A0A0D9RLH6_CHLSB Loading...

Transmembrane protein 106B

AlphaFold DB , UniProt , Accession A0A0D9RLH6, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene TMEM106B, Length 274 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.4Very low34.6Very low251 Ų251151.9 Ų151.9100%1.23683%0.829SS**  0102.10-82.9154.6111.300108
2G36.8Very low34Very low73 Ų73145.9 Ų145.975%0.75381%0.806SS**  trans-85.7158176.300000111.7
3K34.9Very low33.5Very low213 Ų213142.9 Ų142.993%0.92680%0.802SS**  trans-162.8105.8141.5-102.6169.3-171.5-172.90108.4
4S34.4Very low33Very low103 Ų103145.9 Ų145.972%0.7280%0.802SS**  trans-83.7146.4150.1175.50000107.3
5L38.1Very low32.6Very low173 Ų173148.1 Ų148.191%0.90680%0.804SS**  trans-159.6108144.7-102.6161.8000108.6
6S34.8Very low32.4Very low82 Ų82148.4 Ų148.457%0.57381%0.805SS**  trans-78.8151.4166.544.50000111.7
7H33Very low32.1Very low179 Ų179145.9 Ų145.983%0.82981%0.809SS**  -169.8124123.2-116.4-89.9000113.7
8L31.6Very low31.8Very low141 Ų141150.2 Ų150.274%0.73881%0.813SS**  trans-30.4174.7158.4-81.1132.9000118.7
9P38.9Very low31.6Very low124 Ų124150.6 Ų150.681%0.80582%0.815SS**  cis-142.1-176.221.130.4-4.3000118.7
10L30.2Very low31.5Very low156 Ų156146.6 Ų146.682%0.81781%0.81SS**  trans-89.1146.1-178-165.1105.4000113.4
11H28Very low31.4Very low176 Ų176145.8 Ų145.882%0.81581%0.809SS**  trans-169112.9149.7-141.9-90.3000108.7
12S27.4Very low30.7Very low80 Ų80140 Ų14056%0.55979%0.788SS**  53.6110.478.7-158.30000117.6
13S26.8Very low30.4Very low107 Ų107142.4 Ų142.475%0.74879%0.793SS**  trans54.9119.7134.1-37.40000123.3
14K27.2Very low30Very low185 Ų185140.1 Ų140.180%0.80479%0.785SS**  55.9122.6127.4-150.8-176.9-176.7-176.80120.3
15E27.3Very low29.8Very low178 Ų178142.1 Ų142.183%0.83279%0.788SS**  171.8151.2118.1-93.4177.8-174.600112.9
16D28.2Very low29.4Very low154 Ų154142.7 Ų142.782%0.82479%0.789SS**  trans-70.6149.7-174.9-56.4-69000114
17A27.7Very low29.3Very low105 Ų105149.1 Ų149.187%0.86880%0.8SS**  trans-165.8130.6147.400000112.5
18Y27.7Very low29.1Very low223 Ų223147.1 Ų147.188%0.87580%0.796SS**  trans-84.3149.8176.1-120.8-106.1000111.6
19D28Very low28.9Very low159 Ų159144.4 Ų144.485%0.8580%0.801SS**  trans164.1113139.6-89.2-15.6000108.2
20G28.1Very low28.6Very low70 Ų70145.7 Ų145.772%0.72280%0.801SS**  94.6129.783.900000109.4
21V29.5Very low28.6Very low129 Ų129143.6 Ų143.678%0.78279%0.794SS**  cis-176.6140.435.2139.50000109.2
22T26.5Very low28.7Very low131 Ų131142.2 Ų142.280%0.80479%0.793SS**  trans55.5128.8150.760.30000124.4
23S29.2Very low28.8Very low122 Ų122143.1 Ų143.185%0.85380%0.799SS**  -164.5123.195-159.80000111.6
24E27.7Very low28.9Very low165 Ų165146.4 Ų146.477%0.77180%0.803SS**  trans-88.9170.7171.7-71.7-167144.700112.4
25N30.7Very low29.1Very low145 Ų145143.5 Ų143.578%0.77580%0.8SS**  trans91.1133.1160-57.5-34000116
26M29.9Very low29.3Very low186 Ų186143.9 Ų143.992%0.91680%0.802SS**  cis-159.4147.143.7-155.9159.317400113.1
27R31Very low29.4Very low216 Ų216143.3 Ų143.382%0.81580%0.798SS**  trans-99143.7179.4-140.1-175.7-173.4-170.82.1109.7
28N30.1Very low29.6Very low138 Ų138147 Ų14774%0.73880%0.798SS**  trans59.6135148.3-63.4-5.1000122
29G27.4Very low30Very low83 Ų83144.6 Ų144.686%0.85680%0.8SS**  trans-148.3124157.500000111
30L32Very low30.3Very low152 Ų152140 Ų14080%0.79679%0.79SS**  trans-92.3143.4-176.4-101.891.5000112.7
31V31.3Very low30.8Very low111 Ų111148.2 Ų148.267%0.67380%0.8SS**  65.8133.2126.2-177.90000123.3
32N29Very low31.3Very low147 Ų147150.3 Ų150.379%0.78681%0.806SS**  trans75.3123.9153.4-80.64.6000121.8
33S29.1Very low32.2Very low100 Ų100147.6 Ų147.670%0.69980%0.804SS**  -177.113585.5-84.70000113.9
34E29Very low32.8Very low176 Ų176149.5 Ų149.582%0.82281%0.805SS**  trans72.2103.1137.4-63.2178176.300123.6
35V31.5Very low34Very low123 Ų123147.5 Ų147.575%0.74580%0.804SS**  32.9118.4124-1700000120
36H30.8Very low35Very low187 Ų187144.6 Ų144.687%0.86680%0.795SS**  -157.9135123.6-117.4-84.2000111.6
37N31.3Very low35.9Very low141 Ų141144.1 Ų144.175%0.75479%0.79SS**  trans-58.6142.2176.9-74.7-54.3000112.6
38E32.8Very low36.6Very low184 Ų184141.9 Ų141.986%0.8679%0.787SS**  172.8132.899.6-86.9-165.7157.200111.1
39D35.4Very low37.3Very low171 Ų171140.6 Ų140.691%0.91479%0.786SS**  trans32.4125.5146.6-1401.3000121.6
40G34.6Very low38.4Very low63 Ų63144.3 Ų144.365%0.64978%0.775SS**  trans130.6117.2149.700000117.9
41R37.4Very low39.6Very low243 Ų243141.7 Ų141.792%0.91777%0.766SS**  trans81.892.3149-64177.6173167.7-1.5118.6
42N41.3Very low40.9Very low172 Ų172142.2 Ų142.292%0.9276%0.761SS**  29.1108113.1-125.216.8000117.3
43G45.3Very low42Very low74 Ų74143.9 Ų143.976%0.76376%0.761SS**  trans82.697.5141.700000116.9
44D41.1Very low43.4Very low162 Ų162144.6 Ų144.687%0.86676%0.761SS**  trans-135.174.6154.9-1496.4000109.7
45V53.1Low44.6Very low123 Ų123138.3 Ų138.375%0.74574%0.744SS**  trans-91112.7159.5176.60000104.9Q47V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.32Å
46S51.6Low45.7Very low84 Ų84144.6 Ų144.659%0.58775%0.754SS**  trans-53.996.1171.9400000109.8F48S46-F48 WeakPolarHBondContact O-CD2 3.17Å; S46-F48 PolarHBondContact O-N 3.49Å
47Q47.8Very low47Very low176 Ų176143.2 Ų143.282%0.82275%0.753SS**  trans-79.888.7-177.5-170.2139.1-23.200108.5V45V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.32Å
48F46.2Very low48.5Very low170 Ų170139.6 Ų139.675%0.74674%0.739SS**  trans-62.1125.8166.1-65.4-84.1000108.2S46 Y50S46-F48 WeakPolarHBondContact O-CD2 3.17Å; S46-F48 PolarHBondContact O-N 3.49Å; F48-Y50 PolarHBondContact O-N 3.31Å; F48-Y50 VanDerWaalsContact O-N 3.08Å
49P45.6Very low50.2Low110 Ų110137.4 Ų137.471%0.71474%0.738SS**  trans-62.8117179.723.2-30.1000108.8V51P49-V51 WeakPolarHBondContact O-CG2 3.36Å; P49-V51 PolarHBondContact O-N 3.3Å; P49-V51 VanDerWaalsContact O-N 3.16Å
50Y51.3Low51.7Low161 Ų161133.7 Ų133.763%0.63172%0.721SS**  trans-64.6112.7169.7177.9-105.9000107.8F48 E52 G66F48-Y50 PolarHBondContact O-N 3.31Å; F48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-E52 HydrophobicContact CD1-CG 3.98Å; Y50-E52 HydrophobicContact CE1-CG 3.3Å; Y50-G66 PolarHBondContact OH-O 3.17Å
51V56.2Low53Low98 Ų98133.4 Ų133.459%0.59471%0.709SS**  trans-98.7114.3176.5-135.80000107.7P49 F53P49-V51 WeakPolarHBondContact O-CG2 3.36Å; P49-V51 PolarHBondContact O-N 3.3Å; P49-V51 VanDerWaalsContact O-N 3.16Å; V51-F53 HydrophobicContact CB-CD2 4.27Å; V51-F53 HydrophobicContact CB-CE2 4.15Å; V51-F53 PolarHBondContact O-N 3.37Å
52E57.8Low54.4Low122 Ų122127.2 Ų127.257%0.5770%0.7SS**  trans-71.794.5170.3-75.1179.516600109Y50 T54Y50-E52 HydrophobicContact CD1-CG 3.98Å; Y50-E52 HydrophobicContact CE1-CG 3.3Å; E52-T54 PolarHBondContact O-N 3.1Å
53F52.4Low55.7Low182 Ų182123.1 Ų123.180%0.79868%0.681SS**  trans-72.377.2164.6-82.9-90000108.9V51 G55V51-F53 HydrophobicContact CB-CD2 4.27Å; V51-F53 HydrophobicContact CB-CE2 4.15Å; V51-F53 PolarHBondContact O-N 3.37Å; F53-G55 PolarHBondContact O-N 3.41Å
54T59Low56.7Low114 Ų114120.9 Ų120.970%0.69965%0.654SS**  trans-73.670.2164.947.20000108.9E52E52-T54 PolarHBondContact O-N 3.1Å
55G53.7Low58Low44 Ų44120.4 Ų120.445%0.45465%0.646SS.*  trans-62.5144.9167.300000109.3F53 D57 S58F53-G55 PolarHBondContact O-N 3.41Å; G55-D57 PolarHBondContact O-N 2.95Å; G55-S58 PolarHBondContact O-N 2.91Å; G55-S58 PolarHBondContact O-OG 2.95Å; G55-S58 VanDerWaalsContact O-OG 3.07Å
56R56Low58.8Low255 Ų255115.3 Ų115.396%0.96262%0.619SS**THydrogen-bonded Turntrans-51.7-11.6-174-103.4177.3-173.8167.52.1116.4
57D56.9Low59.7Low159 Ų159115.5 Ų115.585%0.8562%0.616SS**THydrogen-bonded Turntrans-123.814.9179.3-58.4-44.9000113.9G55 V59G55-D57 PolarHBondContact O-N 2.95Å; D57-V59 PolarHBondContact O-N 3.18Å
58S63.9Low60.5Low64 Ų64110.2 Ų110.245%0.44861%0.609SS.*  trans-82.7114.5177.666.70000111.1G55G55-S58 PolarHBondContact O-N 2.91Å; G55-S58 PolarHBondContact O-OG 2.95Å; G55-S58 VanDerWaalsContact O-OG 3.07Å
59V68.4Low61.5Low139 Ų139112 Ų11284%0.84261%0.611SS**PPolyproline II helixtrans-80.8120.9171.3-175.50000108.9D57 C61D57-V59 PolarHBondContact O-N 3.18Å; V59-C61 PolarHBondContact O-N 2.88Å
60T66.4Low62.5Low92 Ų92111 Ų11156%0.56460%0.599SS**PPolyproline II helixtrans-64.8128.4177.7-270000109.8P62T60-P62 WeakPolarHBondContact O-CD 3.34Å
61C61.7Low63.2Low58 Ų58107.5 Ų107.539%0.39260%0.596SS.*PPolyproline II helixtrans-62.2120.8179.3175.50000109.6V59 T63 C64 Q65V59-C61 PolarHBondContact O-N 2.88Å; C61-T63 PolarHBondContact O-N 3.38Å; C61-C64 VanDerWaalsContact CB-SG 3.56Å; C61-C64 PolarHBondContact O-N 3.15Å; C61-Q65 WeakPolarHBondContact O-CA 3.25Å; C61-Q65 PolarHBondContact O-N 3.25Å
62P67.1Low63.5Low113 Ų113114.2 Ų114.273%0.73461%0.61SS**THydrogen-bonded Turntrans-65.3-24.6-175.124.4-33000112.8T60T60-P62 WeakPolarHBondContact O-CD 3.34Å
63T67.4Low63.7Low85 Ų85111.7 Ų111.752%0.52162%0.617SS.*THydrogen-bonded Turntrans-80.1-36.6-176.5-44.50000113.1C61 L78C61-T63 PolarHBondContact O-N 3.38Å; T63-L78 HydrophobicContact CG2-CD2 3.62Å
64C67.5Low64Low27 Ų27108 Ų10818%0.18260%0.602CS.*THydrogen-bonded Turntrans-112.6-1.4179.5670000113.4C61 G66 T67C61-C64 VanDerWaalsContact CB-SG 3.56Å; C61-C64 PolarHBondContact O-N 3.15Å; C64-G66 PolarHBondContact O-N 3.44Å; C64-T67 WeakPolarHBondContact O-CB 3.34Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 PolarHBondContact O-OG1 3.25Å
65Q69.1Low63.9Low153 Ų153108.1 Ų108.172%0.71560%0.595SS**THydrogen-bonded Turntrans4927.9-178-60-178.85.500113.9C61 T67C61-Q65 WeakPolarHBondContact O-CA 3.25Å; C61-Q65 PolarHBondContact O-N 3.25Å; Q65-T67 VanDerWaalsContact C-N 3.32Å; Q65-T67 PolarHBondContact O-N 3.48Å
66G68.8Low64Low16 Ų16114 Ų11417%0.16562%0.616CS.*THydrogen-bonded Turntrans86.8-12-176.300000114.8Y50 C64 G68Y50-G66 PolarHBondContact OH-O 3.17Å; C64-G66 PolarHBondContact O-N 3.44Å; G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 2.74Å
67T70.2Confident64Low87 Ų87108.4 Ų108.453%0.53460%0.601SS.*SBendtrans-78.4-10.2-174.5670000115C64 Q65 R69C64-T67 WeakPolarHBondContact O-CB 3.34Å; C64-T67 PolarHBondContact O-N 3.02Å; C64-T67 PolarHBondContact O-OG1 3.25Å; Q65-T67 VanDerWaalsContact C-N 3.32Å; Q65-T67 PolarHBondContact O-N 3.48Å; T67-R69 PolarHBondContact O-N 3.46Å
68G65.9Low64.1Low65 Ų65105 Ų10567%0.6758%0.582SS**SBendtrans65.35.1-178.500000115.1G66G66-G68 VanDerWaalsContact C-N 3.31Å; G66-G68 PolarHBondContact O-N 2.74Å
69R65.8Low63.9Low208 Ų208107.1 Ų107.179%0.78559%0.592SS**  trans-119.4135.7179.4-64.9-176.8179.1175.80.5110T67T67-R69 PolarHBondContact O-N 3.46Å
70I66.9Low63.7Low90 Ų90104.7 Ų104.746%0.46259%0.587SS.*  trans-109.5127.2177.9-59.9170000107.7R72 L78I70-R72 PolarHBondContact O-N 3.03Å; I70-L78 HydrophobicContact CG2-CD1 4.28Å; I70-L78 HydrophobicContact CG2-CD2 4.15Å
71P66.6Low63.4Low87 Ų87107.7 Ų107.757%0.56560%0.599SS**  trans-59128.4177.9-20.830.8000111.6G73P71-G73 PolarHBondContact O-N 3.11Å
72R61.5Low63.4Low238 Ų238110.2 Ų110.290%0.89861%0.607SS**THydrogen-bonded Turntrans-76.3120.7176.8-63.6-140.7175.6-178.1-0.5109.4I70I70-R72 PolarHBondContact O-N 3.03Å
73G62.3Low62.9Low70 Ų70108.4 Ų108.472%0.72260%0.595SS**THydrogen-bonded Turntrans128.5-14-170.900000114.8P71P71-G73 PolarHBondContact O-N 3.11Å
74Q58.8Low62.3Low103 Ų103116.1 Ų116.148%0.48162%0.617SS.*  trans-114.926.7177.5-152171.61.400112.4N76 Q77Q74-N76 VanDerWaalsContact C-N 3.33Å; Q74-N76 PolarHBondContact O-N 3.37Å; Q74-Q77 HydrophobicContact CG-CB 4.07Å; Q74-Q77 PolarHBondContact O-N 3.32Å
75E57.6Low61.7Low118 Ų118119.9 Ų119.955%0.55164%0.643SS**G310 helixtrans-67.3-36.6-173.8-33.9-172.4-163.200111.5Q77 L78E75-Q77 PolarHBondContact O-N 2.87Å; E75-L78 WeakPolarHBondContact O-CB 3.28Å; E75-L78 PolarHBondContact O-N 3.03Å
76N54.4Low61.4Low168 Ų168115.1 Ų115.190%0.89862%0.623SS**G310 helixtrans-73.9-9.1-176.9-53.9-17.9000113.3Q74Q74-N76 VanDerWaalsContact C-N 3.33Å; Q74-N76 PolarHBondContact O-N 3.37Å
77Q55.9Low60.8Low137 Ų137121.9 Ų121.964%0.6465%0.65SS**G310 helixtrans-106.3-0.7179.6-155.1174.26.300112.3Q74 E75 V79Q74-Q77 HydrophobicContact CG-CB 4.07Å; Q74-Q77 PolarHBondContact O-N 3.32Å; E75-Q77 PolarHBondContact O-N 2.87Å; Q77-V79 PolarHBondContact O-N 3.43Å
78L59.3Low60.2Low86 Ų86128.8 Ų128.845%0.4567%0.666SS.*  trans-7588.4175.9-64.2165.4000109.3T63 I70 E75T63-L78 HydrophobicContact CG2-CD2 3.62Å; I70-L78 HydrophobicContact CG2-CD1 4.28Å; I70-L78 HydrophobicContact CG2-CD2 4.15Å; E75-L78 WeakPolarHBondContact O-CB 3.28Å; E75-L78 PolarHBondContact O-N 3.03Å
79V59.8Low59.7Low109 Ų109131.2 Ų131.266%0.66166%0.663SS**  trans-95.3119.7169.6-179.30000107.7Q77 L81Q77-V79 PolarHBondContact O-N 3.43Å; V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 HydrophobicContact CG1-CD2 4.2Å; V79-L81 PolarHBondContact O-N 3.18Å
80A64.4Low59.3Low89 Ų89129.8 Ų129.874%0.73666%0.658SS**  trans-66.197.7167.900000108.4I82A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.73Å
81L60.8Low59.2Low155 Ų155128.3 Ų128.381%0.81265%0.654SS**  trans-75.589.5171.4-66.3173.8000108V79 P83V79-L81 VanDerWaalsContact C-N 3.35Å; V79-L81 HydrophobicContact CG1-CD2 4.2Å; V79-L81 PolarHBondContact O-N 3.18Å; L81-P83 WeakPolarHBondContact O-CD 3.44Å
82I61.5Low59.1Low110 Ų110134.9 Ų134.956%0.56467%0.668SS**  trans-73.9114.2169-58.5171.9000106.4A80 Y84 D86 L89A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 2.73Å; I82-Y84 PolarHBondContact O-N 2.84Å; I82-D86 HydrophobicContact CG2-CB 4.43Å; I82-L89 HydrophobicContact CG2-CD1 4.37Å; I82-L89 HydrophobicContact CG2-CD2 4.12Å
83P56.6Low59.7Low75 Ų75132 Ų13249%0.48766%0.657SS.*  trans-61.3133.7-178.822.5-29.1000109.7L81 S85 D86L81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-S85 PolarHBondContact O-N 2.94Å; P83-D86 HydrophobicContact CG-CB 4.2Å; P83-D86 WeakPolarHBondContact O-CB 3.45Å; P83-D86 PolarHBondContact O-N 2.89Å
84Y54.1Low60.6Low248 Ų248132.4 Ų132.497%0.97365%0.645SS**THydrogen-bonded Turntrans-58.9-18.7179.5-157-92.1000112.7I82I82-Y84 PolarHBondContact O-N 2.84Å
85S56.1Low61.7Low105 Ų105134.7 Ų134.773%0.73465%0.654SS**THydrogen-bonded Turntrans-95.412.6176.651.80000114.4P83 Q87P83-S85 PolarHBondContact O-N 2.94Å; S85-Q87 PolarHBondContact O-N 2.86Å; S85-Q87 VanDerWaalsContact O-N 3.12Å
86D63Low63Low54 Ų54134.2 Ų134.229%0.28965%0.654SS.*  trans-60.5115.6177-167.7-21.5000110.9I82 P83 R88 L89 R90I82-D86 HydrophobicContact CG2-CB 4.43Å; P83-D86 HydrophobicContact CG-CB 4.2Å; P83-D86 WeakPolarHBondContact O-CB 3.45Å; P83-D86 PolarHBondContact O-N 2.89Å; D86-R88 PolarHBondContact O-N 2.83Å; D86-R88 WeakPolarHBondContact OD1-CB 3.31Å; D86-R88 PolarHBondContact OD1-N 3.15Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 HydrophobicContact CB-CD1 4.41Å; D86-L89 PolarHBondContact O-N 3.44Å; D86-R90 PolarHBondContact O-N 2.84Å
87Q55.5Low64.7Low157 Ų157133.5 Ų133.573%0.73464%0.64SS**THydrogen-bonded Turntrans-66-20-176.5-163.1135.2-2600112.7S85S85-Q87 PolarHBondContact O-N 2.86Å; S85-Q87 VanDerWaalsContact O-N 3.12Å
88R57.3Low66.4Low232 Ų232130.7 Ų130.788%0.87563%0.632SS**THydrogen-bonded Turntrans-74.8-27.8173.2-65.5-17675.2-171.53.3112.7D86 R90D86-R88 PolarHBondContact O-N 2.83Å; D86-R88 WeakPolarHBondContact OD1-CB 3.31Å; D86-R88 PolarHBondContact OD1-N 3.15Å; R88-R90 VanDerWaalsContact C-N 3.35Å
89L56.2Low67.9Low116 Ų116131.5 Ų131.561%0.60764%0.635SS**THydrogen-bonded Turntrans-84.3-9.4175.3-93.773.7000112.8I82 D86 P91I82-L89 HydrophobicContact CG2-CD1 4.37Å; I82-L89 HydrophobicContact CG2-CD2 4.12Å; D86-L89 HydrophobicContact CB-CB 4.5Å; D86-L89 HydrophobicContact CB-CD1 4.41Å; D86-L89 PolarHBondContact O-N 3.44Å; L89-P91 WeakPolarHBondContact O-CD 3.37Å; L89-P91 VanDerWaalsContact O-N 3.14Å
90R56.5Low69.6Low178 Ų178128.5 Ų128.567%0.67262%0.621SS**  trans-69.1109.7-179.4-165173.1-176.31791.6109.7D86 R88 R92D86-R90 PolarHBondContact O-N 2.84Å; R88-R90 VanDerWaalsContact C-N 3.35Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.03Å
91P64.5Low71.1Confident60 Ų60127.1 Ų127.139%0.3961%0.607SS.*  trans-82.475.8-172.528.6-22000109.4L89 R93 T94 K95L89-P91 WeakPolarHBondContact O-CD 3.37Å; L89-P91 VanDerWaalsContact O-N 3.14Å; P91-R93 PolarHBondContact O-N 2.66Å; P91-T94 VanDerWaalsContact CB-OG1 3.27Å; P91-T94 WeakPolarHBondContact CB-OG1 3.42Å; P91-K95 PolarHBondContact O-N 3.2Å
92R65.5Low72.8Confident225 Ų225123 Ų12385%0.84959%0.588SS**THydrogen-bonded Turntrans-65.6-30.5-178.4-166.3175.6-179.7174.90111.7R90R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.03Å
93R73.6Confident74.5Confident178 Ų178124 Ų12467%0.67259%0.588SS**THydrogen-bonded Turntrans-89.5-36.5178-61.9-68.8-174.9177.41112.8P91 K95 L96 Y97P91-R93 PolarHBondContact O-N 2.66Å; R93-K95 VanDerWaalsContact C-N 3.32Å; R93-K95 PolarHBondContact O-N 2.99Å; R93-L96 WeakPolarHBondContact O-CB 3.44Å; R93-L96 PolarHBondContact O-N 3.46Å; R93-Y97 HydrophobicContact CB-CD2 4.19Å; R93-Y97 HydrophobicContact CB-CE2 3.7Å; R93-Y97 WeakPolarHBondContact O-CD2 3.22Å; R93-Y97 PolarHBondContact O-N 2.85Å
94T80.9Confident76.4Confident78 Ų78124.4 Ų124.448%0.47959%0.589SS.*Hα-helixtrans-62.5-36.9-179.5-36.50000112.6P91 L96 Y97 V98P91-T94 VanDerWaalsContact CB-OG1 3.27Å; P91-T94 WeakPolarHBondContact CB-OG1 3.42Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.15Å; T94-Y97 PolarHBondContact O-N 3Å; T94-V98 HydrophobicContact CG2-CG2 4.32Å; T94-V98 WeakPolarHBondContact O-CB 3.49Å; T94-V98 VanDerWaalsContact O-CG2 3.26Å; T94-V98 WeakPolarHBondContact O-CG2 3.5Å; T94-V98 PolarHBondContact O-N 3.12Å
95K81.3Confident78.4Confident150 Ų150116.4 Ų116.465%0.65257%0.569SS**Hα-helixtrans-59.9-41.1173.3-68.7-171.2178.5-166.80112.4P91 R93 M99P91-K95 PolarHBondContact O-N 3.2Å; R93-K95 VanDerWaalsContact C-N 3.32Å; R93-K95 PolarHBondContact O-N 2.99Å; K95-M99 WeakPolarHBondContact O-CB 3.38Å; K95-M99 VanDerWaalsContact O-CG 3.27Å; K95-M99 WeakPolarHBondContact O-CG 3.35Å; K95-M99 PolarHBondContact O-N 3.04Å
96L85.9Confident80.4Confident109 Ų109116.5 Ų116.557%0.57156%0.56SS**Hα-helixtrans-67.5-43176.5-176.4119.8000111.3R93 T94 M99 A100R93-L96 WeakPolarHBondContact O-CB 3.44Å; R93-L96 PolarHBondContact O-N 3.46Å; T94-L96 VanDerWaalsContact C-N 3.32Å; T94-L96 PolarHBondContact O-N 3.15Å; L96-M99 PolarHBondContact O-N 3.4Å; L96-A100 WeakPolarHBondContact O-CB 3.05Å; L96-A100 PolarHBondContact O-N 2.88Å
97Y89Confident82Confident153 Ų153119 Ų11960%0.657%0.573SS**Hα-helixtrans-63.1-43.1177.1-66.9-57000112.7R93 T94 A100 S101R93-Y97 HydrophobicContact CB-CD2 4.19Å; R93-Y97 HydrophobicContact CB-CE2 3.7Å; R93-Y97 WeakPolarHBondContact O-CD2 3.22Å; R93-Y97 PolarHBondContact O-N 2.85Å; T94-Y97 PolarHBondContact O-N 3Å; Y97-A100 PolarHBondContact O-N 3.02Å; Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.12Å; Y97-S101 PolarHBondContact O-OG 3.45Å
98V91.8Very high84Confident78 Ų78116.5 Ų116.547%0.47356%0.564SS.*Hα-helixtrans-66.2-42.4177.7173.80000111.2T94 S101 V102T94-V98 HydrophobicContact CG2-CG2 4.32Å; T94-V98 WeakPolarHBondContact O-CB 3.49Å; T94-V98 VanDerWaalsContact O-CG2 3.26Å; T94-V98 WeakPolarHBondContact O-CG2 3.5Å; T94-V98 PolarHBondContact O-N 3.12Å; V98-S101 WeakPolarHBondContact CA-OG 3.02Å; V98-S101 PolarHBondContact O-N 2.7Å; V98-S101 PolarHBondContact O-OG 2.79Å; V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.36Å; V98-V102 PolarHBondContact O-N 3.17Å
99M92.3Very high85.9Confident103 Ų103108.4 Ų108.451%0.50754%0.543SS..Hα-helixtrans-64.7-44.7175.2-71.2-57.9-61.600111.2K95 L96 S101 V102 F103K95-M99 WeakPolarHBondContact O-CB 3.38Å; K95-M99 VanDerWaalsContact O-CG 3.27Å; K95-M99 WeakPolarHBondContact O-CG 3.35Å; K95-M99 PolarHBondContact O-N 3.04Å; L96-M99 PolarHBondContact O-N 3.4Å; M99-S101 VanDerWaalsContact C-N 3.33Å; M99-S101 PolarHBondContact O-N 3.37Å; M99-V102 PolarHBondContact O-N 3.22Å; M99-F103 HydrophobicContact CE-CE2 3.76Å; M99-F103 HydrophobicContact CE-CZ 4.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.44Å; M99-F103 PolarHBondContact O-N 2.83Å
100A94.4Very high87.8Confident45 Ų45104.8 Ų104.837%0.37253%0.533SS..Hα-helixtrans-59.7-42.8176.500000111.6L96 Y97 V102 F103 V104L96-A100 WeakPolarHBondContact O-CB 3.05Å; L96-A100 PolarHBondContact O-N 2.88Å; Y97-A100 PolarHBondContact O-N 3.02Å; A100-V102 PolarHBondContact O-N 2.85Å; A100-F103 PolarHBondContact O-N 2.88Å; A100-V104 VanDerWaalsContact O-CG2 3.28Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 2.88Å
101S95.3Very high89.6Confident61 Ų6199.9 Ų99.943%0.42752%0.52SS..Hα-helixtrans-63.6-42.4176.762.90000111.8Y97 V98 M99 F103 V104 C105Y97-S101 WeakPolarHBondContact O-CB 3.44Å; Y97-S101 PolarHBondContact O-N 3.12Å; Y97-S101 PolarHBondContact O-OG 3.45Å; V98-S101 WeakPolarHBondContact CA-OG 3.02Å; V98-S101 PolarHBondContact O-N 2.7Å; V98-S101 PolarHBondContact O-OG 2.79Å; M99-S101 VanDerWaalsContact C-N 3.33Å; M99-S101 PolarHBondContact O-N 3.37Å; S101-F103 PolarHBondContact O-N 2.8Å; S101-V104 PolarHBondContact O-N 2.84Å; S101-C105 WeakPolarHBondContact O-CB 3.45Å; S101-C105 PolarHBondContact O-N 3.04Å; S101-C105 PolarHBondContact O-SG 2.91Å
102V96.8Very high91Very high69 Ų6999.3 Ų99.342%0.41852%0.52SS..Hα-helixtrans-60.5-46.2175.7171.30000110.9V98 M99 A100 V104 C105 L106V98-V102 VanDerWaalsContact O-CG2 3.29Å; V98-V102 WeakPolarHBondContact O-CG2 3.36Å; V98-V102 PolarHBondContact O-N 3.17Å; M99-V102 PolarHBondContact O-N 3.22Å; A100-V102 PolarHBondContact O-N 2.85Å; V102-V104 PolarHBondContact O-N 2.92Å; V102-C105 PolarHBondContact O-N 2.92Å; V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.45Å
103F96.9Very high92.4Very high130 Ų13093 Ų9357%0.5751%0.506SS*.Hα-helixtrans-62.8-42.8177.6-79.6-66.3000112.8M99 A100 S101 L106 L107M99-F103 HydrophobicContact CE-CE2 3.76Å; M99-F103 HydrophobicContact CE-CZ 4.29Å; M99-F103 WeakPolarHBondContact O-CD2 3.44Å; M99-F103 PolarHBondContact O-N 2.83Å; A100-F103 PolarHBondContact O-N 2.88Å; S101-F103 PolarHBondContact O-N 2.8Å; F103-L106 PolarHBondContact O-N 3.24Å; F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.4Å; F103-L107 PolarHBondContact O-N 3.12Å
104V97.1Very high93.3Very high83 Ų8389.2 Ų89.250%0.50350%0.495SS..Hα-helixtrans-62.9-43.8176.6171.20000110.6A100 S101 V102 L107 L108A100-V104 VanDerWaalsContact O-CG2 3.28Å; A100-V104 WeakPolarHBondContact O-CG2 3.27Å; A100-V104 PolarHBondContact O-N 2.88Å; S101-V104 PolarHBondContact O-N 2.84Å; V102-V104 PolarHBondContact O-N 2.92Å; V104-L107 PolarHBondContact O-N 3.28Å; V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.84Å
105C96.9Very high93.9Very high81 Ų8189.9 Ų89.955%0.54749%0.492SS..Hα-helixtrans-61.7-44.6176.2-70.80000112.2S101 V102 L107 L108 S109S101-C105 WeakPolarHBondContact O-CB 3.45Å; S101-C105 PolarHBondContact O-N 3.04Å; S101-C105 PolarHBondContact O-SG 2.91Å; V102-C105 PolarHBondContact O-N 2.92Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.27Å; C105-L108 PolarHBondContact O-N 3.14Å; C105-S109 WeakPolarHBondContact O-CB 3.18Å; C105-S109 PolarHBondContact O-N 3.4Å; C105-S109 PolarHBondContact O-OG 2.95Å
106L97.3Very high94.3Very high106 Ų10687.5 Ų87.556%0.55549%0.485SS*.Hα-helixtrans-63.9-37.5176.5-71.9176.7000112.3V102 F103 S109 G110V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.43Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 3.45Å; F103-L106 PolarHBondContact O-N 3.24Å; L106-S109 WeakPolarHBondContact CA-OG 3.43Å; L106-S109 PolarHBondContact O-OG 2.91Å; L106-S109 VanDerWaalsContact O-OG 3.06Å; L106-G110 PolarHBondContact O-N 3.46Å
107L97.1Very high94.6Very high108 Ų10888.9 Ų88.957%0.56549%0.487SS*.Hα-helixtrans-67.2-46.3176.7-176.7141.9000110.7F103 V104 C105 G110 L111F103-L107 VanDerWaalsContact O-CB 3.32Å; F103-L107 WeakPolarHBondContact O-CB 3.4Å; F103-L107 PolarHBondContact O-N 3.12Å; V104-L107 PolarHBondContact O-N 3.28Å; C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.27Å; L107-G110 PolarHBondContact O-N 3.04Å; L107-L111 HydrophobicContact CD2-CD1 3.62Å; L107-L111 HydrophobicContact CD2-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.37Å
108L96.9Very high94.6Very high104 Ų10484.4 Ų84.455%0.54548%0.477SS..Hα-helixtrans-64-41.9177.9-69.9174.5000112.1V104 C105 L111 A112V104-L108 HydrophobicContact CG1-CD1 3.96Å; V104-L108 HydrophobicContact CG1-CG 4.37Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.31Å; V104-L108 WeakPolarHBondContact O-CG 3.47Å; V104-L108 PolarHBondContact O-N 2.84Å; C105-L108 PolarHBondContact O-N 3.14Å; L108-L111 PolarHBondContact O-N 3Å; L108-A112 WeakPolarHBondContact O-CB 3.26Å; L108-A112 PolarHBondContact O-N 2.88Å
109S96.8Very high94.6Very high62 Ų6284.8 Ų84.843%0.43447%0.47SS..Hα-helixtrans-67.5-40.9176.165.40000111.9C105 L106 L111 A112 V113C105-S109 WeakPolarHBondContact O-CB 3.18Å; C105-S109 PolarHBondContact O-N 3.4Å; C105-S109 PolarHBondContact O-OG 2.95Å; L106-S109 WeakPolarHBondContact CA-OG 3.43Å; L106-S109 PolarHBondContact O-OG 2.91Å; L106-S109 VanDerWaalsContact O-OG 3.06Å; S109-L111 PolarHBondContact O-N 3.19Å; S109-A112 PolarHBondContact O-N 2.9Å; S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 2.93Å
110G96Very high94.4Very high39 Ų3983.1 Ų83.140%0.40247%0.469SS..Hα-helixtrans-60.7-43.1174.400000112.5L106 L107 V113 F114L106-G110 PolarHBondContact O-N 3.46Å; L107-G110 PolarHBondContact O-N 3.04Å; G110-V113 PolarHBondContact O-N 2.78Å; G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.62Å
111L95.7Very high94.4Very high76 Ų7681.3 Ų81.340%0.39845%0.453SS..Hα-helixtrans-63.8-44.4174.6-72176.1000111.6L107 L108 S109 V113 F114 F115L107-L111 HydrophobicContact CD2-CD1 3.62Å; L107-L111 HydrophobicContact CD2-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.42Å; L107-L111 WeakPolarHBondContact O-CB 3.33Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.47Å; L107-L111 PolarHBondContact O-N 3.37Å; L108-L111 PolarHBondContact O-N 3Å; S109-L111 PolarHBondContact O-N 3.19Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.86Å; L111-F114 PolarHBondContact O-N 3.17Å; L111-F115 HydrophobicContact CB-CD2 4.33Å; L111-F115 HydrophobicContact CB-CE2 4.26Å; L111-F115 HydrophobicContact CD2-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.16Å; L111-F115 PolarHBondContact O-N 2.8Å
112A94.4Very high94.3Very high47 Ų4781.3 Ų81.339%0.38845%0.448SS..Hα-helixtrans-58.6-45.5177.600000111.4L108 S109 L116L108-A112 WeakPolarHBondContact O-CB 3.26Å; L108-A112 PolarHBondContact O-N 2.88Å; S109-A112 PolarHBondContact O-N 2.9Å; A112-L116 VanDerWaalsContact O-CB 3.23Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.34Å; A112-L116 PolarHBondContact O-N 2.83Å
113V93.4Very high94.2Very high92 Ų9278.5 Ų78.556%0.55843%0.431SS*.Hα-helixtrans-62.9-47.9174.5175.30000110.5S109 G110 L111 F115 L116 F117S109-V113 WeakPolarHBondContact O-CG2 3.35Å; S109-V113 PolarHBondContact O-N 2.93Å; G110-V113 PolarHBondContact O-N 2.78Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 2.86Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.01Å; V113-L116 PolarHBondContact O-N 2.87Å; V113-F117 HydrophobicContact CG1-CB 4.41Å; V113-F117 WeakPolarHBondContact O-CA 3.25Å; V113-F117 WeakPolarHBondContact O-CB 3.48Å; V113-F117 PolarHBondContact O-N 2.84Å
114F93.4Very high94.1Very high99 Ų9978.2 Ų78.243%0.43443%0.429SS..Hα-helixtrans-58.6-38.9-178.8177.2-96.1000113.9G110 L111 R119 Y157G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.62Å; L111-F114 PolarHBondContact O-N 3.17Å; F114-R119 VanDerWaalsContact CE2-NH2 3.33Å; F114-Y157 HydrophobicContact CD1-CE2 4.24Å; F114-Y157 AromaticContact CE1-CE2 3.64Å; F114-Y157 HydrophobicContact CE1-CE2 3.64Å; F114-Y157 AromaticContact CE1-CZ 3.8Å; F114-Y157 HydrophobicContact CZ-CE2 4.05Å
115F92.7Very high93.8Very high93 Ų9375 Ų7541%0.40841%0.408SS..Hα-helixtrans-82-33.5-179.7-72-62.2000113.8L111 V113 Y157L111-F115 HydrophobicContact CB-CD2 4.33Å; L111-F115 HydrophobicContact CB-CE2 4.26Å; L111-F115 HydrophobicContact CD2-CE2 4.08Å; L111-F115 WeakPolarHBondContact O-CD2 3.16Å; L111-F115 PolarHBondContact O-N 2.8Å; V113-F115 VanDerWaalsContact C-N 3.31Å; V113-F115 PolarHBondContact O-N 3.01Å; F115-Y157 HydrophobicContact CD1-CD1 4.17Å; F115-Y157 AromaticContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CE2 4.25Å; F115-Y157 AromaticContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CE1-CD1 4.28Å; F115-Y157 HydrophobicContact CE1-CD2 4.46Å; F115-Y157 HydrophobicContact CE1-CE1 4.46Å; F115-Y157 HydrophobicContact CE1-CG 4.28Å
116L90.6Very high93.5Very high99 Ų9973.6 Ų73.652%0.51840%0.395SS..Hα-helixtrans-95.8-16.5-175.8-61.7175.6000113.6A112 V113 F237A112-L116 VanDerWaalsContact O-CB 3.23Å; A112-L116 WeakPolarHBondContact O-CB 3.42Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.34Å; A112-L116 PolarHBondContact O-N 2.83Å; V113-L116 PolarHBondContact O-N 2.87Å; L116-F237 HydrophobicContact CD2-CE2 4.28Å; L116-F237 HydrophobicContact CD2-CZ 3.94Å
117F90.9Very high93.1Very high138 Ų13868.9 Ų68.961%0.60537%0.372SS*.SBendtrans-66.2125.5177.9-165.6-94.9000109.5V113 R119V113-F117 HydrophobicContact CG1-CB 4.41Å; V113-F117 WeakPolarHBondContact O-CA 3.25Å; V113-F117 WeakPolarHBondContact O-CB 3.48Å; V113-F117 PolarHBondContact O-N 2.84Å; F117-R119 PolarHBondContact O-N 2.79Å
118P90.1Very high92.8Very high60 Ų6063.9 Ų63.939%0.3935%0.345SS..PPolyproline II helixtrans-64.9127.1-17326-33.9000110.4Y158 Y236P118-Y158 WeakPolarHBondContact CA-OH 3.48Å; P118-Y236 HydrophobicContact CB-CE2 4.09Å
119R91.5Very high92.5Very high85 Ų8563.8 Ų63.832%0.32134%0.341SS..PPolyproline II helixtrans-98.8159.3168.7-67.5-176.4173-172.81.5109.6F114 F117 N155 N156 Y157F114-R119 VanDerWaalsContact CE2-NH2 3.33Å; F117-R119 PolarHBondContact O-N 2.79Å; R119-N155 HydrophobicContact CB-CB 4.43Å; R119-N155 WeakPolarHBondContact CD-O 3.49Å; R119-N156 PolarHBondContact N-OD1 3.34Å; R119-N156 PolarHBondContact O-ND2 2.88Å; R119-N156 PolarHBondContact O-OD1 2.74Å; R119-Y157 PolarHBondContact NH1-OH 3.49Å; R119-Y157 VanDerWaalsContact NH1-OH 3.08Å; R119-Y157 VanDerWaalsContact NH2-CE2 3.27Å; R119-Y157 PolarHBondContact NH2-OH 3.46Å; R119-Y157 VanDerWaalsContact NH2-OH 3.11Å
120S89Confident92.3Very high69 Ų6961.9 Ų61.948%0.48333%0.328SS..PPolyproline II helixtrans-63142.6-179.558.60000112.2N155S120-N155 WeakPolarHBondContact O-CB 3.32Å; S120-N155 PolarHBondContact O-ND2 2.85Å
121I93.4Very high92.2Very high7 Ų760 Ų604%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-98.9125.1168-61.4161.7000106.7I152 V160 T234 Y236 I243I121-I152 HydrophobicContact CG2-CG2 3.94Å; I121-V160 HydrophobicContact CD1-CG1 3.88Å; I121-V160 HydrophobicContact CD1-CG2 4.29Å; I121-T234 HydrophobicContact CD1-CG2 4.33Å; I121-T234 WeakPolarHBondContact CD1-OG1 3.37Å; I121-Y236 HydrophobicContact CD1-CD1 4.36Å; I121-Y236 HydrophobicContact CD1-CE1 4.21Å; I121-I243 HydrophobicContact CB-CD1 3.88Å; I121-I243 HydrophobicContact CG2-CD1 4.34Å; I121-I243 WeakPolarHBondContact O-CD1 3.45Å
122D93.9Very high92.1Very high60 Ų6061.7 Ų61.732%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-99121.6-177.5-63.8-45.4000110.4I152 T153 N155D122-I152 WeakPolarHBondContact O-CA 3.49Å; D122-T153 PolarHBondContact N-O 2.82Å; D122-T153 PolarHBondContact O-N 2.74Å; D122-N155 PolarHBondContact OD2-ND2 2.87Å
123V94.5Very high92.1Very high10 Ų1059.6 Ų59.66%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-106.8116.7173.5-179.10000108.8I152 V232 I243V123-I152 HydrophobicContact CG2-CG2 4.36Å; V123-V232 HydrophobicContact CG1-CG2 3.76Å; V123-V232 HydrophobicContact CG2-CB 4.1Å; V123-V232 HydrophobicContact CG2-CG2 3.93Å; V123-I243 HydrophobicContact CB-CG2 4.17Å; V123-I243 HydrophobicContact CG2-CB 4.17Å; V123-I243 HydrophobicContact CG2-CG2 3.99Å
124K93.7Very high92.2Very high125 Ų12557.5 Ų57.554%0.54328%0.282SS..EExtended strand (participates in β ladder)trans-117.9126.1178.9-65.4-179.3-177.6174.40110.5I126 N151K124-I126 PolarHBondContact O-N 2.93Å; K124-N151 HydrophobicContact CB-CB 4.34Å; K124-N151 PolarHBondContact N-O 3.5Å; K124-N151 PolarHBondContact O-N 3Å
125Y92.2Very high92.2Very high14 Ų1455.7 Ų55.76%0.05527%0.273CS..EExtended strand (participates in β ladder)trans-79.7115.8172.3179.5-89000110V128 N148 L150 Y197 M228 R247Y125-V128 PolarHBondContact OH-N 2.61Å; Y125-N148 HydrophobicContact CE2-CB 3.92Å; Y125-N148 PolarHBondContact OH-OD1 2.77Å; Y125-L150 HydrophobicContact CD2-CD2 3.89Å; Y125-Y197 WeakPolarHBondContact CE2-OH 3.45Å; Y125-M228 HydrophobicContact CE2-CB 4.23Å; Y125-M228 HydrophobicContact CE2-CG 4.48Å; Y125-R247 HydrophobicContact CD1-CB 4.15Å; Y125-R247 HydrophobicContact CD1-CG 4.33Å; Y125-R247 HydrophobicContact CE1-CB 4.47Å; Y125-R247 PolarHBondContact O-NH1 2.87Å
126I90.3Very high92.2Very high52 Ų5253.1 Ų53.127%0.26726%0.263SS..EExtended strand (participates in β ladder)trans-79.9-46.1-177.7-60.9169.3000110.5K124 T149 N151 Q194K124-I126 PolarHBondContact O-N 2.93Å; I126-T149 HydrophobicContact CB-CG2 4.48Å; I126-T149 WeakPolarHBondContact CB-O 3.14Å; I126-T149 HydrophobicContact CD1-CG2 3.62Å; I126-T149 PolarHBondContact N-O 2.88Å; I126-N151 HydrophobicContact CD1-CB 3.65Å; I126-N151 HydrophobicContact CG1-CB 3.86Å; I126-Q194 HydrophobicContact CD1-CG 3.98Å
127G87.9Confident92.2Very high7 Ų753.5 Ų53.57%0.07227%0.269CS..EExtended strand (participates in β ladder)trans158.2179.6-176.300000113.9N148 T149G127-N148 WeakPolarHBondContact O-CA 3.39Å; G127-T149 PolarHBondContact O-N 3.17Å
128V90.9Very high92.2Very high3 Ų355.8 Ų55.82%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-75.4125.7165.2170.90000107.8Y125 I146 N148 Q249 V251 Q260Y125-V128 PolarHBondContact OH-N 2.61Å; V128-I146 HydrophobicContact CG1-CG2 4.11Å; V128-I146 HydrophobicContact CG2-CG2 3.84Å; V128-N148 WeakPolarHBondContact CG2-OD1 3.37Å; V128-Q249 HydrophobicContact CB-CG 4.41Å; V128-Q249 HydrophobicContact CG2-CG 3.58Å; V128-V251 HydrophobicContact CG2-CG2 4.19Å; V128-Q260 WeakPolarHBondContact O-CB 3.34Å
129K91.1Very high92.2Very high103 Ų10359.8 Ų59.845%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-83.3-43.6172.7-178.8170.9178.7169.70110.7T147 D196 Q260K129-T147 HydrophobicContact CB-CG2 4.4Å; K129-T147 PolarHBondContact N-O 2.92Å; K129-D196 WeakPolarHBondContact CD-OD2 3.46Å; K129-D196 IonicContact NZ-OD2 2.87Å; K129-D196 PolarHBondContact NZ-OD2 3.48Å; K129-Q260 PolarHBondContact O-N 3.37Å
130S92.9Very high92.3Very high22 Ų2261.5 Ų61.515%0.15430%0.299CS..EExtended strand (participates in β ladder)trans-157.1149.4175.661.50000112.1T147 T258S130-T147 PolarHBondContact N-O 3.24Å; S130-T147 PolarHBondContact O-N 2.79Å; S130-T147 WeakPolarHBondContact OG-CB 3.35Å; S130-T147 PolarHBondContact OG-OG1 2.81Å; S130-T258 CarbonylContact C-O 3.6Å; S130-T258 WeakPolarHBondContact CA-O 3.45Å
131A93.6Very high92.5Very high0 Ų058.7 Ų58.70%028%0.28CS..EExtended strand (participates in β ladder)trans-123.5127.2166.400000109.6N145 I146 V251 T257 T258A131-N145 WeakPolarHBondContact CA-O 3.2Å; A131-I146 HydrophobicContact CB-CG1 4.48Å; A131-V251 HydrophobicContact CB-CG1 3.56Å; A131-T257 WeakPolarHBondContact O-CA 3.32Å; A131-T258 PolarHBondContact N-O 3.24Å; A131-T258 PolarHBondContact O-N 3.29Å
132Y94.4Very high92.6Very high111 Ų11158.4 Ų58.444%0.43528%0.278SS..EExtended strand (participates in β ladder)trans-104.9133.7172.7176.8-92.5000109.6L144 N145 N256Y132-L144 CarbonylContact O-C 3.49Å; Y132-L144 VanDerWaalsContact O-CA 3.24Å; Y132-L144 WeakPolarHBondContact O-CA 3.47Å; Y132-N145 PolarHBondContact N-O 2.85Å; Y132-N145 PolarHBondContact O-N 2.82Å; Y132-N256 CarbonylContact C-O 3.52Å; Y132-N256 VanDerWaalsContact CA-O 3.32Å; Y132-N256 WeakPolarHBondContact CA-O 3.41Å; Y132-N256 WeakPolarHBondContact CD2-O 3.49Å
133V94.4Very high92.6Very high2 Ų259.8 Ų59.81%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-122135.7-175-169.10000110.6Y135 I142 Y143 L144 C253 R255 N256V133-Y135 HydrophobicContact CG1-CD1 4.49Å; V133-Y135 HydrophobicContact CG1-CE1 3.84Å; V133-Y135 HydrophobicContact CG1-CE2 4.22Å; V133-I142 HydrophobicContact CG1-CG2 3.81Å; V133-Y143 WeakPolarHBondContact CA-O 3.48Å; V133-L144 HydrophobicContact CG1-CG 4.44Å; V133-L144 HydrophobicContact CG2-CD2 3.97Å; V133-L144 HydrophobicContact CG2-CG 4.37Å; V133-C253 WeakPolarHBondContact CG1-O 3.48Å; V133-R255 WeakPolarHBondContact CG2-O 3.19Å; V133-N256 PolarHBondContact N-O 2.72Å
134S94.3Very high92.6Very high49 Ų4959.3 Ų59.334%0.34328%0.277SS..EExtended strand (participates in β ladder)trans-137.4155.4172-175.30000110.2Y143S134-Y143 PolarHBondContact N-O 2.79Å; S134-Y143 PolarHBondContact O-N 2.81Å
135Y93.3Very high92.7Very high61 Ų6156.6 Ų56.624%0.23927%0.268CS..EExtended strand (participates in β ladder)trans-128141.7-173.1-52.5-80.4000111.4V133 I142 Y211 C214 T215 C253 G254V133-Y135 HydrophobicContact CG1-CD1 4.49Å; V133-Y135 HydrophobicContact CG1-CE1 3.84Å; V133-Y135 HydrophobicContact CG1-CE2 4.22Å; Y135-I142 HydrophobicContact CD1-CG1 4.13Å; Y135-I142 HydrophobicContact CD1-CG2 4.26Å; Y135-I142 HydrophobicContact CE1-CG1 4.35Å; Y135-I142 HydrophobicContact CE1-CG2 4.2Å; Y135-Y211 HydrophobicContact CD1-CD2 4.44Å; Y135-Y211 HydrophobicContact CD1-CE2 4.35Å; Y135-C214 HydrophobicContact CE1-CB 4.11Å; Y135-T215 HydrophobicContact CD1-CG2 3.97Å; Y135-T215 HydrophobicContact CE1-CG2 3.91Å; Y135-T215 HydrophobicContact CG-CG2 4.42Å; Y135-C253 PolarHBondContact OH-O 3.31Å; Y135-G254 VanDerWaalsContact OH-C 3.25Å; Y135-G254 WeakPolarHBondContact OH-CA 3.32Å; Y135-G254 PolarHBondContact OH-O 2.83Å
136D93.5Very high92.8Very high39 Ų3955.9 Ų55.921%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-110.2106.9164.1-177.1-17.3000109Q138 K139 R140 T141 Y143D136-Q138 VanDerWaalsContact C-N 3.31Å; D136-Q138 PolarHBondContact O-N 2.87Å; D136-Q138 PolarHBondContact OD1-N 2.9Å; D136-K139 HydrophobicContact CB-CB 4.49Å; D136-K139 PolarHBondContact OD1-N 2.83Å; D136-K139 WeakPolarHBondContact OD2-CD 3.47Å; D136-R140 VanDerWaalsContact O-CA 3.32Å; D136-R140 WeakPolarHBondContact O-CA 3.22Å; D136-R140 PolarHBondContact O-N 2.86Å; D136-T141 PolarHBondContact N-O 2.91Å; D136-T141 PolarHBondContact O-N 2.89Å; D136-T141 VanDerWaalsContact O-N 3.12Å; D136-Y143 HydrophobicContact CB-CE2 4.05Å
137V90.9Very high93Very high106 Ų10654.7 Ų54.764%0.64226%0.26SS*.THydrogen-bonded Turntrans-65.8-34-177.4-1740000111.7
138Q90.7Very high93.3Very high186 Ų18654.3 Ų54.387%0.86926%0.257SS*.THydrogen-bonded Turntrans-73.3-39.2-175.5-61.5-172.91000111.1D136D136-Q138 VanDerWaalsContact C-N 3.31Å; D136-Q138 PolarHBondContact O-N 2.87Å; D136-Q138 PolarHBondContact OD1-N 2.9Å
139K90.6Very high93.5Very high144 Ų14454.8 Ų54.863%0.62626%0.26SS*.THydrogen-bonded Turntrans-94.8-6.2-178.5-61.8-178-172.6167.90113.8D136 T141D136-K139 HydrophobicContact CB-CB 4.49Å; D136-K139 PolarHBondContact OD1-N 2.83Å; D136-K139 WeakPolarHBondContact OD2-CD 3.47Å; K139-T141 WeakPolarHBondContact CB-OG1 3.11Å; K139-T141 PolarHBondContact O-N 2.84Å
140R92.5Very high93.6Very high121 Ų12149.9 Ų49.946%0.45724%0.238SC..THydrogen-bonded Turntrans51.545.2-171.1-62-178169.6-131.9-4.4111.6D136 Y211 D212D136-R140 VanDerWaalsContact O-CA 3.32Å; D136-R140 WeakPolarHBondContact O-CA 3.22Å; D136-R140 PolarHBondContact O-N 2.86Å; R140-Y211 HydrophobicContact CB-CD1 4.18Å; R140-Y211 HydrophobicContact CB-CD2 4.36Å; R140-Y211 HydrophobicContact CB-CG 3.95Å; R140-Y211 HydrophobicContact CG-CD1 4.17Å; R140-Y211 HydrophobicContact CG-CG 4.44Å; R140-D212 IonicContact CZ-OD1 3.03Å; R140-D212 IonicContact NH1-OD1 2.61Å; R140-D212 PolarHBondContact NH1-OD1 3.48Å; R140-D212 IonicContact NH1-OD2 3.78Å; R140-D212 PolarHBondContact NH1-OD2 3.3Å
141T93.9Very high93.7Very high11 Ų1150 Ų507%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-107.7138.8-177.5-59.70000110.1D136 K139 Y143 I202 A204D136-T141 PolarHBondContact N-O 2.91Å; D136-T141 PolarHBondContact O-N 2.89Å; D136-T141 VanDerWaalsContact O-N 3.12Å; K139-T141 WeakPolarHBondContact CB-OG1 3.11Å; K139-T141 PolarHBondContact O-N 2.84Å; T141-Y143 HydrophobicContact CG2-CD2 4.34Å; T141-Y143 HydrophobicContact CG2-CE1 4.17Å; T141-Y143 HydrophobicContact CG2-CE2 3.83Å; T141-I202 HydrophobicContact CG2-CG2 3.6Å; T141-A204 HydrophobicContact CG2-CB 4.03Å
142I94.4Very high93.8Very high1 Ų150 Ų501%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-107.1129.6172-51.8157.1000108.6V133 Y135 L144 I202 I203 M210 Y211 C214V133-I142 HydrophobicContact CG1-CG2 3.81Å; Y135-I142 HydrophobicContact CD1-CG1 4.13Å; Y135-I142 HydrophobicContact CD1-CG2 4.26Å; Y135-I142 HydrophobicContact CE1-CG1 4.35Å; Y135-I142 HydrophobicContact CE1-CG2 4.2Å; I142-L144 HydrophobicContact CG2-CD1 3.79Å; I142-L144 HydrophobicContact CG2-CG 3.95Å; I142-I202 WeakPolarHBondContact O-CA 3.24Å; I142-I203 HydrophobicContact CB-CB 4.28Å; I142-I203 HydrophobicContact CD1-CB 4.43Å; I142-I203 PolarHBondContact N-O 2.86Å; I142-I203 PolarHBondContact O-N 3.4Å; I142-M210 HydrophobicContact CD1-CB 3.95Å; I142-M210 HydrophobicContact CD1-CG 4.24Å; I142-Y211 HydrophobicContact CG1-CD2 4.35Å; I142-C214 HydrophobicContact CD1-CB 3.99Å; I142-C214 WeakPolarHBondContact CD1-SG 3.1Å
143Y94.9Very high93.8Very high88 Ų8846 Ų4635%0.34522%0.224SC..EExtended strand (participates in β ladder)trans-106.2120171.2-62.8-81.8000108.6V133 S134 D136 T141 I202V133-Y143 WeakPolarHBondContact CA-O 3.48Å; S134-Y143 PolarHBondContact N-O 2.79Å; S134-Y143 PolarHBondContact O-N 2.81Å; D136-Y143 HydrophobicContact CB-CE2 4.05Å; T141-Y143 HydrophobicContact CG2-CD2 4.34Å; T141-Y143 HydrophobicContact CG2-CE1 4.17Å; T141-Y143 HydrophobicContact CG2-CE2 3.83Å; Y143-I202 HydrophobicContact CD1-CD1 4.26Å; Y143-I202 HydrophobicContact CD1-CG1 3.87Å; Y143-I202 HydrophobicContact CD1-CG2 4.29Å; Y143-I202 HydrophobicContact CE1-CD1 3.97Å; Y143-I202 HydrophobicContact CE1-CG1 4.03Å; Y143-I202 HydrophobicContact CE1-CG2 4.02Å
144L94.6Very high93.9Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-118.5129.5170.8-38.891.3000111.5Y132 V133 I142 I146 T201 I203 I224 V251 C253Y132-L144 CarbonylContact O-C 3.49Å; Y132-L144 VanDerWaalsContact O-CA 3.24Å; Y132-L144 WeakPolarHBondContact O-CA 3.47Å; V133-L144 HydrophobicContact CG1-CG 4.44Å; V133-L144 HydrophobicContact CG2-CD2 3.97Å; V133-L144 HydrophobicContact CG2-CG 4.37Å; I142-L144 HydrophobicContact CG2-CD1 3.79Å; I142-L144 HydrophobicContact CG2-CG 3.95Å; L144-I146 HydrophobicContact CB-CD1 4.48Å; L144-I146 HydrophobicContact CB-CG1 4.09Å; L144-T201 VanDerWaalsContact CB-OG1 3.26Å; L144-T201 WeakPolarHBondContact CB-OG1 3.48Å; L144-T201 PolarHBondContact N-O 2.88Å; L144-T201 WeakPolarHBondContact O-CA 3.48Å; L144-T201 PolarHBondContact O-N 3.46Å; L144-T201 PolarHBondContact O-OG1 3.37Å; L144-I203 HydrophobicContact CD1-CD1 3.76Å; L144-I203 HydrophobicContact CD1-CG1 4.02Å; L144-I224 HydrophobicContact CD2-CD1 4.41Å; L144-V251 HydrophobicContact CD2-CG1 4.1Å; L144-C253 HydrophobicContact CD2-CB 4.03Å
145N95.6Very high93.9Very high68 Ų6845.9 Ų45.936%0.36422%0.22SC..EExtended strand (participates in β ladder)trans-103.3105168.8-70.7-20.4000108.3A131 Y132 T198A131-N145 WeakPolarHBondContact CA-O 3.2Å; Y132-N145 PolarHBondContact N-O 2.85Å; Y132-N145 PolarHBondContact O-N 2.82Å; N145-T198 HydrophobicContact CB-CG2 4.05Å
146I94.9Very high93.9Very high0 Ų043 Ų430%021%0.209CC..EExtended strand (participates in β ladder)trans-103110.1-173.7-50.7172.3000108.4V128 A131 L144 N148 V169 T198 V199 T201 L226 M228 V251V128-I146 HydrophobicContact CG1-CG2 4.11Å; V128-I146 HydrophobicContact CG2-CG2 3.84Å; A131-I146 HydrophobicContact CB-CG1 4.48Å; L144-I146 HydrophobicContact CB-CD1 4.48Å; L144-I146 HydrophobicContact CB-CG1 4.09Å; I146-N148 WeakPolarHBondContact CG2-ND2 3.49Å; I146-N148 PolarHBondContact O-ND2 2.9Å; I146-V169 HydrophobicContact CD1-CG1 4.33Å; I146-T198 CarbonylContact O-C 3.5Å; I146-T198 WeakPolarHBondContact O-CA 3.35Å; I146-V199 PolarHBondContact N-O 2.85Å; I146-V199 PolarHBondContact O-N 2.61Å; I146-T201 HydrophobicContact CD1-CG2 3.95Å; I146-T201 HydrophobicContact CG1-CG2 4.45Å; I146-L226 HydrophobicContact CD1-CD1 3.37Å; I146-M228 HydrophobicContact CG2-CE 4.42Å; I146-V251 HydrophobicContact CD1-CG1 4.44Å; I146-V251 HydrophobicContact CD1-CG2 4.34Å
147T94.8Very high94Very high26 Ų2644.9 Ų44.916%0.1621%0.213CC..EExtended strand (participates in β ladder)trans-90.7124.2173.8-52.50000109.6K129 S130 D196 Y197 T198K129-T147 HydrophobicContact CB-CG2 4.4Å; K129-T147 PolarHBondContact N-O 2.92Å; S130-T147 PolarHBondContact N-O 3.24Å; S130-T147 PolarHBondContact O-N 2.79Å; S130-T147 WeakPolarHBondContact OG-CB 3.35Å; S130-T147 PolarHBondContact OG-OG1 2.81Å; T147-D196 HydrophobicContact CG2-CB 4.38Å; T147-Y197 CarbonylContact C-O 3.51Å; T147-Y197 WeakPolarHBondContact CA-O 3.45Å; T147-T198 PolarHBondContact OG1-OG1 3.49Å
148N93.9Very high94.1Very high0 Ų040.9 Ų40.90%019%0.187CC..EExtended strand (participates in β ladder)trans-122.7154.2-177.3-63.5-84.8000110.2Y125 G127 V128 I146 D196 Y197 M228Y125-N148 HydrophobicContact CE2-CB 3.92Å; Y125-N148 PolarHBondContact OH-OD1 2.77Å; G127-N148 WeakPolarHBondContact O-CA 3.39Å; V128-N148 WeakPolarHBondContact CG2-OD1 3.37Å; I146-N148 WeakPolarHBondContact CG2-ND2 3.49Å; I146-N148 PolarHBondContact O-ND2 2.9Å; N148-D196 CarbonylContact O-C 3.56Å; N148-D196 VanDerWaalsContact O-CA 3.28Å; N148-D196 WeakPolarHBondContact O-CA 3.24Å; N148-Y197 HydrophobicContact CB-CD1 4.03Å; N148-Y197 HydrophobicContact CB-CD2 4.49Å; N148-Y197 HydrophobicContact CB-CE1 3.39Å; N148-Y197 HydrophobicContact CB-CE2 3.96Å; N148-Y197 VanDerWaalsContact CB-CZ 3.41Å; N148-Y197 PolarHBondContact N-O 2.96Å; N148-Y197 WeakPolarHBondContact O-CD1 3.42Å; N148-Y197 PolarHBondContact O-N 2.91Å; N148-M228 WeakPolarHBondContact ND2-CE 3.39Å
149T93.8Very high94.3Very high13 Ų1334.5 Ų34.58%0.0816%0.163CC..EExtended strand (participates in β ladder)trans-114.4127.3177.6-540000110.2I126 G127 Q194 D196I126-T149 HydrophobicContact CB-CG2 4.48Å; I126-T149 WeakPolarHBondContact CB-O 3.14Å; I126-T149 HydrophobicContact CD1-CG2 3.62Å; I126-T149 PolarHBondContact N-O 2.88Å; G127-T149 PolarHBondContact O-N 3.17Å; T149-Q194 HydrophobicContact CG2-CB 4.24Å; T149-D196 VanDerWaalsContact CB-OD1 3.32Å; T149-D196 WeakPolarHBondContact CB-OD1 3.5Å; T149-D196 VanDerWaalsContact CG2-OD1 3.29Å; T149-D196 WeakPolarHBondContact CG2-OD1 3.33Å; T149-D196 PolarHBondContact OG1-OD1 3.19Å
150L93.8Very high94.4Very high0 Ų027.7 Ų27.70%013%0.133CC..EExtended strand (participates in β ladder)trans-103.7147.1169.7-55.8173.1000109.7Y125 I165 Q194 I195 Y197 V230 V232Y125-L150 HydrophobicContact CD2-CD2 3.89Å; L150-I165 HydrophobicContact CD1-CD1 4.02Å; L150-I165 HydrophobicContact CD1-CG2 4.06Å; L150-Q194 CarbonylContact O-C 3.47Å; L150-Q194 WeakPolarHBondContact O-CA 3.37Å; L150-I195 PolarHBondContact N-O 2.94Å; L150-I195 PolarHBondContact O-N 3.31Å; L150-Y197 HydrophobicContact CD1-CD1 3.8Å; L150-Y197 HydrophobicContact CD1-CE1 3.64Å; L150-Y197 HydrophobicContact CD2-CD1 4.38Å; L150-Y197 HydrophobicContact CD2-CE1 3.48Å; L150-Y197 VanDerWaalsContact CD2-CE1 3.48Å; L150-Y197 HydrophobicContact CG-CD1 3.71Å; L150-Y197 HydrophobicContact CG-CE1 3.3Å; L150-V230 HydrophobicContact CD1-CG2 3.67Å; L150-V230 HydrophobicContact CD2-CG1 3.9Å; L150-V230 HydrophobicContact CD2-CG2 4.35Å; L150-V232 HydrophobicContact CD1-CG2 4.35Å
151N94.9Very high94.5Very high23 Ų2326.1 Ų26.112%0.12313%0.131CC..EExtended strand (participates in β ladder)trans-111.7119.2165.6-167.62.8000109.1K124 I126 M192K124-N151 HydrophobicContact CB-CB 4.34Å; K124-N151 PolarHBondContact N-O 3.5Å; K124-N151 PolarHBondContact O-N 3Å; I126-N151 HydrophobicContact CD1-CB 3.65Å; I126-N151 HydrophobicContact CG1-CB 3.86Å; N151-M192 PolarHBondContact ND2-SD 2.88Å; N151-M192 WeakPolarHBondContact OD1-CG 3.39Å; N151-M192 PolarHBondContact OD1-SD 3.45Å
152I95.1Very high94.5Very high0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-112.7119177.7-50.6-177.4000107.8I121 D122 V123 V162 I165 I187 M192 K193 I195 V232I121-I152 HydrophobicContact CG2-CG2 3.94Å; D122-I152 WeakPolarHBondContact O-CA 3.49Å; V123-I152 HydrophobicContact CG2-CG2 4.36Å; I152-V162 HydrophobicContact CD1-CG2 4.42Å; I152-I165 HydrophobicContact CD1-CD1 4.13Å; I152-I187 HydrophobicContact CB-CD1 3.68Å; I152-I187 HydrophobicContact CG2-CD1 3.37Å; I152-M192 WeakPolarHBondContact O-CA 3.21Å; I152-K193 PolarHBondContact N-O 3.29Å; I152-K193 PolarHBondContact O-N 2.97Å; I152-I195 HydrophobicContact CD1-CD1 3.71Å; I152-I195 HydrophobicContact CG1-CD1 4.48Å; I152-V232 HydrophobicContact CD1-CG1 3.82Å; I152-V232 HydrophobicContact CD1-CG2 4.16Å
153T95.6Very high94.5Very high28 Ų2829.4 Ų29.417%0.17215%0.146CC..EExtended strand (participates in β ladder)trans-110.9123.8-179.6-49.10000109.4D122 M192D122-T153 PolarHBondContact N-O 2.82Å; D122-T153 PolarHBondContact O-N 2.74Å; T153-M192 HydrophobicContact CG2-CB 4.39Å
154N95.4Very high94.5Very high1 Ų125.7 Ų25.71%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-96.4107.9175.9178.522.8000109.8N156 Y158 I187 G188 L190 D191N154-N156 VanDerWaalsContact C-N 3.27Å; N154-N156 PolarHBondContact O-N 2.83Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 2.87Å; N154-N156 PolarHBondContact OD1-ND2 2.84Å; N154-Y158 PolarHBondContact ND2-O 2.7Å; N154-I187 HydrophobicContact CB-CB 4.28Å; N154-I187 HydrophobicContact CB-CG2 3.62Å; N154-G188 PolarHBondContact ND2-O 2.57Å; N154-L190 CarbonylContact O-C 3.57Å; N154-L190 WeakPolarHBondContact O-CA 3.31Å; N154-L190 PolarHBondContact O-N 2.76Å; N154-D191 PolarHBondContact N-O 3.42Å; N154-D191 PolarHBondContact O-N 3.06Å
155N94.4Very high94.6Very high47 Ų4725.7 Ų25.725%0.25113%0.132SC..  trans-86.84.8177.1-58-43.9000113.5R119 S120 D122 L190R119-N155 HydrophobicContact CB-CB 4.43Å; R119-N155 WeakPolarHBondContact CD-O 3.49Å; S120-N155 WeakPolarHBondContact O-CB 3.32Å; S120-N155 PolarHBondContact O-ND2 2.85Å; D122-N155 PolarHBondContact OD2-ND2 2.87Å; N155-L190 VanDerWaalsContact O-CD2 3.31Å; N155-L190 WeakPolarHBondContact O-CD2 3.44Å
156N94.5Very high94.6Very high1 Ų124.2 Ų24.21%0.00513%0.125CC..SBendtrans-79.6155.9176.8-65.9-77.8000112R119 N154 Y158 P189 L190R119-N156 PolarHBondContact N-OD1 3.34Å; R119-N156 PolarHBondContact O-ND2 2.88Å; R119-N156 PolarHBondContact O-OD1 2.74Å; N154-N156 VanDerWaalsContact C-N 3.27Å; N154-N156 PolarHBondContact O-N 2.83Å; N154-N156 WeakPolarHBondContact OD1-CB 3.29Å; N154-N156 PolarHBondContact OD1-N 2.87Å; N154-N156 PolarHBondContact OD1-ND2 2.84Å; N156-Y158 HydrophobicContact CB-CD1 4.03Å; N156-Y158 HydrophobicContact CB-CD2 4.1Å; N156-Y158 HydrophobicContact CB-CE1 3.84Å; N156-Y158 HydrophobicContact CB-CE2 3.89Å; N156-Y158 HydrophobicContact CB-CG 4.18Å; N156-Y158 PolarHBondContact O-N 3.02Å; N156-Y158 PolarHBondContact OD1-OH 3.26Å; N156-P189 CarbonylContact O-C 3.58Å; N156-P189 WeakPolarHBondContact O-CA 3.43Å; N156-L190 PolarHBondContact O-N 2.89Å
157Y94.4Very high94.7Very high78 Ų7824.3 Ų24.331%0.30613%0.126SC..SBendtrans-84.94.2172.3-62.8-76.4000113.4F114 F115 R119 P189 L190F114-Y157 HydrophobicContact CD1-CE2 4.24Å; F114-Y157 AromaticContact CE1-CE2 3.64Å; F114-Y157 HydrophobicContact CE1-CE2 3.64Å; F114-Y157 AromaticContact CE1-CZ 3.8Å; F114-Y157 HydrophobicContact CZ-CE2 4.05Å; F115-Y157 HydrophobicContact CD1-CD1 4.17Å; F115-Y157 AromaticContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CD2 3.77Å; F115-Y157 HydrophobicContact CD1-CE2 4.25Å; F115-Y157 AromaticContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CD1-CG 3.72Å; F115-Y157 HydrophobicContact CE1-CD1 4.28Å; F115-Y157 HydrophobicContact CE1-CD2 4.46Å; F115-Y157 HydrophobicContact CE1-CE1 4.46Å; F115-Y157 HydrophobicContact CE1-CG 4.28Å; R119-Y157 PolarHBondContact NH1-OH 3.49Å; R119-Y157 VanDerWaalsContact NH1-OH 3.08Å; R119-Y157 VanDerWaalsContact NH2-CE2 3.27Å; R119-Y157 PolarHBondContact NH2-OH 3.46Å; R119-Y157 VanDerWaalsContact NH2-OH 3.11Å; Y157-P189 WeakPolarHBondContact O-CB 3.45Å; Y157-L190 HydrophobicContact CD1-CD1 3.9Å; Y157-L190 HydrophobicContact CD1-CD2 4.37Å; Y157-L190 HydrophobicContact CD1-CG 4.18Å; Y157-L190 HydrophobicContact CE1-CD1 3.74Å; Y157-L190 HydrophobicContact CE1-CD2 4.33Å; Y157-L190 HydrophobicContact CE1-CG 4.35Å
158Y93.3Very high94.8Very high22 Ų2225.9 Ų25.99%0.08613%0.132CC..SBendtrans-123.4160.2174.154.1-96.3000109.7P118 N154 N156 V160 Y236 F237P118-Y158 WeakPolarHBondContact CA-OH 3.48Å; N154-Y158 PolarHBondContact ND2-O 2.7Å; N156-Y158 HydrophobicContact CB-CD1 4.03Å; N156-Y158 HydrophobicContact CB-CD2 4.1Å; N156-Y158 HydrophobicContact CB-CE1 3.84Å; N156-Y158 HydrophobicContact CB-CE2 3.89Å; N156-Y158 HydrophobicContact CB-CG 4.18Å; N156-Y158 PolarHBondContact O-N 3.02Å; N156-Y158 PolarHBondContact OD1-OH 3.26Å; Y158-V160 HydrophobicContact CD2-CG2 4.18Å; Y158-V160 HydrophobicContact CE2-CG2 4Å; Y158-Y236 AromaticContact CE2-CD2 3.74Å; Y158-Y236 HydrophobicContact CE2-CD2 3.74Å; Y158-Y236 AromaticContact CE2-CG 3.75Å; Y158-Y236 HydrophobicContact CE2-CG 3.75Å; Y158-Y236 AromaticContact CZ-CD2 3.93Å; Y158-Y236 WeakPolarHBondContact OH-CD2 3.4Å; Y158-Y236 WeakPolarHBondContact OH-CE2 3.28Å; Y158-F237 AromaticContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CZ 4.04Å; Y158-F237 HydrophobicContact CD2-CD2 4.32Å; Y158-F237 AromaticContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CZ 4.17Å; Y158-F237 HydrophobicContact CE1-CD2 4.41Å; Y158-F237 AromaticContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE2-CD2 4.11Å; Y158-F237 AromaticContact CE2-CE2 3.79Å; Y158-F237 HydrophobicContact CE2-CE2 3.79Å; Y158-F237 AromaticContact CG-CE2 3.52Å; Y158-F237 HydrophobicContact CG-CE2 3.52Å; Y158-F237 AromaticContact CG-CZ 3.79Å; Y158-F237 HydrophobicContact CG-CZ 3.79Å; Y158-F237 AromaticContact CZ-CE2 3.76Å
159S93.9Very high94.9Very high52 Ų5225.9 Ų25.936%0.36413%0.132SC..  trans-77.1141.2-179.6152.90000110.7N186 I187S159-N186 PolarHBondContact OG-ND2 2.91Å; S159-N186 PolarHBondContact OG-OD1 2.74Å; S159-I187 WeakPolarHBondContact CA-O 3.35Å
160V94.4Very high95Very high2 Ų226.3 Ų26.31%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-120.9139.5-177.7177.90000109.2I121 Y158 N186 I187 T234 Y236I121-V160 HydrophobicContact CD1-CG1 3.88Å; I121-V160 HydrophobicContact CD1-CG2 4.29Å; Y158-V160 HydrophobicContact CD2-CG2 4.18Å; Y158-V160 HydrophobicContact CE2-CG2 4Å; V160-N186 WeakPolarHBondContact O-CA 3.41Å; V160-I187 PolarHBondContact N-O 2.84Å; V160-I187 PolarHBondContact O-N 2.97Å; V160-T234 HydrophobicContact CG1-CG2 4.12Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; V160-Y236 HydrophobicContact CG2-CD1 4.4Å
161E93.9Very high95Very high87 Ų8727.6 Ų27.641%0.40714%0.138SC..EExtended strand (participates in β ladder)trans-97.9133.6177.7-179.4175.9-166.300110.8E163 T234 T235E161-E163 PolarHBondContact O-N 3.08Å; E161-T234 CarbonylContact O-C 3.59Å; E161-T234 VanDerWaalsContact O-CA 3.24Å; E161-T234 WeakPolarHBondContact O-CA 3.06Å; E161-T235 WeakPolarHBondContact CB-OG1 3.4Å; E161-T235 PolarHBondContact N-O 3.11Å; E161-T235 PolarHBondContact O-N 3.48Å; E161-T235 PolarHBondContact O-OG1 3.04Å
162V94.9Very high94.7Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-91.797.5173.3-175.70000108.5I152 I165 I184 T185 I187 V232 T234I152-V162 HydrophobicContact CD1-CG2 4.42Å; V162-I165 HydrophobicContact CG1-CD1 4.2Å; V162-I165 HydrophobicContact CG1-CG1 3.99Å; V162-I184 HydrophobicContact CB-CB 4.47Å; V162-I184 HydrophobicContact CG1-CB 4.31Å; V162-I184 HydrophobicContact CG1-CD1 4.16Å; V162-I184 PolarHBondContact O-N 3.46Å; V162-T185 WeakPolarHBondContact CB-O 3.14Å; V162-T185 WeakPolarHBondContact CG2-O 3.35Å; V162-T185 PolarHBondContact N-O 3.08Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.11Å; V162-V232 HydrophobicContact CG1-CG1 4.03Å; V162-T234 HydrophobicContact CG2-CG2 4.27Å
163E93.4Very high94.4Very high82 Ų8238.7 Ų38.738%0.38320%0.2SC..EExtended strand (participates in β ladder)trans-67.6-50.1-176.3-172.5-166.7160.200111.3E161 N182 N183 T233 T235E161-E163 PolarHBondContact O-N 3.08Å; E163-N182 CarbonylContact O-C 3.56Å; E163-N182 WeakPolarHBondContact O-CA 3.4Å; E163-N183 PolarHBondContact O-N 2.99Å; E163-T233 HydrophobicContact CB-CG2 4.48Å; E163-T233 PolarHBondContact N-O 3.34Å; E163-T235 HydrophobicContact CB-CG2 4.09Å; E163-T235 WeakPolarHBondContact OE2-CG2 3.46Å
164N95.6Very high94.3Very high9 Ų940.7 Ų40.75%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-155.1156176.961.455.5000112.9R180 L181 N182 T233N164-R180 PolarHBondContact ND2-NH2 3Å; N164-L181 CarbonylContact C-O 3.49Å; N164-L181 WeakPolarHBondContact CA-O 3.37Å; N164-L181 VanDerWaalsContact CB-O 3.28Å; N164-L181 WeakPolarHBondContact CB-O 3.37Å; N164-N182 WeakPolarHBondContact CB-OD1 3.39Å; N164-T233 PolarHBondContact N-O 3.38Å; N164-T233 PolarHBondContact O-N 3.44Å; N164-T233 WeakPolarHBondContact OD1-CB 3.32Å; N164-T233 PolarHBondContact OD1-OG1 3.12Å
165I95.7Very high94.4Very high0 Ų043.3 Ų43.30%023%0.228CC..EExtended strand (participates in β ladder)trans-123120.4169.1-64.9178.2000107.1L150 I152 V162 R180 L181 I184 I195 V230 T231 V232L150-I165 HydrophobicContact CD1-CD1 4.02Å; L150-I165 HydrophobicContact CD1-CG2 4.06Å; I152-I165 HydrophobicContact CD1-CD1 4.13Å; V162-I165 HydrophobicContact CG1-CD1 4.2Å; V162-I165 HydrophobicContact CG1-CG1 3.99Å; I165-R180 CarbonylContact O-C 3.56Å; I165-R180 WeakPolarHBondContact O-CA 3.4Å; I165-L181 PolarHBondContact N-O 2.86Å; I165-L181 PolarHBondContact O-N 3.03Å; I165-I184 HydrophobicContact CB-CD1 3.66Å; I165-I184 HydrophobicContact CD1-CD1 3.24Å; I165-I184 HydrophobicContact CG1-CD1 3.28Å; I165-I195 HydrophobicContact CD1-CD1 4.15Å; I165-I195 HydrophobicContact CD1-CG2 4.09Å; I165-V230 HydrophobicContact CG2-CG2 3.6Å; I165-T231 WeakPolarHBondContact CA-O 3.5Å; I165-V232 HydrophobicContact CD1-CG2 4.39Å; I165-V232 HydrophobicContact CG1-CB 4.46Å; I165-V232 HydrophobicContact CG1-CG1 4.16Å; I165-V232 HydrophobicContact CG1-CG2 4.14Å
166T96.1Very high94.4Very high38 Ų3842 Ų4223%0.23322%0.221CC..EExtended strand (participates in β ladder)trans-105.6128172.558.50000108.5A179 R180 V230 T231T166-A179 WeakPolarHBondContact CA-O 3.36Å; T166-R180 HydrophobicContact CG2-CB 4.33Å; T166-R180 HydrophobicContact CG2-CG 3.88Å; T166-V230 CarbonylContact O-C 3.58Å; T166-V230 WeakPolarHBondContact O-CA 3.49Å; T166-T231 PolarHBondContact N-O 3.23Å; T166-T231 PolarHBondContact O-N 3.4Å; T166-T231 WeakPolarHBondContact OG1-CB 3.5Å; T166-T231 PolarHBondContact OG1-O 2.79Å
167A96.4Very high94.5Very high2 Ų242.4 Ų42.42%0.01722%0.224CC..EExtended strand (participates in β ladder)trans-124.4141.7-179.800000110K178 A179 Y197 V199 Q229 V230A167-K178 CarbonylContact O-C 3.48Å; A167-K178 WeakPolarHBondContact O-CA 3.43Å; A167-A179 PolarHBondContact N-O 2.87Å; A167-A179 PolarHBondContact O-N 3.39Å; A167-Y197 HydrophobicContact CB-CD2 3.58Å; A167-Y197 HydrophobicContact CB-CE2 3.34Å; A167-V199 HydrophobicContact CB-CG2 3.68Å; A167-Q229 CarbonylContact C-O 3.48Å; A167-Q229 WeakPolarHBondContact CA-O 3.23Å; A167-V230 HydrophobicContact CB-CG2 4.49Å
168Q96.7Very high94.6Very high58 Ų5845.4 Ų45.427%0.27124%0.239SC..EExtended strand (participates in β ladder)trans-133142.1176.7-52.4-171.327.600109V175 G177 K178 Q229Q168-V175 HydrophobicContact CB-CG1 4.41Å; Q168-G177 WeakPolarHBondContact CA-O 3.33Å; Q168-K178 HydrophobicContact CG-CG 4.25Å; Q168-Q229 HydrophobicContact CB-CB 4.43Å; Q168-Q229 PolarHBondContact N-O 2.84Å; Q168-Q229 PolarHBondContact O-N 3.4Å
169V96.6Very high94.7Very high0 Ų045.3 Ų45.30%024%0.243CC..EExtended strand (participates in β ladder)trans-117.4128.7172.8-177.20000107.8I146 I176 G177 V199 T201 L226 M228I146-V169 HydrophobicContact CD1-CG1 4.33Å; V169-I176 HydrophobicContact CB-CG1 4.3Å; V169-I176 HydrophobicContact CG1-CD1 4.05Å; V169-I176 HydrophobicContact CG1-CG1 4Å; V169-I176 WeakPolarHBondContact O-CG1 3.48Å; V169-I176 PolarHBondContact O-N 3.29Å; V169-G177 PolarHBondContact N-O 3.23Å; V169-G177 PolarHBondContact O-N 2.8Å; V169-V199 HydrophobicContact CG2-CB 3.85Å; V169-V199 HydrophobicContact CG2-CG1 3.76Å; V169-V199 HydrophobicContact CG2-CG2 4.15Å; V169-T201 HydrophobicContact CB-CG2 3.64Å; V169-T201 HydrophobicContact CG1-CG2 3.92Å; V169-T201 HydrophobicContact CG2-CG2 3.72Å; V169-L226 HydrophobicContact CG1-CB 3.96Å; V169-L226 HydrophobicContact CG1-CD1 3.9Å; V169-L226 HydrophobicContact CG1-CD2 4.35Å; V169-L226 HydrophobicContact CG1-CG 4.29Å; V169-M228 HydrophobicContact CB-SD 4.36Å; V169-M228 HydrophobicContact CG1-SD 3.92Å; V169-M228 HydrophobicContact CG2-CE 3.46Å; V169-M228 VanDerWaalsContact CG2-CE 3.46Å; V169-M228 HydrophobicContact CG2-SD 3.69Å
170Q95.6Very high94.8Very high22 Ų2250.2 Ų50.210%0.10325%0.253CS..EExtended strand (participates in β ladder)trans-120.6142.2-180-44.3-174.31500111T174 V175 M227Q170-T174 CarbonylContact C-O 3.58Å; Q170-T174 WeakPolarHBondContact CA-O 3.48Å; Q170-V175 HydrophobicContact CG-CG2 4.03Å; Q170-M227 HydrophobicContact CB-CB 4.24Å; Q170-M227 HydrophobicContact CB-CE 4.25Å; Q170-M227 HydrophobicContact CG-CE 4.04Å; Q170-M227 PolarHBondContact N-O 3.29Å; Q170-M227 PolarHBondContact O-N 2.81Å
171F94.1Very high94.7Very high27 Ų2752.5 Ų52.512%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-120.3123.6169.8179.4-103.9000108.3K173 T174 I176 M207 M210 V225 L226F171-K173 PolarHBondContact O-N 3.46Å; F171-K173 VanDerWaalsContact O-N 3.15Å; F171-T174 PolarHBondContact N-O 3.17Å; F171-T174 WeakPolarHBondContact O-CB 3.45Å; F171-T174 PolarHBondContact O-N 2.75Å; F171-I176 HydrophobicContact CB-CD1 3.92Å; F171-I176 HydrophobicContact CB-CG1 4.33Å; F171-I176 HydrophobicContact CB-CG2 4.04Å; F171-M207 HydrophobicContact CD1-CE 4.38Å; F171-M207 HydrophobicContact CD1-CG 4.3Å; F171-M207 HydrophobicContact CD1-SD 3.86Å; F171-M207 HydrophobicContact CE1-SD 3.8Å; F171-M210 HydrophobicContact CE1-CE 3.56Å; F171-M210 HydrophobicContact CE2-CE 4.23Å; F171-M210 HydrophobicContact CZ-CE 3.28Å; F171-M210 HydrophobicContact CZ-SD 4.37Å; F171-V225 WeakPolarHBondContact CD2-O 3.47Å; F171-L226 HydrophobicContact CB-CD2 3.97Å; F171-L226 HydrophobicContact CD2-CD2 3.88Å; F171-L226 HydrophobicContact CG-CD2 4.37Å
172A89.4Confident94.6Very high75 Ų7553.1 Ų53.162%0.6227%0.271SS*.THydrogen-bonded Turntrans49.139.6-176.700000114.3T174A172-T174 PolarHBondContact O-N 2.8Å
173K88.9Confident94Very high182 Ų18258.8 Ų58.879%0.79130%0.301SS*.THydrogen-bonded Turntrans71.90.9-175.3-50.7175.8178.1177.90115.9F171F171-K173 PolarHBondContact O-N 3.46Å; F171-K173 VanDerWaalsContact O-N 3.15Å
174T93.8Very high93.5Very high69 Ų6956.8 Ų56.842%0.42329%0.293SS..EExtended strand (participates in β ladder)trans-91.9128.7172.2-570000109.7Q170 F171 A172 I176Q170-T174 CarbonylContact C-O 3.58Å; Q170-T174 WeakPolarHBondContact CA-O 3.48Å; F171-T174 PolarHBondContact N-O 3.17Å; F171-T174 WeakPolarHBondContact O-CB 3.45Å; F171-T174 PolarHBondContact O-N 2.75Å; A172-T174 PolarHBondContact O-N 2.8Å; T174-I176 PolarHBondContact O-N 3.45Å
175V95.6Very high93.2Very high57 Ų5758.6 Ų58.635%0.34530%0.304SS..EExtended strand (participates in β ladder)trans-74.4114.7178-174.80000109.7Q168 Q170 G177 K178Q168-V175 HydrophobicContact CB-CG1 4.41Å; Q170-V175 HydrophobicContact CG-CG2 4.03Å; V175-G177 WeakPolarHBondContact CG1-O 2.88Å; V175-K178 HydrophobicContact CG1-CD 4.33Å; V175-K178 HydrophobicContact CG1-CG 3.79Å
176I95.3Very high93Very high20 Ų2062.1 Ų62.110%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-104.5-7.3-178.358.1162000113.1V169 F171 T174 T201 I202 I203 L226V169-I176 HydrophobicContact CB-CG1 4.3Å; V169-I176 HydrophobicContact CG1-CD1 4.05Å; V169-I176 HydrophobicContact CG1-CG1 4Å; V169-I176 WeakPolarHBondContact O-CG1 3.48Å; V169-I176 PolarHBondContact O-N 3.29Å; F171-I176 HydrophobicContact CB-CD1 3.92Å; F171-I176 HydrophobicContact CB-CG1 4.33Å; F171-I176 HydrophobicContact CB-CG2 4.04Å; T174-I176 PolarHBondContact O-N 3.45Å; I176-T201 WeakPolarHBondContact O-CA 3.37Å; I176-I202 PolarHBondContact O-N 3.03Å; I176-I203 HydrophobicContact CD1-CD1 4.27Å; I176-I203 HydrophobicContact CD1-CG1 3.92Å; I176-L226 HydrophobicContact CD1-CD2 3.77Å
177G95.8Very high92.9Very high8 Ų860.4 Ų60.48%0.08231%0.313CS..EExtended strand (participates in β ladder)trans-163.1149.6175.300000112.6Q168 V169 V175 P200Q168-G177 WeakPolarHBondContact CA-O 3.33Å; V169-G177 PolarHBondContact N-O 3.23Å; V169-G177 PolarHBondContact O-N 2.8Å; V175-G177 WeakPolarHBondContact CG1-O 2.88Å; G177-P200 WeakPolarHBondContact CA-O 3.24Å
178K96.6Very high92.8Very high142 Ų14261.1 Ų61.162%0.61732%0.32SS*.EExtended strand (participates in β ladder)trans-139.4139.3176.9-63.3-175.8-179.8175.90109.2A167 Q168 V175A167-K178 CarbonylContact O-C 3.48Å; A167-K178 WeakPolarHBondContact O-CA 3.43Å; Q168-K178 HydrophobicContact CG-CG 4.25Å; V175-K178 HydrophobicContact CG1-CD 4.33Å; V175-K178 HydrophobicContact CG1-CG 3.79Å
179A96.1Very high92.7Very high19 Ų1961.8 Ų61.816%0.15733%0.329CS..EExtended strand (participates in β ladder)trans-137.1148.6171.100000109.8T166 A167 V199T166-A179 WeakPolarHBondContact CA-O 3.36Å; A167-A179 PolarHBondContact N-O 2.87Å; A167-A179 PolarHBondContact O-N 3.39Å; A179-V199 HydrophobicContact CB-CB 4.33Å; A179-V199 HydrophobicContact CB-CG1 4.12Å; A179-V199 HydrophobicContact CB-CG2 4.05Å
180R95.4Very high92.6Very high156 Ų15666.6 Ų66.659%0.58936%0.355SS*.EExtended strand (participates in β ladder)trans-135.4124.1172.8-178.2173.5-177.8170.58.1108.9N164 I165 T166 N182N164-R180 PolarHBondContact ND2-NH2 3Å; I165-R180 CarbonylContact O-C 3.56Å; I165-R180 WeakPolarHBondContact O-CA 3.4Å; T166-R180 HydrophobicContact CG2-CB 4.33Å; T166-R180 HydrophobicContact CG2-CG 3.88Å; R180-N182 WeakPolarHBondContact CG-OD1 3.19Å; R180-N182 PolarHBondContact NE-OD1 2.77Å
181L93.8Very high92.6Very high50 Ų5068.7 Ų68.726%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-107.8133.4173-65.286.4000107.1N164 I165 I184N164-L181 CarbonylContact C-O 3.49Å; N164-L181 WeakPolarHBondContact CA-O 3.37Å; N164-L181 VanDerWaalsContact CB-O 3.28Å; N164-L181 WeakPolarHBondContact CB-O 3.37Å; I165-L181 PolarHBondContact N-O 2.86Å; I165-L181 PolarHBondContact O-N 3.03Å; L181-I184 HydrophobicContact CB-CD1 3.64Å; L181-I184 HydrophobicContact CB-CG1 3.98Å
182N91.9Very high92.6Very high100 Ų10071.6 Ų71.654%0.53538%0.382SS..EExtended strand (participates in β ladder)trans-119.5151.3-179.5-60.3-38000109.7E163 N164 R180E163-N182 CarbonylContact O-C 3.56Å; E163-N182 WeakPolarHBondContact O-CA 3.4Å; N164-N182 WeakPolarHBondContact CB-OD1 3.39Å; R180-N182 WeakPolarHBondContact CG-OD1 3.19Å; R180-N182 PolarHBondContact NE-OD1 2.77Å
183N81.3Confident92.8Very high118 Ų11871.6 Ų71.663%0.63137%0.368SS*.SBendtrans44.565.8178.2-166.2-4.3000112.4E163E163-N183 PolarHBondContact O-N 2.99Å
184I82.4Confident93Very high40 Ų4068.7 Ų68.721%0.20536%0.357CS..  trans-80.9-66.1-167.2-59.4178.1000109.7V162 I165 L181 I195V162-I184 HydrophobicContact CB-CB 4.47Å; V162-I184 HydrophobicContact CG1-CB 4.31Å; V162-I184 HydrophobicContact CG1-CD1 4.16Å; V162-I184 PolarHBondContact O-N 3.46Å; I165-I184 HydrophobicContact CB-CD1 3.66Å; I165-I184 HydrophobicContact CD1-CD1 3.24Å; I165-I184 HydrophobicContact CG1-CD1 3.28Å; L181-I184 HydrophobicContact CB-CD1 3.64Å; L181-I184 HydrophobicContact CB-CG1 3.98Å; I184-I195 HydrophobicContact CG2-CD1 3.8Å; I184-I195 HydrophobicContact CG2-CG1 4.16Å; I184-I195 HydrophobicContact CG2-CG2 3.99Å
185T89.1Confident93Very high47 Ų4766 Ų6629%0.28834%0.34SS..  trans-163.4157.2-176.553.80000111V162V162-T185 WeakPolarHBondContact CB-O 3.14Å; V162-T185 WeakPolarHBondContact CG2-O 3.35Å; V162-T185 PolarHBondContact N-O 3.08Å
186N92.4Very high92.9Very high74 Ų7466.5 Ų66.540%0.39634%0.341SS..EExtended strand (participates in β ladder)trans-89.2137.2163.6-177.2-56.7000110.5S159 V160 K193S159-N186 PolarHBondContact OG-ND2 2.91Å; S159-N186 PolarHBondContact OG-OD1 2.74Å; V160-N186 WeakPolarHBondContact O-CA 3.41Å; N186-K193 WeakPolarHBondContact O-CE 3.2Å; N186-K193 PolarHBondContact O-NZ 2.96Å
187I94.8Very high92.9Very high2 Ų265.7 Ų65.71%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-105.1126.7174.6-53.2176.2000108.6I152 N154 S159 V160 V162 D191 K193I152-I187 HydrophobicContact CB-CD1 3.68Å; I152-I187 HydrophobicContact CG2-CD1 3.37Å; N154-I187 HydrophobicContact CB-CB 4.28Å; N154-I187 HydrophobicContact CB-CG2 3.62Å; S159-I187 WeakPolarHBondContact CA-O 3.35Å; V160-I187 PolarHBondContact N-O 2.84Å; V160-I187 PolarHBondContact O-N 2.97Å; V162-I187 HydrophobicContact CG2-CD1 3.81Å; V162-I187 HydrophobicContact CG2-CG1 4.11Å; I187-D191 HydrophobicContact CG2-CB 4.14Å; I187-D191 WeakPolarHBondContact CG2-O 3.4Å; I187-K193 HydrophobicContact CG1-CB 4.3Å; I187-K193 HydrophobicContact CG1-CD 4.21Å; I187-K193 HydrophobicContact CG1-CG 4.36Å
188G94.3Very high92.8Very high17 Ų1768.3 Ų68.318%0.17535%0.351CS..  trans-66.7171.1-17900000113.5N154 L190 D191N154-G188 PolarHBondContact ND2-O 2.57Å; G188-L190 PolarHBondContact O-N 3.37Å; G188-D191 WeakPolarHBondContact O-CB 3.07Å; G188-D191 PolarHBondContact O-N 3.2Å
189P94.4Very high92.8Very high72 Ų7261.6 Ų61.647%0.46832%0.322SS..THydrogen-bonded Turntrans-57.6132.7171.1-23.634.8000111.7N156 Y157 D191N156-P189 CarbonylContact O-C 3.58Å; N156-P189 WeakPolarHBondContact O-CA 3.43Å; Y157-P189 WeakPolarHBondContact O-CB 3.45Å; P189-D191 PolarHBondContact O-N 2.89Å
190L93.9Very high92.9Very high101 Ų10163.9 Ų63.953%0.52934%0.335SS..THydrogen-bonded Turntrans53.123179.4-55.8179.7000114.3N154 N155 N156 Y157 G188N154-L190 CarbonylContact O-C 3.57Å; N154-L190 WeakPolarHBondContact O-CA 3.31Å; N154-L190 PolarHBondContact O-N 2.76Å; N155-L190 VanDerWaalsContact O-CD2 3.31Å; N155-L190 WeakPolarHBondContact O-CD2 3.44Å; N156-L190 PolarHBondContact O-N 2.89Å; Y157-L190 HydrophobicContact CD1-CD1 3.9Å; Y157-L190 HydrophobicContact CD1-CD2 4.37Å; Y157-L190 HydrophobicContact CD1-CG 4.18Å; Y157-L190 HydrophobicContact CE1-CD1 3.74Å; Y157-L190 HydrophobicContact CE1-CD2 4.33Å; Y157-L190 HydrophobicContact CE1-CG 4.35Å; G188-L190 PolarHBondContact O-N 3.37Å
191D95.1Very high92.9Very high67 Ų6756.5 Ų56.536%0.35831%0.307SS..  trans-104.1162.9-174.3-169.226.2000111.3N154 I187 G188 P189N154-D191 PolarHBondContact N-O 3.42Å; N154-D191 PolarHBondContact O-N 3.06Å; I187-D191 HydrophobicContact CG2-CB 4.14Å; I187-D191 WeakPolarHBondContact CG2-O 3.4Å; G188-D191 WeakPolarHBondContact O-CB 3.07Å; G188-D191 PolarHBondContact O-N 3.2Å; P189-D191 PolarHBondContact O-N 2.89Å
192M94.7Very high93Very high88 Ų8858.1 Ų58.143%0.43332%0.315SS..EExtended strand (participates in β ladder)trans-132.5131.3-176.8-177.5-16179.900109.7N151 I152 T153N151-M192 PolarHBondContact ND2-SD 2.88Å; N151-M192 WeakPolarHBondContact OD1-CG 3.39Å; N151-M192 PolarHBondContact OD1-SD 3.45Å; I152-M192 WeakPolarHBondContact O-CA 3.21Å; T153-M192 HydrophobicContact CG2-CB 4.39Å
193K93.4Very high93.1Very high74 Ų7453.5 Ų53.532%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-127.8137.6175.5-71.1-168.1176.3179.30112.2I152 N186 I187I152-K193 PolarHBondContact N-O 3.29Å; I152-K193 PolarHBondContact O-N 2.97Å; N186-K193 WeakPolarHBondContact O-CE 3.2Å; N186-K193 PolarHBondContact O-NZ 2.96Å; I187-K193 HydrophobicContact CG1-CB 4.3Å; I187-K193 HydrophobicContact CG1-CD 4.21Å; I187-K193 HydrophobicContact CG1-CG 4.36Å
194Q94Very high93.6Very high121 Ų12149.3 Ų49.357%0.56527%0.272SS*.EExtended strand (participates in β ladder)trans-94.3133.1170.1-67.3-175.33.500110.2I126 T149 L150I126-Q194 HydrophobicContact CD1-CG 3.98Å; T149-Q194 HydrophobicContact CG2-CB 4.24Å; L150-Q194 CarbonylContact O-C 3.47Å; L150-Q194 WeakPolarHBondContact O-CA 3.37Å
195I93.1Very high93.9Very high13 Ų1355.4 Ų55.47%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-127.3125.9-178.9-65.8162.9000108.3L150 I152 I165 I184L150-I195 PolarHBondContact N-O 2.94Å; L150-I195 PolarHBondContact O-N 3.31Å; I152-I195 HydrophobicContact CD1-CD1 3.71Å; I152-I195 HydrophobicContact CG1-CD1 4.48Å; I165-I195 HydrophobicContact CD1-CD1 4.15Å; I165-I195 HydrophobicContact CD1-CG2 4.09Å; I184-I195 HydrophobicContact CG2-CD1 3.8Å; I184-I195 HydrophobicContact CG2-CG1 4.16Å; I184-I195 HydrophobicContact CG2-CG2 3.99Å
196D94.1Very high93.8Very high68 Ų6861.1 Ų61.136%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-92.3134172.8-68.3-24.3000110.2K129 T147 N148 T149K129-D196 WeakPolarHBondContact CD-OD2 3.46Å; K129-D196 IonicContact NZ-OD2 2.87Å; K129-D196 PolarHBondContact NZ-OD2 3.48Å; T147-D196 HydrophobicContact CG2-CB 4.38Å; N148-D196 CarbonylContact O-C 3.56Å; N148-D196 VanDerWaalsContact O-CA 3.28Å; N148-D196 WeakPolarHBondContact O-CA 3.24Å; T149-D196 VanDerWaalsContact CB-OD1 3.32Å; T149-D196 WeakPolarHBondContact CB-OD1 3.5Å; T149-D196 VanDerWaalsContact CG2-OD1 3.29Å; T149-D196 WeakPolarHBondContact CG2-OD1 3.33Å; T149-D196 PolarHBondContact OG1-OD1 3.19Å
197Y93.5Very high93.8Very high2 Ų259 Ų591%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-134.5137.4175.768.8-78.8000110.8Y125 T147 N148 L150 A167 V199Y125-Y197 WeakPolarHBondContact CE2-OH 3.45Å; T147-Y197 CarbonylContact C-O 3.51Å; T147-Y197 WeakPolarHBondContact CA-O 3.45Å; N148-Y197 HydrophobicContact CB-CD1 4.03Å; N148-Y197 HydrophobicContact CB-CD2 4.49Å; N148-Y197 HydrophobicContact CB-CE1 3.39Å; N148-Y197 HydrophobicContact CB-CE2 3.96Å; N148-Y197 VanDerWaalsContact CB-CZ 3.41Å; N148-Y197 PolarHBondContact N-O 2.96Å; N148-Y197 WeakPolarHBondContact O-CD1 3.42Å; N148-Y197 PolarHBondContact O-N 2.91Å; L150-Y197 HydrophobicContact CD1-CD1 3.8Å; L150-Y197 HydrophobicContact CD1-CE1 3.64Å; L150-Y197 HydrophobicContact CD2-CD1 4.38Å; L150-Y197 HydrophobicContact CD2-CE1 3.48Å; L150-Y197 VanDerWaalsContact CD2-CE1 3.48Å; L150-Y197 HydrophobicContact CG-CD1 3.71Å; L150-Y197 HydrophobicContact CG-CE1 3.3Å; A167-Y197 HydrophobicContact CB-CD2 3.58Å; A167-Y197 HydrophobicContact CB-CE2 3.34Å; Y197-V199 HydrophobicContact CD2-CG2 3.8Å; Y197-V199 HydrophobicContact CE2-CG2 3.78Å
198T95.3Very high93.5Very high64 Ų6460.9 Ų60.939%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-106.2129.5177.8-54.90000109.9N145 I146 T147N145-T198 HydrophobicContact CB-CG2 4.05Å; I146-T198 CarbonylContact O-C 3.5Å; I146-T198 WeakPolarHBondContact O-CA 3.35Å; T147-T198 PolarHBondContact OG1-OG1 3.49Å
199V97Very high93.3Very high0 Ų066 Ų660%034%0.34CS..EExtended strand (participates in β ladder)trans-108117.9172.9-167.60000109.2I146 A167 V169 A179 Y197 T201I146-V199 PolarHBondContact N-O 2.85Å; I146-V199 PolarHBondContact O-N 2.61Å; A167-V199 HydrophobicContact CB-CG2 3.68Å; V169-V199 HydrophobicContact CG2-CB 3.85Å; V169-V199 HydrophobicContact CG2-CG1 3.76Å; V169-V199 HydrophobicContact CG2-CG2 4.15Å; A179-V199 HydrophobicContact CB-CB 4.33Å; A179-V199 HydrophobicContact CB-CG1 4.12Å; A179-V199 HydrophobicContact CB-CG2 4.05Å; Y197-V199 HydrophobicContact CD2-CG2 3.8Å; Y197-V199 HydrophobicContact CE2-CG2 3.78Å; V199-T201 HydrophobicContact CB-CG2 4.4Å; V199-T201 HydrophobicContact CG1-CG2 4.1Å
200P96.4Very high93.2Very high67 Ų6763.2 Ų63.244%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-73.2127.4167.530.7-31.3000108.7G177G177-P200 WeakPolarHBondContact CA-O 3.24Å
201T96Very high93.2Very high2 Ų259.7 Ų59.71%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-127.4140.6-176.866.30000109.6L144 I146 V169 I176 V199L144-T201 VanDerWaalsContact CB-OG1 3.26Å; L144-T201 WeakPolarHBondContact CB-OG1 3.48Å; L144-T201 PolarHBondContact N-O 2.88Å; L144-T201 WeakPolarHBondContact O-CA 3.48Å; L144-T201 PolarHBondContact O-N 3.46Å; L144-T201 PolarHBondContact O-OG1 3.37Å; I146-T201 HydrophobicContact CD1-CG2 3.95Å; I146-T201 HydrophobicContact CG1-CG2 4.45Å; V169-T201 HydrophobicContact CB-CG2 3.64Å; V169-T201 HydrophobicContact CG1-CG2 3.92Å; V169-T201 HydrophobicContact CG2-CG2 3.72Å; I176-T201 WeakPolarHBondContact O-CA 3.37Å; V199-T201 HydrophobicContact CB-CG2 4.4Å; V199-T201 HydrophobicContact CG1-CG2 4.1Å
202I95.2Very high93Very high84 Ų8459.9 Ų59.943%0.43130%0.302SS..EExtended strand (participates in β ladder)trans-130120.9-176-52.6178.5000107.4T141 I142 Y143 I176 A204T141-I202 HydrophobicContact CG2-CG2 3.6Å; I142-I202 WeakPolarHBondContact O-CA 3.24Å; Y143-I202 HydrophobicContact CD1-CD1 4.26Å; Y143-I202 HydrophobicContact CD1-CG1 3.87Å; Y143-I202 HydrophobicContact CD1-CG2 4.29Å; Y143-I202 HydrophobicContact CE1-CD1 3.97Å; Y143-I202 HydrophobicContact CE1-CG1 4.03Å; Y143-I202 HydrophobicContact CE1-CG2 4.02Å; I176-I202 PolarHBondContact O-N 3.03Å; I202-A204 HydrophobicContact CG2-CB 4.15Å
203I94.3Very high92.9Very high2 Ų259.1 Ų59.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-105.1109.4172.2-54.8179.3000106.9I142 L144 I176 M207 M210 I224I142-I203 HydrophobicContact CB-CB 4.28Å; I142-I203 HydrophobicContact CD1-CB 4.43Å; I142-I203 PolarHBondContact N-O 2.86Å; I142-I203 PolarHBondContact O-N 3.4Å; L144-I203 HydrophobicContact CD1-CD1 3.76Å; L144-I203 HydrophobicContact CD1-CG1 4.02Å; I176-I203 HydrophobicContact CD1-CD1 4.27Å; I176-I203 HydrophobicContact CD1-CG1 3.92Å; I203-M207 HydrophobicContact CG2-CB 3.48Å; I203-M207 VanDerWaalsContact CG2-CB 3.48Å; I203-M207 WeakPolarHBondContact CG2-O 3.38Å; I203-M210 HydrophobicContact CG2-CB 3.92Å; I203-I224 HydrophobicContact CD1-CD1 3.76Å
204A92.4Very high92.8Very high30 Ų3055.7 Ų55.725%0.24828%0.281CS..  trans-142.9177.5-174.700000111.4T141 I202 E206 M207T141-A204 HydrophobicContact CG2-CB 4.03Å; I202-A204 HydrophobicContact CG2-CB 4.15Å; A204-E206 PolarHBondContact O-N 2.99Å; A204-M207 PolarHBondContact O-N 3.28Å
205E88.9Confident92.7Very high169 Ų16952.4 Ų52.479%0.7927%0.269SS*.G310 helixtrans57.7-115.1169.4-58.1175.7-174.800113M207 S208E205-M207 PolarHBondContact O-N 2.97Å; E205-M207 VanDerWaalsContact O-N 3.12Å; E205-S208 WeakPolarHBondContact O-CB 3.46Å; E205-S208 PolarHBondContact O-N 2.83Å; E205-S208 PolarHBondContact O-OG 2.99Å
206E87.9Confident92.6Very high167 Ų16755.3 Ų55.378%0.7829%0.285SS*.G310 helixtrans-60.2-21.6179.6-62-176.1173.200112.8A204 Y209A204-E206 PolarHBondContact O-N 2.99Å; E206-Y209 WeakPolarHBondContact O-CD1 3.26Å; E206-Y209 VanDerWaalsContact O-CE1 3.31Å; E206-Y209 WeakPolarHBondContact O-CE1 3.37Å
207M90.6Very high92.2Very high28 Ų2860 Ų6014%0.13831%0.308CS..G310 helixtrans-102.311.5178.7-56.1-63175.300113F171 I203 A204 E205 Y209 M210F171-M207 HydrophobicContact CD1-CE 4.38Å; F171-M207 HydrophobicContact CD1-CG 4.3Å; F171-M207 HydrophobicContact CD1-SD 3.86Å; F171-M207 HydrophobicContact CE1-SD 3.8Å; I203-M207 HydrophobicContact CG2-CB 3.48Å; I203-M207 VanDerWaalsContact CG2-CB 3.48Å; I203-M207 WeakPolarHBondContact CG2-O 3.38Å; A204-M207 PolarHBondContact O-N 3.28Å; E205-M207 PolarHBondContact O-N 2.97Å; E205-M207 VanDerWaalsContact O-N 3.12Å; M207-Y209 HydrophobicContact CB-CE1 4.5Å; M207-Y209 PolarHBondContact O-N 2.89Å; M207-Y209 HydrophobicContact SD-CE1 3.77Å; M207-Y209 PolarHBondContact SD-OH 3.33Å; M207-M210 VanDerWaalsContact O-CB 3.27Å; M207-M210 WeakPolarHBondContact O-CB 3.46Å; M207-M210 PolarHBondContact O-N 3.48Å
208S88.3Confident91.9Very high43 Ų4364.6 Ų64.630%0.30134%0.341SS..THydrogen-bonded Turntrans-60.3-23.8179.555.10000114E205 M210 Y211E205-S208 WeakPolarHBondContact O-CB 3.46Å; E205-S208 PolarHBondContact O-N 2.83Å; E205-S208 PolarHBondContact O-OG 2.99Å; S208-M210 PolarHBondContact O-N 3.24Å; S208-M210 VanDerWaalsContact O-N 3.11Å; S208-Y211 WeakPolarHBondContact O-CB 3.47Å; S208-Y211 PolarHBondContact O-N 2.88Å
209Y90.3Very high91.5Very high125 Ų12564.7 Ų64.749%0.4934%0.338SS..Hα-helixtrans-59.4-22.2173.466.7-89.5000112.9E206 M207 Y211 D212 F213E206-Y209 WeakPolarHBondContact O-CD1 3.26Å; E206-Y209 VanDerWaalsContact O-CE1 3.31Å; E206-Y209 WeakPolarHBondContact O-CE1 3.37Å; M207-Y209 HydrophobicContact CB-CE1 4.5Å; M207-Y209 PolarHBondContact O-N 2.89Å; M207-Y209 HydrophobicContact SD-CE1 3.77Å; M207-Y209 PolarHBondContact SD-OH 3.33Å; Y209-Y211 PolarHBondContact O-N 3.39Å; Y209-D212 PolarHBondContact O-N 2.94Å; Y209-F213 PolarHBondContact O-N 3.37Å
210M92.5Very high90.8Very high13 Ų1374.2 Ų74.26%0.06438%0.379CS..Hα-helixtrans-66.7-26.6175.6-147.659.355.500112.4I142 F171 I203 M207 S208 D212 F213 C214 I224I142-M210 HydrophobicContact CD1-CB 3.95Å; I142-M210 HydrophobicContact CD1-CG 4.24Å; F171-M210 HydrophobicContact CE1-CE 3.56Å; F171-M210 HydrophobicContact CE2-CE 4.23Å; F171-M210 HydrophobicContact CZ-CE 3.28Å; F171-M210 HydrophobicContact CZ-SD 4.37Å; I203-M210 HydrophobicContact CG2-CB 3.92Å; M207-M210 VanDerWaalsContact O-CB 3.27Å; M207-M210 WeakPolarHBondContact O-CB 3.46Å; M207-M210 PolarHBondContact O-N 3.48Å; S208-M210 PolarHBondContact O-N 3.24Å; S208-M210 VanDerWaalsContact O-N 3.11Å; M210-D212 VanDerWaalsContact C-N 3.32Å; M210-D212 PolarHBondContact O-N 3.43Å; M210-F213 PolarHBondContact O-N 2.92Å; M210-F213 HydrophobicContact SD-CB 4.36Å; M210-F213 HydrophobicContact SD-CD1 4.15Å; M210-C214 WeakPolarHBondContact O-CB 3.27Å; M210-C214 PolarHBondContact O-N 3.36Å; M210-C214 PolarHBondContact O-SG 2.91Å; M210-I224 HydrophobicContact CG-CG2 4.29Å; M210-I224 HydrophobicContact SD-CG2 4.05Å
211Y93.4Very high90.3Very high27 Ų2775.1 Ų75.111%0.10638%0.383CS..Hα-helixtrans-58-46.1174.6176.6-86000111.4Y135 R140 I142 S208 Y209 F213 C214 T215Y135-Y211 HydrophobicContact CD1-CD2 4.44Å; Y135-Y211 HydrophobicContact CD1-CE2 4.35Å; R140-Y211 HydrophobicContact CB-CD1 4.18Å; R140-Y211 HydrophobicContact CB-CD2 4.36Å; R140-Y211 HydrophobicContact CB-CG 3.95Å; R140-Y211 HydrophobicContact CG-CD1 4.17Å; R140-Y211 HydrophobicContact CG-CG 4.44Å; I142-Y211 HydrophobicContact CG1-CD2 4.35Å; S208-Y211 WeakPolarHBondContact O-CB 3.47Å; S208-Y211 PolarHBondContact O-N 2.88Å; Y209-Y211 PolarHBondContact O-N 3.39Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 3.33Å; Y211-C214 PolarHBondContact O-N 2.92Å; Y211-T215 HydrophobicContact CD2-CG2 4.44Å; Y211-T215 HydrophobicContact CE1-CG2 4.17Å; Y211-T215 HydrophobicContact CE2-CG2 4.11Å; Y211-T215 WeakPolarHBondContact O-CB 3.28Å; Y211-T215 WeakPolarHBondContact O-CG2 3.13Å; Y211-T215 PolarHBondContact O-N 3.39Å; Y211-T215 PolarHBondContact O-OG1 2.9Å
212D91.8Very high90.1Very high71 Ų7176 Ų7638%0.3839%0.387SS..Hα-helixtrans-64.6-39.6180-66.7-33000110.3R140 Y209 M210 L216R140-D212 IonicContact CZ-OD1 3.03Å; R140-D212 IonicContact NH1-OD1 2.61Å; R140-D212 PolarHBondContact NH1-OD1 3.48Å; R140-D212 IonicContact NH1-OD2 3.78Å; R140-D212 PolarHBondContact NH1-OD2 3.3Å; Y209-D212 PolarHBondContact O-N 2.94Å; M210-D212 VanDerWaalsContact C-N 3.32Å; M210-D212 PolarHBondContact O-N 3.43Å; D212-L216 VanDerWaalsContact O-CB 3.28Å; D212-L216 WeakPolarHBondContact O-CB 3.47Å; D212-L216 PolarHBondContact O-N 3.16Å
213F92.2Very high89.9Confident72 Ų7275.4 Ų75.432%0.31639%0.385SS..Hα-helixtrans-61.7-54.8173.7176.1-103.8000111.7Y209 M210 Y211 T215 L216 I219 H222 I224Y209-F213 PolarHBondContact O-N 3.37Å; M210-F213 PolarHBondContact O-N 2.92Å; M210-F213 HydrophobicContact SD-CB 4.36Å; M210-F213 HydrophobicContact SD-CD1 4.15Å; Y211-F213 VanDerWaalsContact C-N 3.31Å; Y211-F213 PolarHBondContact O-N 3.33Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.9Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 3.5Å; F213-L216 VanDerWaalsContact O-N 3.15Å; F213-I219 HydrophobicContact CD2-CD1 4.47Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; F213-H222 HydrophobicContact CE1-CB 4.31Å; F213-H222 PolarHBondContact O-CD2 2.84Å; F213-H222 PolarHBondContact O-NE2 3.06Å; F213-I224 HydrophobicContact CD1-CG2 4.26Å; F213-I224 HydrophobicContact CE1-CG2 4.04Å
214C91.9Very high89.8Confident2 Ų275.6 Ų75.61%0.01439%0.386CS..Hα-helixtrans-65.5-25.1-174.6-63.60000113.8Y135 I142 M210 Y211 C253 G254Y135-C214 HydrophobicContact CE1-CB 4.11Å; I142-C214 HydrophobicContact CD1-CB 3.99Å; I142-C214 WeakPolarHBondContact CD1-SG 3.1Å; M210-C214 WeakPolarHBondContact O-CB 3.27Å; M210-C214 PolarHBondContact O-N 3.36Å; M210-C214 PolarHBondContact O-SG 2.91Å; Y211-C214 PolarHBondContact O-N 2.92Å; C214-C253 HydrophobicContact CB-CB 3.92Å; C214-C253 WeakPolarHBondContact CB-O 3.15Å; C214-C253 WeakPolarHBondContact CB-SG 3.36Å; C214-C253 WeakPolarHBondContact SG-CB 3.26Å; C214-C253 CovalentContact SG-SG 2.03Å; C214-C253 PolarHBondContact SG-SG 3.49Å; C214-G254 WeakPolarHBondContact O-CA 3.47Å
215T91.8Very high89.9Confident51 Ų5177 Ų7731%0.31339%0.392SS..THydrogen-bonded Turntrans-98.8-0.5178.360.40000113.5Y135 Y211 F213 I217Y135-T215 HydrophobicContact CD1-CG2 3.97Å; Y135-T215 HydrophobicContact CE1-CG2 3.91Å; Y135-T215 HydrophobicContact CG-CG2 4.42Å; Y211-T215 HydrophobicContact CD2-CG2 4.44Å; Y211-T215 HydrophobicContact CE1-CG2 4.17Å; Y211-T215 HydrophobicContact CE2-CG2 4.11Å; Y211-T215 WeakPolarHBondContact O-CB 3.28Å; Y211-T215 WeakPolarHBondContact O-CG2 3.13Å; Y211-T215 PolarHBondContact O-N 3.39Å; Y211-T215 PolarHBondContact O-OG1 2.9Å; F213-T215 VanDerWaalsContact C-N 3.25Å; F213-T215 PolarHBondContact O-N 2.9Å; T215-I217 PolarHBondContact O-N 3.43Å
216L90.9Very high90.2Very high74 Ų7469 Ų6939%0.38735%0.354SS..  trans-70.2113.3-173.2-161.663.7000112.1D212 F213 S218 I219 H222D212-L216 VanDerWaalsContact O-CB 3.28Å; D212-L216 WeakPolarHBondContact O-CB 3.47Å; D212-L216 PolarHBondContact O-N 3.16Å; F213-L216 WeakPolarHBondContact O-CB 3.46Å; F213-L216 PolarHBondContact O-N 3.5Å; F213-L216 VanDerWaalsContact O-N 3.15Å; L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 WeakPolarHBondContact CD2-OG 3.49Å; L216-S218 WeakPolarHBondContact CG-OG 3.36Å; L216-S218 PolarHBondContact O-N 2.89Å; L216-I219 HydrophobicContact CD2-CD1 3.82Å; L216-I219 HydrophobicContact CD2-CG1 4.02Å; L216-I219 PolarHBondContact O-N 3.28Å; L216-H222 PolarHBondContact O-NE2 3.49Å
217I86.6Confident90.5Very high166 Ų16662.1 Ų62.185%0.85132%0.322SS*.THydrogen-bonded Turntrans-68.1-25.9-176.4-55.9167.4000112.4T215 I219T215-I217 PolarHBondContact O-N 3.43Å; I217-I219 PolarHBondContact O-N 3.03Å
218S87.3Confident90.7Very high99 Ų9961 Ų6169%0.69232%0.317SS*.THydrogen-bonded Turntrans-69.2-21.3-179.262.40000113.1L216L216-S218 VanDerWaalsContact C-N 3.27Å; L216-S218 WeakPolarHBondContact CD2-OG 3.49Å; L216-S218 WeakPolarHBondContact CG-OG 3.36Å; L216-S218 PolarHBondContact O-N 2.89Å
219I85.1Confident91.1Very high67 Ų6761.3 Ų61.334%0.34431%0.313SS..  trans-108.7130.7178.8-55.6178.7000107.8F213 L216 I217 V221 H222F213-I219 HydrophobicContact CD2-CD1 4.47Å; F213-I219 HydrophobicContact CE2-CD1 4.18Å; L216-I219 HydrophobicContact CD2-CD1 3.82Å; L216-I219 HydrophobicContact CD2-CG1 4.02Å; L216-I219 PolarHBondContact O-N 3.28Å; I217-I219 PolarHBondContact O-N 3.03Å; I219-V221 WeakPolarHBondContact CG2-O 3.41Å; I219-H222 PolarHBondContact O-CE1 3.41Å; I219-H222 PolarHBondContact O-NE2 3Å; I219-H222 VanDerWaalsContact O-NE2 3.1Å
220K82.8Confident91.3Very high199 Ų19955.4 Ų55.487%0.86529%0.291SS*.SBendtrans-88.5-11.6179.6-67.1-174.2178.4-179.40113.9
221V87.1Confident91.5Very high86 Ų8656 Ų5652%0.52130%0.295SS..  trans-128.6116.7-173.3-177.10000109.1I219 N223I219-V221 WeakPolarHBondContact CG2-O 3.41Å; V221-N223 HydrophobicContact CG1-CB 4.38Å; V221-N223 VanDerWaalsContact CG1-ND2 3.25Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.29Å
222H90.8Very high91.6Very high20 Ų2054.8 Ų54.89%0.09329%0.29CS..  trans-116.553.6-174.7-55.9100.6000110.8F213 L216 I219 C253F213-H222 HydrophobicContact CE1-CB 4.31Å; F213-H222 PolarHBondContact O-CD2 2.84Å; F213-H222 PolarHBondContact O-NE2 3.06Å; L216-H222 PolarHBondContact O-NE2 3.49Å; I219-H222 PolarHBondContact O-CE1 3.41Å; I219-H222 PolarHBondContact O-NE2 3Å; I219-H222 VanDerWaalsContact O-NE2 3.1Å; H222-C253 PolarHBondContact O-N 3.01Å; H222-C253 PolarHBondContact O-SG 2.98Å
223N91.4Very high91.8Very high72 Ų7251.8 Ų51.839%0.38528%0.275SS..EExtended strand (participates in β ladder)trans-82.1122.9-178.7-69.7-29.8000111.2V221 Y250 V251 D252V221-N223 HydrophobicContact CG1-CB 4.38Å; V221-N223 VanDerWaalsContact CG1-ND2 3.25Å; V221-N223 WeakPolarHBondContact CG1-ND2 3.29Å; N223-Y250 HydrophobicContact CB-CD1 4.4Å; N223-V251 CarbonylContact C-O 3.57Å; N223-V251 WeakPolarHBondContact CA-O 3.04Å; N223-D252 WeakPolarHBondContact OD1-CA 3.27Å; N223-D252 WeakPolarHBondContact OD1-CB 3.09Å
224I92.8Very high91.8Very high7 Ų748.5 Ų48.54%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-107.2147.4171.560.4171.5000110.2L144 I203 M210 F213 L226 Y250 V251 C253L144-I224 HydrophobicContact CD2-CD1 4.41Å; I203-I224 HydrophobicContact CD1-CD1 3.76Å; M210-I224 HydrophobicContact CG-CG2 4.29Å; M210-I224 HydrophobicContact SD-CG2 4.05Å; F213-I224 HydrophobicContact CD1-CG2 4.26Å; F213-I224 HydrophobicContact CE1-CG2 4.04Å; I224-L226 HydrophobicContact CD1-CD1 4.24Å; I224-L226 HydrophobicContact CD1-CD2 3.97Å; I224-L226 HydrophobicContact CD1-CG 4.22Å; I224-L226 HydrophobicContact CG1-CD2 4.4Å; I224-L226 HydrophobicContact CG1-CG 4.28Å; I224-Y250 CarbonylContact O-C 3.56Å; I224-Y250 WeakPolarHBondContact O-CA 3.29Å; I224-V251 HydrophobicContact CG1-CB 4.48Å; I224-V251 WeakPolarHBondContact CG1-O 3.42Å; I224-V251 PolarHBondContact N-O 3.2Å; I224-V251 PolarHBondContact O-N 3.45Å; I224-C253 HydrophobicContact CD1-CB 4.14Å; I224-C253 HydrophobicContact CG1-CB 4.32Å
225V93.4Very high91.9Very high60 Ų6049.6 Ų49.636%0.36427%0.267SS..EExtended strand (participates in β ladder)trans-93.3122.5175.8-179.30000109.2F171 Y248 Y250F171-V225 WeakPolarHBondContact CD2-O 3.47Å; V225-Y248 HydrophobicContact CG1-CD1 4Å; V225-Y250 HydrophobicContact CG2-CD1 3.57Å; V225-Y250 HydrophobicContact CG2-CE1 3.23Å; V225-Y250 HydrophobicContact CG2-CG 4.43Å
226L94.7Very high91.9Very high0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-117.2142.8176.7-59.4178.7000109.8I146 V169 F171 I176 I224 M228 Y248 Q249 V251I146-L226 HydrophobicContact CD1-CD1 3.37Å; V169-L226 HydrophobicContact CG1-CB 3.96Å; V169-L226 HydrophobicContact CG1-CD1 3.9Å; V169-L226 HydrophobicContact CG1-CD2 4.35Å; V169-L226 HydrophobicContact CG1-CG 4.29Å; F171-L226 HydrophobicContact CB-CD2 3.97Å; F171-L226 HydrophobicContact CD2-CD2 3.88Å; F171-L226 HydrophobicContact CG-CD2 4.37Å; I176-L226 HydrophobicContact CD1-CD2 3.77Å; I224-L226 HydrophobicContact CD1-CD1 4.24Å; I224-L226 HydrophobicContact CD1-CD2 3.97Å; I224-L226 HydrophobicContact CD1-CG 4.22Å; I224-L226 HydrophobicContact CG1-CD2 4.4Å; I224-L226 HydrophobicContact CG1-CG 4.28Å; L226-M228 HydrophobicContact CB-SD 4.39Å; L226-Y248 CarbonylContact O-C 3.58Å; L226-Y248 WeakPolarHBondContact O-CA 3.47Å; L226-Q249 PolarHBondContact N-O 2.77Å; L226-Q249 PolarHBondContact O-N 3.4Å; L226-V251 HydrophobicContact CD1-CB 4.04Å; L226-V251 HydrophobicContact CD1-CG2 3.93Å
227M95Very high91.8Very high23 Ų2351.7 Ų51.711%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-93112.8169.4-168173.278.400108.7Q170 Y248Q170-M227 HydrophobicContact CB-CB 4.24Å; Q170-M227 HydrophobicContact CB-CE 4.25Å; Q170-M227 HydrophobicContact CG-CE 4.04Å; Q170-M227 PolarHBondContact N-O 3.29Å; Q170-M227 PolarHBondContact O-N 2.81Å; M227-Y248 HydrophobicContact CB-CD1 3.9Å; M227-Y248 HydrophobicContact CB-CE1 3.69Å; M227-Y248 HydrophobicContact CG-CD1 4.16Å; M227-Y248 HydrophobicContact CG-CE1 3.82Å; M227-Y248 HydrophobicContact SD-CE1 3.87Å; M227-Y248 HydrophobicContact SD-CE2 4.45Å; M227-Y248 PolarHBondContact SD-OH 2.89Å
228M94.6Very high91.8Very high3 Ų347.7 Ų47.72%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-88.4119.3174.6-54-57.2-61.700107.6Y125 I146 N148 V169 L226 E246 R247 Q249Y125-M228 HydrophobicContact CE2-CB 4.23Å; Y125-M228 HydrophobicContact CE2-CG 4.48Å; I146-M228 HydrophobicContact CG2-CE 4.42Å; N148-M228 WeakPolarHBondContact ND2-CE 3.39Å; V169-M228 HydrophobicContact CB-SD 4.36Å; V169-M228 HydrophobicContact CG1-SD 3.92Å; V169-M228 HydrophobicContact CG2-CE 3.46Å; V169-M228 VanDerWaalsContact CG2-CE 3.46Å; V169-M228 HydrophobicContact CG2-SD 3.69Å; L226-M228 HydrophobicContact CB-SD 4.39Å; M228-E246 CarbonylContact O-C 3.56Å; M228-E246 VanDerWaalsContact O-CA 3.25Å; M228-E246 WeakPolarHBondContact O-CA 3.42Å; M228-R247 PolarHBondContact N-O 2.92Å; M228-R247 PolarHBondContact O-N 3.03Å; M228-Q249 HydrophobicContact CG-CB 4.17Å
229Q95.8Very high91.9Very high50 Ų5049.1 Ų49.123%0.23426%0.263CS..EExtended strand (participates in β ladder)trans-118.3128.9174.2-173.8-178.717.600108.5A167 Q168 Q245A167-Q229 CarbonylContact C-O 3.48Å; A167-Q229 WeakPolarHBondContact CA-O 3.23Å; Q168-Q229 HydrophobicContact CB-CB 4.43Å; Q168-Q229 PolarHBondContact N-O 2.84Å; Q168-Q229 PolarHBondContact O-N 3.4Å; Q229-Q245 WeakPolarHBondContact CA-O 3.28Å
230V95.7Very high92.2Very high2 Ų249.7 Ų49.71%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-133.4136.2-18064.70000109.7L150 I165 T166 A167 S244 Q245L150-V230 HydrophobicContact CD1-CG2 3.67Å; L150-V230 HydrophobicContact CD2-CG1 3.9Å; L150-V230 HydrophobicContact CD2-CG2 4.35Å; I165-V230 HydrophobicContact CG2-CG2 3.6Å; T166-V230 CarbonylContact O-C 3.58Å; T166-V230 WeakPolarHBondContact O-CA 3.49Å; A167-V230 HydrophobicContact CB-CG2 4.49Å; V230-S244 CarbonylContact O-C 3.53Å; V230-S244 VanDerWaalsContact O-CA 3.24Å; V230-S244 WeakPolarHBondContact O-CA 3.45Å; V230-Q245 HydrophobicContact CG1-CB 3.95Å; V230-Q245 PolarHBondContact N-O 3.46Å; V230-Q245 PolarHBondContact O-N 2.9Å
231T95.9Very high92.6Very high26 Ų2643.1 Ų43.116%0.1625%0.246CC..EExtended strand (participates in β ladder)trans-124120.4173.9-54.10000108.2I165 T166 Q242 I243 S244I165-T231 WeakPolarHBondContact CA-O 3.5Å; T166-T231 PolarHBondContact N-O 3.23Å; T166-T231 PolarHBondContact O-N 3.4Å; T166-T231 WeakPolarHBondContact OG1-CB 3.5Å; T166-T231 PolarHBondContact OG1-O 2.79Å; T231-Q242 HydrophobicContact CG2-CB 4.27Å; T231-I243 CarbonylContact C-O 3.55Å; T231-I243 WeakPolarHBondContact CA-O 3.31Å; T231-S244 WeakPolarHBondContact OG1-CB 3.22Å
232V95.6Very high93Very high1 Ų145.7 Ų45.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-99.1127175.6-176.90000107.7V123 L150 I152 V162 I165 T234 Q242 I243V123-V232 HydrophobicContact CG1-CG2 3.76Å; V123-V232 HydrophobicContact CG2-CB 4.1Å; V123-V232 HydrophobicContact CG2-CG2 3.93Å; L150-V232 HydrophobicContact CD1-CG2 4.35Å; I152-V232 HydrophobicContact CD1-CG1 3.82Å; I152-V232 HydrophobicContact CD1-CG2 4.16Å; V162-V232 HydrophobicContact CG1-CG1 4.03Å; I165-V232 HydrophobicContact CD1-CG2 4.39Å; I165-V232 HydrophobicContact CG1-CB 4.46Å; I165-V232 HydrophobicContact CG1-CG1 4.16Å; I165-V232 HydrophobicContact CG1-CG2 4.14Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; V232-Q242 WeakPolarHBondContact O-CA 3.45Å; V232-I243 PolarHBondContact N-O 3.07Å; V232-I243 PolarHBondContact O-N 2.77Å
233T95.6Very high93.2Very high8 Ų846.3 Ų46.35%0.04926%0.256CS..EExtended strand (participates in β ladder)trans-104.4120.3171-49.90000108.7E163 N164 E241 Q242E163-T233 HydrophobicContact CB-CG2 4.48Å; E163-T233 PolarHBondContact N-O 3.34Å; N164-T233 PolarHBondContact N-O 3.38Å; N164-T233 PolarHBondContact O-N 3.44Å; N164-T233 WeakPolarHBondContact OD1-CB 3.32Å; N164-T233 PolarHBondContact OD1-OG1 3.12Å; T233-E241 WeakPolarHBondContact CA-O 3.48Å; T233-Q242 HydrophobicContact CG2-CG 3.85Å
234T94Very high93.3Very high2 Ų246.7 Ų46.71%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-116.9144.4178.551.50000110.9I121 V160 E161 V162 V232 S240 E241I121-T234 HydrophobicContact CD1-CG2 4.33Å; I121-T234 WeakPolarHBondContact CD1-OG1 3.37Å; V160-T234 HydrophobicContact CG1-CG2 4.12Å; E161-T234 CarbonylContact O-C 3.59Å; E161-T234 VanDerWaalsContact O-CA 3.24Å; E161-T234 WeakPolarHBondContact O-CA 3.06Å; V162-T234 HydrophobicContact CG2-CG2 4.27Å; V232-T234 HydrophobicContact CG1-CG2 3.9Å; T234-S240 CarbonylContact O-C 3.59Å; T234-S240 WeakPolarHBondContact O-CA 3.45Å; T234-E241 PolarHBondContact N-O 2.91Å; T234-E241 PolarHBondContact O-N 3.05Å
235T93.7Very high93.4Very high25 Ų2550.2 Ų50.215%0.15328%0.28CS..EExtended strand (participates in β ladder)trans-122.1137.6-18049.80000111.2E161 E163 H239 S240E161-T235 WeakPolarHBondContact CB-OG1 3.4Å; E161-T235 PolarHBondContact N-O 3.11Å; E161-T235 PolarHBondContact O-N 3.48Å; E161-T235 PolarHBondContact O-OG1 3.04Å; E163-T235 HydrophobicContact CB-CG2 4.09Å; E163-T235 WeakPolarHBondContact OE2-CG2 3.46Å; T235-H239 CarbonylContact C-O 3.57Å; T235-H239 VanDerWaalsContact CA-O 3.26Å; T235-H239 WeakPolarHBondContact CA-O 3.27Å; T235-S240 WeakPolarHBondContact CG2-OG 3.09Å
236Y91.8Very high93.4Very high36 Ų3652.8 Ų52.814%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-154.4138.6174.956.5-92.8000110.2P118 I121 Y158 V160 G238 H239 E241P118-Y236 HydrophobicContact CB-CE2 4.09Å; I121-Y236 HydrophobicContact CD1-CD1 4.36Å; I121-Y236 HydrophobicContact CD1-CE1 4.21Å; Y158-Y236 AromaticContact CE2-CD2 3.74Å; Y158-Y236 HydrophobicContact CE2-CD2 3.74Å; Y158-Y236 AromaticContact CE2-CG 3.75Å; Y158-Y236 HydrophobicContact CE2-CG 3.75Å; Y158-Y236 AromaticContact CZ-CD2 3.93Å; Y158-Y236 WeakPolarHBondContact OH-CD2 3.4Å; Y158-Y236 WeakPolarHBondContact OH-CE2 3.28Å; V160-Y236 HydrophobicContact CG1-CD1 4.25Å; V160-Y236 HydrophobicContact CG2-CD1 4.4Å; Y236-G238 PolarHBondContact O-N 2.96Å; Y236-H239 HydrophobicContact CE2-CB 4.36Å; Y236-H239 PolarHBondContact N-O 2.99Å; Y236-H239 WeakPolarHBondContact O-CA 3.46Å; Y236-H239 WeakPolarHBondContact O-CB 3.33Å; Y236-H239 PolarHBondContact O-N 3.21Å; Y236-E241 HydrophobicContact CE1-CB 4.14Å; Y236-E241 PolarHBondContact OH-OE2 3.35Å
237F88.9Confident93.4Very high133 Ų13356.9 Ų56.958%0.58330%0.304SS*.THydrogen-bonded Turntrans47.731.8-178.5-58.9-57.9000115.2L116 Y158 H239L116-F237 HydrophobicContact CD2-CE2 4.28Å; L116-F237 HydrophobicContact CD2-CZ 3.94Å; Y158-F237 AromaticContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CE2 3.53Å; Y158-F237 HydrophobicContact CD1-CZ 4.04Å; Y158-F237 HydrophobicContact CD2-CD2 4.32Å; Y158-F237 AromaticContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CE2 3.66Å; Y158-F237 HydrophobicContact CD2-CZ 4.17Å; Y158-F237 HydrophobicContact CE1-CD2 4.41Å; Y158-F237 AromaticContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE1-CE2 3.64Å; Y158-F237 HydrophobicContact CE2-CD2 4.11Å; Y158-F237 AromaticContact CE2-CE2 3.79Å; Y158-F237 HydrophobicContact CE2-CE2 3.79Å; Y158-F237 AromaticContact CG-CE2 3.52Å; Y158-F237 HydrophobicContact CG-CE2 3.52Å; Y158-F237 AromaticContact CG-CZ 3.79Å; Y158-F237 HydrophobicContact CG-CZ 3.79Å; Y158-F237 AromaticContact CZ-CE2 3.76Å; F237-H239 PolarHBondContact O-N 3.44Å
238G85.6Confident93.3Very high82 Ų8263.3 Ų63.385%0.84533%0.328SS*.THydrogen-bonded Turntrans77.81.7-177.200000115.2Y236Y236-G238 PolarHBondContact O-N 2.96Å
239H88.8Confident93.1Very high129 Ų12965 Ų6560%0.59734%0.336SS*.EExtended strand (participates in β ladder)trans-94.8142.9168.6-68.9-75.3000110.6T235 Y236 F237T235-H239 CarbonylContact C-O 3.57Å; T235-H239 VanDerWaalsContact CA-O 3.26Å; T235-H239 WeakPolarHBondContact CA-O 3.27Å; Y236-H239 HydrophobicContact CE2-CB 4.36Å; Y236-H239 PolarHBondContact N-O 2.99Å; Y236-H239 WeakPolarHBondContact O-CA 3.46Å; Y236-H239 WeakPolarHBondContact O-CB 3.33Å; Y236-H239 PolarHBondContact O-N 3.21Å; F237-H239 PolarHBondContact O-N 3.44Å
240S91.9Very high92.9Very high80 Ų8069.2 Ų69.256%0.55935%0.351SS*.EExtended strand (participates in β ladder)trans-112.1132.3172.7-51.60000109.6T234 T235T234-S240 CarbonylContact O-C 3.59Å; T234-S240 WeakPolarHBondContact O-CA 3.45Å; T235-S240 WeakPolarHBondContact CG2-OG 3.09Å
241E91.8Very high92.8Very high61 Ų6169.2 Ų69.229%0.28535%0.35SS..EExtended strand (participates in β ladder)trans-117.7143.3173.8-174.4176.9-173.300109.1T233 T234 Y236 I243T233-E241 WeakPolarHBondContact CA-O 3.48Å; T234-E241 PolarHBondContact N-O 2.91Å; T234-E241 PolarHBondContact O-N 3.05Å; Y236-E241 HydrophobicContact CE1-CB 4.14Å; Y236-E241 PolarHBondContact OH-OE2 3.35Å; E241-I243 HydrophobicContact CG-CG1 4.25Å
242Q94.6Very high92.6Very high139 Ų13969.2 Ų69.265%0.6535%0.35SS*.EExtended strand (participates in β ladder)trans-122.6127.2177.3-71.5-178.748.900110.1T231 V232 T233T231-Q242 HydrophobicContact CG2-CB 4.27Å; V232-Q242 WeakPolarHBondContact O-CA 3.45Å; T233-Q242 HydrophobicContact CG2-CG 3.85Å
243I94.5Very high92.5Very high34 Ų3469.2 Ų69.217%0.17435%0.349CS..EExtended strand (participates in β ladder)trans-123.9121.3-178.9-56.7-179.4000107.8I121 V123 T231 V232 E241I121-I243 HydrophobicContact CB-CD1 3.88Å; I121-I243 HydrophobicContact CG2-CD1 4.34Å; I121-I243 WeakPolarHBondContact O-CD1 3.45Å; V123-I243 HydrophobicContact CB-CG2 4.17Å; V123-I243 HydrophobicContact CG2-CB 4.17Å; V123-I243 HydrophobicContact CG2-CG2 3.99Å; T231-I243 CarbonylContact C-O 3.55Å; T231-I243 WeakPolarHBondContact CA-O 3.31Å; V232-I243 PolarHBondContact N-O 3.07Å; V232-I243 PolarHBondContact O-N 2.77Å; E241-I243 HydrophobicContact CG-CG1 4.25Å
244S94.3Very high92.1Very high79 Ų7969.9 Ų69.955%0.55236%0.358SS*.EExtended strand (participates in β ladder)trans-109.1139.7178.857.60000111.5V230 T231V230-S244 CarbonylContact O-C 3.53Å; V230-S244 VanDerWaalsContact O-CA 3.24Å; V230-S244 WeakPolarHBondContact O-CA 3.45Å; T231-S244 WeakPolarHBondContact OG1-CB 3.22Å
245Q94.4Very high91.7Very high81 Ų8178.2 Ų78.238%0.37939%0.389SS..EExtended strand (participates in β ladder)trans-131.2138.6176.2-17266.348.900109Q229 V230Q229-Q245 WeakPolarHBondContact CA-O 3.28Å; V230-Q245 HydrophobicContact CG1-CB 3.95Å; V230-Q245 PolarHBondContact N-O 3.46Å; V230-Q245 PolarHBondContact O-N 2.9Å
246E94.1Very high91.1Very high114 Ų11482 Ų8253%0.53341%0.408SS..EExtended strand (participates in β ladder)trans-124.1146.1172.261.6-174.9-165.200111.1M228M228-E246 CarbonylContact O-C 3.56Å; M228-E246 VanDerWaalsContact O-CA 3.25Å; M228-E246 WeakPolarHBondContact O-CA 3.42Å
247R93.7Very high90.7Very high87 Ų8782.7 Ų82.733%0.32842%0.417SS..EExtended strand (participates in β ladder)trans-154.4138.9176.6-156.8174.6-161.7174-1.2111.1Y125 M228Y125-R247 HydrophobicContact CD1-CB 4.15Å; Y125-R247 HydrophobicContact CD1-CG 4.33Å; Y125-R247 HydrophobicContact CE1-CB 4.47Å; Y125-R247 PolarHBondContact O-NH1 2.87Å; M228-R247 PolarHBondContact N-O 2.92Å; M228-R247 PolarHBondContact O-N 3.03Å
248Y93.2Very high90.4Very high158 Ų15877.3 Ų77.362%0.6239%0.394SS*.EExtended strand (participates in β ladder)trans-82.5134168.9-66.4-81.1000110.4V225 L226 M227V225-Y248 HydrophobicContact CG1-CD1 4Å; L226-Y248 CarbonylContact O-C 3.58Å; L226-Y248 WeakPolarHBondContact O-CA 3.47Å; M227-Y248 HydrophobicContact CB-CD1 3.9Å; M227-Y248 HydrophobicContact CB-CE1 3.69Å; M227-Y248 HydrophobicContact CG-CD1 4.16Å; M227-Y248 HydrophobicContact CG-CE1 3.82Å; M227-Y248 HydrophobicContact SD-CE1 3.87Å; M227-Y248 HydrophobicContact SD-CE2 4.45Å; M227-Y248 PolarHBondContact SD-OH 2.89Å
249Q91.4Very high90.1Very high39 Ų3982.1 Ų82.118%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-136.8141.5-179.8-168.563.636.800110.7V128 L226 M228V128-Q249 HydrophobicContact CB-CG 4.41Å; V128-Q249 HydrophobicContact CG2-CG 3.58Å; L226-Q249 PolarHBondContact N-O 2.77Å; L226-Q249 PolarHBondContact O-N 3.4Å; M228-Q249 HydrophobicContact CG-CB 4.17Å
250Y91.8Very high89.1Confident138 Ų13878.6 Ų78.654%0.54137%0.372SS..EExtended strand (participates in β ladder)trans-82.8129.6171.1-66.8-88000109.7N223 I224 V225 Q260N223-Y250 HydrophobicContact CB-CD1 4.4Å; I224-Y250 CarbonylContact O-C 3.56Å; I224-Y250 WeakPolarHBondContact O-CA 3.29Å; V225-Y250 HydrophobicContact CG2-CD1 3.57Å; V225-Y250 HydrophobicContact CG2-CE1 3.23Å; V225-Y250 HydrophobicContact CG2-CG 4.43Å; Y250-Q260 PolarHBondContact O-NE2 3.46Å; Y250-Q260 PolarHBondContact O-OE1 3.16Å
251V93Very high87.4Confident1 Ų182.5 Ų82.51%0.00639%0.386CS..EExtended strand (participates in β ladder)trans-126.1130.7176176.50000108.6V128 A131 L144 I146 N223 I224 L226 C253V128-V251 HydrophobicContact CG2-CG2 4.19Å; A131-V251 HydrophobicContact CB-CG1 3.56Å; L144-V251 HydrophobicContact CD2-CG1 4.1Å; I146-V251 HydrophobicContact CD1-CG1 4.44Å; I146-V251 HydrophobicContact CD1-CG2 4.34Å; N223-V251 CarbonylContact C-O 3.57Å; N223-V251 WeakPolarHBondContact CA-O 3.04Å; I224-V251 HydrophobicContact CG1-CB 4.48Å; I224-V251 WeakPolarHBondContact CG1-O 3.42Å; I224-V251 PolarHBondContact N-O 3.2Å; I224-V251 PolarHBondContact O-N 3.45Å; L226-V251 HydrophobicContact CD1-CB 4.04Å; L226-V251 HydrophobicContact CD1-CG2 3.93Å; V251-C253 PolarHBondContact O-N 2.81Å
252D92.2Very high85.3Confident27 Ų2782 Ų8214%0.14440%0.398CS..EExtended strand (participates in β ladder)trans-77.6118.4174.5-177.52.7000109N223 G254 T258N223-D252 WeakPolarHBondContact OD1-CA 3.27Å; N223-D252 WeakPolarHBondContact OD1-CB 3.09Å; D252-G254 PolarHBondContact OD1-N 2.97Å; D252-T258 HydrophobicContact CB-CG2 3.63Å; D252-T258 WeakPolarHBondContact OD2-CG2 3.42Å
253C92.4Very high82.7Confident0 Ų082.8 Ų82.80%040%0.401CS..SBendtrans-97.53177.569.90000113.4V133 Y135 L144 C214 H222 I224 V251V133-C253 WeakPolarHBondContact CG1-O 3.48Å; Y135-C253 PolarHBondContact OH-O 3.31Å; L144-C253 HydrophobicContact CD2-CB 4.03Å; C214-C253 HydrophobicContact CB-CB 3.92Å; C214-C253 WeakPolarHBondContact CB-O 3.15Å; C214-C253 WeakPolarHBondContact CB-SG 3.36Å; C214-C253 WeakPolarHBondContact SG-CB 3.26Å; C214-C253 CovalentContact SG-SG 2.03Å; C214-C253 PolarHBondContact SG-SG 3.49Å; H222-C253 PolarHBondContact O-N 3.01Å; H222-C253 PolarHBondContact O-SG 2.98Å; I224-C253 HydrophobicContact CD1-CB 4.14Å; I224-C253 HydrophobicContact CG1-CB 4.32Å; V251-C253 PolarHBondContact O-N 2.81Å
254G88.9Confident80.4Confident22 Ų2284.8 Ų84.823%0.22742%0.418CS..SBendtrans-97.1-34.3-17500000114.1Y135 C214 D252Y135-G254 VanDerWaalsContact OH-C 3.25Å; Y135-G254 WeakPolarHBondContact OH-CA 3.32Å; Y135-G254 PolarHBondContact OH-O 2.83Å; C214-G254 WeakPolarHBondContact O-CA 3.47Å; D252-G254 PolarHBondContact OD1-N 2.97Å
255R84.6Confident77.7Confident177 Ų17789 Ų8967%0.66843%0.429SS*.SBendtrans-98140-175.7-163.2172.7-170.4154.71.2111.9V133 T257 T258V133-R255 WeakPolarHBondContact CG2-O 3.19Å; R255-T257 VanDerWaalsContact C-N 3.29Å; R255-T257 PolarHBondContact O-N 2.99Å; R255-T258 HydrophobicContact CB-CG2 3.91Å
256N81.5Confident75Confident105 Ų10594.1 Ų94.156%0.56145%0.446SS*.SBendtrans-51.5-43.1-177.4-66.32.1000114Y132 V133Y132-N256 CarbonylContact C-O 3.52Å; Y132-N256 VanDerWaalsContact CA-O 3.32Å; Y132-N256 WeakPolarHBondContact CA-O 3.41Å; Y132-N256 WeakPolarHBondContact CD2-O 3.49Å; V133-N256 PolarHBondContact N-O 2.72Å
257T83.4Confident72.4Confident51 Ų5195.9 Ų95.931%0.31346%0.458SS..EExtended strand (participates in β ladder)trans-139.8128.8174.4-46.20000109.1A131 R255 Y259A131-T257 WeakPolarHBondContact O-CA 3.32Å; R255-T257 VanDerWaalsContact C-N 3.29Å; R255-T257 PolarHBondContact O-N 2.99Å; T257-Y259 HydrophobicContact CG2-CD2 4.39Å; T257-Y259 HydrophobicContact CG2-CE1 4.39Å; T257-Y259 HydrophobicContact CG2-CE2 3.79Å
258T83.1Confident69.5Low19 Ų1999.4 Ų99.412%0.11748%0.484CS..EExtended strand (participates in β ladder)trans-118.4134.4168.354.50000110S130 A131 D252 R255S130-T258 CarbonylContact C-O 3.6Å; S130-T258 WeakPolarHBondContact CA-O 3.45Å; A131-T258 PolarHBondContact N-O 3.24Å; A131-T258 PolarHBondContact O-N 3.29Å; D252-T258 HydrophobicContact CB-CG2 3.63Å; D252-T258 WeakPolarHBondContact OD2-CG2 3.42Å; R255-T258 HydrophobicContact CB-CG2 3.91Å
259Y79.4Confident66.9Low184 Ų18497.8 Ų97.872%0.72249%0.49SS*.EExtended strand (participates in β ladder)trans-105.7120.6169.8-62.1-81.7000106.9T257T257-Y259 HydrophobicContact CG2-CD2 4.39Å; T257-Y259 HydrophobicContact CG2-CE1 4.39Å; T257-Y259 HydrophobicContact CG2-CE2 3.79Å
260Q67.3Low64.3Low55 Ų55103.6 Ų103.626%0.25752%0.521SS..  trans-96.2108.3169.5-70.8-171.4-1.600106.5V128 K129 Y250 G262V128-Q260 WeakPolarHBondContact O-CB 3.34Å; K129-Q260 PolarHBondContact O-N 3.37Å; Y250-Q260 PolarHBondContact O-NE2 3.46Å; Y250-Q260 PolarHBondContact O-OE1 3.16Å; Q260-G262 PolarHBondContact O-N 3.04Å; Q260-G262 VanDerWaalsContact O-N 3.14Å
261L55.8Low61.4Low162 Ų162106 Ų10685%0.84854%0.537SS*.  trans-64.6115.2163.8-123.783.8000105.1Q263L261-Q263 VanDerWaalsContact C-N 3.26Å; L261-Q263 PolarHBondContact O-N 3.38Å
262G47.3Very low58.6Low51 Ų51111.2 Ų111.253%0.52657%0.571SS.*  trans-58.485.9-17700000111.7Q260 S264Q260-G262 PolarHBondContact O-N 3.04Å; Q260-G262 VanDerWaalsContact O-N 3.14Å; G262-S264 PolarHBondContact O-N 3.43Å; G262-S264 VanDerWaalsContact O-N 3.12Å
263Q40.6Very low55.9Low155 Ų155119.4 Ų119.472%0.72461%0.609SS**  trans-88.671.7175.1-150.1160.4-0.900107.2L261 E265L261-Q263 VanDerWaalsContact C-N 3.26Å; L261-Q263 PolarHBondContact O-N 3.38Å; Q263-E265 PolarHBondContact O-N 3.08Å
264S45.2Very low53.2Low75 Ų75132.2 Ų132.252%0.52467%0.669SS.*THydrogen-bonded Turntrans-72.816.1-176.3-1740000113.9G262G262-S264 PolarHBondContact O-N 3.43Å; G262-S264 VanDerWaalsContact O-N 3.12Å
265E38.7Very low51.4Low167 Ų167137.8 Ų137.878%0.7869%0.691SS**THydrogen-bonded Turntrans-101.6-3.8-172-94.6-177.7159.200116.2Q263Q263-E265 PolarHBondContact O-N 3.08Å
266Y37Very low49.6Very low189 Ų189135.7 Ų135.774%0.74169%0.692SS**SBendtrans-11314.2-170.7-82.8-83.2000117.2
267L40.3Very low47.8Very low151 Ų151137.4 Ų137.479%0.79170%0.699SS**SBendtrans-112.623.6177.4-127.5104.3000115.5
268N32Very low45.8Very low161 Ų161142.5 Ų142.586%0.86172%0.722SS**  trans-999.8170.9-79.1-18.5000113.9
269V40Very low43.4Very low124 Ų124150.2 Ų150.275%0.75276%0.76SS**SBendtrans-102.287.2176-173.40000109.4
270L36.4Very low41Very low162 Ų162147.9 Ų147.985%0.84876%0.763SS**  trans151.775.3148.4-87148.9000109.7
271Q31.2Very low39.1Very low187 Ų187154.6 Ų154.687%0.87480%0.799SS**PPolyproline II helixtrans-96.4117.2151-126.7169.6-16.800106.4Q273Q271-Q273 PolarHBondContact O-N 3.01Å
272P33.8Very low37.9Very low111 Ų111154 Ų15472%0.72180%0.795SS**PPolyproline II helixtrans-69.1130.3168.412.1-2.3000108.2Q274P272-Q274 PolarHBondContact O-N 2.8Å
273Q34.6Very low37.1Very low200 Ų200162.6 Ų162.694%0.93582%0.817SS**PPolyproline II helixtrans-66.6123.5164.2-66.4-144.9-36.700108.5Q271Q271-Q273 PolarHBondContact O-N 3.01Å
274Q35.2Very low36.8Very low269 Ų269163.3 Ų163.3100%1.25783%0.826SS**  trans-113.10154.6-92-175-53.400107.9P272P272-Q274 PolarHBondContact O-N 2.8Å

Retrieved 274 of 274 residues in 967.1 ms (Link to these results)