContact O-CB 3.41Å; V137-S201 PolarHBondContact N-OG 2.84Å; V137-S201 PolarHBondContact O-OG 3.12Å
138K88.1Confident90.8Very high4 Ų436.1 Ų36.12%0.01717%0.169CC..EExtended strand (participates in β ladder)trans-127.2121.2173.2-171.4173.1171.3-164.90109.8Y140 N141 I145 E169 N193K138-Y140 WeakPolarHBondContact CE-O 3.39Å; K138-N141 HydrophobicContact CD-CB 4.33Å; K138-N141 WeakPolarHBondContact CD-OD1 3.48Å; K138-N141 WeakPolarHBondContact CE-OD1 3.31Å; K138-N141 HydrophobicContact CG-CB 4.47Å; K138-N141 PolarHBondContact NZ-OD1 3.1Å; K138-I145 HydrophobicContact CD-CG2 4.15Å; K138-E169 PolarHBondContact N-O 2.8Å; K138-E169 PolarHBondContact O-N 2.88Å; K138-N193 WeakPolarHBondContact CE-O 3.45Å; K138-N193 PolarHBondContact NZ-O 3.3Å
139V76Confident90.9Very high16 Ų1636.3 Ų36.310%0.09717%0.169CC..SBendtrans-88.8-10.2-170.61750000113.3V137 R168V137-V139 HydrophobicContact CG1-CG2 4.27Å; V139-R168 HydrophobicContact CB-CG 4.44Å; V139-R168 HydrophobicContact CG1-CG 4.13Å; V139-R168 HydrophobicContact CG2-CG 4.42Å
140Y71.3Confident91Very high148 Ų14835.4 Ų35.458%0.5816%0.164SC*.SBendtrans-139.577.7175.4-67.1-77000109.5K138 V166K138-Y140 WeakPolarHBondContact CE-O 3.39Å; Y140-V166 HydrophobicContact CD1-CG1 3.94Å
141N66.7Low91Very high0 Ų036.9 Ų36.90%017%0.172CC..  trans-90.3118-179.8-14813.1000111.2K138 Q143 A161 G162 E169K138-N141 HydrophobicContact CD-CB 4.33Å; K138-N141 WeakPolarHBondContact CD-OD1 3.48Å; K138-N141 WeakPolarHBondContact CE-OD1 3.31Å; K138-N141 HydrophobicContact CG-CB 4.47Å; K138-N141 PolarHBondContact NZ-OD1 3.1Å; N141-Q143 PolarHBondContact OD1-N 2.92Å; N141-Q143 PolarHBondContact OD1-O 2.85Å; N141-A161 PolarHBondContact ND2-O 3.17Å; N141-G162 WeakPolarHBondContact ND2-CA 3.3Å; N141-E169 PolarHBondContact ND2-OE2 2.81Å
142R74.1Confident91Very high216 Ų21639.4 Ų39.482%0.81518%0.184SC*.SBendtrans-115.81.8167-71.1-172.4174.2179.6-1.2112V166R142-V166 HydrophobicContact CG-CG2 4.43Å
143Q82.3Confident90.9Very high89 Ų8941.3 Ų41.342%0.41620%0.203SC..SBendtrans-151.6128.2-173.8-177.6-178.35.500110N141 I145 N193N141-Q143 PolarHBondContact OD1-N 2.92Å; N141-Q143 PolarHBondContact OD1-O 2.85Å; Q143-I145 PolarHBondContact O-N 2.92Å; Q143-N193 PolarHBondContact OE1-ND2 2.98Å
144T89.3Confident90.9Very high59 Ų5946 Ų4636%0.36222%0.222SC..  trans-52.2126.5174.5-46.50000112A161T144-A161 CarbonylContact C-O 3.58Å; T144-A161 WeakPolarHBondContact CA-O 3.34Å
145I93.7Very high90.9Very high0 Ų049.6 Ų49.60%024%0.244CC..EExtended strand (participates in β ladder)trans-100.1147171.362.6169000110.4V136 K138 Q143 V147 F160 A161 A171 L189 R191 L194V136-I145 HydrophobicContact CG1-CD1 4.37Å; K138-I145 HydrophobicContact CD-CG2 4.15Å; Q143-I145 PolarHBondContact O-N 2.92Å; I145-V147 HydrophobicContact CD1-CG2 4.23Å; I145-F160 VanDerWaalsContact O-CA 3.32Å; I145-F160 WeakPolarHBondContact O-CA 3.21Å; I145-A161 HydrophobicContact CD1-CB 4.15Å; I145-A161 HydrophobicContact CG1-CB 3.81Å; I145-A161 WeakPolarHBondContact CG1-O 3.31Å; I145-A161 PolarHBondContact N-O 2.96Å; I145-A161 PolarHBondContact O-N 2.82Å; I145-A161 VanDerWaalsContact O-N 3.14Å; I145-A171 HydrophobicContact CD1-CB 4.25Å; I145-L189 HydrophobicContact CB-CD1 3.97Å; I145-L189 HydrophobicContact CG2-CD1 4.23Å; I145-R191 VanDerWaalsContact CA-O 3.29Å; I145-R191 WeakPolarHBondContact CA-O 3.18Å; I145-L194 HydrophobicContact CD1-CD2 4.3Å
146Q96.6Very high90.8Very high47 Ų4749.3 Ų49.322%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-120.8121.1167.8179.9-178.3-14.900108.4A159 F160 L189 E190 R191Q146-A159 WeakPolarHBondContact CA-O 3.46Å; Q146-F160 HydrophobicContact CB-CD1 3.79Å; Q146-F160 HydrophobicContact CB-CE1 3.63Å; Q146-F160 HydrophobicContact CB-CZ 4.49Å; Q146-F160 VanDerWaalsContact CD-CE1 3.47Å; Q146-F160 HydrophobicContact CG-CD1 3.93Å; Q146-F160 HydrophobicContact CG-CE1 3.41Å; Q146-F160 VanDerWaalsContact CG-CE1 3.41Å; Q146-F160 HydrophobicContact CG-CZ 3.8Å; Q146-L189 CarbonylContact O-C 3.55Å; Q146-E190 HydrophobicContact CB-CB 4.37Å; Q146-E190 HydrophobicContact CG-CB 4.11Å; Q146-E190 PolarHBondContact O-N 3.47Å; Q146-R191 HydrophobicContact CB-CB 3.69Å; Q146-R191 PolarHBondContact N-O 3.04Å; Q146-R191 PolarHBondContact O-N 3.21Å
147V98.3Very high90.9Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-112.6128.6177178.80000108.7I102 F134 V136 I145 S158 A159 A171 L187 K188 L189I102-V147 HydrophobicContact CD1-CB 4.35Å; I102-V147 HydrophobicContact CD1-CG1 3.66Å; I102-V147 HydrophobicContact CD1-CG2 3.82Å; F134-V147 HydrophobicContact CD2-CG1 4.04Å; F134-V147 HydrophobicContact CE2-CB 4.08Å; F134-V147 HydrophobicContact CE2-CG1 3.67Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; V136-V147 HydrophobicContact CB-CG2 4Å; V136-V147 HydrophobicContact CG1-CG2 4.1Å; V136-V147 HydrophobicContact CG2-CG1 3.89Å; V136-V147 HydrophobicContact CG2-CG2 4.15Å; I145-V147 HydrophobicContact CD1-CG2 4.23Å; V147-S158 CarbonylContact O-C 3.42Å; V147-S158 VanDerWaalsContact O-CA 3.27Å; V147-S158 WeakPolarHBondContact O-CA 3.41Å; V147-A159 PolarHBondContact N-O 2.97Å; V147-A159 PolarHBondContact O-N 2.97Å; V147-A171 HydrophobicContact CB-CB 4.19Å; V147-A171 HydrophobicContact CG2-CB 3.94Å; V147-L187 HydrophobicContact CG1-CB 4.36Å; V147-K188 WeakPolarHBondContact CA-O 3.27Å; V147-L189 HydrophobicContact CG2-CD1 4.19Å
148S98.6Very high91.1Very high0 Ų051.6 Ų51.60%026%0.262CS..EExtended strand (participates in β ladder)trans-119.1136.6177.7-60.30000110.9V150 I157 S158 L187 K188 E190S148-V150 PolarHBondContact O-N 3.02Å; S148-I157 CarbonylContact C-O 3.55Å; S148-I157 VanDerWaalsContact CA-O 3.3Å; S148-I157 WeakPolarHBondContact CA-O 3.39Å; S148-S158 PolarHBondContact OG-OG 3.2Å; S148-L187 WeakPolarHBondContact O-CA 3.43Å; S148-K188 PolarHBondContact N-O 3.23Å; S148-K188 PolarHBondContact O-N 3.14Å; S148-E190 WeakPolarHBondContact OG-CG 3.36Å
149L98.8Very high91.5Very high3 Ų351.7 Ų51.72%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-73.1120.4158.8177.366.9000107.4F132 F134 V156 I157 A185 L187 F203F132-L149 HydrophobicContact CB-CD1 4.37Å; F132-L149 HydrophobicContact CB-CD2 3.74Å; F132-L149 HydrophobicContact CD1-CD1 4.49Å; F132-L149 HydrophobicContact CD2-CD2 4.01Å; F132-L149 HydrophobicContact CG-CD1 4.29Å; F132-L149 HydrophobicContact CG-CD2 4.02Å; F134-L149 HydrophobicContact CE1-CB 4.14Å; L149-V156 PolarHBondContact O-N 2.96Å; L149-I157 HydrophobicContact CB-CD1 4.39Å; L149-I157 HydrophobicContact CB-CG1 3.68Å; L149-I157 HydrophobicContact CD2-CD1 4.12Å; L149-I157 HydrophobicContact CD2-CG1 4Å; L149-I157 HydrophobicContact CG-CG1 4.48Å; L149-I157 PolarHBondContact N-O 3.05Å; L149-A185 HydrophobicContact CD1-CB 4.45Å; L149-L187 HydrophobicContact CB-CD2 4.19Å; L149-L187 HydrophobicContact CD1-CD2 3.97Å; L149-F203 HydrophobicContact CD1-CE2 4.05Å; L149-F203 HydrophobicContact CD1-CZ 4.01Å
150V98.5Very high92.4Very high1 Ų156.9 Ų56.91%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-109.6128.8-177.1178.50000109.3S148 G153 H154 A185 Y186 K188S148-V150 PolarHBondContact O-N 3.02Å; V150-G153 VanDerWaalsContact CG1-CA 3.4Å; V150-H154 CarbonylContact C-O 3.58Å; V150-H154 WeakPolarHBondContact CA-O 3.32Å; V150-A185 VanDerWaalsContact O-CA 3.31Å; V150-A185 WeakPolarHBondContact O-CA 3.29Å; V150-Y186 HydrophobicContact CB-CD2 4.25Å; V150-Y186 HydrophobicContact CB-CE1 4.25Å; V150-Y186 HydrophobicContact CB-CE2 3.91Å; V150-Y186 HydrophobicContact CG1-CE1 3.9Å; V150-Y186 HydrophobicContact CG1-CE2 3.97Å; V150-Y186 WeakPolarHBondContact CG1-OH 3.41Å; V150-Y186 HydrophobicContact CG2-CE2 4.37Å; V150-Y186 PolarHBondContact N-O 3.21Å; V150-Y186 PolarHBondContact O-N 2.79Å; V150-Y186 VanDerWaalsContact O-N 3.07Å; V150-K188 HydrophobicContact CG2-CB 3.59Å; V150-K188 HydrophobicContact CG2-CD 4.35Å
151L98.4Very high93.4Very high32 Ų3250.1 Ų50.117%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-111.4118.2172.2-17864.5000108.7G153 H154 V156 M179 D183 K184L151-G153 PolarHBondContact O-N 3.04Å; L151-G153 VanDerWaalsContact O-N 3.08Å; L151-H154 PolarHBondContact N-O 3.04Å; L151-H154 PolarHBondContact O-N 2.98Å; L151-V156 HydrophobicContact CB-CG2 3.55Å; L151-M179 HydrophobicContact CD1-CE 3.57Å; L151-M179 HydrophobicContact CD1-CG 3.94Å; L151-M179 HydrophobicContact CD1-SD 4.21Å; L151-D183 HydrophobicContact CD1-CB 4.06Å; L151-K184 WeakPolarHBondContact CA-O 3.18Å
152N97.3Very high94.3Very high76 Ų7651.7 Ų51.741%0.40628%0.276SS..THydrogen-bonded Turntrans50.834.9179.1-64.4-25.3000114.4D183 K184N152-D183 PolarHBondContact ND2-OD1 3.24Å; N152-D183 WeakPolarHBondContact OD1-CA 3.36Å; N152-K184 PolarHBondContact N-O 3.21Å; N152-K184 PolarHBondContact OD1-N 2.77Å
153G96.3Very high94.1Very high41 Ų4145 Ų4542%0.42326%0.256SS..THydrogen-bonded Turntrans89.4-7.6-178.300000115.2V150 L151V150-G153 VanDerWaalsContact CG1-CA 3.4Å; L151-G153 PolarHBondContact O-N 3.04Å; L151-G153 VanDerWaalsContact O-N 3.08Å
154H97.4Very high93.2Very high135 Ų13549.5 Ų49.563%0.62528%0.277SS*.EExtended strand (participates in β ladder)trans-103.1129.2177.9-62.3-73.8000112.1V150 L151V150-H154 CarbonylContact C-O 3.58Å; V150-H154 WeakPolarHBondContact CA-O 3.32Å; L151-H154 PolarHBondContact N-O 3.04Å; L151-H154 PolarHBondContact O-N 2.98Å
155P97.7Very high92.2Very high74 Ų7452 Ų5248%0.48129%0.288SS..EExtended strand (participates in β ladder)trans-69133.4176.528.6-33.4000110.8
156V97.4Very high90.8Very high66 Ų6656 Ų5640%0.431%0.312SS..EExtended strand (participates in β ladder)trans-105.9-52.7-178.8-174.30000111.6L149 L151 V177L149-V156 PolarHBondContact O-N 2.96Å; L151-V156 HydrophobicContact CB-CG2 3.55Å; V156-V177 HydrophobicContact CG1-CG1 3.76Å
157I98Very high89.6Confident37 Ų3756.1 Ų56.119%0.1932%0.317CS..EExtended strand (participates in β ladder)trans-132.8145.9175.457.1172.7000109.1F134 S148 L149 N173F134-I157 HydrophobicContact CE1-CD1 4.13Å; F134-I157 HydrophobicContact CE1-CG1 4.27Å; S148-I157 CarbonylContact C-O 3.55Å; S148-I157 VanDerWaalsContact CA-O 3.3Å; S148-I157 WeakPolarHBondContact CA-O 3.39Å; L149-I157 HydrophobicContact CB-CD1 4.39Å; L149-I157 HydrophobicContact CB-CG1 3.68Å; L149-I157 HydrophobicContact CD2-CD1 4.12Å; L149-I157 HydrophobicContact CD2-CG1 4Å; L149-I157 HydrophobicContact CG-CG1 4.48Å; L149-I157 PolarHBondContact N-O 3.05Å; I157-N173 HydrophobicContact CD1-CB 4.24Å
158S98.3Very high88.8Confident39 Ų3965.4 Ų65.427%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-127.1152.3-179-58.40000111.4V147 S148 N173V147-S158 CarbonylContact O-C 3.42Å; V147-S158 VanDerWaalsContact O-CA 3.27Å; V147-S158 WeakPolarHBondContact O-CA 3.41Å; S148-S158 PolarHBondContact OG-OG 3.2Å; S158-N173 PolarHBondContact O-ND2 3.2Å
159A97.7Very high88.4Confident7 Ų767.3 Ų67.36%0.05836%0.361CS..EExtended strand (participates in β ladder)trans-131.7152.8172.500000109.4F134 Q146 V147 A171 N173F134-A159 HydrophobicContact CE2-CB 3.74Å; F134-A159 HydrophobicContact CZ-CB 3.9Å; Q146-A159 WeakPolarHBondContact CA-O 3.46Å; V147-A159 PolarHBondContact N-O 2.97Å; V147-A159 PolarHBondContact O-N 2.97Å; A159-A171 HydrophobicContact CB-CB 3.85Å; A159-N173 HydrophobicContact CB-CB 4.04Å
160F94.9Very high88.1Confident124 Ų12469.4 Ų69.454%0.54438%0.379SS..EExtended strand (participates in β ladder)trans-123.4148.1177.7-59.5-92.9000109.6I145 Q146I145-F160 VanDerWaalsContact O-CA 3.32Å; I145-F160 WeakPolarHBondContact O-CA 3.21Å; Q146-F160 HydrophobicContact CB-CD1 3.79Å; Q146-F160 HydrophobicContact CB-CE1 3.63Å; Q146-F160 HydrophobicContact CB-CZ 4.49Å; Q146-F160 VanDerWaalsContact CD-CE1 3.47Å; Q146-F160 HydrophobicContact CG-CD1 3.93Å; Q146-F160 HydrophobicContact CG-CE1 3.41Å; Q146-F160 VanDerWaalsContact CG-CE1 3.41Å; Q146-F160 HydrophobicContact CG-CZ 3.8Å
161A91.8Very high88Confident6 Ų669.4 Ų69.45%0.0538%0.378CS..EExtended strand (participates in β ladder)trans-143.2127.2167.800000107.7N141 T144 I145 E169 A171N141-A161 PolarHBondContact ND2-O 3.17Å; T144-A161 CarbonylContact C-O 3.58Å; T144-A161 WeakPolarHBondContact CA-O 3.34Å; I145-A161 HydrophobicContact CD1-CB 4.15Å; I145-A161 HydrophobicContact CG1-CB 3.81Å; I145-A161 WeakPolarHBondContact CG1-O 3.31Å; I145-A161 PolarHBondContact N-O 2.96Å; I145-A161 PolarHBondContact O-N 2.82Å; I145-A161 VanDerWaalsContact O-N 3.14Å; A161-E169 HydrophobicContact CB-CB 3.82Å; A161-A171 HydrophobicContact CB-CB 3.93Å
162G84.3Confident88Confident33 Ų3371 Ų7134%0.3439%0.39SS..  trans175.3104.6-176.900000112.7N141 E169N141-G162 WeakPolarHBondContact ND2-CA 3.3Å; G162-E169 VanDerWaalsContact C-OE1 3.26Å; G162-E169 VanDerWaalsContact C-OE2 3.26Å; G162-E169 WeakPolarHBondContact CA-OE2 3.38Å; G162-E169 VanDerWaalsContact N-CD 3.32Å; G162-E169 PolarHBondContact N-OE1 2.79Å; G162-E169 PolarHBondContact N-OE2 3.37Å
163D70Confident88Confident76 Ų7670 Ų7041%0.40638%0.384SS..  trans-111.2153160.5-155.4-13.4000109.8D165 E169D163-D165 VanDerWaalsContact C-N 3.25Å; D163-E169 PolarHBondContact N-OE1 2.85Å; D163-E169 PolarHBondContact N-OE2 2.9Å
164Q64.9Low88Confident183 Ų18370.6 Ų70.686%0.85539%0.385SS*.SBendtrans-73.8-24178.2-63.3-173.99.600111.5
165D67.4Low87.9Confident111 Ų11165.1 Ų65.159%0.59437%0.365SS*.SBendtrans-82.8146.5174.5-66.2-36000111D163 T167D163-D165 VanDerWaalsContact C-N 3.25Å; D165-T167 HydrophobicContact CB-CG2 4.19Å; D165-T167 PolarHBondContact O-N 2.97Å; D165-T167 PolarHBondContact O-OG1 2.98Å
166V64.8Low87.8Confident84 Ų8466.8 Ų66.851%0.50937%0.37SS..SBendtrans-70.382.3-178-175.20000109.7Y140 R142Y140-V166 HydrophobicContact CD1-CG1 3.94Å; R142-V166 HydrophobicContact CG-CG2 4.43Å
167T71.7Confident87.9Confident50 Ų5064.5 Ų64.531%0.30736%0.356SS..  trans-114.1160.3-179.662.90000111D165 E169D165-T167 HydrophobicContact CB-CG2 4.19Å; D165-T167 PolarHBondContact O-N 2.97Å; D165-T167 PolarHBondContact O-OG1 2.98Å; T167-E169 WeakPolarHBondContact OG1-CG 3.16Å
168R81.3Confident87.9Confident195 Ų19566.6 Ų66.674%0.73637%0.37SS*.  trans-87.6117170.6-64.2-176.3176.6162.9-1.7107.5V139V139-R168 HydrophobicContact CB-CG 4.44Å; V139-R168 HydrophobicContact CG1-CG 4.13Å; V139-R168 HydrophobicContact CG2-CG 4.42Å
169E89.8Confident87.9Confident41 Ų4164.8 Ų64.819%0.19236%0.358CS..EExtended strand (participates in β ladder)trans-126.9156.3-177.9-61.3-176.7108.600111.4V137 K138 N141 A161 G162 D163 T167V137-E169 WeakPolarHBondContact CA-O 3.41Å; K138-E169 PolarHBondContact N-O 2.8Å; K138-E169 PolarHBondContact O-N 2.88Å; N141-E169 PolarHBondContact ND2-OE2 2.81Å; A161-E169 HydrophobicContact CB-CB 3.82Å; G162-E169 VanDerWaalsContact C-OE1 3.26Å; G162-E169 VanDerWaalsContact C-OE2 3.26Å; G162-E169 WeakPolarHBondContact CA-OE2 3.38Å; G162-E169 VanDerWaalsContact N-CD 3.32Å; G162-E169 PolarHBondContact N-OE1 2.79Å; G162-E169 PolarHBondContact N-OE2 3.37Å; D163-E169 PolarHBondContact N-OE1 2.85Å; D163-E169 PolarHBondContact N-OE2 2.9Å; T167-E169 WeakPolarHBondContact OG1-CG 3.16Å
170A92.7Very high87.9Confident47 Ų4768.5 Ų68.539%0.38837%0.374SS..EExtended strand (participates in β ladder)trans-129.9118.7-179.700000111.1V136 V137 T172V136-A170 CarbonylContact O-C 3.45Å; V136-A170 VanDerWaalsContact O-CA 3.3Å; V136-A170 WeakPolarHBondContact O-CA 3.48Å; V137-A170 HydrophobicContact CG2-CB 4.15Å; A170-T172 PolarHBondContact O-N 3.36Å
171A96.4Very high88Confident0 Ų072.4 Ų72.40%039%0.385CS..EExtended strand (participates in β ladder)trans-77.8103.616800000107.7V136 I145 V147 A159 A161V136-A171 HydrophobicContact CB-CB 4.46Å; V136-A171 PolarHBondContact N-O 3.16Å; V136-A171 PolarHBondContact O-N 2.83Å; I145-A171 HydrophobicContact CD1-CB 4.25Å; V147-A171 HydrophobicContact CB-CB 4.19Å; V147-A171 HydrophobicContact CG2-CB 3.94Å; A159-A171 HydrophobicContact CB-CB 3.85Å; A161-A171 HydrophobicContact CB-CB 3.93Å
172T97.6Very high88.4Confident66 Ų6673.9 Ų73.941%0.40540%0.401SS..EExtended strand (participates in β ladder)trans-117.2130.8-174-61.40000111F134 H135 A170F134-T172 WeakPolarHBondContact O-CA 3.34Å; H135-T172 WeakPolarHBondContact CE1-CG2 3.37Å; H135-T172 WeakPolarHBondContact ND1-CG2 2.92Å; H135-T172 PolarHBondContact ND1-OG1 3.46Å; A170-T172 PolarHBondContact O-N 3.36Å
173N98.2Very high89Confident55 Ų5573.8 Ų73.829%0.29439%0.393SS..EExtended strand (participates in β ladder)trans-155.8163.4166.1-153.6-17.5000110.7F134 I157 S158 A159F134-N173 WeakPolarHBondContact CD1-O 3.19Å; F134-N173 HydrophobicContact CE1-CB 3.8Å; F134-N173 HydrophobicContact CE2-CB 4.35Å; F134-N173 HydrophobicContact CZ-CB 3.61Å; F134-N173 PolarHBondContact N-O 3.42Å; F134-N173 PolarHBondContact O-N 2.66Å; I157-N173 HydrophobicContact CD1-CB 4.24Å; S158-N173 PolarHBondContact O-ND2 3.2Å; A159-N173 HydrophobicContact CB-CB 4.04Å
174A96.7Very high90.4Very high53 Ų5375.3 Ų75.344%0.43840%0.396SS..EExtended strand (participates in β ladder)trans-148.9151.717700000110.7F132 C133F132-A174 CarbonylContact O-C 3.54Å; F132-A174 WeakPolarHBondContact O-CA 3.22Å; F132-A174 WeakPolarHBondContact O-CB 3.13Å; C133-A174 HydrophobicContact CB-CB 4.03Å
175G94.3Very high92Very high21 Ų2166.7 Ų66.722%0.21636%0.356CS..EExtended strand (participates in β ladder)trans-162.8166.1-179.100000113.7F132F132-G175 PolarHBondContact N-O 3.29Å; F132-G175 PolarHBondContact O-N 2.81Å
176L96.6Very high93.5Very high108 Ų10863.4 Ų63.457%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-106.1134.6170.6-66.2171.1000108.8V129 F130 V208V129-L176 HydrophobicContact CG1-CB 4.24Å; V129-L176 HydrophobicContact CG1-CD2 4.27Å; F130-L176 CarbonylContact O-C 3.52Å; F130-L176 VanDerWaalsContact O-CA 3.31Å; F130-L176 WeakPolarHBondContact O-CA 3.25Å; L176-V208 HydrophobicContact CD2-CG2 3.78Å
177V97.6Very high95.1Very high19 Ų1959.4 Ų59.412%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-136144.4178.1-62.10000110.5V129 F130 F132 V156 M179V129-V177 WeakPolarHBondContact CA-O 3.39Å; F130-V177 HydrophobicContact CB-CG2 4.42Å; F130-V177 PolarHBondContact N-O 2.92Å; F130-V177 PolarHBondContact O-N 3.34Å; F132-V177 HydrophobicContact CD2-CG2 3.7Å; F132-V177 HydrophobicContact CE2-CG2 3.49Å; F132-V177 VanDerWaalsContact CE2-CG2 3.49Å; V156-V177 HydrophobicContact CG1-CG1 3.76Å; V177-M179 HydrophobicContact CG2-CG 3.96Å; V177-M179 HydrophobicContact CG2-SD 4.21Å
178T98.2Very high96.4Very high80 Ų8059.6 Ų59.649%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-83131.8167.1-55.40000108.5G128 L211G128-T178 WeakPolarHBondContact O-CA 3.24Å; T178-L211 HydrophobicContact CG2-CD1 3.89Å
179M98.5Very high97.1Very high1 Ų150.9 Ų50.91%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-127.6145.4175.6-61.6178.571.600109.9F122 A124 K127 G128 F130 F132 L151 V177 D183 A185F122-M179 HydrophobicContact CD1-CE 4.16Å; F122-M179 HydrophobicContact CD1-SD 4.39Å; F122-M179 HydrophobicContact CE1-CE 4.33Å; F122-M179 HydrophobicContact CE1-SD 4.23Å; A124-M179 HydrophobicContact CB-CB 3.78Å; A124-M179 HydrophobicContact CB-CE 3.71Å; A124-M179 HydrophobicContact CB-SD 4.19Å; K127-M179 VanDerWaalsContact CA-O 3.26Å; K127-M179 WeakPolarHBondContact CA-O 3.42Å; G128-M179 PolarHBondContact N-O 2.89Å; G128-M179 VanDerWaalsContact N-O 3.09Å; G128-M179 PolarHBondContact O-N 3.44Å; F130-M179 HydrophobicContact CB-SD 4.16Å; F130-M179 HydrophobicContact CD2-CB 3.74Å; F130-M179 HydrophobicContact CD2-CG 3.9Å; F130-M179 HydrophobicContact CD2-SD 3.87Å; F130-M179 HydrophobicContact CE2-CB 3.86Å; F130-M179 HydrophobicContact CE2-CG 4.48Å; F130-M179 HydrophobicContact CE2-SD 4.46Å; F130-M179 HydrophobicContact CG-SD 4Å; F132-M179 HydrophobicContact CE2-SD 3.63Å; F132-M179 HydrophobicContact CZ-SD 3.63Å; L151-M179 HydrophobicContact CD1-CE 3.57Å; L151-M179 HydrophobicContact CD1-CG 3.94Å; L151-M179 HydrophobicContact CD1-SD 4.21Å; V177-M179 HydrophobicContact CG2-CG 3.96Å; V177-M179 HydrophobicContact CG2-SD 4.21Å; M179-D183 WeakPolarHBondContact CA-OD2 3.4Å; M179-D183 HydrophobicContact CB-CB 4.06Å; M179-D183 HydrophobicContact CE-CB 3.65Å; M179-D183 WeakPolarHBondContact CE-O 3.29Å; M179-D183 HydrophobicContact CG-CB 4.49Å; M179-A185 HydrophobicContact CE-CB 3.85Å; M179-A185 HydrophobicContact SD-CB 4.33Å
180E98.4Very high97.4Very high85 Ų8552.2 Ų52.240%0.39728%0.282SS..  trans-90.5164.4168.6-66.3-63.916200111A124 K127 G182 D183A124-E180 VanDerWaalsContact CB-O 3.31Å; A124-E180 WeakPolarHBondContact CB-O 3.17Å; K127-E180 VanDerWaalsContact CE-OE1 3.31Å; K127-E180 WeakPolarHBondContact CE-OE1 3.43Å; K127-E180 WeakPolarHBondContact CG-OE2 3.32Å; K127-E180 IonicContact NZ-OE1 3.51Å; K127-E180 PolarHBondContact NZ-OE1 2.89Å; K127-E180 IonicContact NZ-OE2 2.84Å; E180-G182 PolarHBondContact O-N 2.98Å; E180-D183 PolarHBondContact N-OD2 2.93Å; E180-D183 WeakPolarHBondContact O-CB 3.42Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-D183 VanDerWaalsContact O-N 3.13Å
181R97.8Very high97.4Very high206 Ų20657.4 Ų57.478%0.77729%0.291SS*.THydrogen-bonded Turntrans-59.8125.5174.7178.6173.1175.9-172-0.3110.2A124 P125A124-R181 WeakPolarHBondContact O-CA 3.45Å; P125-R181 WeakPolarHBondContact O-CD 3.21Å; P125-R181 WeakPolarHBondContact O-CG 3.22Å
182G98.3Very high97.2Very high38 Ų3858.4 Ų58.439%0.39230%0.302SS..THydrogen-bonded Turntrans93.8-817900000114.3A124 E180A124-G182 PolarHBondContact O-N 2.92Å; E180-G182 PolarHBondContact O-N 2.98Å
183D98.8Very high96.8Very high30 Ų3057.8 Ų57.816%0.1630%0.296CS..  trans-61.4143.6173.6-78.5-8.1000111.2V123 A124 L151 N152 M179 E180V123-D183 CarbonylContact C-O 3.57Å; V123-D183 WeakPolarHBondContact CA-O 3.35Å; A124-D183 HydrophobicContact CB-CB 4.4Å; A124-D183 PolarHBondContact N-O 2.66Å; L151-D183 HydrophobicContact CD1-CB 4.06Å; N152-D183 PolarHBondContact ND2-OD1 3.24Å; N152-D183 WeakPolarHBondContact OD1-CA 3.36Å; M179-D183 WeakPolarHBondContact CA-OD2 3.4Å; M179-D183 HydrophobicContact CB-CB 4.06Å; M179-D183 HydrophobicContact CE-CB 3.65Å; M179-D183 WeakPolarHBondContact CE-O 3.29Å; M179-D183 HydrophobicContact CG-CB 4.49Å; E180-D183 PolarHBondContact N-OD2 2.93Å; E180-D183 WeakPolarHBondContact O-CB 3.42Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-D183 VanDerWaalsContact O-N 3.13Å
184K98.7Very high96.4Very high108 Ų10855.4 Ų55.447%0.4728%0.283SS..EExtended strand (participates in β ladder)trans-113.1124.5-174.3-62.2179.8-175.81720110.7I121 F122 V123 L151 N152I121-K184 HydrophobicContact CG2-CB 3.88Å; I121-K184 HydrophobicContact CG2-CD 4.44Å; I121-K184 HydrophobicContact CG2-CG 4.18Å; F122-K184 CarbonylContact O-C 3.57Å; F122-K184 WeakPolarHBondContact O-CA 3.46Å; V123-K184 HydrophobicContact CG2-CG 4.35Å; L151-K184 WeakPolarHBondContact CA-O 3.18Å; N152-K184 PolarHBondContact N-O 3.21Å; N152-K184 PolarHBondContact OD1-N 2.77Å
185A98.8Very high96Very high2 Ų257.6 Ų57.62%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-114.7131.5173.400000110.9F122 F132 L149 V150 M179F122-A185 HydrophobicContact CB-CB 4.38Å; F122-A185 HydrophobicContact CD1-CB 4.34Å; F122-A185 PolarHBondContact N-O 3.17Å; F122-A185 PolarHBondContact O-N 2.88Å; F132-A185 HydrophobicContact CE1-CB 3.8Å; F132-A185 HydrophobicContact CE2-CB 4.14Å; F132-A185 HydrophobicContact CZ-CB 3.53Å; L149-A185 HydrophobicContact CD1-CB 4.45Å; V150-A185 VanDerWaalsContact O-CA 3.31Å; V150-A185 WeakPolarHBondContact O-CA 3.29Å; M179-A185 HydrophobicContact CE-CB 3.85Å; M179-A185 HydrophobicContact SD-CB 4.33Å
186Y98.6Very high95.6Very high42 Ų4257.9 Ų57.917%0.16529%0.289CS..EExtended strand (participates in β ladder)trans-156.7167177.758.6-84.4000111.1T101 I121 V150 K188T101-Y186 HydrophobicContact CG2-CD2 4.16Å; I121-Y186 HydrophobicContact CG1-CD1 4.26Å; I121-Y186 HydrophobicContact CG1-CG 4.23Å; V150-Y186 HydrophobicContact CB-CD2 4.25Å; V150-Y186 HydrophobicContact CB-CE1 4.25Å; V150-Y186 HydrophobicContact CB-CE2 3.91Å; V150-Y186 HydrophobicContact CG1-CE1 3.9Å; V150-Y186 HydrophobicContact CG1-CE2 3.97Å; V150-Y186 WeakPolarHBondContact CG1-OH 3.41Å; V150-Y186 HydrophobicContact CG2-CE2 4.37Å; V150-Y186 PolarHBondContact N-O 3.21Å; V150-Y186 PolarHBondContact O-N 2.79Å; V150-Y186 VanDerWaalsContact O-N 3.07Å; Y186-K188 HydrophobicContact CE2-CB 4.26Å
187L98.6Very high95.4Very high0 Ų052.8 Ų52.80%026%0.262CS..EExtended strand (participates in β ladder)trans-96.7134.7175.1-57.6-175.9000110.7I102 F104 F134 V136 V147 S148 L149 F203I102-L187 HydrophobicContact CB-CB 4.15Å; I102-L187 HydrophobicContact CD1-CB 4.22Å; I102-L187 HydrophobicContact CG1-CB 4.38Å; I102-L187 PolarHBondContact N-O 3.23Å; F104-L187 HydrophobicContact CE2-CD1 4.04Å; F104-L187 HydrophobicContact CZ-CD1 3.83Å; F134-L187 HydrophobicContact CB-CD1 3.51Å; F134-L187 HydrophobicContact CB-CD2 4.05Å; F134-L187 HydrophobicContact CB-CG 4.41Å; F134-L187 HydrophobicContact CD1-CD2 3.7Å; F134-L187 HydrophobicContact CD2-CD1 4.21Å; F134-L187 HydrophobicContact CD2-CD2 4.4Å; F134-L187 HydrophobicContact CE1-CD2 4.21Å; F134-L187 HydrophobicContact CG-CD1 3.9Å; F134-L187 HydrophobicContact CG-CD2 3.8Å; V136-L187 HydrophobicContact CG2-CD1 4.13Å; V147-L187 HydrophobicContact CG1-CB 4.36Å; S148-L187 WeakPolarHBondContact O-CA 3.43Å; L149-L187 HydrophobicContact CB-CD2 4.19Å; L149-L187 HydrophobicContact CD1-CD2 3.97Å; L187-F203 HydrophobicContact CD1-CB 3.98Å; L187-F203 HydrophobicContact CD1-CD1 4.35Å; L187-F203 HydrophobicContact CD1-CD2 4Å; L187-F203 HydrophobicContact CD1-CG 3.87Å; L187-F203 HydrophobicContact CD2-CD2 4.16Å; L187-F203 HydrophobicContact CD2-CE2 3.96Å; L187-F203 HydrophobicContact CD2-CZ 4.28Å; L187-F203 HydrophobicContact CG-CD1 4.12Å; L187-F203 HydrophobicContact CG-CD2 4.03Å; L187-F203 HydrophobicContact CG-CE1 4.23Å; L187-F203 HydrophobicContact CG-CE2 4.15Å; L187-F203 HydrophobicContact CG-CG 4.03Å; L187-F203 HydrophobicContact CG-CZ 4.25Å
188K98Very high95.2Very high54 Ų5452 Ų5224%0.23526%0.257CS..EExtended strand (participates in β ladder)trans-123.8137.3176.5-172.4170.4163.8-123.10110.4M100 V147 S148 V150 Y186 E190M100-K188 HydrophobicContact CB-CG 4.1Å; M100-K188 CarbonylContact O-C 3.58Å; M100-K188 WeakPolarHBondContact O-CA 3.33Å; V147-K188 WeakPolarHBondContact CA-O 3.27Å; S148-K188 PolarHBondContact N-O 3.23Å; S148-K188 PolarHBondContact O-N 3.14Å; V150-K188 HydrophobicContact CG2-CB 3.59Å; V150-K188 HydrophobicContact CG2-CD 4.35Å; Y186-K188 HydrophobicContact CE2-CB 4.26Å; K188-E190 WeakPolarHBondContact CD-OE1 2.98Å; K188-E190 IonicContact NZ-OE1 3.93Å; K188-E190 PolarHBondContact NZ-OE1 2.81Å; K188-E190 IonicContact NZ-OE2 2.84Å; K188-E190 PolarHBondContact NZ-OE2 2.74Å; K188-E190 PolarHBondContact O-N 2.89Å
189L96.9Very high95Very high12 Ų1250.5 Ų50.56%0.06324%0.244CC..EExtended strand (participates in β ladder)trans-82.898.5169.8-17371.8000108.5M100 I102 I145 Q146 V147 R191 L194M100-L189 HydrophobicContact CB-CB 4.4Å; M100-L189 WeakPolarHBondContact CB-O 3.3Å; M100-L189 PolarHBondContact O-N 2.88Å; I102-L189 HydrophobicContact CD1-CB 4.45Å; I102-L189 HydrophobicContact CG1-CB 4.34Å; I145-L189 HydrophobicContact CB-CD1 3.97Å; I145-L189 HydrophobicContact CG2-CD1 4.23Å; Q146-L189 CarbonylContact O-C 3.55Å; V147-L189 HydrophobicContact CG2-CD1 4.19Å; L189-R191 WeakPolarHBondContact CD1-O 3.1Å; L189-L194 HydrophobicContact CD1-CD2 4.4Å; L189-L194 HydrophobicContact CD1-CG 4.41Å; L189-L194 HydrophobicContact CD2-CG 3.99Å
190E96.1Very high94.9Very high70 Ų7057.5 Ų57.533%0.32727%0.271SS..EExtended strand (participates in β ladder)trans-78.3-27.7-179.4-67.6-63.8165.800112.2Q146 S148 K188Q146-E190 HydrophobicContact CB-CB 4.37Å; Q146-E190 HydrophobicContact CG-CB 4.11Å; Q146-E190 PolarHBondContact O-N 3.47Å; S148-E190 WeakPolarHBondContact OG-CG 3.36Å; K188-E190 WeakPolarHBondContact CD-OE1 2.98Å; K188-E190 IonicContact NZ-OE1 3.93Å; K188-E190 PolarHBondContact NZ-OE1 2.81Å; K188-E190 IonicContact NZ-OE2 2.84Å; K188-E190 PolarHBondContact NZ-OE2 2.74Å; K188-E190 PolarHBondContact O-N 2.89Å
191R93.3Very high94.9Very high155 Ų15553.5 Ų53.559%0.58525%0.252SS*.EExtended strand (participates in β ladder)trans-144.3145.5178.7-167.3177.1178.2-175.6-1.8111.2I145 Q146 L189I145-R191 VanDerWaalsContact CA-O 3.29Å; I145-R191 WeakPolarHBondContact CA-O 3.18Å; Q146-R191 HydrophobicContact CB-CB 3.69Å; Q146-R191 PolarHBondContact N-O 3.04Å; Q146-R191 PolarHBondContact O-N 3.21Å; L189-R191 WeakPolarHBondContact CD1-O 3.1Å
192G91.4Very high94.9Very high22 Ų2245.6 Ų45.623%0.22723%0.227CC..SBendtrans91-158.8175.600000112.9
193N89.7Confident94.9Very high52 Ų5243.8 Ų43.828%0.27821%0.209SC..  trans-144.2160.1176.56669.7000110.1K138 Q143 M195K138-N193 WeakPolarHBondContact CE-O 3.45Å; K138-N193 PolarHBondContact NZ-O 3.3Å; Q143-N193 PolarHBondContact OE1-ND2 2.98Å; N193-M195 HydrophobicContact CB-CG 4.12Å; N193-M195 WeakPolarHBondContact OD1-CB 3.5Å; N193-M195 VanDerWaalsContact OD1-CG 3.22Å; N193-M195 WeakPolarHBondContact OD1-CG 3.1Å; N193-M195 PolarHBondContact OD1-N 2.95Å
194L89.9Confident94.9Very high5 Ų544.1 Ų44.13%0.02621%0.213CC..  trans-105.733.3173.9-61.3173.9000111.5P92 I102 V136 I145 L189 G197 W198P92-L194 HydrophobicContact CG-CB 4.18Å; I102-L194 HydrophobicContact CD1-CD1 4.34Å; I102-L194 HydrophobicContact CG1-CD1 4.09Å; I102-L194 HydrophobicContact CG2-CD1 4.18Å; V136-L194 HydrophobicContact CG1-CD2 4.13Å; I145-L194 HydrophobicContact CD1-CD2 4.3Å; L189-L194 HydrophobicContact CD1-CD2 4.4Å; L189-L194 HydrophobicContact CD1-CG 4.41Å; L189-L194 HydrophobicContact CD2-CG 3.99Å; L194-G197 PolarHBondContact O-N 3.06Å; L194-G197 VanDerWaalsContact O-N 3.1Å; L194-W198 HydrophobicContact CB-CD2 4.26Å; L194-W198 HydrophobicContact CB-CE3 3.58Å; L194-W198 HydrophobicContact CB-CZ3 4.1Å; L194-W198 HydrophobicContact CD1-CB 4.42Å; L194-W198 HydrophobicContact CD1-CD2 3.81Å; L194-W198 HydrophobicContact CD1-CE3 3.91Å; L194-W198 HydrophobicContact CD1-CG 4.06Å; L194-W198 HydrophobicContact CD1-CZ3 4.48Å; L194-W198 HydrophobicContact CD2-CB 4.25Å; L194-W198 HydrophobicContact CG-CE3 4.33Å
195M87.7Confident94.9Very high99 Ų9939.1 Ų39.149%0.48819%0.192SC..THydrogen-bonded Turntrans-60.1140.5174.2-63.4-63.8-57.900110.1E91 N193 G197E91-M195 WeakPolarHBondContact OE2-CA 3.32Å; E91-M195 WeakPolarHBondContact OE2-CE 3.26Å; N193-M195 HydrophobicContact CB-CG 4.12Å; N193-M195 WeakPolarHBondContact OD1-CB 3.5Å; N193-M195 VanDerWaalsContact OD1-CG 3.22Å; N193-M195 WeakPolarHBondContact OD1-CG 3.1Å; N193-M195 PolarHBondContact OD1-N 2.95Å; M195-G197 VanDerWaalsContact C-N 3.29Å
196G86.6Confident94.8Very high27 Ų2742.2 Ų42.228%0.27821%0.205SC..THydrogen-bonded Turntrans83.62.5-17200000114.2E91E91-G196 WeakPolarHBondContact OE1-CA 3.48Å; E91-G196 PolarHBondContact OE1-N 2.94Å; E91-G196 PolarHBondContact OE2-N 2.84Å
197G90.6Very high94.6Very high1 Ų141 Ų411%0.0120%0.202CC..  trans81.6166.8177.400000114.4L194 M195L194-G197 PolarHBondContact O-N 3.06Å; L194-G197 VanDerWaalsContact O-N 3.1Å; M195-G197 VanDerWaalsContact C-N 3.29Å
198W94.2Very high94.4Very high2 Ų242.2 Ų42.21%0.00821%0.209CC..  trans-131.138.3-177.362.2101.5000112.1R86 H90 P92 Y103 V137 L194 S201R86-W198 WeakPolarHBondContact CB-O 3.5Å; R86-W198 VanDerWaalsContact CD-NE1 3.3Å; R86-W198 HydrophobicContact CG-CD2 4.29Å; R86-W198 HydrophobicContact CG-CG 4.01Å; R86-W198 WeakPolarHBondContact CG-O 3.44Å; H90-W198 WeakPolarHBondContact O-CZ3 3.35Å; P92-W198 HydrophobicContact CB-CH2 4.31Å; P92-W198 HydrophobicContact CB-CZ3 4.21Å; P92-W198 HydrophobicContact CG-CH2 4.29Å; P92-W198 HydrophobicContact CG-CZ3 3.7Å; Y103-W198 PolarHBondContact O-NE1 2.84Å; V137-W198 CarbonylContact O-C 3.57Å; V137-W198 WeakPolarHBondContact O-CA 3.35Å; V137-W198 VanDerWaalsContact O-CB 3.31Å; V137-W198 WeakPolarHBondContact O-CB 3.41Å; L194-W198 HydrophobicContact CB-CD2 4.26Å; L194-W198 HydrophobicContact CB-CE3 3.58Å; L194-W198 HydrophobicContact CB-CZ3 4.1Å; L194-W198 HydrophobicContact CD1-CB 4.42Å; L194-W198 HydrophobicContact CD1-CD2 3.81Å; L194-W198 HydrophobicContact CD1-CE3 3.91Å; L194-W198 HydrophobicContact CD1-CG 4.06Å; L194-W198 HydrophobicContact CD1-CZ3 4.48Å; L194-W198 HydrophobicContact CD2-CB 4.25Å; L194-W198 HydrophobicContact CG-CE3 4.33Å; W198-S201 VanDerWaalsContact O-CB 3.22Å; W198-S201 WeakPolarHBondContact O-CB 3.26Å; W198-S201 PolarHBondContact O-N 3.18Å; W198-S201 PolarHBondContact O-OG 2.87Å
199K94.9Very high94Very high49 Ų4944.5 Ų44.521%0.21322%0.219CC..THydrogen-bonded Turntrans-53.5148.9176.5-173.7172.3179.4166.60110.8R86 N87 N89 S201R86-K199 WeakPolarHBondContact O-CA 3.31Å; N87-K199 WeakPolarHBondContact O-CD 3.39Å; N87-K199 WeakPolarHBondContact O-CE 3.41Å; N87-K199 PolarHBondContact O-NZ 2.68Å; N89-K199 WeakPolarHBondContact OD1-CB 3.41Å; K199-S201 PolarHBondContact O-N 2.8Å
200Y95.5Very high93.7Very high149 Ų14946.5 Ų46.558%0.58423%0.233SC*.THydrogen-bonded Turntrans75.2-3.8-175-45.5-69.7000114.9R86R86-Y200 PolarHBondContact O-N 3.04Å
201S97.6Very high93.4Very high0 Ų049.1 Ų49.10%025%0.249CC..  trans-62.6144.3171.8-59.10000111.3V85 R86 H135 V136 V137 W198 K199V85-S201 CarbonylContact C-O 3.49Å; V85-S201 VanDerWaalsContact CA-O 3.29Å; V85-S201 WeakPolarHBondContact CA-O 3.33Å; R86-S201 PolarHBondContact N-O 2.78Å; H135-S201 CarbonylContact O-C 3.54Å; H135-S201 WeakPolarHBondContact O-CA 3.44Å; H135-S201 WeakPolarHBondContact O-CB 3.3Å; V136-S201 WeakPolarHBondContact CA-OG 3.19Å; V137-S201 PolarHBondContact N-OG 2.84Å; V137-S201 PolarHBondContact O-OG 3.12Å; W198-S201 VanDerWaalsContact O-CB 3.22Å; W198-S201 WeakPolarHBondContact O-CB 3.26Å; W198-S201 PolarHBondContact O-N 3.18Å; W198-S201 PolarHBondContact O-OG 2.87Å; K199-S201 PolarHBondContact O-N 2.8Å
202T98.6Very high93.4Very high41 Ų4143.9 Ų43.925%0.25223%0.232SC..EExtended strand (participates in β ladder)trans-129.6146179.667.80000111A84 V85 F134 H135A84-T202 WeakPolarHBondContact O-CA 3.4Å; V85-T202 HydrophobicContact CG1-CG2 3.91Å; F134-T202 WeakPolarHBondContact CA-O 3.37Å; H135-T202 PolarHBondContact CD2-OG1 2.82Å; H135-T202 VanDerWaalsContact CD2-OG1 3.29Å; H135-T202 PolarHBondContact N-O 2.71Å; H135-T202 PolarHBondContact O-N 2.78Å
203F98.8Very high93.5Very high0 Ų045 Ų450%023%0.232CC..EExtended strand (participates in β ladder)trans-141.1123.3168.9179.9-146.2000109.1F82 A84 F104 F115 F132 F134 L149 L187F82-F203 AromaticContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD2 4.29Å; F82-F203 AromaticContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE2 4.38Å; F82-F203 AromaticContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CZ 4.16Å; F82-F203 HydrophobicContact CZ-CD1 4.14Å; F82-F203 HydrophobicContact CZ-CD2 4.25Å; F82-F203 AromaticContact CZ-CE1 3.81Å; F82-F203 HydrophobicContact CZ-CE1 3.81Å; F82-F203 AromaticContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CG 4.35Å; F82-F203 AromaticContact CZ-CZ 3.7Å; F82-F203 HydrophobicContact CZ-CZ 3.7Å; A84-F203 PolarHBondContact N-O 2.69Å; A84-F203 PolarHBondContact O-N 3.16Å; F104-F203 HydrophobicContact CD1-CB 4.39Å; F104-F203 HydrophobicContact CD2-CB 4.13Å; F104-F203 HydrophobicContact CD2-CD1 4.48Å; F104-F203 HydrophobicContact CE1-CB 3.87Å; F104-F203 HydrophobicContact CE2-CB 3.58Å; F104-F203 HydrophobicContact CE2-CD1 4.12Å; F104-F203 HydrophobicContact CE2-CG 4.24Å; F104-F203 HydrophobicContact CZ-CB 3.44Å; F104-F203 VanDerWaalsContact CZ-CB 3.44Å; F104-F203 HydrophobicContact CZ-CG 4.45Å; F115-F203 AromaticContact CE2-CD1 3.9Å; F115-F203 HydrophobicContact CE2-CD1 3.9Å; F115-F203 AromaticContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CZ-CD1 4.4Å; F132-F203 HydrophobicContact CB-CE2 4.41Å; F132-F203 AromaticContact CD1-CE2 3.78Å; F132-F203 HydrophobicContact CD1-CE2 3.78Å; F132-F203 AromaticContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CE1-CZ 4.33Å; F132-F203 HydrophobicContact CG-CE2 4.49Å; F134-F203 HydrophobicContact CB-CD2 4.05Å; L149-F203 HydrophobicContact CD1-CE2 4.05Å; L149-F203 HydrophobicContact CD1-CZ 4.01Å; L187-F203 HydrophobicContact CD1-CB 3.98Å; L187-F203 HydrophobicContact CD1-CD1 4.35Å; L187-F203 HydrophobicContact CD1-CD2 4Å; L187-F203 HydrophobicContact CD1-CG 3.87Å; L187-F203 HydrophobicContact CD2-CD2 4.16Å; L187-F203 HydrophobicContact CD2-CE2 3.96Å; L187-F203 HydrophobicContact CD2-CZ 4.28Å; L187-F203 HydrophobicContact CG-CD1 4.12Å; L187-F203 HydrophobicContact CG-CD2 4.03Å; L187-F203 HydrophobicContact CG-CE1 4.23Å; L187-F203 HydrophobicContact CG-CE2 4.15Å; L187-F203 HydrophobicContact CG-CG 4.03Å; L187-F203 HydrophobicContact CG-CZ 4.25Å
204S98.7Very high93.7Very high36 Ų3644.6 Ų44.625%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-140.3158.2-178.161.50000111.3F82 F132 C133F82-S204 WeakPolarHBondContact O-CA 3.34Å; F82-S204 WeakPolarHBondContact O-CB 3.38Å; F132-S204 WeakPolarHBondContact CA-O 3.32Å; C133-S204 PolarHBondContact N-O 3.43Å; C133-S204 PolarHBondContact O-N 3.5Å
205G97.9Very high93.9Very high3 Ų346.9 Ų46.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-173.2162.5173.900000113.1A81 F82 S131A81-G205 CarbonylContact C-O 3.51Å; A81-G205 WeakPolarHBondContact CA-O 3.36Å; F82-G205 WeakPolarHBondContact CD1-O 3.37Å; F82-G205 PolarHBondContact N-O 3.37Å; F82-G205 PolarHBondContact O-N 3.47Å; S131-G205 CarbonylContact O-C 3.59Å; S131-G205 WeakPolarHBondContact O-CA 2.96Å
206F96.9Very high94.3Very high67 Ų6743.7 Ų43.729%0.29423%0.226SC..EExtended strand (participates in β ladder)trans-156.5157.8-17761.6-84.4000111.6L53 V55 V80 A81 F130 S131 V208L53-F206 HydrophobicContact CD2-CE2 3.65Å; L53-F206 HydrophobicContact CD2-CZ 3.53Å; V55-F206 HydrophobicContact CG2-CE2 4.15Å; V80-F206 CarbonylContact O-C 3.47Å; V80-F206 VanDerWaalsContact O-CA 3.24Å; V80-F206 WeakPolarHBondContact O-CA 3.44Å; V80-F206 VanDerWaalsContact O-CB 3.28Å; V80-F206 WeakPolarHBondContact O-CB 3.34Å; A81-F206 HydrophobicContact CB-CB 3.8Å; F130-F206 WeakPolarHBondContact CA-O 3.19Å; S131-F206 PolarHBondContact N-O 3.46Å; S131-F206 PolarHBondContact O-N 3.32Å; F206-V208 HydrophobicContact CE2-CG2 4.08Å
207L95.4Very high94.8Very high18 Ų1844.8 Ų44.89%0.09422%0.223CC..EExtended strand (participates in β ladder)trans-74.8122.5172176.466.2000109.1V80 R126 F130 F209V80-L207 HydrophobicContact CB-CB 3.81Å; V80-L207 HydrophobicContact CG2-CB 4.34Å; V80-L207 HydrophobicContact CG2-CD2 4.28Å; V80-L207 PolarHBondContact O-N 3.38Å; R126-L207 HydrophobicContact CG-CD2 4.47Å; F130-L207 HydrophobicContact CD1-CB 4.08Å; F130-L207 HydrophobicContact CD1-CD1 4.31Å; F130-L207 HydrophobicContact CD2-CD1 4.32Å; F130-L207 HydrophobicContact CE1-CB 3.73Å; F130-L207 HydrophobicContact CE1-CD1 3.88Å; F130-L207 HydrophobicContact CE1-CG 4.38Å; F130-L207 HydrophobicContact CE2-CD1 3.9Å; F130-L207 HydrophobicContact CZ-CB 4.35Å; F130-L207 HydrophobicContact CZ-CD1 3.68Å; L207-F209 WeakPolarHBondContact CD1-O 3.16Å
208V93.6Very high95.1Very high25 Ų2547.9 Ų47.915%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-79.4-53.6174.8-170.90000109.7L53 V129 L176 F206L53-V208 HydrophobicContact CD2-CG1 3.93Å; L53-V208 HydrophobicContact CD2-CG2 3.9Å; V129-V208 WeakPolarHBondContact O-CB 3.44Å; V129-V208 PolarHBondContact O-N 3.2Å; L176-V208 HydrophobicContact CD2-CG2 3.78Å; F206-V208 HydrophobicContact CE2-CG2 4.08Å
209F88.9Confident95.2Very high101 Ų10151.5 Ų51.544%0.44326%0.256SS..EExtended strand (participates in β ladder)trans-156.1147.1171.949.5-98.6000111G128 V129 L207 L211G128-F209 WeakPolarHBondContact CA-O 3.28Å; V129-F209 HydrophobicContact CB-CD2 4.33Å; V129-F209 HydrophobicContact CB-CE1 4.37Å; V129-F209 HydrophobicContact CB-CE2 3.84Å; V129-F209 HydrophobicContact CB-CZ 3.84Å; V129-F209 HydrophobicContact CG1-CZ 4.35Å; V129-F209 HydrophobicContact CG2-CD2 4.22Å; V129-F209 HydrophobicContact CG2-CE2 3.4Å; V129-F209 VanDerWaalsContact CG2-CE2 3.4Å; V129-F209 HydrophobicContact CG2-CZ 3.62Å; V129-F209 PolarHBondContact N-O 3.13Å; L207-F209 WeakPolarHBondContact CD1-O 3.16Å; F209-L211 HydrophobicContact CD2-CD2 4.21Å; F209-L211 HydrophobicContact CE2-CD2 3.98Å; F209-L211 HydrophobicContact CE2-CG 4.5Å
210P91.6Very high95.2Very high54 Ų5451.7 Ų51.735%0.35126%0.259SS..EExtended strand (participates in β ladder)trans-71.3155.7172.332.2-35.7000111.6M71M71-P210 HydrophobicContact CE-CB 4.16Å; M71-P210 HydrophobicContact CE-CG 3.83Å
211L89.3Confident95.2Very high126 Ų12642.8 Ų42.866%0.6623%0.23SC*.  trans-118.20171.8-68174.1000111.1K127 V129 T178 F209K127-L211 HydrophobicContact CD-CB 4.01Å; K127-L211 HydrophobicContact CG-CB 4.01Å; K127-L211 PolarHBondContact O-N 3.48Å; V129-L211 HydrophobicContact CG2-CD1 4.15Å; T178-L211 HydrophobicContact CG2-CD1 3.89Å; F209-L211 HydrophobicContact CD2-CD2 4.21Å; F209-L211 HydrophobicContact CE2-CD2 3.98Å; F209-L211 HydrophobicContact CE2-CG 4.5Å

Retrieved 211 of 211 residues in 1140.4 ms (Link to these results)