A0A087Y9X7_POEFO Loading...

TATA box binding protein

AlphaFold DB , UniProt , Accession A0A087Y9X7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1C38.4Very low38.1Very low178 Ų178136.1 Ų136.1100%1.20384%0.844SS**  0128.50-51.80000107.9
2L38.6Very low37.7Very low164 Ų164136.3 Ų136.386%0.85984%0.835SS**  cis-170.3129.6-10.2-116.7156.1000102
3L41.1Very low37.8Very low157 Ų157140.2 Ų140.282%0.82284%0.838SS**  trans-67.5165.5155.7-72.1165.3000108.5
4P54.8Low37.5Very low128 Ų128140.6 Ų140.683%0.83184%0.835SS**  -140.3165.292.427.1-7.1000111.4
5G35.1Very low37.5Very low79 Ų79142.4 Ų142.481%0.81484%0.839SS**  cis123.5124.716.800000110.4
6G31.7Very low37.4Very low69 Ų69139.6 Ų139.671%0.71183%0.829SS**  trans123.6105.8162.600000114.9
7S34.9Very low37.5Very low114 Ų114140.5 Ų140.580%0.79783%0.827SS**  cis72.91334589.90000111.6
8V37.7Very low38Very low111 Ų111139.3 Ų139.367%0.67382%0.824SS**  cis-169.4151.424.5169.80000107.6
9T36.9Very low38.7Very low142 Ų142137.6 Ų137.687%0.87182%0.817SS**  -177125.8121.432.70000114.3
10E32.9Very low38.3Very low168 Ų168139.7 Ų139.779%0.78582%0.815SS**  trans-75.7160169.2-69162.7126.500112.7
11M36.4Very low38.1Very low187 Ų187140.6 Ų140.692%0.92181%0.812SS**  -170.1142.4117.8-104.2-178.1-164.800113.1
12D34.2Very low37.7Very low138 Ų138135.1 Ų135.174%0.73879%0.785SS**  trans-63.2162.3-174.1-65.1-72.3000118.1
13Q38.1Very low37.4Very low187 Ų187135.9 Ų135.987%0.87479%0.789SS**  176.5123.2105.9-93.1176.422.200115
14N34.4Very low37Very low147 Ų147132.4 Ų132.479%0.78678%0.784SS**  trans10.2137.7140.5-89.8-20.1000120.7
15N36.6Very low36.1Very low167 Ų167131.8 Ų131.889%0.89378%0.782SS**  -158.6145.4112.3-141.3-1.6000114.5
16S36.7Very low36.7Very low97 Ų97134.1 Ų134.168%0.67878%0.783SS**  trans-102.7157.9-171.7-580000113
17I39.2Very low36.7Very low156 Ų156140.2 Ų140.280%0.879%0.793SS**  trans-69.5164.6170-28.6177.7000110.7
18P45.6Very low36.5Very low119 Ų119138.3 Ų138.377%0.77379%0.791SS**  -154.9-152.381.141.9-16.7000114.2
19P52Low36.2Very low107 Ų107137.4 Ų137.470%0.69580%0.795SS**  -130.3-177-102.439.8-19000115.8
20F31.7Very low36.1Very low178 Ų178139.3 Ų139.378%0.78180%0.797SS**  trans148.6156.9151.6-103.4-124.5000110.9
21Q32.2Very low36.3Very low159 Ų159137.5 Ų137.574%0.74380%0.797SS**  cis-178.6134.7-24.6-171.9-18038.400107.1
22G30Very low36.8Very low63 Ų63134.6 Ų134.665%0.64979%0.793SS**  trans68.9133.8136.200000124.6
23L33.4Very low36.7Very low180 Ų180131.8 Ų131.894%0.94280%0.796SS**  trans78.4148.3142-61.3157.5000117.9
24A33.2Very low36.7Very low85 Ų85131.7 Ų131.770%0.70280%0.798SS**  cis-170.6158-12.900000106.7
25S35.9Very low37.4Very low115 Ų115130.5 Ų130.580%0.80480%0.798SS**  trans-63.3166.8167.9-430000112.4
26P46.1Very low37.4Very low127 Ų127130.3 Ų130.383%0.82579%0.794SS**  -143.4162115.532.6-15.5000115.9
27Q32.5Very low37.2Very low197 Ų197135.6 Ų135.692%0.92181%0.805SS**  trans-85.2158.9170.4-67.1168.4-29.700111.5
28G31.6Very low36.8Very low74 Ų74133 Ų13376%0.76380%0.801SS**  trans104.7105.9130.500000120.9
29A31.2Very low37.1Very low92 Ų92132.9 Ų132.976%0.7680%0.8SS**  66.7145.1127.500000124.4
30M34.2Very low36.3Very low182 Ų182136.5 Ų136.590%0.89781%0.81SS**  trans111108.4150.9-58.7-76.5167.800118.2
31T36.6Very low36.6Very low130 Ų130135.3 Ų135.380%0.79881%0.808SS**  trans-69.9-175.6154.241.20000112.1
32P46.9Very low37.4Very low127 Ų127133.5 Ų133.583%0.82581%0.81SS**  cis-135.3177.6-6.925.2-0.7000114.9
33G32.1Very low37.6Very low78 Ų78141 Ų14180%0.80482%0.821SS**  trans-155.1114.7162.100000112.9
34M38.3Very low37.5Very low185 Ų185136.2 Ų136.291%0.91182%0.815SS**  trans-98.8160.1165.9-76-172.6168.800110.2
35P50.3Low37.4Very low122 Ų122138.2 Ų138.279%0.79282%0.824SS**  -134.9134.3116.115.95.4000112
36M34.9Very low37.1Very low164 Ų164136.1 Ų136.181%0.80882%0.82SS**  62.5108.986.9-85.5-75.5-84.400114.7
37F33.4Very low36.3Very low207 Ų207138 Ų13891%0.90882%0.822SS**  -172.4117.9127.7-108.8-78000110.6
38S31.8Very low36.6Very low103 Ų103134.5 Ų134.572%0.7281%0.814SS**  trans-101.2161.4155.9-64.50000108.1
39P51.4Low36.7Very low116 Ų116137.4 Ų137.475%0.75382%0.82SS**  -152.3152.2100.532.2-11.3000117.8
40M34Very low36.6Very low183 Ų183141 Ų14190%0.90182%0.821SS**  trans79.3133.6138.2-64.5-91.599.800122.6
41M38.9Very low36.4Very low152 Ų152137.8 Ų137.875%0.74981%0.814SS**  trans-94.6178.4175.4-57.1-135.3-72.800112.2
42P49.1Very low36Very low121 Ų121138.4 Ų138.479%0.78682%0.817SS**  -150.2150.883.335.3-14.1000118.6
43Y33.7Very low35.2Very low221 Ų221140.6 Ų140.687%0.86782%0.816SS**  trans19.8133.5149.2-73.8-89.2000124.3
44G30.5Very low34.9Very low79 Ų79144.3 Ų144.381%0.81482%0.818SS**  trans-176.5117.7154.300000112.8
45S32Very low34.7Very low128 Ų128141 Ų14190%0.89581%0.808SS**  trans-71.8148-16845.30000117.4
46G29.3Very low33.9Very low70 Ų70141 Ų14172%0.72280%0.801SS**  trans150.4125.3149.100000117.1
47L30.5Very low33.6Very low167 Ų167137.6 Ų137.687%0.87479%0.794SS**  trans88.9106.2155-50.9174.7000119.2
48T37.1Very low33.3Very low123 Ų123134.9 Ų134.976%0.75579%0.788SS**  trans22.9121.1147.757.90000120.3
49P33.6Very low33.3Very low136 Ų136132.7 Ų132.788%0.88377%0.772SS**PPolyproline II helixtrans-84.4122168.630.2-28.1000112.7
50Q29.2Very low32.3Very low168 Ų168132.8 Ų132.879%0.78577%0.765SS**PPolyproline II helixtrans-69.7145.4162-76-84.62.500110.6
51P31Very low32.2Very low113 Ų113130.4 Ų130.473%0.73476%0.756SS**PPolyproline II helixtrans-73.7129.6177.927.9-30000111.9Q53P51-Q53 PolarHBondContact O-N 3.11Å
52V28.3Very low31.9Very low144 Ų144127 Ų12787%0.87374%0.743SS**  trans-64.9113.3175.91800000110.1
53Q29.1Very low31Very low173 Ų173124.8 Ų124.881%0.80873%0.731SS**  trans-79.8117.6168.7-79.8-174-19.500110.4P51 T55P51-Q53 PolarHBondContact O-N 3.11Å; Q53-T55 PolarHBondContact O-N 3.4Å; Q53-T55 VanDerWaalsContact O-N 3.14Å
54N26.3Very low31Very low156 Ų156119.7 Ų119.783%0.83472%0.718SS**  trans-67.4100.5175.6-158.64000109.8
55T34Very low31.2Very low114 Ų114123.1 Ų123.170%0.69971%0.711SS**  trans-102.484.8179.549.30000110Q53Q53-T55 PolarHBondContact O-N 3.4Å; Q53-T55 VanDerWaalsContact O-N 3.14Å
56N33Very low31.4Very low122 Ų122121.7 Ų121.765%0.65269%0.693SS**  trans-15730.2169.8-99.8-32.7000116.7
57S29.2Very low31.7Very low93 Ų93121 Ų12165%0.6568%0.677SS**SBendtrans-127.8-3.7173.552.90000115.7
58L28.4Very low31.9Very low151 Ų151118.9 Ų118.979%0.79166%0.663SS**SBendtrans-100.5-14.8177-98.7140.1000114.6T62L58-T62 PolarHBondContact O-OG1 3.19Å
59S30.1Very low32Very low56 Ų56116.7 Ų116.739%0.39265%0.646SS.*Hα-helixtrans-84.4-24.1-179.850.70000113.9S63S59-S63 WeakPolarHBondContact O-CB 3.44Å; S59-S63 PolarHBondContact O-N 3.47Å; S59-S63 PolarHBondContact O-OG 2.81Å
60I31.2Very low32.3Very low119 Ų119117 Ų11761%0.6164%0.636SS**Hα-helixtrans-83.1-26.4-178.2-61.4-179000111.8N64I60-N64 PolarHBondContact O-N 2.93Å
61L31.1Very low32.7Very low133 Ų133114.2 Ų114.270%0.69662%0.623SS**Hα-helixtrans-80.4-29.1174.9-95.6141.6000113.6
62T33.1Very low33.3Very low79 Ų79112.5 Ų112.549%0.48561%0.607SS.*Hα-helixtrans-79.2-38.8174.316.80000112L58 N64 K65 N66L58-T62 PolarHBondContact O-OG1 3.19Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.13Å; T62-K65 PolarHBondContact O-N 3.25Å; T62-N66 PolarHBondContact O-N 3.01Å; T62-N66 VanDerWaalsContact O-N 3.12Å
63S31.5Very low33.8Very low75 Ų75107.8 Ų107.852%0.52457%0.574SS.*Hα-helixtrans-63.8-34.1177.8-58.80000112.8S59 S67S59-S63 WeakPolarHBondContact O-CB 3.44Å; S59-S63 PolarHBondContact O-N 3.47Å; S59-S63 PolarHBondContact O-OG 2.81Å; S63-S67 PolarHBondContact O-N 3.4Å; S63-S67 PolarHBondContact O-OG 2.94Å
64N32.4Very low34.2Very low114 Ų114105.9 Ų105.961%0.6156%0.563SS**Hα-helixtrans-77.3-26.1179-128.82.1000113.3I60 T62 S67I60-N64 PolarHBondContact O-N 2.93Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.13Å; N64-S67 PolarHBondContact O-OG 3.11Å
65K34.8Very low34.9Very low151 Ų151105.7 Ų105.766%0.65755%0.552SS**Hα-helixtrans-74.7-42.7171.8-90.5-179.4175.31730111.7T62 H68 L69T62-K65 PolarHBondContact O-N 3.25Å; K65-H68 PolarHBondContact O-N 3.29Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.27Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.44Å
66N35.9Very low35.4Very low98 Ų98101.5 Ų101.552%0.52453%0.525SS..Hα-helixtrans-66.6-40.8-178.7-75.7-4.2000112.3T62 H68 L69 E70T62-N66 PolarHBondContact O-N 3.01Å; T62-N66 VanDerWaalsContact O-N 3.12Å; N66-H68 PolarHBondContact O-N 3.48Å; N66-L69 PolarHBondContact O-N 2.96Å; N66-E70 WeakPolarHBondContact O-CB 3.45Å; N66-E70 WeakPolarHBondContact O-CG 3.45Å; N66-E70 PolarHBondContact O-N 2.79Å
67S35.7Very low35.6Very low55 Ų5598 Ų9839%0.38551%0.509SS..Hα-helixtrans-67.5-32.9176.9400000113.3S63 N64 Q71S63-S67 PolarHBondContact O-N 3.4Å; S63-S67 PolarHBondContact O-OG 2.94Å; N64-S67 PolarHBondContact O-OG 3.11Å; S67-Q71 WeakPolarHBondContact O-CB 3.44Å; S67-Q71 PolarHBondContact O-N 3Å
68H36.1Very low36.2Very low123 Ų12396.9 Ų96.957%0.56950%0.495SS*.Hα-helixtrans-74.1-32.8173.7-129.4-78.1000112.9K65 N66 N72K65-H68 PolarHBondContact O-N 3.29Å; N66-H68 PolarHBondContact O-N 3.48Å; H68-N72 WeakPolarHBondContact O-CB 3.45Å; H68-N72 PolarHBondContact O-N 2.7Å; H68-N72 VanDerWaalsContact O-N 3.08Å
69L38.7Very low36.8Very low78 Ų7891.2 Ų91.241%0.40847%0.47SS..Hα-helixtrans-70.7-44.7173.2-72170.7000111.1K65 N66 N72 Y73K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.27Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.44Å; N66-L69 PolarHBondContact O-N 2.96Å; L69-N72 PolarHBondContact O-N 3.34Å; L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 2.88Å
70E38.7Very low37.4Very low143 Ų14390 Ų9067%0.66846%0.459SS*.Hα-helixtrans-63.8-41.6174.8-77.4-167.4159.200112.2N66 N72 Y73 F74N66-E70 WeakPolarHBondContact O-CB 3.45Å; N66-E70 WeakPolarHBondContact O-CG 3.45Å; N66-E70 PolarHBondContact O-N 2.79Å; E70-N72 PolarHBondContact O-N 2.8Å; E70-Y73 PolarHBondContact O-N 3.12Å; E70-F74 VanDerWaalsContact O-CB 3.32Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.23Å
71Q38.3Very low37.6Very low109 Ų10992.5 Ų92.551%0.50947%0.465SS..Hα-helixtrans-60.2-45.8171.6-97.7-167.40.200111.5S67 Y73 F74 Y75S67-Q71 WeakPolarHBondContact O-CB 3.44Å; S67-Q71 PolarHBondContact O-N 3Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.34Å; Q71-F74 WeakPolarHBondContact O-CB 3.33Å; Q71-F74 PolarHBondContact O-N 2.98Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.56Å
72N43.3Very low37.8Very low77 Ų7791.5 Ų91.541%0.41246%0.46SS..Hα-helixtrans-62.1-41.4177.1-109.6-31.9000111.9H68 L69 E70 F74 Y75 L76H68-N72 WeakPolarHBondContact O-CB 3.45Å; H68-N72 PolarHBondContact O-N 2.7Å; H68-N72 VanDerWaalsContact O-N 3.08Å; L69-N72 PolarHBondContact O-N 3.34Å; E70-N72 PolarHBondContact O-N 2.8Å; N72-F74 VanDerWaalsContact C-N 3.33Å; N72-Y75 PolarHBondContact O-N 2.85Å; N72-L76 VanDerWaalsContact O-CB 3.23Å; N72-L76 WeakPolarHBondContact O-CB 3.13Å; N72-L76 PolarHBondContact O-N 3.28Å
73Y39Very low37.7Very low45 Ų4588.4 Ų88.418%0.17644%0.442CS..Hα-helixtrans-61.9-40.4174-100.2-82.9000111.7L69 E70 Q71 L76 T77 F264 I268L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 2.88Å; E70-Y73 PolarHBondContact O-N 3.12Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.34Å; Y73-L76 PolarHBondContact O-N 3.29Å; Y73-T77 WeakPolarHBondContact O-CB 3.46Å; Y73-T77 WeakPolarHBondContact O-CG2 3.43Å; Y73-T77 PolarHBondContact O-N 3.46Å; Y73-T77 PolarHBondContact O-OG1 2.94Å; Y73-F264 HydrophobicContact CD1-CB 4.29Å; Y73-F264 HydrophobicContact CD1-CG 4.49Å; Y73-F264 HydrophobicContact CE1-CB 3.54Å; Y73-F264 HydrophobicContact CE1-CD1 4.02Å; Y73-F264 AromaticContact CE1-CG 3.84Å; Y73-F264 HydrophobicContact CE1-CG 3.84Å; Y73-I268 HydrophobicContact CD1-CD1 4.07Å; Y73-I268 HydrophobicContact CD2-CD1 4.31Å; Y73-I268 HydrophobicContact CE1-CD1 3.38Å; Y73-I268 HydrophobicContact CE1-CG1 4.27Å; Y73-I268 HydrophobicContact CE2-CD1 3.67Å; Y73-I268 HydrophobicContact CG-CD1 4.5Å; Y73-I268 VanDerWaalsContact OH-CD1 3.27Å; Y73-I268 WeakPolarHBondContact OH-CD1 3.43Å
74F37.4Very low37.6Very low132 Ų13290.5 Ų90.558%0.57945%0.446SS*.Hα-helixtrans-67.1-40.1176.5-176-100000112.8E70 Q71 N72 T77 N78E70-F74 VanDerWaalsContact O-CB 3.32Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.23Å; Q71-F74 WeakPolarHBondContact O-CB 3.33Å; Q71-F74 PolarHBondContact O-N 2.98Å; N72-F74 VanDerWaalsContact C-N 3.33Å; F74-T77 VanDerWaalsContact CA-OG1 3.3Å; F74-T77 WeakPolarHBondContact CA-OG1 3.44Å; F74-T77 PolarHBondContact O-OG1 3.28Å; F74-T77 VanDerWaalsContact O-OG1 3.04Å; F74-N78 WeakPolarHBondContact CD1-ND2 3.42Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.43Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.5Å; F74-N78 WeakPolarHBondContact O-CB 3.45Å; F74-N78 PolarHBondContact O-N 3.25Å; F74-N78 PolarHBondContact O-ND2 3.43Å
75Y40.9Very low37.3Very low153 Ų15390.7 Ų90.760%0.645%0.454SS*.Hα-helixtrans-68.8-39.3174.1-80.1-71.5000111.9Q71 N72 N78 A79Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.56Å; N72-Y75 PolarHBondContact O-N 2.85Å; Y75-N78 PolarHBondContact O-N 2.99Å; Y75-A79 WeakPolarHBondContact O-CB 3.23Å; Y75-A79 PolarHBondContact O-N 3.37Å
76L45.2Very low37.2Very low26 Ų2686.9 Ų86.914%0.13646%0.458CS..Hα-helixtrans-66.8-45178.1-164.868.9000111.5N72 Y73 N78 A79 I80 I268 L279 T289N72-L76 VanDerWaalsContact O-CB 3.23Å; N72-L76 WeakPolarHBondContact O-CB 3.13Å; N72-L76 PolarHBondContact O-N 3.28Å; Y73-L76 PolarHBondContact O-N 3.29Å; L76-N78 PolarHBondContact O-N 2.94Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 3Å; L76-I80 HydrophobicContact CG-CD1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.43Å; L76-I268 HydrophobicContact CD2-CD1 3.82Å; L76-L279 HydrophobicContact CD1-CD1 4.15Å; L76-L279 HydrophobicContact CD2-CD1 4.04Å; L76-L279 HydrophobicContact CD2-CD2 3.49Å; L76-L279 VanDerWaalsContact CD2-CD2 3.49Å; L76-L279 HydrophobicContact CD2-CG 4.09Å; L76-L279 HydrophobicContact CG-CD1 3.97Å; L76-L279 HydrophobicContact CG-CD2 4.33Å; L76-T289 HydrophobicContact CD1-CG2 3.6Å
77T37Very low36.7Very low49 Ų4987.3 Ų87.330%0.30148%0.475SS..Hα-helixtrans-64.5-36.2175.446.10000112.7Y73 F74 I80 K81Y73-T77 WeakPolarHBondContact O-CB 3.46Å; Y73-T77 WeakPolarHBondContact O-CG2 3.43Å; Y73-T77 PolarHBondContact O-N 3.46Å; Y73-T77 PolarHBondContact O-OG1 2.94Å; F74-T77 VanDerWaalsContact CA-OG1 3.3Å; F74-T77 WeakPolarHBondContact CA-OG1 3.44Å; F74-T77 PolarHBondContact O-OG1 3.28Å; F74-T77 VanDerWaalsContact O-OG1 3.04Å; T77-I80 PolarHBondContact O-N 3.02Å; T77-K81 PolarHBondContact O-N 3.3Å
78N41.8Very low36.3Very low68 Ų6890.3 Ų90.336%0.36450%0.495SS..Hα-helixtrans-71.2-34.7173-78.4-50.9000113F74 Y75 L76 I80 K81 L82F74-N78 WeakPolarHBondContact CD1-ND2 3.42Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.43Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.5Å; F74-N78 WeakPolarHBondContact O-CB 3.45Å; F74-N78 PolarHBondContact O-N 3.25Å; F74-N78 PolarHBondContact O-ND2 3.43Å; Y75-N78 PolarHBondContact O-N 2.99Å; L76-N78 PolarHBondContact O-N 2.94Å; N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å; N78-K81 PolarHBondContact O-N 3.04Å; N78-L82 PolarHBondContact O-N 2.78Å
79A41.7Very low35.9Very low32 Ų3287.8 Ų87.826%0.26450%0.503SS..Hα-helixtrans-62.5-36.8171.500000111.6Y75 L76 S83Y75-A79 WeakPolarHBondContact O-CB 3.23Å; Y75-A79 PolarHBondContact O-N 3.37Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 3Å; A79-S83 PolarHBondContact O-OG 2.86Å
80I40.9Very low35.3Very low30 Ų3093.2 Ų93.215%0.15453%0.527CS..Hα-helixtrans-70.1-42.9175.3-63.9163.7000111.7L76 T77 N78 L82 S83 L84 F264 L279L76-I80 HydrophobicContact CG-CD1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.43Å; T77-I80 PolarHBondContact O-N 3.02Å; N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å; I80-L82 PolarHBondContact O-N 3.25Å; I80-S83 WeakPolarHBondContact CA-OG 3.46Å; I80-S83 PolarHBondContact O-N 2.96Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.32Å; I80-L84 HydrophobicContact CG2-CD1 3.6Å; I80-L84 PolarHBondContact O-N 2.83Å; I80-F264 HydrophobicContact CD1-CZ 4.34Å; I80-L279 HydrophobicContact CD1-CD1 3.48Å; I80-L279 VanDerWaalsContact CD1-CD1 3.48Å; I80-L279 HydrophobicContact CG1-CD1 4.03Å
81K36.7Very low34.9Very low173 Ų17393 Ų9375%0.75254%0.535SS*.Hα-helixtrans-63-25.5177.5-84.7-173.5177.6179.20113.6T77 N78T77-K81 PolarHBondContact O-N 3.3Å; N78-K81 PolarHBondContact O-N 3.04Å
82L34.8Very low34.5Very low111 Ų11194.1 Ų94.158%0.58155%0.552SS**THydrogen-bonded Turntrans-87.3-7.1176.7-13580.5000113.8N78 I80N78-L82 PolarHBondContact O-N 2.78Å; I80-L82 PolarHBondContact O-N 3.25Å
83S31.6Very low33.6Very low14 Ų1498.1 Ų98.110%0.09857%0.568CS.*THydrogen-bonded Turntrans-120.2-3.5-170.445.50000115.7A79 I80A79-S83 PolarHBondContact O-OG 2.86Å; I80-S83 WeakPolarHBondContact CA-OG 3.46Å; I80-S83 PolarHBondContact O-N 2.96Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.32Å
84L29.3Very low33Very low120 Ų120102.4 Ų102.463%0.62859%0.593SS**  trans-119112.4174.3-80.2134.7000111.4I80I80-L84 HydrophobicContact CG2-CD1 3.6Å; I80-L84 PolarHBondContact O-N 2.83Å
85P26.5Very low32.4Very low117 Ų117107.4 Ų107.476%0.7661%0.61SS**  trans-80.9117.1164.85.611.4000109.8
86G30.9Very low31.7Very low72 Ų72107.2 Ų107.274%0.74261%0.614SS**  trans76.4105.7155.200000117.1
87A26.5Very low30.8Very low107 Ų107111.8 Ų111.888%0.88465%0.648SS**  trans-138.963.5150.300000108.5
88S26.7Very low30.3Very low117 Ų117117 Ų11782%0.81867%0.669SS**  trans-77.7123.7154.147.70000106.9
89G28.9Very low29.6Very low71 Ų71120 Ų12073%0.73269%0.69SS**  trans-67.3159.5-169.800000115.1
90Q25.4Very low29.1Very low192 Ų192123.1 Ų123.190%0.89772%0.716SS**  trans-173.7131.9138.5-103.4171.211.400108.6
91T30.4Very low28.4Very low139 Ų139126.9 Ų126.985%0.85375%0.751SS**  trans-65.4152166.332.70000110.6
92P29.5Very low28Very low131 Ų131121.9 Ų121.985%0.85175%0.749SS**  -147.2173.1117.231.7-11.4000116.2
93Q25.3Very low27.8Very low162 Ų162122.4 Ų122.476%0.75776%0.762SS**  trans-77.3155.8-162.6-76.9-83.8-7.300117.6
94L25.4Very low27.7Very low135 Ų135127.8 Ų127.871%0.70780%0.795SS**  trans9.3127.9142.6-90.3152.6000119.8
95Y26.1Very low27.8Very low236 Ų236128 Ų12893%0.92580%0.801SS**  trans-145.2141.6142.9-111.2-87.6000111.9
96H25.9Very low28.2Very low149 Ų149129.1 Ų129.169%0.6981%0.806SS**  trans-99.7148.5-173.9-157.490.1000109.6
97S26.2Very low28.2Very low122 Ų122129.5 Ų129.585%0.85380%0.802SS**  trans-168.4119.2154.2-72.60000112.6
98Q26.7Very low28.5Very low159 Ų159132.2 Ų132.274%0.74380%0.801SS**  trans-66.2166.8149.9-65.9168100108.4
99T27.3Very low29.5Very low131 Ų131132.4 Ų132.480%0.80480%0.799SS**  cis-170.2158.739.9-9.90000104.4
100A29.6Very low29.5Very low98 Ų98133.1 Ų133.181%0.8181%0.806SS**  168.6155.585.700000110.2
101A27.1Very low30Very low108 Ų108127.9 Ų127.989%0.89380%0.804SS**  trans-95.8172.3-17500000113.9
102G28Very low30.2Very low68 Ų68128.3 Ų128.370%0.70181%0.806SS**  trans114.6139.2163.800000112.8
103S30.5Very low30.3Very low123 Ų123126.6 Ų126.686%0.8680%0.797SS**  cis-169.1160.7-0.340000109.5
104T29.4Very low30.7Very low127 Ų127125.7 Ų125.778%0.77980%0.797SS**  trans-46.7171.3-178.8-37.10000119.7
105T32.5Very low31Very low124 Ų124128.8 Ų128.876%0.76180%0.801SS**  trans105.2135.1154.677.40000114.3
106T33.6Very low31.2Very low140 Ų140123.9 Ų123.986%0.85980%0.795SS**  cis-162.1165.614.3-32.30000109
107A31.9Very low31.7Very low80 Ų80122.9 Ų122.966%0.66180%0.8SS**  trans-110.8148.9-173.800000115.6
108L33.1Very low32.2Very low165 Ų165122.7 Ų122.786%0.86480%0.799SS**  trans60.2169140.7-76.4156000121.3
109P47.7Very low32.9Very low121 Ų121123.3 Ų123.379%0.78681%0.805SS**  cis-138.1175.5-27.232.4-12.8000115.3
110G28.7Very low34Very low85 Ų85119.6 Ų119.688%0.87679%0.794SS**  trans129.4129.1142.200000117.6
111G34.8Very low34.5Very low82 Ų82121.2 Ų121.285%0.84580%0.795SS**  trans150.475.6164.900000115.7
112T34.4Very low35.1Very low148 Ų148125 Ų12591%0.90880%0.797SS**  trans-64.7136.2164.929.80000112.5
113S33Very low36.4Very low95 Ų95127.6 Ų127.666%0.66480%0.8SS**  trans-155.6129135.2-1640000111.1Y115S113-Y115 WeakPolarHBondContact OG-CE2 3.38Å
114L32.8Very low37Very low144 Ų144127.6 Ų127.675%0.75480%0.796SS**  trans-59.5157.4162.3-65.5149.3000109.3
115Y32.1Very low37.7Very low200 Ų200129.7 Ų129.778%0.78480%0.802SS**  170.8142.5115.3-59.3-59.7000111.7S113S113-Y115 WeakPolarHBondContact OG-CE2 3.38Å
116T31Very low38.5Very low132 Ų132129.7 Ų129.781%0.8180%0.802SS**  trans65.9113.6150.8169.90000122.1
117T36.4Very low39.1Very low128 Ų128128.5 Ų128.579%0.78580%0.797SS**  trans-68.4135.4162.944.60000113.3
118S35.3Very low39.7Very low118 Ų118129.2 Ų129.283%0.82580%0.803SS**  trans-118.5115.8159.264.90000110G120S118-G120 PolarHBondContact O-N 3.22Å
119I42.4Very low40.7Very low172 Ų172127.3 Ų127.388%0.88280%0.798SS**  trans-78.6114.2175.6-61.2170.7000107.9
120G49.9Very low40.7Very low54 Ų54127.1 Ų127.156%0.55780%0.797SS**  trans-103.9149.1166.700000110.8S118S118-G120 PolarHBondContact O-N 3.22Å
121P40.1Very low41.6Very low131 Ų131126.1 Ų126.185%0.85179%0.787SS**  trans-71.1136.4-174.927.1-31.2000112.1T123P121-T123 PolarHBondContact O-N 2.91Å
122M40.3Very low42.6Very low189 Ų189126 Ų12693%0.93177%0.773SS**  trans-69.2113.8-178-61.4-112.2-17100111.2
123T54.2Low43.7Very low122 Ų122126 Ų12675%0.74876%0.763SS**  trans-82.4134.4156.144.40000109.1P121 L125P121-T123 PolarHBondContact O-N 2.91Å; T123-L125 PolarHBondContact O-N 3.24Å; T123-L125 VanDerWaalsContact O-N 3.15Å
124P43.3Very low44.8Very low122 Ų122126.9 Ų126.979%0.79277%0.769SS**  trans-64.2117.9178.824.6-31000110.1T126P124-T126 PolarHBondContact O-N 3.12Å; P124-T126 VanDerWaalsContact O-N 3.12Å
125L44.8Very low46.3Very low171 Ų171121.5 Ų121.590%0.89574%0.743SS**  trans-64.2106.3170.6-78.3157.5000108.6T123T123-L125 PolarHBondContact O-N 3.24Å; T123-L125 VanDerWaalsContact O-N 3.15Å
126T49.6Very low48.6Very low125 Ų125115.4 Ų115.477%0.76774%0.741SS**  trans-56.3133.4159.4-16.50000107.8P124 A128P124-T126 PolarHBondContact O-N 3.12Å; P124-T126 VanDerWaalsContact O-N 3.12Å; T126-A128 PolarHBondContact O-N 3.49Å
127P45.3Very low51.5Low114 Ų114111.1 Ų111.174%0.7471%0.713SS**  trans-61.5114.9173.7-11.222.6000108T129P127-T129 VanDerWaalsContact C-N 3.34Å; P127-T129 PolarHBondContact O-N 2.96Å
128A44.5Very low54.2Low96 Ų96109.8 Ų109.879%0.79371%0.705SS**  trans-64.3101.4165.500000106.6T126 P130T126-A128 PolarHBondContact O-N 3.49Å; A128-P130 WeakPolarHBondContact O-CD 3.47Å; A128-P130 VanDerWaalsContact O-N 3.15Å
129T54.3Low57.1Low124 Ų124104.5 Ų104.576%0.76167%0.667SS**  trans-48.8121.2162.8-540000106.6P127 G131P127-T129 VanDerWaalsContact C-N 3.34Å; P127-T129 PolarHBondContact O-N 2.96Å; T129-G131 PolarHBondContact O-N 3.44Å
130P47.5Very low59.6Low117 Ų11799.8 Ų99.876%0.7665%0.647SS**  trans-61.5109.617823-29.4000106.9A128 S132A128-P130 WeakPolarHBondContact O-CD 3.47Å; A128-P130 VanDerWaalsContact O-N 3.15Å; P130-S132 PolarHBondContact O-N 3.12Å
131G47.8Very low61.8Low65 Ų6598.2 Ų98.267%0.6763%0.626SS**  trans-51.7135.1165.900000107.1T129 E133T129-G131 PolarHBondContact O-N 3.44Å; G131-E133 PolarHBondContact O-N 3.01Å
132S56.5Low64.5Low80 Ų8094.7 Ų94.756%0.55960%0.598SS**  trans-36.5127.3175.340.50000110.3P130 S134P130-S132 PolarHBondContact O-N 3.12Å; S132-S134 PolarHBondContact O-N 3.45Å
133E56.2Low67.1Low148 Ų14886 Ų8669%0.69256%0.555SS**  trans-47.1107.2176.5-70.8-176.1151.300108.7G131 S135 K309G131-E133 PolarHBondContact O-N 3.01Å; E133-S135 PolarHBondContact O-N 3.47Å; E133-K309 IonicContact OE2-NZ 2.74Å; E133-K309 PolarHBondContact OE2-NZ 3.28Å
134S57.4Low69.2Low112 Ų11280.2 Ų80.278%0.78352%0.52SS*.  trans-63.8118.4-168.160.80000108.5S132 G136S132-S134 PolarHBondContact O-N 3.45Å; S134-G136 PolarHBondContact O-N 2.8Å
135S63.4Low71.7Confident31 Ų3175.9 Ų75.922%0.21749%0.49CS..  trans-55.5-21.5-175.6-40.50000113.8E133 I137 Y305E133-S135 PolarHBondContact O-N 3.47Å; S135-I137 WeakPolarHBondContact O-CG1 3.38Å; S135-I137 PolarHBondContact O-N 3.28Å; S135-Y305 VanDerWaalsContact CB-CE1 3.44Å; S135-Y305 WeakPolarHBondContact OG-CD1 3.32Å; S135-Y305 WeakPolarHBondContact OG-CD2 3.44Å; S135-Y305 WeakPolarHBondContact OG-CE1 3.5Å
136G81.3Confident74.3Confident73 Ų7367.7 Ų67.775%0.75345%0.448SS*.  trans64.7-4.3-168.100000113.9S134S134-G136 PolarHBondContact O-N 2.8Å
137I91Very high76.6Confident41 Ų4163.6 Ų63.621%0.2142%0.422CS..  trans-97.1119.8-175.9-62.3165.7000107.9S135 C238 F301 Y305S135-I137 WeakPolarHBondContact O-CG1 3.38Å; S135-I137 PolarHBondContact O-N 3.28Å; I137-C238 HydrophobicContact CG2-CB 4.08Å; I137-F301 HydrophobicContact CB-CE1 4.07Å; I137-F301 HydrophobicContact CB-CZ 4.05Å; I137-F301 HydrophobicContact CG2-CE1 4.1Å; I137-F301 HydrophobicContact CG2-CZ 3.79Å; I137-F301 WeakPolarHBondContact O-CE1 3.46Å; I137-Y305 HydrophobicContact CD1-CE2 3.96Å
138V93.1Very high79.1Confident101 Ų10158.3 Ų58.361%0.61239%0.388SS*.  trans-106.3122178.4-177.30000109T140 Y298V138-T140 PolarHBondContact O-N 2.98Å; V138-Y298 HydrophobicContact CG1-CE1 4.03Å
139P95.1Very high81.7Confident6 Ų655.9 Ų55.94%0.03936%0.362CS..PPolyproline II helixtrans-56.9138.5172.4-24.933.6000112.8C238 I297 Y298 F301P139-C238 HydrophobicContact CB-CB 4.32Å; P139-C238 HydrophobicContact CG-CB 4.34Å; P139-I297 HydrophobicContact CB-CG2 3.81Å; P139-I297 HydrophobicContact CG-CG2 4.39Å; P139-Y298 HydrophobicContact CB-CD1 4.27Å; P139-Y298 HydrophobicContact CB-CE1 4.25Å; P139-Y298 HydrophobicContact CG-CD1 4.15Å; P139-Y298 WeakPolarHBondContact O-CE1 3.32Å; P139-F301 HydrophobicContact CG-CB 3.55Å; P139-F301 HydrophobicContact CG-CD1 3.73Å; P139-F301 HydrophobicContact CG-CD2 4.12Å; P139-F301 HydrophobicContact CG-CE1 4.48Å; P139-F301 HydrophobicContact CG-CG 3.5Å
140T96.1Very high83.7Confident73 Ų7350 Ų5045%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-103.3135.9178.657.80000109.8V138 Q142 G236 S237V138-T140 PolarHBondContact O-N 2.98Å; T140-Q142 PolarHBondContact OG1-NE2 3.46Å; T140-G236 CarbonylContact O-C 3.48Å; T140-G236 VanDerWaalsContact O-CA 3.26Å; T140-G236 WeakPolarHBondContact O-CA 3.23Å; T140-S237 PolarHBondContact N-O 3.42Å; T140-S237 PolarHBondContact O-N 2.96Å; T140-S237 PolarHBondContact OG1-O 3.37Å; T140-S237 VanDerWaalsContact OG1-O 3.05Å
141L96.1Very high86.1Confident22 Ų2246.5 Ų46.512%0.11531%0.311CS..EExtended strand (participates in β ladder)trans-73.2130.4173.8-67.7178000109.9I144 K201 M234 R294L141-I144 HydrophobicContact CD1-CD1 4.31Å; L141-K201 WeakPolarHBondContact CB-O 3.27Å; L141-M234 HydrophobicContact CD1-CE 3.4Å; L141-M234 VanDerWaalsContact CD1-CE 3.4Å; L141-M234 HydrophobicContact CD2-CB 4.43Å; L141-M234 HydrophobicContact CD2-CE 3.79Å; L141-M234 HydrophobicContact CG-CE 4.26Å; L141-R294 HydrophobicContact CD1-CG 4.15Å
142Q95.9Very high88.4Confident57 Ų5744.4 Ų44.427%0.26629%0.286SS..EExtended strand (participates in β ladder)trans-109.3-32.4-178.1-63.1-59.4-25.200112.3T140 V235 S237T140-Q142 PolarHBondContact OG1-NE2 3.46Å; Q142-V235 PolarHBondContact N-O 3.35Å; Q142-S237 WeakPolarHBondContact CG-OG 3.41Å; Q142-S237 PolarHBondContact NE2-OG 3.12Å
143N96.1Very high90.3Very high7 Ų748.6 Ų48.64%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-156145.4-178.6-176.530.8000111.5G199 A200 V235N143-G199 VanDerWaalsContact OD1-CA 3.26Å; N143-G199 WeakPolarHBondContact OD1-CA 3.24Å; N143-G199 PolarHBondContact OD1-N 2.82Å; N143-A200 CarbonylContact C-O 3.55Å; N143-A200 WeakPolarHBondContact CA-O 3.37Å; N143-V235 HydrophobicContact CB-CB 4.14Å; N143-V235 HydrophobicContact CB-CG2 4.28Å; N143-V235 PolarHBondContact N-O 3.33Å; N143-V235 PolarHBondContact O-N 2.95Å
144I96.9Very high92.2Very high0 Ų042 Ų420%026%0.264CS..EExtended strand (participates in β ladder)trans-129.2135.1173.9-61.6-174.9000109.3L141 A200 E203 I231 M234L141-I144 HydrophobicContact CD1-CD1 4.31Å; I144-A200 PolarHBondContact N-O 3.35Å; I144-E203 HydrophobicContact CD1-CB 4.43Å; I144-E203 HydrophobicContact CD1-CG 3.97Å; I144-I231 HydrophobicContact CG2-CD1 3.82Å; I144-I231 HydrophobicContact CG2-CG2 4.07Å; I144-M234 HydrophobicContact CD1-CE 3.84Å; I144-M234 HydrophobicContact CG1-CE 4.32Å; I144-M234 HydrophobicContact CG1-CG 4.36Å
145V97.4Very high94.1Very high30 Ų3040.2 Ų40.218%0.18225%0.245CC..EExtended strand (participates in β ladder)trans-111.6123.5173.1-1780000107.9V196 C197 T198 Q232 N233V145-V196 HydrophobicContact CG1-CG1 3.97Å; V145-C197 WeakPolarHBondContact CA-O 3.41Å; V145-T198 HydrophobicContact CB-CG2 4.38Å; V145-T198 HydrophobicContact CG1-CG2 3.98Å; V145-T198 HydrophobicContact CG2-CG2 4Å; V145-Q232 HydrophobicContact CG1-CB 4.38Å; V145-Q232 PolarHBondContact O-N 3.34Å; V145-N233 HydrophobicContact CB-CB 4.09Å; V145-N233 HydrophobicContact CG2-CB 4.3Å; V145-N233 PolarHBondContact N-O 2.87Å; V145-N233 PolarHBondContact O-N 3.19Å
146S98.3Very high95.6Very high0 Ų039 Ų390%024%0.236CC..EExtended strand (participates in β ladder)trans-127.3158.3175.761.50000111.3V196 C197 S206 K230S146-V196 CarbonylContact O-C 3.52Å; S146-V196 WeakPolarHBondContact O-CA 3.42Å; S146-C197 PolarHBondContact N-O 2.98Å; S146-C197 PolarHBondContact O-N 3.18Å; S146-S206 WeakPolarHBondContact CB-OG 3.21Å; S146-S206 PolarHBondContact OG-OG 3.4Å; S146-K230 CarbonylContact C-O 3.58Å; S146-K230 VanDerWaalsContact CA-O 3.24Å; S146-K230 WeakPolarHBondContact CA-O 3.37Å; S146-K230 WeakPolarHBondContact CB-O 3.35Å
147T98.1Very high96.3Very high38 Ų3842.4 Ų42.423%0.23323%0.23CC..EExtended strand (participates in β ladder)trans-122.3151.3171.4540000110M195 V196 F229 K230 Q232T147-M195 CarbonylContact C-O 3.42Å; T147-M195 VanDerWaalsContact CA-O 3.27Å; T147-M195 WeakPolarHBondContact CA-O 3.27Å; T147-V196 HydrophobicContact CG2-CG2 4.08Å; T147-F229 WeakPolarHBondContact O-CA 3.4Å; T147-K230 PolarHBondContact N-O 3.02Å; T147-K230 PolarHBondContact O-N 3.33Å; T147-Q232 HydrophobicContact CG2-CG 3.57Å; T147-Q232 PolarHBondContact OG1-NE2 2.69Å
148V98.4Very high96.5Very high4 Ų443 Ų432%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-146.1151.8172.164.20000109.2M195 A210 F226 L227 F229V148-M195 HydrophobicContact CG1-CB 3.87Å; V148-M195 HydrophobicContact CG1-CE 3.19Å; V148-M195 HydrophobicContact CG1-CG 4.31Å; V148-M195 PolarHBondContact N-O 3.14Å; V148-M195 PolarHBondContact O-N 3.09Å; V148-A210 HydrophobicContact CG1-CB 4.29Å; V148-F226 HydrophobicContact CB-CE2 4.42Å; V148-F226 HydrophobicContact CG2-CD2 3.69Å; V148-F226 HydrophobicContact CG2-CE2 3.7Å; V148-F226 HydrophobicContact CG2-CG 4.14Å; V148-F226 HydrophobicContact CG2-CZ 4.15Å; V148-L227 WeakPolarHBondContact CG2-O 3.24Å; V148-F229 HydrophobicContact CB-CD2 4.33Å; V148-F229 HydrophobicContact CG2-CB 4.34Å
149N98.2Very high96.6Very high45 Ų4538.1 Ų38.124%0.24121%0.206CC..EExtended strand (participates in β ladder)trans-103.9123.9175.3-173.91.6000109.9G151 L227 D228N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact OD1-N 2.91Å; N149-L227 HydrophobicContact CB-CB 4.21Å; N149-L227 PolarHBondContact N-O 3.28Å; N149-L227 WeakPolarHBondContact O-CB 3.14Å; N149-L227 PolarHBondContact O-N 3.41Å; N149-D228 HydrophobicContact CB-CB 4.28Å
150L97.7Very high96.6Very high0 Ų039 Ų390%021%0.214CC..  trans-81.2-11.2176.7-58.5175.8000112.6C152 L154 I189 G193 M195 A214 V217 A224 K225L150-C152 PolarHBondContact O-N 3.38Å; L150-L154 HydrophobicContact CD1-CD1 3.63Å; L150-I189 HydrophobicContact CD1-CG2 4.31Å; L150-G193 WeakPolarHBondContact CB-O 3.36Å; L150-G193 WeakPolarHBondContact CG-O 3.22Å; L150-G193 PolarHBondContact N-O 2.88Å; L150-M195 HydrophobicContact CD1-CB 4.35Å; L150-M195 HydrophobicContact CD1-SD 4.5Å; L150-M195 HydrophobicContact CD2-CE 4.08Å; L150-M195 HydrophobicContact CG-CB 4.42Å; L150-A214 HydrophobicContact CD2-CB 3.68Å; L150-V217 HydrophobicContact CD1-CG1 4.43Å; L150-V217 HydrophobicContact CD1-CG2 4.28Å; L150-A224 HydrophobicContact CB-CB 4.13Å; L150-A224 HydrophobicContact CD2-CB 4.34Å; L150-A224 CarbonylContact O-C 3.54Å; L150-A224 WeakPolarHBondContact O-CA 3.17Å; L150-K225 VanDerWaalsContact CA-O 3.32Å; L150-K225 WeakPolarHBondContact CA-O 3.47Å; L150-K225 PolarHBondContact O-N 3.05Å
151G96.1Very high96.5Very high44 Ų4443 Ų4345%0.45423%0.232SC..SBendtrans71.611.9170.900000115.4N149N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact OD1-N 2.91Å
152C96.4Very high96.3Very high21 Ų2149 Ų4914%0.14225%0.253CS..SBendtrans-147.3156.617763.10000111.3L150 G193 P223L150-C152 PolarHBondContact O-N 3.38Å; C152-G193 WeakPolarHBondContact O-CA 3.41Å; C152-P223 HydrophobicContact CB-CG 4.12Å
153K96.9Very high96.1Very high168 Ų16847.1 Ų47.173%0.7325%0.247SC*.  trans-73.1140.9171.1-67.8-69.2-173.1171.30109.5S191K153-S191 WeakPolarHBondContact CA-O 3.31Å; K153-S191 WeakPolarHBondContact CD-O 3.28Å
154L96.5Very high95.6Very high10 Ų1058.5 Ų58.55%0.05229%0.289CS..  trans-122130.8-175.9-64177.7000110.4L150 L156 I159 I189 S191 V217 F222L150-L154 HydrophobicContact CD1-CD1 3.63Å; L154-L156 HydrophobicContact CB-CD2 4.23Å; L154-L156 PolarHBondContact O-N 2.98Å; L154-I159 HydrophobicContact CB-CD1 3.9Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CD2-CD1 4.34Å; L154-I159 HydrophobicContact CG-CD1 4.34Å; L154-I189 HydrophobicContact CD1-CG2 3.48Å; L154-I189 VanDerWaalsContact CD1-CG2 3.48Å; L154-S191 PolarHBondContact N-O 3.45Å; L154-V217 HydrophobicContact CD1-CG1 4.23Å; L154-V217 HydrophobicContact CD2-CG1 3.73Å; L154-F222 HydrophobicContact CD2-CB 3.68Å; L154-F222 HydrophobicContact CD2-CD1 3.67Å; L154-F222 HydrophobicContact CD2-CD2 4.24Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CG 3.59Å
155D96.8Very high95.3Very high73 Ų7363.7 Ų63.739%0.3932%0.317SS..  trans-82.2103166.4177.227.9000109.8K157 T158 I159 F222D155-K157 VanDerWaalsContact C-N 3.25Å; D155-K157 PolarHBondContact O-N 2.73Å; D155-K157 PolarHBondContact OD1-N 3.43Å; D155-T158 PolarHBondContact O-N 3.01Å; D155-T158 VanDerWaalsContact OD2-CB 3.23Å; D155-T158 WeakPolarHBondContact OD2-CB 3.49Å; D155-T158 PolarHBondContact OD2-N 3.31Å; D155-T158 PolarHBondContact OD2-OG1 2.81Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 2.83Å; D155-I159 VanDerWaalsContact O-N 3.12Å; D155-F222 HydrophobicContact CB-CE1 4.47Å
156L96.1Very high95.1Very high5 Ų563.2 Ų63.23%0.02632%0.316CS..Hα-helixtrans-63.5-30.3-177.3-62.4-166.6000112.8L154 I159 A160 Y168 A174 V176 I189L154-L156 HydrophobicContact CB-CD2 4.23Å; L154-L156 PolarHBondContact O-N 2.98Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 PolarHBondContact O-N 2.81Å; L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.15Å; L156-Y168 HydrophobicContact CB-CD1 4.39Å; L156-Y168 HydrophobicContact CB-CD2 4.37Å; L156-Y168 HydrophobicContact CB-CE1 3.95Å; L156-Y168 HydrophobicContact CB-CE2 3.95Å; L156-Y168 HydrophobicContact CD1-CD2 4.47Å; L156-Y168 HydrophobicContact CD1-CE2 3.73Å; L156-A174 WeakPolarHBondContact CD1-O 3.3Å; L156-V176 HydrophobicContact CB-CG2 3.58Å; L156-V176 HydrophobicContact CD1-CG2 4.22Å; L156-V176 HydrophobicContact CD2-CG2 3.77Å; L156-V176 HydrophobicContact CG-CG2 4.02Å; L156-I189 HydrophobicContact CD2-CG2 4.39Å
157K95.4Very high95Very high145 Ų14568.6 Ų68.663%0.6334%0.341SS*.Hα-helixtrans-67.1-48.3177.9-67.1179.9-178.8178.60110.6D155 I159 A160 L161 Y168D155-K157 VanDerWaalsContact C-N 3.25Å; D155-K157 PolarHBondContact O-N 2.73Å; D155-K157 PolarHBondContact OD1-N 3.43Å; K157-I159 VanDerWaalsContact C-N 3.31Å; K157-I159 PolarHBondContact O-N 3.05Å; K157-A160 PolarHBondContact O-N 3.24Å; K157-L161 WeakPolarHBondContact O-CB 3.49Å; K157-L161 PolarHBondContact O-N 2.91Å; K157-Y168 HydrophobicContact CG-CD1 4.46Å; K157-Y168 HydrophobicContact CG-CE1 3.9Å
158T94.9Very high94.9Very high53 Ų5370 Ų7033%0.32534%0.343SS..Hα-helixtrans-60.3-40.9175.6-65.70000111.9D155 L161 R162 F222D155-T158 PolarHBondContact O-N 3.01Å; D155-T158 VanDerWaalsContact OD2-CB 3.23Å; D155-T158 WeakPolarHBondContact OD2-CB 3.49Å; D155-T158 PolarHBondContact OD2-N 3.31Å; D155-T158 PolarHBondContact OD2-OG1 2.81Å; T158-L161 PolarHBondContact O-N 2.81Å; T158-R162 WeakPolarHBondContact O-CB 3.01Å; T158-R162 WeakPolarHBondContact O-CG 3.42Å; T158-R162 PolarHBondContact O-N 2.86Å; T158-R162 VanDerWaalsContact O-N 3.12Å; T158-F222 HydrophobicContact CG2-CE2 4.49Å; T158-F222 HydrophobicContact CG2-CZ 4.09Å
159I95.3Very high94.7Very high0 Ų073.9 Ų73.90%036%0.364CS..Hα-helixtrans-61.9-49.2176.4-67.2172000110.8L154 D155 L156 K157 L161 R162 A163 V176 M178 L220 F222L154-I159 HydrophobicContact CB-CD1 3.9Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CD2-CD1 4.34Å; L154-I159 HydrophobicContact CG-CD1 4.34Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 2.83Å; D155-I159 VanDerWaalsContact O-N 3.12Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 PolarHBondContact O-N 2.81Å; K157-I159 VanDerWaalsContact C-N 3.31Å; K157-I159 PolarHBondContact O-N 3.05Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.82Å; I159-R162 PolarHBondContact O-N 2.87Å; I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.11Å; I159-V176 HydrophobicContact CG2-CG1 4.2Å; I159-M178 HydrophobicContact CG2-CE 3.87Å; I159-L220 HydrophobicContact CB-CD1 4.4Å; I159-L220 HydrophobicContact CG1-CD1 4.21Å; I159-L220 HydrophobicContact CG2-CD1 4.07Å; I159-F222 HydrophobicContact CD1-CD2 4.44Å; I159-F222 HydrophobicContact CD1-CE2 4.06Å; I159-F222 HydrophobicContact CD1-CZ 4.41Å; I159-F222 HydrophobicContact CG1-CD2 4.2Å; I159-F222 HydrophobicContact CG1-CE2 3.46Å; I159-F222 VanDerWaalsContact CG1-CE2 3.46Å; I159-F222 HydrophobicContact CG1-CZ 3.91Å
160A94.3Very high94.4Very high25 Ų2575.4 Ų75.421%0.20738%0.376CS..Hα-helixtrans-63.8-37.2-178.800000112.7L156 K157 Y168L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.15Å; K157-A160 PolarHBondContact O-N 3.24Å; A160-Y168 HydrophobicContact CB-CD1 4.39Å; A160-Y168 HydrophobicContact CB-CG 4.35Å
161L94Very high94.3Very high157 Ų15785.1 Ų85.182%0.82242%0.418SS*.Hα-helixtrans-68.2-37.2178.5-17269.5000112.3K157 T158 I159K157-L161 WeakPolarHBondContact O-CB 3.49Å; K157-L161 PolarHBondContact O-N 2.91Å; T158-L161 PolarHBondContact O-N 2.81Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.82Å
162R93.3Very high94.2Very high148 Ų14892.1 Ų92.156%0.55843%0.431SS*.Hα-helixtrans-94.3-23.2-174.1-65.5-171.968.7-1630.3114.2T158 I159 L220T158-R162 WeakPolarHBondContact O-CB 3.01Å; T158-R162 WeakPolarHBondContact O-CG 3.42Å; T158-R162 PolarHBondContact O-N 2.86Å; T158-R162 VanDerWaalsContact O-N 3.12Å; I159-R162 PolarHBondContact O-N 2.87Å; R162-L220 HydrophobicContact CB-CD2 3.61Å; R162-L220 PolarHBondContact NH1-O 2.96Å
163A91.3Very high94.1Very high16 Ų1695.1 Ų95.113%0.13244%0.442CS..  trans-90.7124.6-178.500000111.3I159 N165 A166 M178 L220I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.11Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.88Å; A163-A166 HydrophobicContact CB-CB 3.63Å; A163-M178 HydrophobicContact CB-CE 3.91Å; A163-L220 HydrophobicContact CB-CD1 4.46Å
164R84.8Confident94Very high246 Ų24690.1 Ų90.193%0.92843%0.432SS*.THydrogen-bonded Turntrans-65.3-31.7-175.3-57.2-177.2-163170.12.7114.4
165N90.8Very high94Very high110 Ų11089.7 Ų89.759%0.58843%0.43SS*.THydrogen-bonded Turntrans-11846.8-175.7-60.9-35.5000110.7A163 M178 R179A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.88Å; N165-M178 WeakPolarHBondContact O-CA 3.36Å; N165-R179 WeakPolarHBondContact CB-O 3.16Å; N165-R179 PolarHBondContact O-N 3.07Å; N165-R179 VanDerWaalsContact O-N 3.12Å
166A94Very high94Very high19 Ų1986.2 Ų86.216%0.15741%0.411CS..EExtended strand (participates in β ladder)trans-126.5133.8178.900000111A163 V176 I177 M178A163-A166 HydrophobicContact CB-CB 3.63Å; A166-V176 HydrophobicContact CB-CG1 3.83Å; A166-I177 CarbonylContact C-O 3.59Å; A166-I177 VanDerWaalsContact CA-O 3.27Å; A166-I177 WeakPolarHBondContact CA-O 3.48Å; A166-M178 HydrophobicContact CB-CE 4.35Å
167E94.9Very high94.1Very high113 Ų11387.1 Ų87.153%0.52842%0.416SS..EExtended strand (participates in β ladder)trans-115133.6175.7-63.4165.6-136.400108.6I177 R179E167-I177 HydrophobicContact CB-CB 4.37Å; E167-I177 PolarHBondContact N-O 2.93Å; E167-I177 PolarHBondContact O-N 2.91Å; E167-R179 IonicContact OE1-NE 2.59Å
168Y96.9Very high94.1Very high67 Ų6780.5 Ų80.526%0.26339%0.387SS..  trans-142.3120.3176.1-178.2-126.9000110.9L156 K157 A160 P170 V176L156-Y168 HydrophobicContact CB-CD1 4.39Å; L156-Y168 HydrophobicContact CB-CD2 4.37Å; L156-Y168 HydrophobicContact CB-CE1 3.95Å; L156-Y168 HydrophobicContact CB-CE2 3.95Å; L156-Y168 HydrophobicContact CD1-CD2 4.47Å; L156-Y168 HydrophobicContact CD1-CE2 3.73Å; K157-Y168 HydrophobicContact CG-CD1 4.46Å; K157-Y168 HydrophobicContact CG-CE1 3.9Å; A160-Y168 HydrophobicContact CB-CD1 4.39Å; A160-Y168 HydrophobicContact CB-CG 4.35Å; Y168-P170 HydrophobicContact CE1-CB 4.33Å; Y168-P170 HydrophobicContact CE1-CG 4.11Å; Y168-P170 HydrophobicContact CE2-CB 4.28Å; Y168-V176 HydrophobicContact CD2-CG2 3.84Å; Y168-V176 HydrophobicContact CG-CG2 3.97Å
169N94.3Very high94.2Very high87 Ų8783.4 Ų83.447%0.46539%0.392SS..  trans-135.396.2172.2-178.5-13000108.7K171 R172 F173N169-K171 PolarHBondContact O-N 2.81Å; N169-K171 VanDerWaalsContact O-N 3.15Å; N169-K171 WeakPolarHBondContact OD1-CB 3.35Å; N169-K171 PolarHBondContact OD1-N 2.9Å; N169-K171 VanDerWaalsContact OD1-N 3.14Å; N169-R172 HydrophobicContact CB-CB 4.11Å; N169-R172 PolarHBondContact O-N 2.87Å; N169-R172 PolarHBondContact OD1-N 3.17Å; N169-F173 PolarHBondContact O-N 2.88Å
170P92.3Very high94.2Very high76 Ų7685.1 Ų85.149%0.49440%0.401SS..THydrogen-bonded Turntrans-62.1-23.3-175.921.8-31.5000113.8Y168 R172Y168-P170 HydrophobicContact CE1-CB 4.33Å; Y168-P170 HydrophobicContact CE1-CG 4.11Å; Y168-P170 HydrophobicContact CE2-CB 4.28Å; P170-R172 VanDerWaalsContact C-N 3.32Å
171K95Very high94.2Very high204 Ų20494.8 Ų94.889%0.88743%0.432SS*.THydrogen-bonded Turntrans-72.1-28.6175-63.3-174.7177.5-177.20112.1N169N169-K171 PolarHBondContact O-N 2.81Å; N169-K171 VanDerWaalsContact O-N 3.15Å; N169-K171 WeakPolarHBondContact OD1-CB 3.35Å; N169-K171 PolarHBondContact OD1-N 2.9Å; N169-K171 VanDerWaalsContact OD1-N 3.14Å
172R94.7Very high94.2Very high192 Ų19293.7 Ų93.773%0.72542%0.423SS*.THydrogen-bonded Turntrans-91.9-44.8179.1-177.2178.7-179.6-88.6-1.7111.9N169 P170N169-R172 HydrophobicContact CB-CB 4.11Å; N169-R172 PolarHBondContact O-N 2.87Å; N169-R172 PolarHBondContact OD1-N 3.17Å; P170-R172 VanDerWaalsContact C-N 3.32Å
173F94.6Very high94.3Very high83 Ų8386.9 Ų86.936%0.36440%0.397SS..  trans-157.5137.6-174.7-165.7-125.9000111.6N169 A175 L188 F190N169-F173 PolarHBondContact O-N 2.88Å; F173-A175 HydrophobicContact CD1-CB 3.84Å; F173-A175 HydrophobicContact CE1-CB 3.57Å; F173-A175 HydrophobicContact CZ-CB 4.37Å; F173-A175 PolarHBondContact O-N 2.9Å; F173-A175 VanDerWaalsContact O-N 3.17Å; F173-L188 HydrophobicContact CE1-CD1 4.26Å; F173-L188 HydrophobicContact CE1-CD2 4.4Å; F173-F190 HydrophobicContact CZ-CE1 4.36Å; F173-F190 HydrophobicContact CZ-CZ 4.25Å
174A93.7Very high94.5Very high63 Ų6396.2 Ų96.252%0.52143%0.429SS..SBendtrans-78.15.9-172.500000115.1L156L156-A174 WeakPolarHBondContact CD1-O 3.3Å
175A96.1Very high95.1Very high2 Ų284.7 Ų84.72%0.01739%0.386CS..EExtended strand (participates in β ladder)trans-123.2152.1-178.200000111.5F173 L188 I189 F190F173-A175 HydrophobicContact CD1-CB 3.84Å; F173-A175 HydrophobicContact CE1-CB 3.57Å; F173-A175 HydrophobicContact CZ-CB 4.37Å; F173-A175 PolarHBondContact O-N 2.9Å; F173-A175 VanDerWaalsContact O-N 3.17Å; A175-L188 HydrophobicContact CB-CB 4.47Å; A175-I189 CarbonylContact C-O 3.59Å; A175-I189 VanDerWaalsContact CA-O 3.31Å; A175-I189 WeakPolarHBondContact CA-O 3.47Å; A175-I189 WeakPolarHBondContact CB-O 3.45Å; A175-F190 HydrophobicContact CB-CD1 3.79Å; A175-F190 HydrophobicContact CB-CD2 4.37Å; A175-F190 HydrophobicContact CB-CE1 3.76Å; A175-F190 HydrophobicContact CB-CE2 4.34Å; A175-F190 HydrophobicContact CB-CG 4.11Å; A175-F190 HydrophobicContact CB-CZ 4.04Å
176V97.4Very high95.4Very high0 Ų080.5 Ų80.50%037%0.365CS..EExtended strand (participates in β ladder)trans-78131.3169.5177.10000108.6L156 I159 A166 Y168 L188 I189L156-V176 HydrophobicContact CB-CG2 3.58Å; L156-V176 HydrophobicContact CD1-CG2 4.22Å; L156-V176 HydrophobicContact CD2-CG2 3.77Å; L156-V176 HydrophobicContact CG-CG2 4.02Å; I159-V176 HydrophobicContact CG2-CG1 4.2Å; A166-V176 HydrophobicContact CB-CG1 3.83Å; Y168-V176 HydrophobicContact CD2-CG2 3.84Å; Y168-V176 HydrophobicContact CG-CG2 3.97Å; V176-L188 WeakPolarHBondContact O-CA 3.39Å; V176-I189 HydrophobicContact CB-CB 4.43Å; V176-I189 PolarHBondContact N-O 2.79Å; V176-I189 PolarHBondContact O-N 2.9Å
177I97.4Very high95.6Very high23 Ų2379.6 Ų79.612%0.11836%0.357CS..EExtended strand (participates in β ladder)trans-95.6115.1173.1-54.7176.7000107.2A166 E167 T186 A187 L188A166-I177 CarbonylContact C-O 3.59Å; A166-I177 VanDerWaalsContact CA-O 3.27Å; A166-I177 WeakPolarHBondContact CA-O 3.48Å; E167-I177 HydrophobicContact CB-CB 4.37Å; E167-I177 PolarHBondContact N-O 2.93Å; E167-I177 PolarHBondContact O-N 2.91Å; I177-T186 HydrophobicContact CG2-CG2 3.64Å; I177-A187 WeakPolarHBondContact CA-O 3.31Å; I177-L188 HydrophobicContact CB-CD2 4.45Å; I177-L188 HydrophobicContact CG1-CD2 3.89Å; I177-L188 HydrophobicContact CG2-CD2 4.34Å
178M97.1Very high95.7Very high6 Ų676.2 Ų76.23%0.0334%0.343CS..EExtended strand (participates in β ladder)trans-116.8139.8177.3-168.7-179.7-69.400110I159 A163 N165 A166 T186 A187 I189 Y213 V216I159-M178 HydrophobicContact CG2-CE 3.87Å; A163-M178 HydrophobicContact CB-CE 3.91Å; N165-M178 WeakPolarHBondContact O-CA 3.36Å; A166-M178 HydrophobicContact CB-CE 4.35Å; M178-T186 CarbonylContact O-C 3.58Å; M178-T186 WeakPolarHBondContact O-CA 3.36Å; M178-A187 PolarHBondContact N-O 3.35Å; M178-A187 PolarHBondContact O-N 2.93Å; M178-I189 HydrophobicContact CB-CD1 4.36Å; M178-I189 HydrophobicContact CE-CD1 3.98Å; M178-I189 HydrophobicContact SD-CD1 4.41Å; M178-Y213 HydrophobicContact CB-CD1 4.25Å; M178-Y213 HydrophobicContact CB-CE1 4Å; M178-Y213 HydrophobicContact CG-CD1 4.04Å; M178-Y213 HydrophobicContact CG-CE1 3.85Å; M178-Y213 PolarHBondContact O-OH 2.66Å; M178-Y213 HydrophobicContact SD-CD1 3.71Å; M178-Y213 HydrophobicContact SD-CE1 4.13Å; M178-V216 HydrophobicContact CE-CG1 4.14Å; M178-V216 HydrophobicContact SD-CB 4.39Å; M178-V216 HydrophobicContact SD-CG1 3.93Å
179R96.8Very high95.8Very high115 Ų11573 Ų7343%0.43433%0.33SS..EExtended strand (participates in β ladder)trans-127.2139.9-178.7-57.1-177.3-169.3-94.38.9111.6N165 E167 T186N165-R179 WeakPolarHBondContact CB-O 3.16Å; N165-R179 PolarHBondContact O-N 3.07Å; N165-R179 VanDerWaalsContact O-N 3.12Å; E167-R179 IonicContact OE1-NE 2.59Å; R179-T186 HydrophobicContact CG-CG2 3.99Å; R179-T186 PolarHBondContact NH1-OG1 3.48Å
180I95.7Very high95.9Very high35 Ų3571.7 Ų71.718%0.17932%0.32CS..EExtended strand (participates in β ladder)trans-126152.8170.870.4-173.2000110.1P183 R184 T185 A209 K212 Y213I180-P183 WeakPolarHBondContact CG1-O 3.32Å; I180-R184 WeakPolarHBondContact O-CA 3.36Å; I180-T185 WeakPolarHBondContact CG1-OG1 3.21Å; I180-T185 PolarHBondContact N-O 2.87Å; I180-T185 PolarHBondContact O-N 2.81Å; I180-A209 HydrophobicContact CD1-CB 4.29Å; I180-K212 HydrophobicContact CD1-CB 4.05Å; I180-K212 HydrophobicContact CD1-CD 4.13Å; I180-Y213 HydrophobicContact CD1-CD2 4.45Å; I180-Y213 HydrophobicContact CD1-CE1 4.43Å; I180-Y213 HydrophobicContact CD1-CE2 3.89Å; I180-Y213 HydrophobicContact CG1-CE1 4.4Å; I180-Y213 HydrophobicContact CG1-CE2 4.26Å; I180-Y213 WeakPolarHBondContact CG1-OH 3.18Å; I180-Y213 HydrophobicContact CG2-CD1 4.32Å; I180-Y213 HydrophobicContact CG2-CE1 3.68Å; I180-Y213 PolarHBondContact N-OH 3.42Å
181R94.3Very high96.2Very high229 Ų22971.1 Ų71.186%0.86432%0.318SS*.THydrogen-bonded Turntrans-81.8-32.2-178.8-66.6-176.7-178.5167.4-0.3113.3P183 R184R181-P183 CarbonylContact O-C 3.42Å; R181-R184 WeakPolarHBondContact O-CA 3.48Å; R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.18Å
182E92.9Very high96.3Very high133 Ų13363.7 Ų63.762%0.62129%0.292SS*.THydrogen-bonded Turntrans-135.5107.6-171.5-170.756.5-115.700111.6K212E182-K212 WeakPolarHBondContact O-CD 3.36Å; E182-K212 PolarHBondContact O-NZ 2.82Å
183P94.8Very high96.3Very high5 Ų554.5 Ų54.53%0.03226%0.257CS..THydrogen-bonded Turncis-65146.4-11.8-19.333.3000111.5I180 R181 T185 E205 L208 A209I180-P183 WeakPolarHBondContact CG1-O 3.32Å; R181-P183 CarbonylContact O-C 3.42Å; P183-T185 HydrophobicContact CB-CG2 4.13Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 PolarHBondContact O-OG1 2.86Å; P183-E205 HydrophobicContact CB-CB 4.27Å; P183-E205 HydrophobicContact CB-CG 4.35Å; P183-E205 HydrophobicContact CG-CB 4.12Å; P183-E205 HydrophobicContact CG-CG 4.18Å; P183-L208 HydrophobicContact CG-CD2 4.29Å; P183-A209 HydrophobicContact CG-CB 4.38Å
184R96.3Very high96.5Very high212 Ų21257.1 Ų57.180%0.827%0.268SS*.THydrogen-bonded Turntrans-64.995.6-177.9-174.4179.3178.2179.1-0.6110.4I180 R181I180-R184 WeakPolarHBondContact O-CA 3.36Å; R181-R184 WeakPolarHBondContact O-CA 3.48Å; R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.18Å
185T97.4Very high96.7Very high4 Ų454.1 Ų54.13%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-140.2165.8-170.253.10000110.6I180 P183 T198 A200 A209 Y213I180-T185 WeakPolarHBondContact CG1-OG1 3.21Å; I180-T185 PolarHBondContact N-O 2.87Å; I180-T185 PolarHBondContact O-N 2.81Å; P183-T185 HydrophobicContact CB-CG2 4.13Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 PolarHBondContact O-OG1 2.86Å; T185-T198 CarbonylContact C-O 3.35Å; T185-T198 VanDerWaalsContact CA-O 3.25Å; T185-T198 WeakPolarHBondContact CA-O 3.26Å; T185-T198 VanDerWaalsContact CB-O 3.27Å; T185-T198 WeakPolarHBondContact CB-O 3.47Å; T185-A200 HydrophobicContact CG2-CB 3.98Å; T185-A209 HydrophobicContact CG2-CB 3.79Å; T185-Y213 PolarHBondContact O-OH 3.36Å; T185-Y213 WeakPolarHBondContact OG1-CE2 3.18Å; T185-Y213 PolarHBondContact OG1-OH 3.38Å; T185-Y213 VanDerWaalsContact OG1-OH 3.12Å
186T97.3Very high96.8Very high23 Ų2355.5 Ų55.514%0.14125%0.252CS..EExtended strand (participates in β ladder)trans-130.6130173.2-58.90000109.3I177 M178 R179 T198 Y213I177-T186 HydrophobicContact CG2-CG2 3.64Å; M178-T186 CarbonylContact O-C 3.58Å; M178-T186 WeakPolarHBondContact O-CA 3.36Å; R179-T186 HydrophobicContact CG-CG2 3.99Å; R179-T186 PolarHBondContact NH1-OG1 3.48Å; T186-T198 PolarHBondContact N-O 2.83Å; T186-T198 PolarHBondContact O-N 3.5Å; T186-T198 PolarHBondContact O-OG1 3.05Å; T186-T198 VanDerWaalsContact O-OG1 3.11Å; T186-Y213 WeakPolarHBondContact CA-OH 3.39Å; T186-Y213 PolarHBondContact N-OH 3.24Å
187A97.7Very high96.8Very high0 Ų055.6 Ų55.60%025%0.252CS..EExtended strand (participates in β ladder)trans-103.8140.4172.300000111.7I177 M178 I189 M195 V196 Y213I177-A187 WeakPolarHBondContact CA-O 3.31Å; M178-A187 PolarHBondContact N-O 3.35Å; M178-A187 PolarHBondContact O-N 2.93Å; A187-I189 HydrophobicContact CB-CG1 4.43Å; A187-M195 HydrophobicContact CB-CG 4.14Å; A187-M195 HydrophobicContact CB-SD 3.97Å; A187-V196 CarbonylContact C-O 3.58Å; A187-V196 WeakPolarHBondContact CA-O 3.42Å; A187-Y213 HydrophobicContact CB-CD1 3.59Å; A187-Y213 HydrophobicContact CB-CD2 3.61Å; A187-Y213 HydrophobicContact CB-CE1 3.57Å; A187-Y213 HydrophobicContact CB-CE2 3.63Å; A187-Y213 HydrophobicContact CB-CG 3.61Å
188L97.8Very high96.8Very high41 Ų4155.3 Ų55.322%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-109113.5168.5-50.1178.2000107.5F173 A175 V176 I177 F190 M195 V196F173-L188 HydrophobicContact CE1-CD1 4.26Å; F173-L188 HydrophobicContact CE1-CD2 4.4Å; A175-L188 HydrophobicContact CB-CB 4.47Å; V176-L188 WeakPolarHBondContact O-CA 3.39Å; I177-L188 HydrophobicContact CB-CD2 4.45Å; I177-L188 HydrophobicContact CG1-CD2 3.89Å; I177-L188 HydrophobicContact CG2-CD2 4.34Å; L188-F190 HydrophobicContact CB-CE2 4.23Å; L188-M195 CarbonylContact O-C 3.5Å; L188-M195 VanDerWaalsContact O-CA 3.28Å; L188-M195 WeakPolarHBondContact O-CA 3.12Å; L188-V196 HydrophobicContact CB-CB 4.22Å; L188-V196 PolarHBondContact N-O 2.95Å; L188-V196 PolarHBondContact O-N 3.45Å
189I97.8Very high96.6Very high0 Ų056.3 Ų56.30%026%0.263CS..EExtended strand (participates in β ladder)trans-108.7119.6-175.5-56.7170.1000109L150 L154 L156 A175 V176 M178 A187 M195 V217L150-I189 HydrophobicContact CD1-CG2 4.31Å; L154-I189 HydrophobicContact CD1-CG2 3.48Å; L154-I189 VanDerWaalsContact CD1-CG2 3.48Å; L156-I189 HydrophobicContact CD2-CG2 4.39Å; A175-I189 CarbonylContact C-O 3.59Å; A175-I189 VanDerWaalsContact CA-O 3.31Å; A175-I189 WeakPolarHBondContact CA-O 3.47Å; A175-I189 WeakPolarHBondContact CB-O 3.45Å; V176-I189 HydrophobicContact CB-CB 4.43Å; V176-I189 PolarHBondContact N-O 2.79Å; V176-I189 PolarHBondContact O-N 2.9Å; M178-I189 HydrophobicContact CB-CD1 4.36Å; M178-I189 HydrophobicContact CE-CD1 3.98Å; M178-I189 HydrophobicContact SD-CD1 4.41Å; A187-I189 HydrophobicContact CB-CG1 4.43Å; I189-M195 HydrophobicContact CD1-SD 4.24Å; I189-M195 HydrophobicContact CG1-CG 3.93Å; I189-M195 HydrophobicContact CG1-SD 3.82Å; I189-V217 HydrophobicContact CD1-CG2 4.08Å
190F97.8Very high96.6Very high60 Ų6050.9 Ų50.926%0.26324%0.243SC..EExtended strand (participates in β ladder)trans-94.9153.5180-64-92.9000111.1F173 A175 L188 S192 G193 K194 V196F173-F190 HydrophobicContact CZ-CE1 4.36Å; F173-F190 HydrophobicContact CZ-CZ 4.25Å; A175-F190 HydrophobicContact CB-CD1 3.79Å; A175-F190 HydrophobicContact CB-CD2 4.37Å; A175-F190 HydrophobicContact CB-CE1 3.76Å; A175-F190 HydrophobicContact CB-CE2 4.34Å; A175-F190 HydrophobicContact CB-CG 4.11Å; A175-F190 HydrophobicContact CB-CZ 4.04Å; L188-F190 HydrophobicContact CB-CE2 4.23Å; F190-S192 PolarHBondContact O-N 3.37Å; F190-G193 PolarHBondContact O-N 3.08Å; F190-K194 HydrophobicContact CD2-CB 4.43Å; F190-K194 WeakPolarHBondContact CD2-O 3.38Å; F190-K194 PolarHBondContact N-O 2.9Å; F190-V196 HydrophobicContact CE2-CG2 3.99Å
191S97.2Very high96.6Very high63 Ų6355.1 Ų55.144%0.44126%0.26SS..THydrogen-bonded Turntrans-59.8-21.1176.958.30000113.1K153 L154 G193K153-S191 WeakPolarHBondContact CA-O 3.31Å; K153-S191 WeakPolarHBondContact CD-O 3.28Å; L154-S191 PolarHBondContact N-O 3.45Å; S191-G193 PolarHBondContact O-N 2.95Å
192S97.1Very high96.7Very high48 Ų4845.3 Ų45.334%0.33623%0.227SC..THydrogen-bonded Turntrans-70.2-13.2173.861.90000114.5F190 K194F190-S192 PolarHBondContact O-N 3.37Å; S192-K194 VanDerWaalsContact C-N 3.31Å; S192-K194 PolarHBondContact OG-N 3.15Å
193G95.7Very high96.8Very high0 Ų040.8 Ų40.80%021%0.206CC..SBendtrans88-6.1-170.900000113.7L150 C152 F190 S191L150-G193 WeakPolarHBondContact CB-O 3.36Å; L150-G193 WeakPolarHBondContact CG-O 3.22Å; L150-G193 PolarHBondContact N-O 2.88Å; C152-G193 WeakPolarHBondContact O-CA 3.41Å; F190-G193 PolarHBondContact O-N 3.08Å; S191-G193 PolarHBondContact O-N 2.95Å
194K97.8Very high96.9Very high137 Ų13746.4 Ų46.460%0.59623%0.232SC*.EExtended strand (participates in β ladder)trans-68.2139.8169.2-66.8-172.3179.4-1780109.6F190 S192F190-K194 HydrophobicContact CD2-CB 4.43Å; F190-K194 WeakPolarHBondContact CD2-O 3.38Å; F190-K194 PolarHBondContact N-O 2.9Å; S192-K194 VanDerWaalsContact C-N 3.31Å; S192-K194 PolarHBondContact OG-N 3.15Å
195M98.1Very high97Very high1 Ų139.7 Ų39.71%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-131.9134.5176.2-180171.96700110.1T147 V148 L150 A187 L188 I189 A210 Y213T147-M195 CarbonylContact C-O 3.42Å; T147-M195 VanDerWaalsContact CA-O 3.27Å; T147-M195 WeakPolarHBondContact CA-O 3.27Å; V148-M195 HydrophobicContact CG1-CB 3.87Å; V148-M195 HydrophobicContact CG1-CE 3.19Å; V148-M195 HydrophobicContact CG1-CG 4.31Å; V148-M195 PolarHBondContact N-O 3.14Å; V148-M195 PolarHBondContact O-N 3.09Å; L150-M195 HydrophobicContact CD1-CB 4.35Å; L150-M195 HydrophobicContact CD1-SD 4.5Å; L150-M195 HydrophobicContact CD2-CE 4.08Å; L150-M195 HydrophobicContact CG-CB 4.42Å; A187-M195 HydrophobicContact CB-CG 4.14Å; A187-M195 HydrophobicContact CB-SD 3.97Å; L188-M195 CarbonylContact O-C 3.5Å; L188-M195 VanDerWaalsContact O-CA 3.28Å; L188-M195 WeakPolarHBondContact O-CA 3.12Å; I189-M195 HydrophobicContact CD1-SD 4.24Å; I189-M195 HydrophobicContact CG1-CG 3.93Å; I189-M195 HydrophobicContact CG1-SD 3.82Å; M195-A210 HydrophobicContact CE-CB 4.38Å; M195-A210 WeakPolarHBondContact CE-O 3.3Å; M195-Y213 WeakPolarHBondContact SD-CB 3.41Å; M195-Y213 HydrophobicContact SD-CG 4.16Å
196V98.3Very high97Very high31 Ų3139.5 Ų39.519%0.18821%0.208CC..EExtended strand (participates in β ladder)trans-106.6133.1171.4-176.40000107.8V145 S146 T147 A187 L188 F190 T198V145-V196 HydrophobicContact CG1-CG1 3.97Å; S146-V196 CarbonylContact O-C 3.52Å; S146-V196 WeakPolarHBondContact O-CA 3.42Å; T147-V196 HydrophobicContact CG2-CG2 4.08Å; A187-V196 CarbonylContact C-O 3.58Å; A187-V196 WeakPolarHBondContact CA-O 3.42Å; L188-V196 HydrophobicContact CB-CB 4.22Å; L188-V196 PolarHBondContact N-O 2.95Å; L188-V196 PolarHBondContact O-N 3.45Å; F190-V196 HydrophobicContact CE2-CG2 3.99Å; V196-T198 HydrophobicContact CG1-CG2 4.09Å
197C97.7Very high97.1Very high1 Ų144.8 Ų44.81%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-118132.1176-178.60000109.8V145 S146 A210V145-C197 WeakPolarHBondContact CA-O 3.41Å; S146-C197 PolarHBondContact N-O 2.98Å; S146-C197 PolarHBondContact O-N 3.18Å; C197-A210 HydrophobicContact CB-CB 4.37Å
198T97.1Very high97.1Very high17 Ų1748.7 Ų48.710%0.10425%0.246CC..EExtended strand (participates in β ladder)trans-137.1156.8-17660.30000111.9V145 T185 T186 V196V145-T198 HydrophobicContact CB-CG2 4.38Å; V145-T198 HydrophobicContact CG1-CG2 3.98Å; V145-T198 HydrophobicContact CG2-CG2 4Å; T185-T198 CarbonylContact C-O 3.35Å; T185-T198 VanDerWaalsContact CA-O 3.25Å; T185-T198 WeakPolarHBondContact CA-O 3.26Å; T185-T198 VanDerWaalsContact CB-O 3.27Å; T185-T198 WeakPolarHBondContact CB-O 3.47Å; T186-T198 PolarHBondContact N-O 2.83Å; T186-T198 PolarHBondContact O-N 3.5Å; T186-T198 PolarHBondContact O-OG1 3.05Å; T186-T198 VanDerWaalsContact O-OG1 3.11Å; V196-T198 HydrophobicContact CG1-CG2 4.09Å
199G93.8Very high97.1Very high27 Ų2746.7 Ų46.728%0.27824%0.235SC..EExtended strand (participates in β ladder)trans98.5-3173.400000115.2N143N143-G199 VanDerWaalsContact OD1-CA 3.26Å; N143-G199 WeakPolarHBondContact OD1-CA 3.24Å; N143-G199 PolarHBondContact OD1-N 2.82Å
200A96.7Very high97.1Very high1 Ų146.7 Ų46.71%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-75.4149.4176.400000111N143 I144 T185 E205 S206N143-A200 CarbonylContact C-O 3.55Å; N143-A200 WeakPolarHBondContact CA-O 3.37Å; I144-A200 PolarHBondContact N-O 3.35Å; T185-A200 HydrophobicContact CG2-CB 3.98Å; A200-E205 HydrophobicContact CB-CB 4.02Å; A200-S206 VanDerWaalsContact CB-CA 3.5Å
201K94.6Very high97.1Very high124 Ų12451.2 Ų51.254%0.53925%0.251SS..SBendtrans-98.9-14.2179.6-65.1-175.7177.7-175.90113.5L141 E205L141-K201 WeakPolarHBondContact CB-O 3.27Å; K201-E205 PolarHBondContact N-OE2 2.83Å
202S96.4Very high97.1Very high24 Ų2451.9 Ų51.917%0.16825%0.246CC..SBendtrans-135.4157.1174.571.40000112.4E204 E205 S206S202-E204 PolarHBondContact O-N 3.17Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CB 3.31Å; S202-E205 WeakPolarHBondContact OG-CB 3.11Å; S202-E205 VanDerWaalsContact OG-CG 3.24Å; S202-E205 WeakPolarHBondContact OG-CG 3.26Å; S202-E205 PolarHBondContact OG-N 2.75Å; S202-E205 VanDerWaalsContact OG-N 3.09Å; S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 2.82Å
203E96Very high97.1Very high38 Ų3849.6 Ų49.618%0.17823%0.23CC..Hα-helixtrans-60.7-38.4-179.3-62.589.1144.800110.1I144 S206 R207 M234 R294I144-E203 HydrophobicContact CD1-CB 4.43Å; I144-E203 HydrophobicContact CD1-CG 3.97Å; E203-S206 PolarHBondContact O-N 3.13Å; E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.89Å; E203-M234 VanDerWaalsContact CD-CE 3.46Å; E203-M234 HydrophobicContact CG-CE 3.92Å; E203-M234 WeakPolarHBondContact OE1-CE 3Å; E203-R294 IonicContact OE1-CZ 3.96Å; E203-R294 IonicContact OE1-NE 3.56Å; E203-R294 PolarHBondContact OE1-NE 3.3Å; E203-R294 VanDerWaalsContact OE1-NE 3.17Å; E203-R294 IonicContact OE1-NH2 3.63Å; E203-R294 IonicContact OE2-CZ 3.81Å; E203-R294 IonicContact OE2-NE 3.17Å; E203-R294 IonicContact OE2-NH2 2.69Å; E203-R294 PolarHBondContact OE2-NH2 3.14Å
204E97.2Very high97.2Very high123 Ų12349.8 Ų49.858%0.57523%0.231SC*.Hα-helixtrans-66.2-46.4177-61.371.5-150.100111.2S202 S206 R207 L208S202-E204 PolarHBondContact O-N 3.17Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 2.96Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.28Å
205E97.3Very high97.2Very high70 Ų7050.2 Ų50.233%0.32723%0.229SC..Hα-helixtrans-60.9-42.7174.7-81.2178.8-17700111.3P183 A200 K201 S202 R207 L208 A209P183-E205 HydrophobicContact CB-CB 4.27Å; P183-E205 HydrophobicContact CB-CG 4.35Å; P183-E205 HydrophobicContact CG-CB 4.12Å; P183-E205 HydrophobicContact CG-CG 4.18Å; A200-E205 HydrophobicContact CB-CB 4.02Å; K201-E205 PolarHBondContact N-OE2 2.83Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CB 3.31Å; S202-E205 WeakPolarHBondContact OG-CB 3.11Å; S202-E205 VanDerWaalsContact OG-CG 3.24Å; S202-E205 WeakPolarHBondContact OG-CG 3.26Å; S202-E205 PolarHBondContact OG-N 2.75Å; S202-E205 VanDerWaalsContact OG-N 3.09Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-L208 PolarHBondContact O-N 3.07Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 3.18Å
206S98.1Very high97.1Very high0 Ų052.7 Ų52.70%024%0.244CC..Hα-helixtrans-61.5-43.2178.2-171.80000111.2S146 A200 S202 E203 E204 A210S146-S206 WeakPolarHBondContact CB-OG 3.21Å; S146-S206 PolarHBondContact OG-OG 3.4Å; A200-S206 VanDerWaalsContact CB-CA 3.5Å; S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 2.82Å; E203-S206 PolarHBondContact O-N 3.13Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 2.96Å; S206-A210 WeakPolarHBondContact O-CB 3.44Å; S206-A210 PolarHBondContact O-N 2.74Å
207R98Very high97Very high135 Ų13551.2 Ų51.251%0.50924%0.235SC..Hα-helixtrans-65.8-44.1176-173.4-177.1-67.3-129.30.8111.3E203 E204 E205 A210 R211 F226 F229E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.89Å; E204-R207 PolarHBondContact O-N 2.83Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-A210 PolarHBondContact O-N 3.09Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.12Å; R207-F226 HydrophobicContact CG-CZ 4.17Å; R207-F229 HydrophobicContact CB-CE1 3.97Å; R207-F229 HydrophobicContact CB-CE2 4.14Å; R207-F229 HydrophobicContact CB-CZ 3.68Å; R207-F229 HydrophobicContact CG-CD1 4.39Å; R207-F229 HydrophobicContact CG-CE1 4.18Å; R207-F229 HydrophobicContact CG-CE2 4.44Å; R207-F229 HydrophobicContact CG-CZ 4.21Å
208L98.2Very high96.9Very high81 Ų8154.5 Ų54.542%0.42425%0.251SS..Hα-helixtrans-60.9-47.4177.7178.161.9000111.3P183 E204 E205 R211 K212P183-L208 HydrophobicContact CG-CD2 4.29Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.07Å; L208-R211 PolarHBondContact O-N 3.15Å; L208-K212 WeakPolarHBondContact O-CG 3.4Å; L208-K212 PolarHBondContact O-N 2.93Å
209A98.1Very high96.9Very high0 Ų061.1 Ų61.10%028%0.278CS..Hα-helixtrans-59.5-49.7176.800000111.2I180 P183 T185 E205 R211 K212 Y213I180-A209 HydrophobicContact CD1-CB 4.29Å; P183-A209 HydrophobicContact CG-CB 4.38Å; T185-A209 HydrophobicContact CG2-CB 3.79Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 3.18Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.74Å; A209-K212 WeakPolarHBondContact O-CA 3.48Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.34Å; A209-Y213 HydrophobicContact CB-CE2 4.26Å; A209-Y213 WeakPolarHBondContact O-CD2 3.18Å; A209-Y213 PolarHBondContact O-N 3.1Å
210A98.1Very high96.9Very high0 Ų060.9 Ų60.90%027%0.27CS..Hα-helixtrans-56.5-40176.500000112.4V148 M195 C197 S206 R207 Y213 A214 F226 F229V148-A210 HydrophobicContact CG1-CB 4.29Å; M195-A210 HydrophobicContact CE-CB 4.38Å; M195-A210 WeakPolarHBondContact CE-O 3.3Å; C197-A210 HydrophobicContact CB-CB 4.37Å; S206-A210 WeakPolarHBondContact O-CB 3.44Å; S206-A210 PolarHBondContact O-N 2.74Å; R207-A210 PolarHBondContact O-N 3.09Å; A210-Y213 PolarHBondContact O-N 3.21Å; A210-A214 PolarHBondContact O-N 3.24Å; A210-F226 HydrophobicContact CB-CE2 3.8Å; A210-F226 HydrophobicContact CB-CZ 4.33Å; A210-F229 HydrophobicContact CB-CD2 4.19Å; A210-F229 HydrophobicContact CB-CE2 4.01Å
211R98Very high96.9Very high154 Ų15464 Ų6458%0.58130%0.302SS*.Hα-helixtrans-65.8-40.4174-71.7179.471.4-174.33.4112.5R207 L208 A209 A214 R215 F226R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.12Å; L208-R211 PolarHBondContact O-N 3.15Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.74Å; R211-A214 PolarHBondContact O-N 2.93Å; R211-R215 WeakPolarHBondContact O-CB 3.25Å; R211-R215 PolarHBondContact O-N 3.39Å; R211-F226 HydrophobicContact CB-CE2 4.33Å; R211-F226 HydrophobicContact CG-CD1 4.45Å; R211-F226 HydrophobicContact CG-CD2 3.78Å; R211-F226 HydrophobicContact CG-CE1 4.2Å; R211-F226 HydrophobicContact CG-CE2 3.48Å; R211-F226 VanDerWaalsContact CG-CE2 3.48Å; R211-F226 HydrophobicContact CG-CG 4.25Å; R211-F226 HydrophobicContact CG-CZ 3.71Å
212K97.6Very high97Very high78 Ų7859.7 Ų59.734%0.33928%0.284SS..Hα-helixtrans-61.2-44.4175.3-72.6-176.5-177.8-1740111I180 E182 L208 A209 R215 V216I180-K212 HydrophobicContact CD1-CB 4.05Å; I180-K212 HydrophobicContact CD1-CD 4.13Å; E182-K212 WeakPolarHBondContact O-CD 3.36Å; E182-K212 PolarHBondContact O-NZ 2.82Å; L208-K212 WeakPolarHBondContact O-CG 3.4Å; L208-K212 PolarHBondContact O-N 2.93Å; A209-K212 WeakPolarHBondContact O-CA 3.48Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.34Å; K212-R215 WeakPolarHBondContact O-CB 3.44Å; K212-R215 PolarHBondContact O-N 2.93Å; K212-V216 WeakPolarHBondContact O-CG2 3.42Å; K212-V216 PolarHBondContact O-N 2.85Å
213Y97.5Very high97Very high0 Ų063.3 Ų63.30%031%0.307CS..Hα-helixtrans-61.7-47.2175.2-70.8-66.7000112.4M178 I180 T185 T186 A187 M195 A209 A210 R215 V216 V217M178-Y213 HydrophobicContact CB-CD1 4.25Å; M178-Y213 HydrophobicContact CB-CE1 4Å; M178-Y213 HydrophobicContact CG-CD1 4.04Å; M178-Y213 HydrophobicContact CG-CE1 3.85Å; M178-Y213 PolarHBondContact O-OH 2.66Å; M178-Y213 HydrophobicContact SD-CD1 3.71Å; M178-Y213 HydrophobicContact SD-CE1 4.13Å; I180-Y213 HydrophobicContact CD1-CD2 4.45Å; I180-Y213 HydrophobicContact CD1-CE1 4.43Å; I180-Y213 HydrophobicContact CD1-CE2 3.89Å; I180-Y213 HydrophobicContact CG1-CE1 4.4Å; I180-Y213 HydrophobicContact CG1-CE2 4.26Å; I180-Y213 WeakPolarHBondContact CG1-OH 3.18Å; I180-Y213 HydrophobicContact CG2-CD1 4.32Å; I180-Y213 HydrophobicContact CG2-CE1 3.68Å; I180-Y213 PolarHBondContact N-OH 3.42Å; T185-Y213 PolarHBondContact O-OH 3.36Å; T185-Y213 WeakPolarHBondContact OG1-CE2 3.18Å; T185-Y213 PolarHBondContact OG1-OH 3.38Å; T185-Y213 VanDerWaalsContact OG1-OH 3.12Å; T186-Y213 WeakPolarHBondContact CA-OH 3.39Å; T186-Y213 PolarHBondContact N-OH 3.24Å; A187-Y213 HydrophobicContact CB-CD1 3.59Å; A187-Y213 HydrophobicContact CB-CD2 3.61Å; A187-Y213 HydrophobicContact CB-CE1 3.57Å; A187-Y213 HydrophobicContact CB-CE2 3.63Å; A187-Y213 HydrophobicContact CB-CG 3.61Å; M195-Y213 WeakPolarHBondContact SD-CB 3.41Å; M195-Y213 HydrophobicContact SD-CG 4.16Å; A209-Y213 HydrophobicContact CB-CE2 4.26Å; A209-Y213 WeakPolarHBondContact O-CD2 3.18Å; A209-Y213 PolarHBondContact O-N 3.1Å; A210-Y213 PolarHBondContact O-N 3.21Å; Y213-R215 PolarHBondContact O-N 3.45Å; Y213-V216 PolarHBondContact O-N 2.81Å; Y213-V216 VanDerWaalsContact O-N 3.11Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 3.23Å
214A97.4Very high97Very high4 Ų461.8 Ų61.83%0.03330%0.3CS..Hα-helixtrans-57.4-39.9175.500000111.6L150 A210 R211 V217 Q218 F226L150-A214 HydrophobicContact CD2-CB 3.68Å; A210-A214 PolarHBondContact O-N 3.24Å; R211-A214 PolarHBondContact O-N 2.93Å; A214-V217 PolarHBondContact O-N 3.07Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 2.81Å; A214-F226 HydrophobicContact CB-CD2 4.34Å
215R96.7Very high97Very high145 Ų14562 Ų6255%0.54730%0.299SS..Hα-helixtrans-66.5-37.2176.8-173.356.5171.8169.31.9113R211 K212 Y213 Q218 K219R211-R215 WeakPolarHBondContact O-CB 3.25Å; R211-R215 PolarHBondContact O-N 3.39Å; K212-R215 WeakPolarHBondContact O-CB 3.44Å; K212-R215 PolarHBondContact O-N 2.93Å; Y213-R215 PolarHBondContact O-N 3.45Å; R215-Q218 VanDerWaalsContact CD-OE1 3.29Å; R215-Q218 PolarHBondContact O-N 2.91Å; R215-K219 WeakPolarHBondContact O-CG 3.02Å; R215-K219 PolarHBondContact O-N 2.95Å
216V95.6Very high97Very high53 Ų5362 Ų6232%0.32130%0.298SS..Hα-helixtrans-62.1-46.4173.5172.60000109.9M178 K212 Y213 Q218 K219 L220M178-V216 HydrophobicContact CE-CG1 4.14Å; M178-V216 HydrophobicContact SD-CB 4.39Å; M178-V216 HydrophobicContact SD-CG1 3.93Å; K212-V216 WeakPolarHBondContact O-CG2 3.42Å; K212-V216 PolarHBondContact O-N 2.85Å; Y213-V216 PolarHBondContact O-N 2.81Å; Y213-V216 VanDerWaalsContact O-N 3.11Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 2.93Å; V216-K219 PolarHBondContact O-N 3.01Å; V216-K219 VanDerWaalsContact O-N 3.11Å; V216-L220 HydrophobicContact CG1-CD1 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.91Å; V216-L220 VanDerWaalsContact O-N 3.13Å
217V96.4Very high97Very high0 Ų065.4 Ų65.40%032%0.316CS..Hα-helixtrans-60.9-40.6177.51770000111.6L150 L154 I189 Y213 A214 K219 L220 F222 A224L150-V217 HydrophobicContact CD1-CG1 4.43Å; L150-V217 HydrophobicContact CD1-CG2 4.28Å; L154-V217 HydrophobicContact CD1-CG1 4.23Å; L154-V217 HydrophobicContact CD2-CG1 3.73Å; I189-V217 HydrophobicContact CD1-CG2 4.08Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 3.23Å; A214-V217 PolarHBondContact O-N 3.07Å; V217-K219 PolarHBondContact O-N 2.93Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 3.23Å; V217-F222 HydrophobicContact CG1-CB 3.79Å; V217-F222 HydrophobicContact CG1-CD2 4.05Å; V217-F222 HydrophobicContact CG1-CG 4.22Å; V217-F222 PolarHBondContact O-N 2.88Å; V217-A224 HydrophobicContact CB-CB 4.21Å; V217-A224 HydrophobicContact CG1-CB 3.75Å
218Q96.6Very high96.9Very high71 Ų7164.8 Ų64.833%0.33232%0.323SS..Hα-helixtrans-59.9-44.2172.6-72.4175.2-6.100112.7A214 R215 V216 L220 G221 F222 A224A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 2.81Å; R215-Q218 VanDerWaalsContact CD-OE1 3.29Å; R215-Q218 PolarHBondContact O-N 2.91Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 2.93Å; Q218-L220 PolarHBondContact O-N 3.37Å; Q218-G221 PolarHBondContact O-N 3.37Å; Q218-F222 WeakPolarHBondContact CA-O 2.79Å; Q218-A224 HydrophobicContact CG-CB 4.03Å; Q218-A224 WeakPolarHBondContact CG-O 3.45Å; Q218-A224 PolarHBondContact NE2-O 3.11Å
219K96.1Very high96.9Very high156 Ų15662.7 Ų62.768%0.67831%0.311SS*.Hα-helixtrans-65.2-21.2178.3-75.6-175.1174.3-170.40113.4R215 V216 V217 G221R215-K219 WeakPolarHBondContact O-CG 3.02Å; R215-K219 PolarHBondContact O-N 2.95Å; V216-K219 PolarHBondContact O-N 3.01Å; V216-K219 VanDerWaalsContact O-N 3.11Å; V217-K219 PolarHBondContact O-N 2.93Å; K219-G221 PolarHBondContact O-N 3.22Å
220L95.1Very high96.9Very high22 Ų2268.1 Ų68.112%0.11533%0.334CS..THydrogen-bonded Turntrans-78.8-4172.7-64.9174.4000112.9I159 R162 A163 V216 V217 Q218 F222I159-L220 HydrophobicContact CB-CD1 4.4Å; I159-L220 HydrophobicContact CG1-CD1 4.21Å; I159-L220 HydrophobicContact CG2-CD1 4.07Å; R162-L220 HydrophobicContact CB-CD2 3.61Å; R162-L220 PolarHBondContact NH1-O 2.96Å; A163-L220 HydrophobicContact CB-CD1 4.46Å; V216-L220 HydrophobicContact CG1-CD1 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.91Å; V216-L220 VanDerWaalsContact O-N 3.13Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 3.23Å; Q218-L220 PolarHBondContact O-N 3.37Å; L220-F222 HydrophobicContact CB-CD2 3.87Å; L220-F222 HydrophobicContact CB-CE2 3.96Å
221G95.4Very high96.9Very high66 Ų6669.3 Ų69.368%0.6834%0.34SS*.THydrogen-bonded Turntrans985.5176.800000114.6Q218 K219Q218-G221 PolarHBondContact O-N 3.37Å; K219-G221 PolarHBondContact O-N 3.22Å
222F96.5Very high96.8Very high34 Ų3465.7 Ų65.715%0.14933%0.33CS..  trans-86.2140.2175.7-60.8-81.1000110.8L154 D155 T158 I159 V217 Q218 L220 A224L154-F222 HydrophobicContact CD2-CB 3.68Å; L154-F222 HydrophobicContact CD2-CD1 3.67Å; L154-F222 HydrophobicContact CD2-CD2 4.24Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CG 3.59Å; D155-F222 HydrophobicContact CB-CE1 4.47Å; T158-F222 HydrophobicContact CG2-CE2 4.49Å; T158-F222 HydrophobicContact CG2-CZ 4.09Å; I159-F222 HydrophobicContact CD1-CD2 4.44Å; I159-F222 HydrophobicContact CD1-CE2 4.06Å; I159-F222 HydrophobicContact CD1-CZ 4.41Å; I159-F222 HydrophobicContact CG1-CD2 4.2Å; I159-F222 HydrophobicContact CG1-CE2 3.46Å; I159-F222 VanDerWaalsContact CG1-CE2 3.46Å; I159-F222 HydrophobicContact CG1-CZ 3.91Å; V217-F222 HydrophobicContact CG1-CB 3.79Å; V217-F222 HydrophobicContact CG1-CD2 4.05Å; V217-F222 HydrophobicContact CG1-CG 4.22Å; V217-F222 PolarHBondContact O-N 2.88Å; Q218-F222 WeakPolarHBondContact CA-O 2.79Å; L220-F222 HydrophobicContact CB-CD2 3.87Å; L220-F222 HydrophobicContact CB-CE2 3.96Å; F222-A224 PolarHBondContact O-N 3.38Å
223P96.7Very high96.8Very high100 Ų10063.5 Ų63.565%0.64932%0.322SS*.  trans-77.554.6178.933.6-36.8000111.7C152C152-P223 HydrophobicContact CB-CG 4.12Å
224A97.1Very high96.7Very high5 Ų563.5 Ų63.54%0.04132%0.322CS..  trans-72.9136.6-177.800000111.8L150 V217 Q218 F222L150-A224 HydrophobicContact CB-CB 4.13Å; L150-A224 HydrophobicContact CD2-CB 4.34Å; L150-A224 CarbonylContact O-C 3.54Å; L150-A224 WeakPolarHBondContact O-CA 3.17Å; V217-A224 HydrophobicContact CB-CB 4.21Å; V217-A224 HydrophobicContact CG1-CB 3.75Å; Q218-A224 HydrophobicContact CG-CB 4.03Å; Q218-A224 WeakPolarHBondContact CG-O 3.45Å; Q218-A224 PolarHBondContact NE2-O 3.11Å; F222-A224 PolarHBondContact O-N 3.38Å
225K96.5Very high96.7Very high127 Ų12763.6 Ų63.655%0.55232%0.322SS*.  trans-112.1170175.4-63-179.1-179.4179.10109.8L150 L227L150-K225 VanDerWaalsContact CA-O 3.32Å; L150-K225 WeakPolarHBondContact CA-O 3.47Å; L150-K225 PolarHBondContact O-N 3.05Å; K225-L227 HydrophobicContact CB-CD1 4.06Å; K225-L227 HydrophobicContact CB-CD2 4.23Å; K225-L227 HydrophobicContact CB-CG 3.83Å; K225-L227 HydrophobicContact CD-CD1 4.31Å
226F97.8Very high96.7Very high70 Ų7056.7 Ų56.731%0.30730%0.296SS..  trans-11487.1174.9-171-93.4000108.4V148 R207 A210 R211 A214 F229V148-F226 HydrophobicContact CB-CE2 4.42Å; V148-F226 HydrophobicContact CG2-CD2 3.69Å; V148-F226 HydrophobicContact CG2-CE2 3.7Å; V148-F226 HydrophobicContact CG2-CG 4.14Å; V148-F226 HydrophobicContact CG2-CZ 4.15Å; R207-F226 HydrophobicContact CG-CZ 4.17Å; A210-F226 HydrophobicContact CB-CE2 3.8Å; A210-F226 HydrophobicContact CB-CZ 4.33Å; R211-F226 HydrophobicContact CB-CE2 4.33Å; R211-F226 HydrophobicContact CG-CD1 4.45Å; R211-F226 HydrophobicContact CG-CD2 3.78Å; R211-F226 HydrophobicContact CG-CE1 4.2Å; R211-F226 HydrophobicContact CG-CE2 3.48Å; R211-F226 VanDerWaalsContact CG-CE2 3.48Å; R211-F226 HydrophobicContact CG-CG 4.25Å; R211-F226 HydrophobicContact CG-CZ 3.71Å; A214-F226 HydrophobicContact CB-CD2 4.34Å; F226-F229 HydrophobicContact CE1-CB 3.58Å; F226-F229 HydrophobicContact CE1-CD2 4.32Å; F226-F229 HydrophobicContact CE1-CG 4.06Å; F226-F229 HydrophobicContact CE2-CD2 4.3Å; F226-F229 HydrophobicContact CZ-CB 3.69Å; F226-F229 AromaticContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CE2 4.43Å; F226-F229 AromaticContact CZ-CG 3.76Å; F226-F229 HydrophobicContact CZ-CG 3.76Å
227L97.8Very high96.8Very high72 Ų7255.5 Ų55.538%0.37729%0.29SS..EExtended strand (participates in β ladder)trans-115.6151.7-173.8-53.3175.8000110.4V148 N149 K225 F229V148-L227 WeakPolarHBondContact CG2-O 3.24Å; N149-L227 HydrophobicContact CB-CB 4.21Å; N149-L227 PolarHBondContact N-O 3.28Å; N149-L227 WeakPolarHBondContact O-CB 3.14Å; N149-L227 PolarHBondContact O-N 3.41Å; K225-L227 HydrophobicContact CB-CD1 4.06Å; K225-L227 HydrophobicContact CB-CD2 4.23Å; K225-L227 HydrophobicContact CB-CG 3.83Å; K225-L227 HydrophobicContact CD-CD1 4.31Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.3Å; L227-F229 VanDerWaalsContact O-N 3.15Å
228D96.4Very high96.8Very high122 Ų12256.2 Ų56.265%0.65230%0.295SS*.EExtended strand (participates in β ladder)trans51.739.9170.5-50-35.5000115N149 K230N149-D228 HydrophobicContact CB-CB 4.28Å; D228-K230 PolarHBondContact O-N 3Å
229F98.2Very high96.8Very high38 Ų3854.8 Ų54.817%0.16729%0.289CS..EExtended strand (participates in β ladder)trans-63.9123.3174.2176.8-92.5000110.2T147 V148 R207 A210 F226 L227 I231T147-F229 WeakPolarHBondContact O-CA 3.4Å; V148-F229 HydrophobicContact CB-CD2 4.33Å; V148-F229 HydrophobicContact CG2-CB 4.34Å; R207-F229 HydrophobicContact CB-CE1 3.97Å; R207-F229 HydrophobicContact CB-CE2 4.14Å; R207-F229 HydrophobicContact CB-CZ 3.68Å; R207-F229 HydrophobicContact CG-CD1 4.39Å; R207-F229 HydrophobicContact CG-CE1 4.18Å; R207-F229 HydrophobicContact CG-CE2 4.44Å; R207-F229 HydrophobicContact CG-CZ 4.21Å; A210-F229 HydrophobicContact CB-CD2 4.19Å; A210-F229 HydrophobicContact CB-CE2 4.01Å; F226-F229 HydrophobicContact CE1-CB 3.58Å; F226-F229 HydrophobicContact CE1-CD2 4.32Å; F226-F229 HydrophobicContact CE1-CG 4.06Å; F226-F229 HydrophobicContact CE2-CD2 4.3Å; F226-F229 HydrophobicContact CZ-CB 3.69Å; F226-F229 AromaticContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CE2 4.43Å; F226-F229 AromaticContact CZ-CG 3.76Å; F226-F229 HydrophobicContact CZ-CG 3.76Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.3Å; L227-F229 VanDerWaalsContact O-N 3.15Å; F229-I231 HydrophobicContact CE1-CD1 3.85Å; F229-I231 HydrophobicContact CZ-CD1 3.7Å
230K97.3Very high96.8Very high113 Ų11347.4 Ų47.449%0.49126%0.258SS..EExtended strand (participates in β ladder)trans-144.2136.2-177.7-174.1170.7-177.9173.90111.5S146 T147 D228S146-K230 CarbonylContact C-O 3.58Å; S146-K230 VanDerWaalsContact CA-O 3.24Å; S146-K230 WeakPolarHBondContact CA-O 3.37Å; S146-K230 WeakPolarHBondContact CB-O 3.35Å; T147-K230 PolarHBondContact N-O 3.02Å; T147-K230 PolarHBondContact O-N 3.33Å; D228-K230 PolarHBondContact O-N 3Å
231I97.7Very high96.8Very high26 Ų2653.8 Ų53.813%0.13328%0.284CS..EExtended strand (participates in β ladder)trans-74.7126.5167.4-55.3-52.2000108.5I144 F229 M234I144-I231 HydrophobicContact CG2-CD1 3.82Å; I144-I231 HydrophobicContact CG2-CG2 4.07Å; F229-I231 HydrophobicContact CE1-CD1 3.85Å; F229-I231 HydrophobicContact CZ-CD1 3.7Å; I231-M234 HydrophobicContact CG2-CG 3.7Å; I231-M234 HydrophobicContact CG2-SD 4.27Å
232Q96.6Very high96.8Very high77 Ų7751.4 Ų51.436%0.3626%0.255SS..EExtended strand (participates in β ladder)trans-101.7-36-179.3-64.4-63.1-1100112V145 T147V145-Q232 HydrophobicContact CG1-CB 4.38Å; V145-Q232 PolarHBondContact O-N 3.34Å; T147-Q232 HydrophobicContact CG2-CG 3.57Å; T147-Q232 PolarHBondContact OG1-NE2 2.69Å
233N96.5Very high96.9Very high32 Ų3252.1 Ų52.117%0.17126%0.263CS..EExtended strand (participates in β ladder)trans-153.5147.4178.9-172.545.5000111.1V145 T289 G290 A291V145-N233 HydrophobicContact CB-CB 4.09Å; V145-N233 HydrophobicContact CG2-CB 4.3Å; V145-N233 PolarHBondContact N-O 2.87Å; V145-N233 PolarHBondContact O-N 3.19Å; N233-T289 PolarHBondContact ND2-OG1 3.29Å; N233-G290 WeakPolarHBondContact OD1-CA 3.47Å; N233-G290 PolarHBondContact OD1-N 3.49Å; N233-A291 CarbonylContact C-O 3.47Å; N233-A291 VanDerWaalsContact CA-O 3.3Å; N233-A291 WeakPolarHBondContact CA-O 3.3Å
234M97.3Very high96.9Very high1 Ų147.4 Ų47.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-128138.5171.6-57.5-18076.100108.4L141 I144 E203 I231 A291 V293 R294L141-M234 HydrophobicContact CD1-CE 3.4Å; L141-M234 VanDerWaalsContact CD1-CE 3.4Å; L141-M234 HydrophobicContact CD2-CB 4.43Å; L141-M234 HydrophobicContact CD2-CE 3.79Å; L141-M234 HydrophobicContact CG-CE 4.26Å; I144-M234 HydrophobicContact CD1-CE 3.84Å; I144-M234 HydrophobicContact CG1-CE 4.32Å; I144-M234 HydrophobicContact CG1-CG 4.36Å; E203-M234 VanDerWaalsContact CD-CE 3.46Å; E203-M234 HydrophobicContact CG-CE 3.92Å; E203-M234 WeakPolarHBondContact OE1-CE 3Å; I231-M234 HydrophobicContact CG2-CG 3.7Å; I231-M234 HydrophobicContact CG2-SD 4.27Å; M234-A291 HydrophobicContact CB-CB 4.23Å; M234-A291 PolarHBondContact N-O 3Å; M234-V293 VanDerWaalsContact SD-C 3.58Å; M234-R294 HydrophobicContact CE-CB 4.01Å; M234-R294 PolarHBondContact SD-N 2.87Å; M234-R294 VanDerWaalsContact SD-N 3.42Å
235V96.8Very high96.9Very high5 Ų553.6 Ų53.63%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-117.5121.5177.1-174.50000108.1Q142 N143 V287 L288Q142-V235 PolarHBondContact N-O 3.35Å; N143-V235 HydrophobicContact CB-CB 4.14Å; N143-V235 HydrophobicContact CB-CG2 4.28Å; N143-V235 PolarHBondContact N-O 3.33Å; N143-V235 PolarHBondContact O-N 2.95Å; V235-V287 HydrophobicContact CG1-CG1 3.85Å; V235-L288 CarbonylContact C-O 3.49Å; V235-L288 VanDerWaalsContact CA-O 3.31Å; V235-L288 WeakPolarHBondContact CA-O 3.32Å
236G97.1Very high96.9Very high0 Ų047.6 Ų47.60%023%0.229CC..EExtended strand (participates in β ladder)trans-107.8155.7173.700000111.6T140 V287 L288T140-G236 CarbonylContact O-C 3.48Å; T140-G236 VanDerWaalsContact O-CA 3.26Å; T140-G236 WeakPolarHBondContact O-CA 3.23Å; G236-V287 CarbonylContact O-C 3.6Å; G236-V287 WeakPolarHBondContact O-CA 3.45Å; G236-L288 PolarHBondContact N-O 2.92Å; G236-L288 PolarHBondContact O-N 3.24Å
237S96.8Very high96.7Very high28 Ų2848.8 Ų48.820%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-140.4152.1166.872.20000111.7T140 Q142 V286T140-S237 PolarHBondContact N-O 3.42Å; T140-S237 PolarHBondContact O-N 2.96Å; T140-S237 PolarHBondContact OG1-O 3.37Å; T140-S237 VanDerWaalsContact OG1-O 3.05Å; Q142-S237 WeakPolarHBondContact CG-OG 3.41Å; Q142-S237 PolarHBondContact NE2-OG 3.12Å; S237-V286 CarbonylContact C-O 3.58Å; S237-V286 VanDerWaalsContact CA-O 3.25Å; S237-V286 WeakPolarHBondContact CA-O 3.5Å
238C96.9Very high96.6Very high15 Ų1546.1 Ų46.110%0.10123%0.226CC..EExtended strand (participates in β ladder)trans-149.5171.1174.254.30000110I137 P139 V286 F301I137-C238 HydrophobicContact CG2-CB 4.08Å; P139-C238 HydrophobicContact CB-CB 4.32Å; P139-C238 HydrophobicContact CG-CB 4.34Å; C238-V286 PolarHBondContact N-O 3.06Å; C238-V286 PolarHBondContact O-N 3.45Å; C238-F301 HydrophobicContact CB-CE2 4.21Å; C238-F301 WeakPolarHBondContact SG-CD2 3.39Å; C238-F301 WeakPolarHBondContact SG-CE2 3.44Å
239D96.9Very high96.5Very high41 Ų4140.3 Ų40.322%0.21920%0.195CC..EExtended strand (participates in β ladder)trans-133.9117.9176.1177.12.8000107.6K241 K285D239-K241 HydrophobicContact CB-CD 4.35Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-K241 PolarHBondContact OD1-N 3.46Å; D239-K241 WeakPolarHBondContact OD2-CD 3.37Å; D239-K241 WeakPolarHBondContact OD2-CE 3.23Å; D239-K241 IonicContact OD2-NZ 3.62Å; D239-K241 PolarHBondContact OD2-NZ 3.04Å; D239-K285 HydrophobicContact CB-CG 4.44Å
240V95.6Very high96.4Very high2 Ų240.1 Ų40.11%0.01220%0.196CC..  trans-75.6-6.3-178.3-54.30000113.2F242 I244 G284 V286 F301 Y305 L308V240-F242 VanDerWaalsContact C-N 3.27Å; V240-F242 HydrophobicContact CB-CD1 4.27Å; V240-F242 HydrophobicContact CB-CE1 3.75Å; V240-F242 HydrophobicContact CB-CE2 4.39Å; V240-F242 HydrophobicContact CB-CZ 3.81Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CD2 3.88Å; V240-F242 HydrophobicContact CG2-CE1 3.77Å; V240-F242 HydrophobicContact CG2-CE2 3.6Å; V240-F242 HydrophobicContact CG2-CG 4.09Å; V240-F242 HydrophobicContact CG2-CZ 3.54Å; V240-F242 WeakPolarHBondContact O-CD1 3.43Å; V240-F242 VanDerWaalsContact O-CE1 3.23Å; V240-F242 WeakPolarHBondContact O-CE1 3.3Å; V240-F242 PolarHBondContact O-N 2.88Å; V240-I244 HydrophobicContact CG2-CD1 3.93Å; V240-I244 HydrophobicContact CG2-CG1 4.34Å; V240-G284 WeakPolarHBondContact CG2-O 3.45Å; V240-G284 PolarHBondContact N-O 2.7Å; V240-V286 HydrophobicContact CG1-CG2 4.27Å; V240-F301 HydrophobicContact CG1-CE2 4.03Å; V240-F301 HydrophobicContact CG1-CZ 4.24Å; V240-Y305 HydrophobicContact CB-CE2 4.23Å; V240-Y305 HydrophobicContact CG1-CD2 4.06Å; V240-Y305 HydrophobicContact CG1-CE2 4.21Å; V240-L308 HydrophobicContact CG1-CD1 4.11Å
241K95.2Very high96.3Very high156 Ų15641.3 Ų41.368%0.67821%0.207SC*.SBendtrans66.520.4175.3-51-61.9174.4-173.50115.4D239D239-K241 HydrophobicContact CB-CD 4.35Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-K241 PolarHBondContact OD1-N 3.46Å; D239-K241 WeakPolarHBondContact OD2-CD 3.37Å; D239-K241 WeakPolarHBondContact OD2-CE 3.23Å; D239-K241 IonicContact OD2-NZ 3.62Å; D239-K241 PolarHBondContact OD2-NZ 3.04Å
242F95.8Very high96.2Very high16 Ų1644.5 Ų44.57%0.0723%0.228CC..SBendtrans-148.6149.8171.355.3-99.8000111.4V240 I244 G284 Y305 L308 K309 R312V240-F242 VanDerWaalsContact C-N 3.27Å; V240-F242 HydrophobicContact CB-CD1 4.27Å; V240-F242 HydrophobicContact CB-CE1 3.75Å; V240-F242 HydrophobicContact CB-CE2 4.39Å; V240-F242 HydrophobicContact CB-CZ 3.81Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CD2 3.88Å; V240-F242 HydrophobicContact CG2-CE1 3.77Å; V240-F242 HydrophobicContact CG2-CE2 3.6Å; V240-F242 HydrophobicContact CG2-CG 4.09Å; V240-F242 HydrophobicContact CG2-CZ 3.54Å; V240-F242 WeakPolarHBondContact O-CD1 3.43Å; V240-F242 VanDerWaalsContact O-CE1 3.23Å; V240-F242 WeakPolarHBondContact O-CE1 3.3Å; V240-F242 PolarHBondContact O-N 2.88Å; F242-I244 HydrophobicContact CD2-CG1 4.2Å; F242-I244 HydrophobicContact CE2-CG1 4.07Å; F242-G284 WeakPolarHBondContact O-CA 3.14Å; F242-Y305 HydrophobicContact CE1-CE2 4.28Å; F242-L308 WeakPolarHBondContact CE2-O 3.45Å; F242-K309 HydrophobicContact CZ-CB 4.16Å; F242-R312 HydrophobicContact CB-CG 3.98Å; F242-R312 HydrophobicContact CD2-CB 3.76Å; F242-R312 HydrophobicContact CD2-CG 3.72Å; F242-R312 HydrophobicContact CE2-CB 4.05Å; F242-R312 HydrophobicContact CE2-CG 4.47Å; F242-R312 HydrophobicContact CG-CB 4.43Å; F242-R312 HydrophobicContact CG-CG 3.97Å
243P97.2Very high96.1Very high49 Ų4942.7 Ų42.732%0.31822%0.22SC..  trans-71145.117728.4-34.2000111.9V282 R312 K313P243-V282 CarbonylContact C-O 3.58Å; P243-V282 VanDerWaalsContact CA-O 3.23Å; P243-V282 WeakPolarHBondContact CA-O 3.28Å; P243-R312 WeakPolarHBondContact O-CA 3.3Å; P243-K313 HydrophobicContact CB-CB 4.4Å; P243-K313 HydrophobicContact CG-CB 4.16Å; P243-K313 PolarHBondContact O-N 2.79Å
244I97.3Very high96Very high0 Ų048.2 Ų48.20%024%0.244CC..BIsolated β-bridgetrans-117138.2-173.9-53.7171000110.3V240 F242 L246 I280 V282 L308 F311 K313V240-I244 HydrophobicContact CG2-CD1 3.93Å; V240-I244 HydrophobicContact CG2-CG1 4.34Å; F242-I244 HydrophobicContact CD2-CG1 4.2Å; F242-I244 HydrophobicContact CE2-CG1 4.07Å; I244-L246 HydrophobicContact CB-CD2 4.3Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 PolarHBondContact O-N 3.4Å; I244-I280 HydrophobicContact CD1-CG2 3.66Å; I244-V282 PolarHBondContact N-O 2.92Å; I244-L308 HydrophobicContact CD1-CB 4.15Å; I244-L308 HydrophobicContact CD1-CD1 4.06Å; I244-L308 HydrophobicContact CD1-CD2 4.2Å; I244-L308 HydrophobicContact CD1-CG 4.34Å; I244-F311 HydrophobicContact CG2-CB 4.09Å; I244-K313 WeakPolarHBondContact O-CE 3.33Å
245R96.8Very high96Very high136 Ų13656.5 Ų56.551%0.51328%0.283SS..  trans-84.488.7172.1-167.9-177.6-64.1-174.6-0.7110.6E247 G248 L249 F311 K313R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.43Å; R245-G248 PolarHBondContact O-N 2.91Å; R245-L249 PolarHBondContact O-N 3.3Å; R245-F311 PolarHBondContact N-O 2.87Å; R245-K313 VanDerWaalsContact CA-CE 3.48Å; R245-K313 HydrophobicContact CB-CG 3.9Å
246L96.2Very high95.9Very high0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-65.4-31.3-176.7-60.6-174.3000112.9I244 G248 L249 V250 Y259 L267 I280 V282I244-L246 HydrophobicContact CB-CD2 4.3Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 PolarHBondContact O-N 3.4Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.89Å; L246-L249 PolarHBondContact O-N 2.9Å; L246-V250 WeakPolarHBondContact O-CG1 3.3Å; L246-V250 PolarHBondContact O-N 2.59Å; L246-Y259 HydrophobicContact CB-CD1 4.2Å; L246-Y259 HydrophobicContact CB-CE1 3.97Å; L246-Y259 HydrophobicContact CB-CE2 4.37Å; L246-Y259 HydrophobicContact CB-CG 4.48Å; L246-Y259 HydrophobicContact CD1-CD2 4.14Å; L246-Y259 HydrophobicContact CD1-CE2 3.63Å; L246-L267 HydrophobicContact CB-CD1 4.26Å; L246-L267 HydrophobicContact CD1-CB 4.07Å; L246-L267 HydrophobicContact CD2-CB 4.06Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L246-L267 HydrophobicContact CG-CB 4.46Å; L246-I280 HydrophobicContact CD2-CB 4.39Å; L246-I280 HydrophobicContact CD2-CG2 3.81Å; L246-V282 HydrophobicContact CD1-CG2 3.51Å; L246-V282 HydrophobicContact CG-CG2 3.98Å
247E94.8Very high95.8Very high95 Ų9559.8 Ų59.844%0.44430%0.298SS..Hα-helixtrans-63.1-39.7178.4-55.377.5-168.800111.2R245 V250 L251 Y259R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.43Å; E247-V250 VanDerWaalsContact O-CG1 3.31Å; E247-V250 WeakPolarHBondContact O-CG1 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.19Å; E247-L251 PolarHBondContact O-N 3.14Å; E247-Y259 HydrophobicContact CG-CE1 4.48Å
248G94.6Very high95.8Very high17 Ų1760.9 Ų60.918%0.17531%0.306CS..Hα-helixtrans-69.6-41.6173.300000111.9R245 L246 V250 L251 T252 F311R245-G248 PolarHBondContact O-N 2.91Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.89Å; G248-V250 PolarHBondContact O-N 3.28Å; G248-L251 PolarHBondContact O-N 2.83Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 PolarHBondContact O-OG1 2.87Å; G248-F311 VanDerWaalsContact C-CE1 3.4Å; G248-F311 WeakPolarHBondContact O-CE1 3.31Å
249L95.8Very high95.8Very high0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-61.8-45.6-179.7-166.897.3000111.9R245 L246 L251 T252 H253 L267 Y269 I280 I307 L308 F311R245-L249 PolarHBondContact O-N 3.3Å; L246-L249 PolarHBondContact O-N 2.9Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-T252 PolarHBondContact O-N 2.97Å; L249-H253 WeakPolarHBondContact O-CB 3.23Å; L249-H253 PolarHBondContact O-N 3.1Å; L249-L267 HydrophobicContact CB-CD1 4.18Å; L249-L267 HydrophobicContact CD2-CD1 3.52Å; L249-L267 HydrophobicContact CD2-CD2 3.58Å; L249-L267 HydrophobicContact CD2-CG 4.18Å; L249-L267 HydrophobicContact CG-CD1 4.35Å; L249-Y269 HydrophobicContact CD2-CD2 4.4Å; L249-I280 HydrophobicContact CD2-CD1 4.05Å; L249-I307 HydrophobicContact CD1-CG2 3.75Å; L249-L308 HydrophobicContact CD1-CD2 3.99Å; L249-F311 HydrophobicContact CB-CD2 4.46Å; L249-F311 HydrophobicContact CB-CG 4.42Å; L249-F311 HydrophobicContact CD1-CD2 3.46Å; L249-F311 VanDerWaalsContact CD1-CD2 3.46Å; L249-F311 HydrophobicContact CD1-CE2 3.83Å; L249-F311 HydrophobicContact CD1-CG 4.11Å; L249-F311 HydrophobicContact CG-CD2 4.5Å
250V95.6Very high95.7Very high34 Ų3465.3 Ų65.321%0.20632%0.322CS..Hα-helixtrans-67.5-35.4179.468.30000111.8L246 E247 G248 H253 Q254 L267L246-V250 WeakPolarHBondContact O-CG1 3.3Å; L246-V250 PolarHBondContact O-N 2.59Å; E247-V250 VanDerWaalsContact O-CG1 3.31Å; E247-V250 WeakPolarHBondContact O-CG1 3.39Å; G248-V250 PolarHBondContact O-N 3.28Å; V250-H253 CarbonylContact O-C 3.49Å; V250-Q254 WeakPolarHBondContact O-CA 3.38Å; V250-Q254 VanDerWaalsContact O-CB 3.3Å; V250-Q254 WeakPolarHBondContact O-CB 3.28Å; V250-Q254 PolarHBondContact O-N 3.36Å; V250-L267 HydrophobicContact CB-CD1 3.96Å
251L95.1Very high95.6Very high137 Ų13768.2 Ų68.272%0.71734%0.341SS*.Hα-helixtrans-65.1-44.4177.2-175.266.3000111.3E247 G248 L249E247-L251 WeakPolarHBondContact O-CB 3.19Å; E247-L251 PolarHBondContact O-N 3.14Å; G248-L251 PolarHBondContact O-N 2.83Å; L249-L251 VanDerWaalsContact C-N 3.34Å
252T95.7Very high95.5Very high93 Ų9369.4 Ų69.457%0.57135%0.349SS*.Hα-helixtrans-77.1-36.8-180-53.40000112.8G248 L249 F311G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 PolarHBondContact O-OG1 2.87Å; L249-T252 PolarHBondContact O-N 2.97Å; T252-F311 HydrophobicContact CG2-CZ 4.26Å
253H95.1Very high95.4Very high40 Ų4075.3 Ų75.319%0.18538%0.381CS..THydrogen-bonded Turntrans-112.440.2-177-63.2112000112.9L249 V250 Q255 F256 S257 Y269 I307L249-H253 WeakPolarHBondContact O-CB 3.23Å; L249-H253 PolarHBondContact O-N 3.1Å; V250-H253 CarbonylContact O-C 3.49Å; H253-Q255 PolarHBondContact O-N 3.22Å; H253-Q255 VanDerWaalsContact O-N 3.16Å; H253-F256 PolarHBondContact O-N 2.84Å; H253-S257 WeakPolarHBondContact CB-OG 3.47Å; H253-S257 WeakPolarHBondContact O-CB 3.43Å; H253-S257 PolarHBondContact O-N 2.98Å; H253-S257 PolarHBondContact O-OG 2.91Å; H253-Y269 HydrophobicContact CB-CE2 3.92Å; H253-I307 WeakPolarHBondContact CE1-CG2 3.48Å
254Q94.6Very high95.3Very high147 Ų14774 Ų7469%0.68737%0.37SS*.THydrogen-bonded Turntrans-57.9-33-173.5-165.717727.200113.4V250 F256V250-Q254 WeakPolarHBondContact O-CA 3.38Å; V250-Q254 VanDerWaalsContact O-CB 3.3Å; V250-Q254 WeakPolarHBondContact O-CB 3.28Å; V250-Q254 PolarHBondContact O-N 3.36Å; Q254-F256 VanDerWaalsContact C-N 3.25Å; Q254-F256 PolarHBondContact O-N 3.33Å
255Q95.4Very high95.1Very high176 Ų17678.2 Ų78.282%0.82240%0.397SS*.THydrogen-bonded Turntrans-65.6-27.3179.4-66.4-176.8-20.700113.5H253H253-Q255 PolarHBondContact O-N 3.22Å; H253-Q255 VanDerWaalsContact O-N 3.16Å
256F95.3Very high95.1Very high68 Ų6871.7 Ų71.730%0.29837%0.372SS..THydrogen-bonded Turntrans-110.8-15.1-177.1-51-56.9000112.7H253 Q254 Y269 R270 I272H253-F256 PolarHBondContact O-N 2.84Å; Q254-F256 VanDerWaalsContact C-N 3.25Å; Q254-F256 PolarHBondContact O-N 3.33Å; F256-Y269 HydrophobicContact CB-CD2 4.49Å; F256-Y269 HydrophobicContact CB-CE1 4.22Å; F256-Y269 HydrophobicContact CB-CE2 4.09Å; F256-Y269 CarbonylContact O-C 3.57Å; F256-Y269 WeakPolarHBondContact O-CA 3.46Å; F256-R270 PolarHBondContact O-N 3.08Å; F256-I272 HydrophobicContact CD1-CD1 4.19Å; F256-I272 HydrophobicContact CD1-CG1 4.41Å; F256-I272 HydrophobicContact CE1-CD1 3.52Å; F256-I272 HydrophobicContact CE1-CG1 4.17Å; F256-I272 HydrophobicContact CZ-CD1 4.39Å
257S96.4Very high95.2Very high6 Ų671.7 Ų71.74%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-110.1142.8-170.1-54.30000111.8H253 I268 Y269H253-S257 WeakPolarHBondContact CB-OG 3.47Å; H253-S257 WeakPolarHBondContact O-CB 3.43Å; H253-S257 PolarHBondContact O-N 2.98Å; H253-S257 PolarHBondContact O-OG 2.91Å; S257-I268 CarbonylContact C-O 3.57Å; S257-I268 VanDerWaalsContact CA-O 3.3Å; S257-I268 WeakPolarHBondContact CA-O 3.32Å; S257-Y269 VanDerWaalsContact OG-CD2 3.3Å; S257-Y269 WeakPolarHBondContact OG-CD2 3.46Å
258S96.2Very high95.3Very high51 Ų5167.2 Ų67.236%0.35735%0.352SS..EExtended strand (participates in β ladder)trans-135.9123.1169.3-520000108.2I268S258-I268 PolarHBondContact N-O 2.91Å; S258-I268 PolarHBondContact O-N 3.3Å
259Y96.9Very high95.5Very high37 Ų3767.2 Ų67.215%0.14535%0.346CS..  trans-138.7108.6-178.3179.6-123.7000109.6L246 E247 P261 L267L246-Y259 HydrophobicContact CB-CD1 4.2Å; L246-Y259 HydrophobicContact CB-CE1 3.97Å; L246-Y259 HydrophobicContact CB-CE2 4.37Å; L246-Y259 HydrophobicContact CB-CG 4.48Å; L246-Y259 HydrophobicContact CD1-CD2 4.14Å; L246-Y259 HydrophobicContact CD1-CE2 3.63Å; E247-Y259 HydrophobicContact CG-CE1 4.48Å; Y259-P261 HydrophobicContact CE1-CB 4.47Å; Y259-P261 HydrophobicContact CE1-CG 4.21Å; Y259-P261 HydrophobicContact CE2-CB 4.16Å; Y259-L267 HydrophobicContact CD2-CB 3.97Å; Y259-L267 HydrophobicContact CG-CB 4.27Å; Y259-L267 HydrophobicContact CG-CD1 4.42Å
260E94.4Very high95.6Very high112 Ų11271.2 Ų71.252%0.52336%0.361SS..  trans-129.684.9179.9-66.1-64.1165.100106.9E262 L263 F264E260-E262 PolarHBondContact O-N 3.04Å; E260-E262 VanDerWaalsContact O-N 3.14Å; E260-L263 HydrophobicContact CB-CB 4.14Å; E260-L263 HydrophobicContact CB-CD1 4.03Å; E260-L263 HydrophobicContact CB-CG 4.23Å; E260-L263 HydrophobicContact CG-CD1 4.43Å; E260-L263 PolarHBondContact O-N 3.1Å; E260-F264 PolarHBondContact O-N 3.38Å
261P92.5Very high95.6Very high63 Ų6370.5 Ų70.541%0.40936%0.356SS..THydrogen-bonded Turntrans-60.2-27.4-169.421.6-32.5000113.7Y259 L263 F264Y259-P261 HydrophobicContact CE1-CB 4.47Å; Y259-P261 HydrophobicContact CE1-CG 4.21Å; Y259-P261 HydrophobicContact CE2-CB 4.16Å; P261-L263 VanDerWaalsContact C-N 3.3Å; P261-L263 PolarHBondContact O-N 3.25Å; P261-F264 WeakPolarHBondContact CA-O 3.12Å
262E94.4Very high95.5Very high181 Ų18170.1 Ų70.185%0.84635%0.353SS*.THydrogen-bonded Turntrans-66.5-30.2174.2-60.8-57145.100112.7E260E260-E262 PolarHBondContact O-N 3.04Å; E260-E262 VanDerWaalsContact O-N 3.14Å
263L94.1Very high95.3Very high140 Ų14073.5 Ų73.573%0.73336%0.36SS*.THydrogen-bonded Turntrans-93-40.2178.3-63.9179.2000111.9E260 P261E260-L263 HydrophobicContact CB-CB 4.14Å; E260-L263 HydrophobicContact CB-CD1 4.03Å; E260-L263 HydrophobicContact CB-CG 4.23Å; E260-L263 HydrophobicContact CG-CD1 4.43Å; E260-L263 PolarHBondContact O-N 3.1Å; P261-L263 VanDerWaalsContact C-N 3.3Å; P261-L263 PolarHBondContact O-N 3.25Å
264F94.3Very high95.3Very high22 Ų2272.2 Ų72.210%0.09636%0.355CS..  trans-154.8130.7-177.9-179.3-110.4000111.6Y73 I80 E260 P261 G266 I268 L279 F281Y73-F264 HydrophobicContact CD1-CB 4.29Å; Y73-F264 HydrophobicContact CD1-CG 4.49Å; Y73-F264 HydrophobicContact CE1-CB 3.54Å; Y73-F264 HydrophobicContact CE1-CD1 4.02Å; Y73-F264 AromaticContact CE1-CG 3.84Å; Y73-F264 HydrophobicContact CE1-CG 3.84Å; I80-F264 HydrophobicContact CD1-CZ 4.34Å; E260-F264 PolarHBondContact O-N 3.38Å; P261-F264 WeakPolarHBondContact CA-O 3.12Å; F264-G266 WeakPolarHBondContact CD1-O 3.11Å; F264-G266 PolarHBondContact O-N 3.28Å; F264-G266 VanDerWaalsContact O-N 3.1Å; F264-I268 HydrophobicContact CD1-CG1 4.48Å; F264-L279 HydrophobicContact CD1-CD2 4.49Å; F264-L279 HydrophobicContact CE1-CD2 3.5Å; F264-L279 HydrophobicContact CZ-CD2 3.88Å; F264-F281 HydrophobicContact CZ-CE1 4.02Å; F264-F281 AromaticContact CZ-CZ 3.95Å; F264-F281 HydrophobicContact CZ-CZ 3.95Å
265P94.1Very high95.3Very high87 Ų8775.7 Ų75.757%0.56536%0.362SS*.SBendtrans-73.2-4.3-171.728.8-38.1000115.4
266G95.6Very high95.4Very high0 Ų067.5 Ų67.50%032%0.324CS..EExtended strand (participates in β ladder)trans-112.1154.8178.600000112F264 I280F264-G266 WeakPolarHBondContact CD1-O 3.11Å; F264-G266 PolarHBondContact O-N 3.28Å; F264-G266 VanDerWaalsContact O-N 3.1Å; G266-I280 CarbonylContact C-O 3.54Å; G266-I280 WeakPolarHBondContact CA-O 3.38Å
267L97.8Very high95.5Very high0 Ų065.8 Ų65.80%032%0.319CS..EExtended strand (participates in β ladder)trans-82.1132169.9-178.3151.5000109.7L246 L249 V250 Y259 Y269 L279 I280L246-L267 HydrophobicContact CB-CD1 4.26Å; L246-L267 HydrophobicContact CD1-CB 4.07Å; L246-L267 HydrophobicContact CD2-CB 4.06Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L246-L267 HydrophobicContact CG-CB 4.46Å; L249-L267 HydrophobicContact CB-CD1 4.18Å; L249-L267 HydrophobicContact CD2-CD1 3.52Å; L249-L267 HydrophobicContact CD2-CD2 3.58Å; L249-L267 HydrophobicContact CD2-CG 4.18Å; L249-L267 HydrophobicContact CG-CD1 4.35Å; V250-L267 HydrophobicContact CB-CD1 3.96Å; Y259-L267 HydrophobicContact CD2-CB 3.97Å; Y259-L267 HydrophobicContact CG-CB 4.27Å; Y259-L267 HydrophobicContact CG-CD1 4.42Å; L267-Y269 HydrophobicContact CD2-CD2 4.38Å; L267-L279 WeakPolarHBondContact O-CA 3.28Å; L267-I280 HydrophobicContact CD2-CD1 4.06Å; L267-I280 PolarHBondContact N-O 3.31Å; L267-I280 PolarHBondContact O-N 3.2Å
268I97.9Very high95.6Very high1 Ų165.5 Ų65.51%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-91.3118.1171.7-55.6-163.1000108.8Y73 L76 S257 S258 F264 R270 V277 L278 L279Y73-I268 HydrophobicContact CD1-CD1 4.07Å; Y73-I268 HydrophobicContact CD2-CD1 4.31Å; Y73-I268 HydrophobicContact CE1-CD1 3.38Å; Y73-I268 HydrophobicContact CE1-CG1 4.27Å; Y73-I268 HydrophobicContact CE2-CD1 3.67Å; Y73-I268 HydrophobicContact CG-CD1 4.5Å; Y73-I268 VanDerWaalsContact OH-CD1 3.27Å; Y73-I268 WeakPolarHBondContact OH-CD1 3.43Å; L76-I268 HydrophobicContact CD2-CD1 3.82Å; S257-I268 CarbonylContact C-O 3.57Å; S257-I268 VanDerWaalsContact CA-O 3.3Å; S257-I268 WeakPolarHBondContact CA-O 3.32Å; S258-I268 PolarHBondContact N-O 2.91Å; S258-I268 PolarHBondContact O-N 3.3Å; F264-I268 HydrophobicContact CD1-CG1 4.48Å; I268-R270 HydrophobicContact CG2-CG 4.33Å; I268-V277 HydrophobicContact CG2-CG1 3.82Å; I268-L278 WeakPolarHBondContact CA-O 3.34Å; I268-L279 HydrophobicContact CD1-CD2 4.31Å; I268-L279 HydrophobicContact CG1-CD2 3.85Å
269Y97.9Very high95.7Very high17 Ų1763.1 Ų63.17%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-111.9121.8175.3-167.7-79.6000110L249 H253 F256 S257 L267 M271 V277 L278 I304L249-Y269 HydrophobicContact CD2-CD2 4.4Å; H253-Y269 HydrophobicContact CB-CE2 3.92Å; F256-Y269 HydrophobicContact CB-CD2 4.49Å; F256-Y269 HydrophobicContact CB-CE1 4.22Å; F256-Y269 HydrophobicContact CB-CE2 4.09Å; F256-Y269 CarbonylContact O-C 3.57Å; F256-Y269 WeakPolarHBondContact O-CA 3.46Å; S257-Y269 VanDerWaalsContact OG-CD2 3.3Å; S257-Y269 WeakPolarHBondContact OG-CD2 3.46Å; L267-Y269 HydrophobicContact CD2-CD2 4.38Å; Y269-M271 HydrophobicContact CD1-CB 4.34Å; Y269-M271 HydrophobicContact CE1-CB 4.25Å; Y269-M271 HydrophobicContact CE1-CE 4.36Å; Y269-V277 WeakPolarHBondContact O-CA 3.1Å; Y269-L278 HydrophobicContact CD1-CD1 4.03Å; Y269-L278 PolarHBondContact N-O 3.48Å; Y269-L278 PolarHBondContact O-N 2.82Å; Y269-I304 HydrophobicContact CD1-CD1 3.99Å; Y269-I304 HydrophobicContact CD2-CD1 4.09Å; Y269-I304 HydrophobicContact CE1-CD1 3.76Å; Y269-I304 HydrophobicContact CE2-CD1 3.86Å; Y269-I304 HydrophobicContact CG-CD1 4.15Å
270R97.4Very high95.7Very high83 Ų8361.3 Ų61.331%0.31329%0.293SS..EExtended strand (participates in β ladder)trans-101.594.4-179.1-61.3-179.2-174.2-83.4-0.3109.3F256 I268F256-R270 PolarHBondContact O-N 3.08Å; I268-R270 HydrophobicContact CG2-CG 4.33Å
271M95.9Very high95.9Very high20 Ų2058.3 Ų58.310%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-75.3133.1175.4-171.3172.6-72.400110.2Y269 P274 R275 I276 L278 A300 N303 I304Y269-M271 HydrophobicContact CD1-CB 4.34Å; Y269-M271 HydrophobicContact CE1-CB 4.25Å; Y269-M271 HydrophobicContact CE1-CE 4.36Å; M271-P274 CarbonylContact C-O 3.5Å; M271-P274 WeakPolarHBondContact CG-O 3.23Å; M271-R275 WeakPolarHBondContact O-CA 3.47Å; M271-I276 WeakPolarHBondContact CB-O 3.47Å; M271-I276 PolarHBondContact N-O 2.86Å; M271-I276 PolarHBondContact O-N 2.81Å; M271-L278 HydrophobicContact CB-CD1 3.9Å; M271-L278 HydrophobicContact CE-CD1 4.19Å; M271-A300 HydrophobicContact CE-CB 4.4Å; M271-A300 WeakPolarHBondContact CE-O 3.43Å; M271-A300 HydrophobicContact SD-CB 3.75Å; M271-N303 HydrophobicContact CE-CB 3.86Å; M271-N303 HydrophobicContact SD-CB 4.3Å; M271-I304 HydrophobicContact CE-CB 4.13Å; M271-I304 HydrophobicContact CE-CD1 4.5Å
272I94.3Very high96.1Very high128 Ų12857.7 Ų57.766%0.65627%0.273SS*.THydrogen-bonded Turntrans-82.2-40.8180-63.5178.5000110.9F256 P274 R275F256-I272 HydrophobicContact CD1-CD1 4.19Å; F256-I272 HydrophobicContact CD1-CG1 4.41Å; F256-I272 HydrophobicContact CE1-CD1 3.52Å; F256-I272 HydrophobicContact CE1-CG1 4.17Å; F256-I272 HydrophobicContact CZ-CD1 4.39Å; I272-P274 CarbonylContact C-O 3.57Å; I272-P274 CarbonylContact O-C 3.57Å; I272-R275 WeakPolarHBondContact O-CA 3.41Å; I272-R275 PolarHBondContact O-N 3.41Å
273K91.8Very high96.2Very high165 Ų16552.3 Ų52.372%0.71726%0.256SS*.THydrogen-bonded Turntrans-135.2113.9-177.1-169.1177.8178.7-175.60110.9
274P94.3Very high96.3Very high12 Ų1245.6 Ų45.68%0.07822%0.221CC..THydrogen-bonded Turncis-62.4159.9-13.928.9-34.9000111.2M271 I272 I276 E296 E299 A300M271-P274 CarbonylContact C-O 3.5Å; M271-P274 WeakPolarHBondContact CG-O 3.23Å; I272-P274 CarbonylContact C-O 3.57Å; I272-P274 CarbonylContact O-C 3.57Å; P274-I276 VanDerWaalsContact C-N 3.31Å; P274-I276 HydrophobicContact CB-CG1 4.11Å; P274-I276 HydrophobicContact CG-CG1 3.89Å; P274-I276 PolarHBondContact O-N 2.89Å; P274-E296 HydrophobicContact CB-CB 4.06Å; P274-E296 HydrophobicContact CB-CG 4.23Å; P274-E296 HydrophobicContact CG-CB 4.2Å; P274-E296 WeakPolarHBondContact CG-O 3.42Å; P274-E299 HydrophobicContact CG-CB 4.36Å; P274-E299 HydrophobicContact CG-CG 4.44Å; P274-A300 HydrophobicContact CG-CB 4.01Å
275R95.4Very high96.4Very high221 Ų22150.4 Ų50.483%0.83424%0.242SC*.THydrogen-bonded Turntrans-73.784-177.4-173.2178.1175.7163.30.1110.6M271 I272M271-R275 WeakPolarHBondContact O-CA 3.47Å; I272-R275 WeakPolarHBondContact O-CA 3.41Å; I272-R275 PolarHBondContact O-N 3.41Å
276I96.7Very high96.6Very high3 Ų346.3 Ų46.32%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-127.7145.6-173-63.1-61.7000110.2M271 P274 L278 L288 A291 E296 A300M271-I276 WeakPolarHBondContact CB-O 3.47Å; M271-I276 PolarHBondContact N-O 2.86Å; M271-I276 PolarHBondContact O-N 2.81Å; P274-I276 VanDerWaalsContact C-N 3.31Å; P274-I276 HydrophobicContact CB-CG1 4.11Å; P274-I276 HydrophobicContact CG-CG1 3.89Å; P274-I276 PolarHBondContact O-N 2.89Å; I276-L278 HydrophobicContact CG2-CD1 4.01Å; I276-L278 HydrophobicContact CG2-CG 4.25Å; I276-L288 HydrophobicContact CG2-CB 4.26Å; I276-L288 HydrophobicContact CG2-CD2 4.48Å; I276-A291 VanDerWaalsContact CD1-CA 3.45Å; I276-A291 HydrophobicContact CD1-CB 3.55Å; I276-A291 VanDerWaalsContact CD1-N 3.29Å; I276-E296 HydrophobicContact CD1-CB 4.28Å; I276-A300 HydrophobicContact CB-CB 4.12Å; I276-A300 HydrophobicContact CG1-CB 4.06Å; I276-A300 HydrophobicContact CG2-CB 4.05Å
277V97.8Very high96.7Very high33 Ų3347.2 Ų47.220%0.222%0.22CC..EExtended strand (participates in β ladder)trans-106127170.2-1780000108.4I268 Y269 T289I268-V277 HydrophobicContact CG2-CG1 3.82Å; Y269-V277 WeakPolarHBondContact O-CA 3.1Å; V277-T289 HydrophobicContact CB-CG2 4.21Å; V277-T289 PolarHBondContact N-O 2.79Å; V277-T289 PolarHBondContact O-N 2.94Å
278L97.9Very high96.7Very high0 Ų047.2 Ų47.20%022%0.22CC..EExtended strand (participates in β ladder)trans-109.7143.9175.6-54.886.7000109.8I268 Y269 M271 I276 I280 V286 V287 L288 I304I268-L278 WeakPolarHBondContact CA-O 3.34Å; Y269-L278 HydrophobicContact CD1-CD1 4.03Å; Y269-L278 PolarHBondContact N-O 3.48Å; Y269-L278 PolarHBondContact O-N 2.82Å; M271-L278 HydrophobicContact CB-CD1 3.9Å; M271-L278 HydrophobicContact CE-CD1 4.19Å; I276-L278 HydrophobicContact CG2-CD1 4.01Å; I276-L278 HydrophobicContact CG2-CG 4.25Å; L278-I280 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CD2-CG1 4.21Å; L278-V287 CarbonylContact C-O 3.53Å; L278-V287 VanDerWaalsContact CA-O 3.28Å; L278-V287 WeakPolarHBondContact CA-O 3.34Å; L278-L288 HydrophobicContact CD2-CD2 3.73Å; L278-L288 HydrophobicContact CD2-CG 4.02Å; L278-L288 HydrophobicContact CG-CD2 4.09Å; L278-L288 HydrophobicContact CG-CG 4.1Å; L278-I304 HydrophobicContact CD2-CB 4.01Å; L278-I304 HydrophobicContact CD2-CG1 4.14Å; L278-I304 HydrophobicContact CD2-CG2 3.65Å
279L97.8Very high96.6Very high0 Ų047.9 Ų47.90%023%0.225CC..EExtended strand (participates in β ladder)trans-117111.2172.7-66157.1000107.1L76 I80 F264 L267 I268 F281 V286 V287L76-L279 HydrophobicContact CD1-CD1 4.15Å; L76-L279 HydrophobicContact CD2-CD1 4.04Å; L76-L279 HydrophobicContact CD2-CD2 3.49Å; L76-L279 VanDerWaalsContact CD2-CD2 3.49Å; L76-L279 HydrophobicContact CD2-CG 4.09Å; L76-L279 HydrophobicContact CG-CD1 3.97Å; L76-L279 HydrophobicContact CG-CD2 4.33Å; I80-L279 HydrophobicContact CD1-CD1 3.48Å; I80-L279 VanDerWaalsContact CD1-CD1 3.48Å; I80-L279 HydrophobicContact CG1-CD1 4.03Å; F264-L279 HydrophobicContact CD1-CD2 4.49Å; F264-L279 HydrophobicContact CE1-CD2 3.5Å; F264-L279 HydrophobicContact CZ-CD2 3.88Å; L267-L279 WeakPolarHBondContact O-CA 3.28Å; I268-L279 HydrophobicContact CD1-CD2 4.31Å; I268-L279 HydrophobicContact CG1-CD2 3.85Å; L279-F281 HydrophobicContact CB-CE2 4.21Å; L279-V286 CarbonylContact O-C 3.48Å; L279-V286 VanDerWaalsContact O-CA 3.3Å; L279-V286 WeakPolarHBondContact O-CA 3.32Å; L279-V287 HydrophobicContact CB-CB 4.16Å; L279-V287 HydrophobicContact CD1-CB 4.21Å; L279-V287 HydrophobicContact CD1-CG1 4.32Å; L279-V287 PolarHBondContact N-O 3.08Å; L279-V287 PolarHBondContact O-N 2.84Å
280I97.9Very high96.4Very high0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-110122.7-173.7-57.8156.4000108I244 L246 L249 G266 L267 L278 V286 I304 L308I244-I280 HydrophobicContact CD1-CG2 3.66Å; L246-I280 HydrophobicContact CD2-CB 4.39Å; L246-I280 HydrophobicContact CD2-CG2 3.81Å; L249-I280 HydrophobicContact CD2-CD1 4.05Å; G266-I280 CarbonylContact C-O 3.54Å; G266-I280 WeakPolarHBondContact CA-O 3.38Å; L267-I280 HydrophobicContact CD2-CD1 4.06Å; L267-I280 PolarHBondContact N-O 3.31Å; L267-I280 PolarHBondContact O-N 3.2Å; L278-I280 HydrophobicContact CB-CG1 4.41Å; I280-V286 HydrophobicContact CG1-CG1 4.18Å; I280-V286 HydrophobicContact CG1-CG2 4.37Å; I280-V286 HydrophobicContact CG2-CG2 4.39Å; I280-I304 HydrophobicContact CD1-CG1 4.4Å; I280-L308 HydrophobicContact CD1-CD2 3.86Å; I280-L308 HydrophobicContact CG1-CD2 4.46Å; I280-L308 HydrophobicContact CG2-CD1 4.48Å; I280-L308 HydrophobicContact CG2-CD2 4.09Å
281F97.9Very high96.4Very high48 Ų4844.9 Ų44.921%0.21123%0.225CC..EExtended strand (participates in β ladder)trans-100.2152.4179.5-63.3-86.6000110.8F264 L279 S283 G284 K285 V287F264-F281 HydrophobicContact CZ-CE1 4.02Å; F264-F281 AromaticContact CZ-CZ 3.95Å; F264-F281 HydrophobicContact CZ-CZ 3.95Å; L279-F281 HydrophobicContact CB-CE2 4.21Å; F281-S283 PolarHBondContact O-N 2.83Å; F281-G284 PolarHBondContact O-N 3.46Å; F281-K285 HydrophobicContact CB-CB 4.47Å; F281-K285 HydrophobicContact CD2-CB 4.25Å; F281-K285 WeakPolarHBondContact CD2-O 3.27Å; F281-K285 PolarHBondContact N-O 3.17Å; F281-V287 HydrophobicContact CE2-CG2 4.3Å
282V96.7Very high96.3Very high50 Ų5049.3 Ų49.330%0.30324%0.243SC..THydrogen-bonded Turntrans-54.1-29.9177.3-179.30000112.1P243 I244 L246 G284P243-V282 CarbonylContact C-O 3.58Å; P243-V282 VanDerWaalsContact CA-O 3.23Å; P243-V282 WeakPolarHBondContact CA-O 3.28Å; I244-V282 PolarHBondContact N-O 2.92Å; L246-V282 HydrophobicContact CD1-CG2 3.51Å; L246-V282 HydrophobicContact CG-CG2 3.98Å; V282-G284 PolarHBondContact O-N 3.49Å
283S96.6Very high96.4Very high68 Ų6847.3 Ų47.348%0.47624%0.237SC..THydrogen-bonded Turntrans-69.2-13.8177.757.50000115.1F281F281-S283 PolarHBondContact O-N 2.83Å
284G95.8Very high96.6Very high0 Ų043.4 Ų43.40%022%0.218CC..SBendtrans92.8-3.1-172.400000114.5V240 F242 F281 V282V240-G284 WeakPolarHBondContact CG2-O 3.45Å; V240-G284 PolarHBondContact N-O 2.7Å; F242-G284 WeakPolarHBondContact O-CA 3.14Å; F281-G284 PolarHBondContact O-N 3.46Å; V282-G284 PolarHBondContact O-N 3.49Å
285K97.6Very high96.6Very high123 Ų12345.7 Ų45.754%0.53524%0.237SC..EExtended strand (participates in β ladder)trans-68.7137.7169-65-177.2-178-1800109.9D239 F281D239-K285 HydrophobicContact CB-CG 4.44Å; F281-K285 HydrophobicContact CB-CB 4.47Å; F281-K285 HydrophobicContact CD2-CB 4.25Å; F281-K285 WeakPolarHBondContact CD2-O 3.27Å; F281-K285 PolarHBondContact N-O 3.17Å
286V97.8Very high96.7Very high1 Ų138 Ų381%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-131.2132.5178.6-175.10000109.5S237 C238 V240 L278 L279 I280 L288 L308S237-V286 CarbonylContact C-O 3.58Å; S237-V286 VanDerWaalsContact CA-O 3.25Å; S237-V286 WeakPolarHBondContact CA-O 3.5Å; C238-V286 PolarHBondContact N-O 3.06Å; C238-V286 PolarHBondContact O-N 3.45Å; V240-V286 HydrophobicContact CG1-CG2 4.27Å; L278-V286 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CD2-CG1 4.21Å; L279-V286 CarbonylContact O-C 3.48Å; L279-V286 VanDerWaalsContact O-CA 3.3Å; L279-V286 WeakPolarHBondContact O-CA 3.32Å; I280-V286 HydrophobicContact CG1-CG1 4.18Å; I280-V286 HydrophobicContact CG1-CG2 4.37Å; I280-V286 HydrophobicContact CG2-CG2 4.39Å; V286-L288 HydrophobicContact CG1-CD1 4.04Å; V286-L288 HydrophobicContact CG1-CG 4.36Å; V286-L308 HydrophobicContact CG2-CD1 3.89Å
287V98Very high96.7Very high19 Ų1937.8 Ų37.812%0.11521%0.21CC..EExtended strand (participates in β ladder)trans-114133.1171.5-1800000108.7V235 G236 L278 L279 F281V235-V287 HydrophobicContact CG1-CG1 3.85Å; G236-V287 CarbonylContact O-C 3.6Å; G236-V287 WeakPolarHBondContact O-CA 3.45Å; L278-V287 CarbonylContact C-O 3.53Å; L278-V287 VanDerWaalsContact CA-O 3.28Å; L278-V287 WeakPolarHBondContact CA-O 3.34Å; L279-V287 HydrophobicContact CB-CB 4.16Å; L279-V287 HydrophobicContact CD1-CB 4.21Å; L279-V287 HydrophobicContact CD1-CG1 4.32Å; L279-V287 PolarHBondContact N-O 3.08Å; L279-V287 PolarHBondContact O-N 2.84Å; F281-V287 HydrophobicContact CE2-CG2 4.3Å
288L97.6Very high96.6Very high0 Ų039.7 Ų39.70%021%0.214CC..EExtended strand (participates in β ladder)trans-117131.8-179.9-58.793.9000108.9V235 G236 I276 L278 V286 I297 A300 F301V235-L288 CarbonylContact C-O 3.49Å; V235-L288 VanDerWaalsContact CA-O 3.31Å; V235-L288 WeakPolarHBondContact CA-O 3.32Å; G236-L288 PolarHBondContact N-O 2.92Å; G236-L288 PolarHBondContact O-N 3.24Å; I276-L288 HydrophobicContact CG2-CB 4.26Å; I276-L288 HydrophobicContact CG2-CD2 4.48Å; L278-L288 HydrophobicContact CD2-CD2 3.73Å; L278-L288 HydrophobicContact CD2-CG 4.02Å; L278-L288 HydrophobicContact CG-CD2 4.09Å; L278-L288 HydrophobicContact CG-CG 4.1Å; V286-L288 HydrophobicContact CG1-CD1 4.04Å; V286-L288 HydrophobicContact CG1-CG 4.36Å; L288-I297 HydrophobicContact CB-CD1 3.74Å; L288-I297 HydrophobicContact CB-CG2 4.34Å; L288-I297 HydrophobicContact CD2-CG2 4.33Å; L288-A300 HydrophobicContact CD2-CB 3.89Å; L288-F301 HydrophobicContact CD2-CB 4.29Å
289T96.4Very high96.5Very high15 Ų1543.6 Ų43.69%0.09223%0.232CC..EExtended strand (participates in β ladder)trans-144.3160.4178.3-173.80000111.5L76 N233 V277L76-T289 HydrophobicContact CD1-CG2 3.6Å; N233-T289 PolarHBondContact ND2-OG1 3.29Å; V277-T289 HydrophobicContact CB-CG2 4.21Å; V277-T289 PolarHBondContact N-O 2.79Å; V277-T289 PolarHBondContact O-N 2.94Å
290G93.8Very high96.4Very high37 Ų3743.6 Ų43.638%0.38123%0.232SC..EExtended strand (participates in β ladder)trans103-4.6-179.100000113.5N233N233-G290 WeakPolarHBondContact OD1-CA 3.47Å; N233-G290 PolarHBondContact OD1-N 3.49Å
291A96.1Very high96.4Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-73.3144.9177.600000111.3N233 M234 I276 E296 I297N233-A291 CarbonylContact C-O 3.47Å; N233-A291 VanDerWaalsContact CA-O 3.3Å; N233-A291 WeakPolarHBondContact CA-O 3.3Å; M234-A291 HydrophobicContact CB-CB 4.23Å; M234-A291 PolarHBondContact N-O 3Å; I276-A291 VanDerWaalsContact CD1-CA 3.45Å; I276-A291 HydrophobicContact CD1-CB 3.55Å; I276-A291 VanDerWaalsContact CD1-N 3.29Å; A291-E296 WeakPolarHBondContact CA-OE2 3.24Å; A291-E296 HydrophobicContact CB-CB 4.06Å; A291-I297 HydrophobicContact CB-CD1 3.41Å; A291-I297 VanDerWaalsContact CB-CD1 3.41Å; A291-I297 HydrophobicContact CB-CG1 3.55Å
292K95.2Very high96.2Very high113 Ų11347.2 Ų47.249%0.49125%0.25SC..SBendtrans-103.9-21.5168.2-69175.8-178.7166.80111.9E296K292-E296 PolarHBondContact N-OE2 3.27Å
293V95.8Very high96.1Very high85 Ų8548.4 Ų48.452%0.51525%0.254SS..SBendtrans-128.7140.7179.8-173.10000109M234 A295 E296M234-V293 VanDerWaalsContact SD-C 3.58Å; V293-A295 HydrophobicContact CG1-CB 4.26Å; V293-A295 PolarHBondContact O-N 2.89Å; V293-E296 HydrophobicContact CB-CG 4.41Å; V293-E296 PolarHBondContact N-OE2 3.33Å; V293-E296 VanDerWaalsContact N-OE2 3.1Å; V293-E296 WeakPolarHBondContact O-CB 3.45Å; V293-E296 PolarHBondContact O-N 3.19Å
294R94.8Very high96.1Very high84 Ų8445.1 Ų45.132%0.31723%0.231SC..Hα-helixtrans-53-38.4179.4-168.9-175-68.6-158.3-2.3113.4L141 E203 M234 E296 I297 Y298L141-R294 HydrophobicContact CD1-CG 4.15Å; E203-R294 IonicContact OE1-CZ 3.96Å; E203-R294 IonicContact OE1-NE 3.56Å; E203-R294 PolarHBondContact OE1-NE 3.3Å; E203-R294 VanDerWaalsContact OE1-NE 3.17Å; E203-R294 IonicContact OE1-NH2 3.63Å; E203-R294 IonicContact OE2-CZ 3.81Å; E203-R294 IonicContact OE2-NE 3.17Å; E203-R294 IonicContact OE2-NH2 2.69Å; E203-R294 PolarHBondContact OE2-NH2 3.14Å; M234-R294 HydrophobicContact CE-CB 4.01Å; M234-R294 PolarHBondContact SD-N 2.87Å; M234-R294 VanDerWaalsContact SD-N 3.42Å; R294-E296 VanDerWaalsContact C-N 3.25Å; R294-E296 PolarHBondContact O-N 3.2Å; R294-I297 WeakPolarHBondContact O-CB 3.4Å; R294-I297 PolarHBondContact O-N 3.45Å; R294-I297 VanDerWaalsContact O-N 3.09Å; R294-Y298 WeakPolarHBondContact CD-OH 3.45Å; R294-Y298 HydrophobicContact CG-CD2 4.33Å; R294-Y298 HydrophobicContact CG-CE1 4.47Å; R294-Y298 HydrophobicContact CG-CE2 3.59Å; R294-Y298 PolarHBondContact O-N 2.92Å
295A95.9Very high96.1Very high59 Ų5946.3 Ų46.349%0.48824%0.236SC..Hα-helixtrans-57.9-35.3179.400000112.9V293 I297 Y298 E299V293-A295 HydrophobicContact CG1-CB 4.26Å; V293-A295 PolarHBondContact O-N 2.89Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 2.91Å; A295-Y298 PolarHBondContact O-N 3.31Å; A295-Y298 VanDerWaalsContact O-N 3.13Å; A295-E299 WeakPolarHBondContact O-CB 3.49Å; A295-E299 PolarHBondContact O-N 3.36Å
296E96.6Very high96Very high59 Ų5943.6 Ų43.628%0.27623%0.231SC..Hα-helixtrans-65.1-31.2178.7-61.2173.4136.300111.8P274 I276 A291 K292 V293 R294 A300P274-E296 HydrophobicContact CB-CB 4.06Å; P274-E296 HydrophobicContact CB-CG 4.23Å; P274-E296 HydrophobicContact CG-CB 4.2Å; P274-E296 WeakPolarHBondContact CG-O 3.42Å; I276-E296 HydrophobicContact CD1-CB 4.28Å; A291-E296 WeakPolarHBondContact CA-OE2 3.24Å; A291-E296 HydrophobicContact CB-CB 4.06Å; K292-E296 PolarHBondContact N-OE2 3.27Å; V293-E296 HydrophobicContact CB-CG 4.41Å; V293-E296 PolarHBondContact N-OE2 3.33Å; V293-E296 VanDerWaalsContact N-OE2 3.1Å; V293-E296 WeakPolarHBondContact O-CB 3.45Å; V293-E296 PolarHBondContact O-N 3.19Å; R294-E296 VanDerWaalsContact C-N 3.25Å; R294-E296 PolarHBondContact O-N 3.2Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.86Å
297I96.6Very high95.9Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-68.8-41.2174.9-62.1-67.9000110.3P139 L288 A291 R294 A295 F301P139-I297 HydrophobicContact CB-CG2 3.81Å; P139-I297 HydrophobicContact CG-CG2 4.39Å; L288-I297 HydrophobicContact CB-CD1 3.74Å; L288-I297 HydrophobicContact CB-CG2 4.34Å; L288-I297 HydrophobicContact CD2-CG2 4.33Å; A291-I297 HydrophobicContact CB-CD1 3.41Å; A291-I297 VanDerWaalsContact CB-CD1 3.41Å; A291-I297 HydrophobicContact CB-CG1 3.55Å; R294-I297 WeakPolarHBondContact O-CB 3.4Å; R294-I297 PolarHBondContact O-N 3.45Å; R294-I297 VanDerWaalsContact O-N 3.09Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 2.91Å; I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.89Å
298Y95.7Very high95.8Very high73 Ų7344.9 Ų44.929%0.28624%0.237SC..Hα-helixtrans-69.4-47.9179.6-59.9-30.4000111.5V138 P139 R294 A295 A300 F301 E302V138-Y298 HydrophobicContact CG1-CE1 4.03Å; P139-Y298 HydrophobicContact CB-CD1 4.27Å; P139-Y298 HydrophobicContact CB-CE1 4.25Å; P139-Y298 HydrophobicContact CG-CD1 4.15Å; P139-Y298 WeakPolarHBondContact O-CE1 3.32Å; R294-Y298 WeakPolarHBondContact CD-OH 3.45Å; R294-Y298 HydrophobicContact CG-CD2 4.33Å; R294-Y298 HydrophobicContact CG-CE1 4.47Å; R294-Y298 HydrophobicContact CG-CE2 3.59Å; R294-Y298 PolarHBondContact O-N 2.92Å; A295-Y298 PolarHBondContact O-N 3.31Å; A295-Y298 VanDerWaalsContact O-N 3.13Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-A300 PolarHBondContact O-N 3.46Å; Y298-F301 PolarHBondContact O-N 2.9Å; Y298-F301 VanDerWaalsContact O-N 3.11Å; Y298-E302 WeakPolarHBondContact O-CG 3.48Å; Y298-E302 PolarHBondContact O-N 2.99Å
299E96Very high95.7Very high82 Ų8249 Ų4938%0.38326%0.255SS..Hα-helixtrans-59.2-44.2175.4-173.1-174174.900111.5P274 A295 F301 E302 N303P274-E299 HydrophobicContact CG-CB 4.36Å; P274-E299 HydrophobicContact CG-CG 4.44Å; A295-E299 WeakPolarHBondContact O-CB 3.49Å; A295-E299 PolarHBondContact O-N 3.36Å; E299-F301 VanDerWaalsContact C-N 3.29Å; E299-F301 PolarHBondContact O-N 2.85Å; E299-E302 PolarHBondContact O-N 3.45Å; E299-N303 WeakPolarHBondContact O-CB 3.5Å; E299-N303 VanDerWaalsContact O-CG 3.27Å; E299-N303 PolarHBondContact O-N 3.39Å; E299-N303 PolarHBondContact O-ND2 3.49Å
300A96.5Very high95.6Very high0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-62-37.8176.200000112.5M271 P274 I276 L288 E296 Y298 I304M271-A300 HydrophobicContact CE-CB 4.4Å; M271-A300 WeakPolarHBondContact CE-O 3.43Å; M271-A300 HydrophobicContact SD-CB 3.75Å; P274-A300 HydrophobicContact CG-CB 4.01Å; I276-A300 HydrophobicContact CB-CB 4.12Å; I276-A300 HydrophobicContact CG1-CB 4.06Å; I276-A300 HydrophobicContact CG2-CB 4.05Å; L288-A300 HydrophobicContact CD2-CB 3.89Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.86Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-A300 PolarHBondContact O-N 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A300-I304 VanDerWaalsContact O-N 3.15Å
301F96.3Very high95.7Very high4 Ų451.9 Ų51.92%0.01828%0.275CS..Hα-helixtrans-70.9-42.9177.7-177.1-105.8000112.2I137 P139 C238 V240 L288 I297 Y298 E299 N303 I304 Y305I137-F301 HydrophobicContact CB-CE1 4.07Å; I137-F301 HydrophobicContact CB-CZ 4.05Å; I137-F301 HydrophobicContact CG2-CE1 4.1Å; I137-F301 HydrophobicContact CG2-CZ 3.79Å; I137-F301 WeakPolarHBondContact O-CE1 3.46Å; P139-F301 HydrophobicContact CG-CB 3.55Å; P139-F301 HydrophobicContact CG-CD1 3.73Å; P139-F301 HydrophobicContact CG-CD2 4.12Å; P139-F301 HydrophobicContact CG-CE1 4.48Å; P139-F301 HydrophobicContact CG-CG 3.5Å; C238-F301 HydrophobicContact CB-CE2 4.21Å; C238-F301 WeakPolarHBondContact SG-CD2 3.39Å; C238-F301 WeakPolarHBondContact SG-CE2 3.44Å; V240-F301 HydrophobicContact CG1-CE2 4.03Å; V240-F301 HydrophobicContact CG1-CZ 4.24Å; L288-F301 HydrophobicContact CD2-CB 4.29Å; I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.89Å; Y298-F301 PolarHBondContact O-N 2.9Å; Y298-F301 VanDerWaalsContact O-N 3.11Å; E299-F301 VanDerWaalsContact C-N 3.29Å; E299-F301 PolarHBondContact O-N 2.85Å; F301-N303 VanDerWaalsContact C-N 3.26Å; F301-N303 PolarHBondContact O-N 2.82Å; F301-I304 HydrophobicContact CD2-CG2 4.36Å; F301-I304 PolarHBondContact O-N 3.27Å; F301-Y305 HydrophobicContact CE1-CD2 4.13Å; F301-Y305 HydrophobicContact CE2-CD2 4.25Å; F301-Y305 AromaticContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CE2 4.35Å; F301-Y305 HydrophobicContact CZ-CG 4.35Å; F301-Y305 VanDerWaalsContact O-CB 3.28Å; F301-Y305 WeakPolarHBondContact O-CB 3.17Å; F301-Y305 PolarHBondContact O-N 3.23Å
302E95Very high95.7Very high120 Ų12059.1 Ų59.156%0.56130%0.302SS*.Hα-helixtrans-60-37.7176.1-74.5-178.6173.500112Y298 E299 P306Y298-E302 WeakPolarHBondContact O-CG 3.48Å; Y298-E302 PolarHBondContact O-N 2.99Å; E299-E302 PolarHBondContact O-N 3.45Å; E302-P306 WeakPolarHBondContact O-CD 3.3Å
303N94.9Very high95.5Very high74 Ų7456.8 Ų56.840%0.39629%0.292SS..Hα-helixtrans-69.7-42.1176.8-72.5-23.9000112.9M271 E299 F301M271-N303 HydrophobicContact CE-CB 3.86Å; M271-N303 HydrophobicContact SD-CB 4.3Å; E299-N303 WeakPolarHBondContact O-CB 3.5Å; E299-N303 VanDerWaalsContact O-CG 3.27Å; E299-N303 PolarHBondContact O-N 3.39Å; E299-N303 PolarHBondContact O-ND2 3.49Å; F301-N303 VanDerWaalsContact C-N 3.26Å; F301-N303 PolarHBondContact O-N 2.82Å
304I95.7Very high94.8Very high0 Ų058.8 Ų58.80%031%0.305CS..Hα-helixtrans-82-31.1-175.4-157.665.7000112.7Y269 M271 L278 I280 A300 F301 I307 L308Y269-I304 HydrophobicContact CD1-CD1 3.99Å; Y269-I304 HydrophobicContact CD2-CD1 4.09Å; Y269-I304 HydrophobicContact CE1-CD1 3.76Å; Y269-I304 HydrophobicContact CE2-CD1 3.86Å; Y269-I304 HydrophobicContact CG-CD1 4.15Å; M271-I304 HydrophobicContact CE-CB 4.13Å; M271-I304 HydrophobicContact CE-CD1 4.5Å; L278-I304 HydrophobicContact CD2-CB 4.01Å; L278-I304 HydrophobicContact CD2-CG1 4.14Å; L278-I304 HydrophobicContact CD2-CG2 3.65Å; I280-I304 HydrophobicContact CD1-CG1 4.4Å; A300-I304 PolarHBondContact O-N 3.38Å; A300-I304 VanDerWaalsContact O-N 3.15Å; F301-I304 HydrophobicContact CD2-CG2 4.36Å; F301-I304 PolarHBondContact O-N 3.27Å; I304-I307 HydrophobicContact CD1-CD1 4.22Å; I304-I307 WeakPolarHBondContact O-CB 3.42Å; I304-I307 PolarHBondContact O-N 2.69Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I304-L308 HydrophobicContact CG1-CD1 4.32Å; I304-L308 HydrophobicContact CG1-CD2 4.11Å; I304-L308 HydrophobicContact CG1-CG 4.04Å; I304-L308 HydrophobicContact CG2-CD1 4.2Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.49Å
305Y96.3Very high93.1Very high24 Ų2463.9 Ų63.99%0.09435%0.345CS..Hα-helixtrans-54-49.6-174.2-178.2-94.3000115.1S135 I137 V240 F242 F301 I307 L308 K309S135-Y305 VanDerWaalsContact CB-CE1 3.44Å; S135-Y305 WeakPolarHBondContact OG-CD1 3.32Å; S135-Y305 WeakPolarHBondContact OG-CD2 3.44Å; S135-Y305 WeakPolarHBondContact OG-CE1 3.5Å; I137-Y305 HydrophobicContact CD1-CE2 3.96Å; V240-Y305 HydrophobicContact CB-CE2 4.23Å; V240-Y305 HydrophobicContact CG1-CD2 4.06Å; V240-Y305 HydrophobicContact CG1-CE2 4.21Å; F242-Y305 HydrophobicContact CE1-CE2 4.28Å; F301-Y305 HydrophobicContact CE1-CD2 4.13Å; F301-Y305 HydrophobicContact CE2-CD2 4.25Å; F301-Y305 AromaticContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CE2 4.35Å; F301-Y305 HydrophobicContact CZ-CG 4.35Å; F301-Y305 VanDerWaalsContact O-CB 3.28Å; F301-Y305 WeakPolarHBondContact O-CB 3.17Å; F301-Y305 PolarHBondContact O-N 3.23Å; Y305-I307 PolarHBondContact O-N 3.05Å; Y305-L308 PolarHBondContact O-N 3.32Å; Y305-L308 VanDerWaalsContact O-N 3.14Å; Y305-K309 HydrophobicContact CE1-CD 4.21Å; Y305-K309 PolarHBondContact O-N 3.22Å
306P95.7Very high92.9Very high67 Ų6764.1 Ų64.144%0.43534%0.338SS..Hα-helixtrans-62-33.8179.323.9-34000111.9E302 K309 G310E302-P306 WeakPolarHBondContact O-CD 3.3Å; P306-K309 PolarHBondContact O-N 3.07Å; P306-G310 PolarHBondContact O-N 3.37Å
307I95.5Very high92.7Very high47 Ų4764.4 Ų64.424%0.24134%0.341CS..Hα-helixtrans-63.3-52174-59.9171.3000109.4L249 H253 I304 Y305 K309 G310 F311L249-I307 HydrophobicContact CD1-CG2 3.75Å; H253-I307 WeakPolarHBondContact CE1-CG2 3.48Å; I304-I307 HydrophobicContact CD1-CD1 4.22Å; I304-I307 WeakPolarHBondContact O-CB 3.42Å; I304-I307 PolarHBondContact O-N 2.69Å; I304-I307 VanDerWaalsContact O-N 3.1Å; Y305-I307 PolarHBondContact O-N 3.05Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.32Å; I307-G310 PolarHBondContact O-N 3.47Å; I307-F311 HydrophobicContact CG2-CD2 4.13Å; I307-F311 HydrophobicContact CG2-CE2 3.96Å; I307-F311 VanDerWaalsContact O-CD2 3.24Å; I307-F311 WeakPolarHBondContact O-CD2 3.27Å; I307-F311 PolarHBondContact O-N 2.69Å
308L96Very high92.5Very high0 Ų067.9 Ų67.90%036%0.36CS..Hα-helixtrans-59.3-39.3-180-59.5-175.2000112.2V240 F242 I244 L249 I280 V286 I304 Y305 G310 F311 R312V240-L308 HydrophobicContact CG1-CD1 4.11Å; F242-L308 WeakPolarHBondContact CE2-O 3.45Å; I244-L308 HydrophobicContact CD1-CB 4.15Å; I244-L308 HydrophobicContact CD1-CD1 4.06Å; I244-L308 HydrophobicContact CD1-CD2 4.2Å; I244-L308 HydrophobicContact CD1-CG 4.34Å; L249-L308 HydrophobicContact CD1-CD2 3.99Å; I280-L308 HydrophobicContact CD1-CD2 3.86Å; I280-L308 HydrophobicContact CG1-CD2 4.46Å; I280-L308 HydrophobicContact CG2-CD1 4.48Å; I280-L308 HydrophobicContact CG2-CD2 4.09Å; V286-L308 HydrophobicContact CG2-CD1 3.89Å; I304-L308 HydrophobicContact CG1-CD1 4.32Å; I304-L308 HydrophobicContact CG1-CD2 4.11Å; I304-L308 HydrophobicContact CG1-CG 4.04Å; I304-L308 HydrophobicContact CG2-CD1 4.2Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.49Å; Y305-L308 PolarHBondContact O-N 3.32Å; Y305-L308 VanDerWaalsContact O-N 3.14Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.16Å; L308-F311 CarbonylContact O-C 3.54Å; L308-F311 PolarHBondContact O-N 3.3Å; L308-F311 VanDerWaalsContact O-N 3.08Å; L308-R312 PolarHBondContact O-N 3.2Å
309K94.9Very high92.3Very high87 Ų8767.6 Ų67.638%0.37837%0.365SS..Hα-helixtrans-60.1-38.4176.4-169.7176.5179.7179.30111.9E133 F242 Y305 P306 I307 F311 R312E133-K309 IonicContact OE2-NZ 2.74Å; E133-K309 PolarHBondContact OE2-NZ 3.28Å; F242-K309 HydrophobicContact CZ-CB 4.16Å; Y305-K309 HydrophobicContact CE1-CD 4.21Å; Y305-K309 PolarHBondContact O-N 3.22Å; P306-K309 PolarHBondContact O-N 3.07Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.32Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.99Å; K309-R312 VanDerWaalsContact O-CB 3.28Å; K309-R312 WeakPolarHBondContact O-CB 3.08Å; K309-R312 PolarHBondContact O-N 3.12Å
310G94.6Very high92.1Very high68 Ų6866.8 Ų66.870%0.70136%0.363SS*.Hα-helixtrans-65.4-25174.600000114.5P306 I307 L308P306-G310 PolarHBondContact O-N 3.37Å; I307-G310 PolarHBondContact O-N 3.47Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.16Å
311F95.4Very high91.8Very high43 Ų4371.2 Ų71.219%0.18939%0.388CS..THydrogen-bonded Turntrans-101.518176.2-66.7-81.9000113.4I244 R245 G248 L249 T252 I307 L308 K309 K313I244-F311 HydrophobicContact CG2-CB 4.09Å; R245-F311 PolarHBondContact N-O 2.87Å; G248-F311 VanDerWaalsContact C-CE1 3.4Å; G248-F311 WeakPolarHBondContact O-CE1 3.31Å; L249-F311 HydrophobicContact CB-CD2 4.46Å; L249-F311 HydrophobicContact CB-CG 4.42Å; L249-F311 HydrophobicContact CD1-CD2 3.46Å; L249-F311 VanDerWaalsContact CD1-CD2 3.46Å; L249-F311 HydrophobicContact CD1-CE2 3.83Å; L249-F311 HydrophobicContact CD1-CG 4.11Å; L249-F311 HydrophobicContact CG-CD2 4.5Å; T252-F311 HydrophobicContact CG2-CZ 4.26Å; I307-F311 HydrophobicContact CG2-CD2 4.13Å; I307-F311 HydrophobicContact CG2-CE2 3.96Å; I307-F311 VanDerWaalsContact O-CD2 3.24Å; I307-F311 WeakPolarHBondContact O-CD2 3.27Å; I307-F311 PolarHBondContact O-N 2.69Å; L308-F311 CarbonylContact O-C 3.54Å; L308-F311 PolarHBondContact O-N 3.3Å; L308-F311 VanDerWaalsContact O-N 3.08Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.99Å; F311-K313 PolarHBondContact O-N 2.78Å
312R95.5Very high91.5Very high152 Ų15276 Ų7657%0.57441%0.414SS*.BIsolated β-bridgetrans-58128.9172.9177.9174.2177.8-172.80.9109.8F242 P243 L308 K309 T314F242-R312 HydrophobicContact CB-CG 3.98Å; F242-R312 HydrophobicContact CD2-CB 3.76Å; F242-R312 HydrophobicContact CD2-CG 3.72Å; F242-R312 HydrophobicContact CE2-CB 4.05Å; F242-R312 HydrophobicContact CE2-CG 4.47Å; F242-R312 HydrophobicContact CG-CB 4.43Å; F242-R312 HydrophobicContact CG-CG 3.97Å; P243-R312 WeakPolarHBondContact O-CA 3.3Å; L308-R312 PolarHBondContact O-N 3.2Å; K309-R312 VanDerWaalsContact O-CB 3.28Å; K309-R312 WeakPolarHBondContact O-CB 3.08Å; K309-R312 PolarHBondContact O-N 3.12Å; R312-T314 PolarHBondContact O-N 3.14Å
313K90.9Very high91.2Very high64 Ų6472.6 Ų72.628%0.27840%0.403SS..  trans-71.7115.4170.5-67.8-176.7-179.8-177.40108.3P243 I244 R245 F311 T315P243-K313 HydrophobicContact CB-CB 4.4Å; P243-K313 HydrophobicContact CG-CB 4.16Å; P243-K313 PolarHBondContact O-N 2.79Å; I244-K313 WeakPolarHBondContact O-CE 3.33Å; R245-K313 VanDerWaalsContact CA-CE 3.48Å; R245-K313 HydrophobicContact CB-CG 3.9Å; F311-K313 PolarHBondContact O-N 2.78Å; K313-T315 PolarHBondContact O-N 3.3Å
314T81.2Confident90.9Very high128 Ų12872.5 Ų72.579%0.78540%0.403SS*.  trans-65.6118.1162.8-34.60000106.6R312R312-T314 PolarHBondContact O-N 3.14Å
315T59.2Low90.5Very high190 Ų19079.1 Ų79.1100%1.16644%0.44SS*.  trans-79.70171.9-490000108.5K313K313-T315 PolarHBondContact O-N 3.3Å

Retrieved 315 of 315 residues in 239.8 ms (Link to these results)