A0A087XA49_POEFO Loading...

Nucleosome assembly protein 1-like 1

AlphaFold DB , UniProt , Accession A0A087XA49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low36.2Very low246 Ų246160.8 Ų160.8100%1.21286%0.856SS**  096.40-143.3155-167.200105.9
2A37.6Very low35.9Very low89 Ų89163 Ų16374%0.73686%0.861SS**  cis-132.513717.600000108.3
3D34.8Very low35.8Very low143 Ų143162.7 Ų162.777%0.76586%0.86SS**  60.497.874.6-65-39.8000114.5
4I39.5Very low36.2Very low177 Ų177159.5 Ų159.591%0.90885%0.854SS**  trans-144.1112140.9-61.2-173000108.4
5D38Very low36.4Very low139 Ų139154.5 Ų154.574%0.74384%0.843SS**  trans-84.2146.6168.5-111.2-49.7000111.5
6N33.6Very low36.4Very low145 Ų145153.7 Ų153.778%0.77584%0.838SS**  trans159.5104.6137.6-112.917.3000107.6
7K36Very low36.3Very low175 Ų175153.3 Ų153.376%0.76183%0.831SS**  55.1102.962.4-128.2-175.6-168.9179.70113
8D35.3Very low36.4Very low164 Ų164154.6 Ų154.688%0.87783%0.831SS**  trans-159.497.5139.3-90.4-28.1000109.1
9Q35.5Very low36.5Very low197 Ų197154.7 Ų154.792%0.92183%0.831SS**  trans-99.8113.2161.9-118.9174.3-0.600104.6
10A35.4Very low36.7Very low95 Ų95154.5 Ų154.579%0.78584%0.835SS**  trans-108.6105.817200000108.4
11E35.6Very low36.6Very low199 Ų199155.6 Ų155.693%0.9384%0.835SS**  trans-61.1130.1160.5-73.6174.7139.600108.7
12M33.3Very low36.4Very low187 Ų187151.8 Ų151.892%0.92182%0.82SS**  trans-100.3113.2166.9-77.3-17778.100108.7
13D34.4Very low36.3Very low159 Ų159153.6 Ų153.685%0.8582%0.821SS**  trans-73.7139.6170.4-119.1-25.3000110.1A15D13-A15 PolarHBondContact O-N 3.48Å
14P41.2Very low36.4Very low118 Ų118155.6 Ų155.677%0.76683%0.826SS**SBendtrans-98.880.1-173.936.9-29.8000111.3
15A39.6Very low36.3Very low85 Ų85155.9 Ų155.970%0.70282%0.823SS**  trans-173.399.2162.100000111.3D13D13-A15 PolarHBondContact O-N 3.48Å
16D35.4Very low36Very low141 Ų141157.8 Ų157.875%0.75483%0.828SS**  trans17498.9140-92.8-19000107.7
17M35.8Very low36.5Very low147 Ų147158 Ų15872%0.72482%0.824SS**  80.6102.7107.9-89.2-165.1-83.600112.5
18E37.9Very low36.7Very low176 Ų176156.1 Ų156.182%0.82283%0.828SS**  80.7135.387.3-83.6-172.6168.500112.1
19D38.9Very low37.3Very low157 Ų157151.9 Ų151.984%0.8482%0.822SS**  trans76.293-180-72.9-18.8000118.9
20V39.3Very low37.9Very low151 Ų151148.6 Ų148.692%0.91581%0.807SS**  trans-134.5125.2137.8-172.60000108.9
21E34.3Very low38.6Very low178 Ų178149.5 Ų149.583%0.83280%0.799SS**  trans-57.8146-165.9-63.3170.3150.600115.7V23E21-V23 PolarHBondContact O-N 3.34Å
22D33.4Very low39.2Very low166 Ų166148.3 Ų148.389%0.88879%0.793SS**  trans-52120.5164.7-87-44.8000110.9
23V34.7Very low40.1Very low127 Ų127144.2 Ų144.277%0.7778%0.775SS**  trans-96.1104.6162.8-178.90000107.1E21 E25E21-V23 PolarHBondContact O-N 3.34Å; V23-E25 PolarHBondContact O-N 2.88Å; V23-E25 VanDerWaalsContact O-N 3.14Å
24E38.1Very low40.9Very low184 Ų184139.4 Ų139.486%0.8675%0.754SS**  trans-62.8105.7168-67-176.6155.800109.3
25E36.5Very low41.4Very low183 Ų183139.4 Ų139.486%0.85574%0.742SS**  trans-88.5113.7160.2-79.1-168164.200108.9V23 E27V23-E25 PolarHBondContact O-N 2.88Å; V23-E25 VanDerWaalsContact O-N 3.14Å; E25-E27 PolarHBondContact O-N 2.86Å
26E31.2Very low42Very low179 Ų179137.8 Ų137.884%0.83673%0.728SS**  trans-60.2119.5178-68.5-168.4152.900112.3T28E26-T28 PolarHBondContact O-N 2.79Å
27E44.2Very low43Very low150 Ų150139.2 Ų139.270%0.70172%0.723SS**  trans-59.8112.7164.2-86.6-170.8157.700110.9E25E25-E27 PolarHBondContact O-N 2.86Å
28T41.6Very low44.1Very low136 Ų136138.6 Ų138.683%0.83472%0.718SS**  trans-138.683.5155.549.80000110.9E26E26-T28 PolarHBondContact O-N 2.79Å
29G47.4Very low44.9Very low74 Ų74134.9 Ų134.976%0.76370%0.704SS**SBendtrans159.215.916500000120
30E47.8Very low45.7Very low129 Ų129131 Ų13160%0.60369%0.686SS**  trans-90.9-0.3-162.8-68-140.414100118.7S34E30-S34 VanDerWaalsContact O-CB 3.28Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.9Å
31D50.8Low46.8Very low113 Ų113127.4 Ų127.460%0.60466%0.664SS**Hα-helixtrans-84.6-23.1-161-128.5-31.3000116.1K35D31-K35 WeakPolarHBondContact O-CD 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.35Å; D31-K35 WeakPolarHBondContact OD1-CE 3.43Å; D31-K35 IonicContact OD1-NZ 2.73Å; D31-K35 PolarHBondContact OD1-NZ 3.47Å
32E46.6Very low48.1Very low175 Ų175125.2 Ų125.282%0.81865%0.654SS**Hα-helixtrans-93.3-35.4179-68.8-160.7152.900113.4A36E32-A36 WeakPolarHBondContact O-CB 3.48Å; E32-A36 PolarHBondContact O-N 3.17Å
33N52.7Low49.4Very low100 Ų100121.9 Ų121.954%0.53563%0.634SS.*Hα-helixtrans-77.1-32.3-177-162.727.1000112R37N33-R37 WeakPolarHBondContact O-CB 3.37Å; N33-R37 WeakPolarHBondContact O-CG 3.2Å; N33-R37 PolarHBondContact O-N 3.11Å; N33-R37 VanDerWaalsContact O-N 3.09Å
34S51Low50.8Low59 Ų59122 Ų12241%0.41363%0.628SS.*Hα-helixtrans-64.2-48.2172174.40000111E30 A36 R37 Q38E30-S34 VanDerWaalsContact O-CB 3.28Å; E30-S34 WeakPolarHBondContact O-CB 3.27Å; E30-S34 PolarHBondContact O-N 2.9Å; S34-A36 PolarHBondContact O-N 3.3Å; S34-R37 PolarHBondContact O-N 3.02Å; S34-Q38 WeakPolarHBondContact O-CB 3.34Å; S34-Q38 PolarHBondContact O-N 2.97Å
35K52.7Low52.2Low118 Ų118120 Ų12051%0.51362%0.618SS.*Hα-helixtrans-64.5-40.3177.8-71.8175.1-169.3138.80112.6D31 R37 Q38 L39D31-K35 WeakPolarHBondContact O-CD 3.24Å; D31-K35 WeakPolarHBondContact O-CG 3.35Å; D31-K35 WeakPolarHBondContact OD1-CE 3.43Å; D31-K35 IonicContact OD1-NZ 2.73Å; D31-K35 PolarHBondContact OD1-NZ 3.47Å; K35-R37 PolarHBondContact O-N 3.41Å; K35-Q38 PolarHBondContact O-N 2.88Å; K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.27Å; K35-L39 PolarHBondContact O-N 3.03Å
36A51.3Low53.9Low50 Ų50114.1 Ų114.141%0.41359%0.593SS.*Hα-helixtrans-63.6-39.3175.200000112.4E32 S34 T40E32-A36 WeakPolarHBondContact O-CB 3.48Å; E32-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact O-N 3.3Å; A36-T40 WeakPolarHBondContact O-CB 3.4Å; A36-T40 PolarHBondContact O-N 3.42Å; A36-T40 PolarHBondContact O-OG1 2.93Å
37R56.2Low55.4Low172 Ų172110.3 Ų110.365%0.64958%0.584SS**Hα-helixtrans-66.3-45173.7-77.6176.5176.2-179.9-1.1111.8N33 S34 K35 L39 T40 V41N33-R37 WeakPolarHBondContact O-CB 3.37Å; N33-R37 WeakPolarHBondContact O-CG 3.2Å; N33-R37 PolarHBondContact O-N 3.11Å; N33-R37 VanDerWaalsContact O-N 3.09Å; S34-R37 PolarHBondContact O-N 3.02Å; K35-R37 PolarHBondContact O-N 3.41Å; R37-L39 PolarHBondContact O-N 3.29Å; R37-T40 PolarHBondContact O-N 2.61Å; R37-V41 VanDerWaalsContact O-CG2 3.29Å; R37-V41 WeakPolarHBondContact O-CG2 3.44Å; R37-V41 PolarHBondContact O-N 2.78Å
38Q58.8Low56.7Low133 Ų133110.4 Ų110.462%0.62158%0.584SS**Hα-helixtrans-62.1-42.8177.2-125.5170.312.500111.7S34 K35 V41 Q42S34-Q38 WeakPolarHBondContact O-CB 3.34Å; S34-Q38 PolarHBondContact O-N 2.97Å; K35-Q38 PolarHBondContact O-N 2.88Å; Q38-V41 PolarHBondContact O-N 3.37Å; Q38-Q42 VanDerWaalsContact O-CB 3.28Å; Q38-Q42 WeakPolarHBondContact O-CB 3.47Å; Q38-Q42 PolarHBondContact O-N 3.13Å
39L55.3Low58Low98 Ų98107.3 Ų107.351%0.51356%0.562SS.*Hα-helixtrans-64.6-40.6176.8-149.991.5000111.5K35 R37 Q42 M43K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.27Å; K35-L39 PolarHBondContact O-N 3.03Å; R37-L39 PolarHBondContact O-N 3.29Å; L39-Q42 PolarHBondContact O-N 2.79Å; L39-M43 HydrophobicContact CD2-CE 3.88Å; L39-M43 HydrophobicContact CD2-SD 4.49Å; L39-M43 HydrophobicContact CG-CE 4.4Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.85Å
40T56.4Low58.8Low75 Ų75107.5 Ų107.546%0.4655%0.545SS..Hα-helixtrans-65.7-42177.1-53.40000111.4A36 R37 M43 M44A36-T40 WeakPolarHBondContact O-CB 3.4Å; A36-T40 PolarHBondContact O-N 3.42Å; A36-T40 PolarHBondContact O-OG1 2.93Å; R37-T40 PolarHBondContact O-N 2.61Å; T40-M43 PolarHBondContact O-N 2.82Å; T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 3.49Å
41V61.5Low59.8Low77 Ų77104 Ų10447%0.46754%0.538SS..Hα-helixtrans-63.9-41.8174.5170.90000110.9R37 Q38 M43 M44 Q45R37-V41 VanDerWaalsContact O-CG2 3.29Å; R37-V41 WeakPolarHBondContact O-CG2 3.44Å; R37-V41 PolarHBondContact O-N 2.78Å; Q38-V41 PolarHBondContact O-N 3.37Å; V41-M43 VanDerWaalsContact C-N 3.35Å; V41-M43 PolarHBondContact O-N 2.83Å; V41-M44 PolarHBondContact O-N 2.96Å; V41-Q45 VanDerWaalsContact O-CG 3.3Å; V41-Q45 WeakPolarHBondContact O-CG 3.31Å; V41-Q45 PolarHBondContact O-N 3.06Å
42Q62.8Low60.6Low132 Ų132101.1 Ų101.162%0.61753%0.53SS*.Hα-helixtrans-68.9-33.1178.5-160.1173.115.400112.4Q38 L39 Q45 N46Q38-Q42 VanDerWaalsContact O-CB 3.28Å; Q38-Q42 WeakPolarHBondContact O-CB 3.47Å; Q38-Q42 PolarHBondContact O-N 3.13Å; L39-Q42 PolarHBondContact O-N 2.79Å; Q42-Q45 PolarHBondContact O-N 3Å; Q42-N46 PolarHBondContact O-N 3.36Å
43M59.8Low61.3Low96 Ų9696.9 Ų96.947%0.47351%0.512SS..Hα-helixtrans-69.8-38.1172.3-75.6178168.600112.3L39 T40 V41 Q45 N46 I49L39-M43 HydrophobicContact CD2-CE 3.88Å; L39-M43 HydrophobicContact CD2-SD 4.49Å; L39-M43 HydrophobicContact CG-CE 4.4Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 VanDerWaalsContact O-CG 3.24Å; L39-M43 WeakPolarHBondContact O-CG 3.49Å; L39-M43 PolarHBondContact O-N 2.85Å; T40-M43 PolarHBondContact O-N 2.82Å; V41-M43 VanDerWaalsContact C-N 3.35Å; V41-M43 PolarHBondContact O-N 2.83Å; M43-Q45 VanDerWaalsContact C-N 3.27Å; M43-Q45 PolarHBondContact O-N 2.78Å; M43-N46 PolarHBondContact O-N 3.09Å; M43-I49 HydrophobicContact CB-CD1 4.16Å; M43-I49 HydrophobicContact CG-CD1 4.08Å
44M63.8Low61.7Low129 Ų12998.2 Ų98.264%0.63552%0.515SS*.Hα-helixtrans-73.3-14.6174.7-76.3179.8153.600113.7T40 V41 L50T40-M44 WeakPolarHBondContact O-CG 3.24Å; T40-M44 PolarHBondContact O-N 3.49Å; V41-M44 PolarHBondContact O-N 2.96Å; M44-L50 VanDerWaalsContact O-CD1 3.23Å; M44-L50 WeakPolarHBondContact O-CD1 3.39Å
45Q68.2Low62.4Low142 Ų142102.5 Ų102.566%0.66453%0.529SS*.THydrogen-bonded Turntrans-92.8-7174.5-74173.9-4.400113.1V41 Q42 M43 P47V41-Q45 VanDerWaalsContact O-CG 3.3Å; V41-Q45 WeakPolarHBondContact O-CG 3.31Å; V41-Q45 PolarHBondContact O-N 3.06Å; Q42-Q45 PolarHBondContact O-N 3Å; M43-Q45 VanDerWaalsContact C-N 3.27Å; M43-Q45 PolarHBondContact O-N 2.78Å; Q45-P47 VanDerWaalsContact O-CD 3.31Å; Q45-P47 WeakPolarHBondContact O-CD 3.46Å
46N72Confident62.8Low59 Ų59105.8 Ų105.832%0.31654%0.538SS..  trans-85.5113.4178.7-171.1-22.6000110.2Q42 M43 Q48 I49 L50Q42-N46 PolarHBondContact O-N 3.36Å; M43-N46 PolarHBondContact O-N 3.09Å; N46-Q48 PolarHBondContact O-N 2.91Å; N46-Q48 VanDerWaalsContact O-N 3.12Å; N46-Q48 PolarHBondContact OD1-N 2.67Å; N46-Q48 VanDerWaalsContact OD1-N 3.1Å; N46-I49 HydrophobicContact CB-CB 4.16Å; N46-I49 HydrophobicContact CB-CD1 3.93Å; N46-I49 HydrophobicContact CB-CG1 3.97Å; N46-I49 PolarHBondContact O-N 3.07Å; N46-L50 PolarHBondContact O-N 3.42Å
47P63.6Low63Low99 Ų99106.6 Ų106.664%0.64354%0.535SS*.Hα-helixtrans-59.2-28.2-177-2233.1000113.3Q45 A51Q45-P47 VanDerWaalsContact O-CD 3.31Å; Q45-P47 WeakPolarHBondContact O-CD 3.46Å; P47-A51 WeakPolarHBondContact O-CB 3.46Å; P47-A51 PolarHBondContact O-N 2.95Å
48Q70.8Confident63Low153 Ų153104.2 Ų104.272%0.71554%0.535SS*.Hα-helixtrans-76-32178.4-64.9179.1-15.500112.5N46 A52N46-Q48 PolarHBondContact O-N 2.91Å; N46-Q48 VanDerWaalsContact O-N 3.12Å; N46-Q48 PolarHBondContact OD1-N 2.67Å; N46-Q48 VanDerWaalsContact OD1-N 3.1Å; Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.1Å
49I67.7Low62.8Low71 Ų71101.1 Ų101.136%0.36454%0.539SS..Hα-helixtrans-76.1-40.3175.9-62.9179.7000109.6M43 N46 A52 L53M43-I49 HydrophobicContact CB-CD1 4.16Å; M43-I49 HydrophobicContact CG-CD1 4.08Å; N46-I49 HydrophobicContact CB-CB 4.16Å; N46-I49 HydrophobicContact CB-CD1 3.93Å; N46-I49 HydrophobicContact CB-CG1 3.97Å; N46-I49 PolarHBondContact O-N 3.07Å; I49-A52 PolarHBondContact O-N 2.87Å; I49-L53 VanDerWaalsContact O-CB 3.3Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 PolarHBondContact O-N 3.19Å
50L65.9Low62.5Low78 Ų7898.9 Ų98.941%0.40853%0.527SS..Hα-helixtrans-62.2-44.8171.8-74.2176000111.4M44 N46 L53 Q54M44-L50 VanDerWaalsContact O-CD1 3.23Å; M44-L50 WeakPolarHBondContact O-CD1 3.39Å; N46-L50 PolarHBondContact O-N 3.42Å; L50-L53 PolarHBondContact O-N 2.8Å; L50-Q54 WeakPolarHBondContact O-CB 3.37Å; L50-Q54 PolarHBondContact O-N 2.87Å
51A68.8Low62Low55 Ų55102.6 Ų102.646%0.45554%0.544SS..Hα-helixtrans-62.1-42.3175.200000112.2P47 Q54 E55P47-A51 WeakPolarHBondContact O-CB 3.46Å; P47-A51 PolarHBondContact O-N 2.95Å; A51-Q54 PolarHBondContact O-N 2.83Å; A51-E55 VanDerWaalsContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CB 3.49Å; A51-E55 PolarHBondContact O-N 3.46Å
52A66.1Low61.6Low52 Ų52102.3 Ų102.343%0.4356%0.557SS.*Hα-helixtrans-69.9-31.9176.300000113Q48 I49 R56Q48-A52 VanDerWaalsContact O-CB 3.25Å; Q48-A52 WeakPolarHBondContact O-CB 3.36Å; Q48-A52 PolarHBondContact O-N 3.1Å; I49-A52 PolarHBondContact O-N 2.87Å; A52-R56 VanDerWaalsContact O-CB 3.29Å; A52-R56 WeakPolarHBondContact O-CB 3.46Å; A52-R56 PolarHBondContact O-N 2.92Å; A52-R56 VanDerWaalsContact O-N 3.16Å
53L61.4Low60.8Low87 Ų87100 Ų10046%0.45556%0.555SS.*Hα-helixtrans-69-40.2172.4-15386.6000110.1I49 L50 R56 L57I49-L53 VanDerWaalsContact O-CB 3.3Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 PolarHBondContact O-N 3.19Å; L50-L53 PolarHBondContact O-N 2.8Å; L53-R56 PolarHBondContact O-N 3.33Å; L53-L57 HydrophobicContact CD2-CD1 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.79Å
54Q62.1Low60.6Low128 Ų128100.8 Ų100.860%0.59857%0.568SS**Hα-helixtrans-71.7-39.5179.9-166.8138.9-2.900112.2L50 A51 R56 L57 D58L50-Q54 WeakPolarHBondContact O-CB 3.37Å; L50-Q54 PolarHBondContact O-N 2.87Å; A51-Q54 PolarHBondContact O-N 2.83Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.14Å; Q54-L57 CarbonylContact O-C 3.58Å; Q54-L57 WeakPolarHBondContact O-CB 3.49Å; Q54-L57 PolarHBondContact O-N 2.9Å; Q54-D58 WeakPolarHBondContact O-CB 3.38Å; Q54-D58 PolarHBondContact O-N 2.73Å
55E65.4Low60.4Low148 Ų14898.4 Ų98.469%0.69256%0.564SS**Hα-helixtrans-63.4-36.3171.6-173.9-177.1178.300111.4A51 G59A51-E55 VanDerWaalsContact O-CB 3.25Å; A51-E55 WeakPolarHBondContact O-CB 3.49Å; A51-E55 PolarHBondContact O-N 3.46Å; E55-G59 PolarHBondContact O-N 2.88Å
56R60.3Low60.3Low188 Ų18893.6 Ų93.671%0.70955%0.552SS**Hα-helixtrans-75.3-31.8175.3-157.3173.6178.1179.8-1112.4A52 L53 Q54 L60A52-R56 VanDerWaalsContact O-CB 3.29Å; A52-R56 WeakPolarHBondContact O-CB 3.46Å; A52-R56 PolarHBondContact O-N 2.92Å; A52-R56 VanDerWaalsContact O-N 3.16Å; L53-R56 PolarHBondContact O-N 3.33Å; Q54-R56 VanDerWaalsContact C-N 3.29Å; Q54-R56 PolarHBondContact O-N 3.14Å; R56-L60 VanDerWaalsContact O-CD1 3.23Å; R56-L60 WeakPolarHBondContact O-CD1 3.31Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.08Å; R56-L60 PolarHBondContact O-N 3.49Å
57L57.2Low60.6Low66 Ų6694.6 Ų94.635%0.34655%0.552SS.*Hα-helixtrans-69.1-41.1171.1-87.7150.8000111.4L53 Q54 G59 L60 Y67L53-L57 HydrophobicContact CD2-CD1 4.31Å; L53-L57 HydrophobicContact CG-CD1 4.32Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.79Å; Q54-L57 CarbonylContact O-C 3.58Å; Q54-L57 WeakPolarHBondContact O-CB 3.49Å; Q54-L57 PolarHBondContact O-N 2.9Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.84Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.11Å; L57-Y67 HydrophobicContact CD1-CE2 4.49Å; L57-Y67 HydrophobicContact CD2-CD2 4.36Å; L57-Y67 HydrophobicContact CD2-CE1 4.1Å; L57-Y67 HydrophobicContact CD2-CE2 3.85Å; L57-Y67 HydrophobicContact CG-CE2 4Å
58D54.5Low61.5Low122 Ų12292.7 Ų92.765%0.65254%0.535SS*.Hα-helixtrans-63.6-37.9173.3-96.5-0000111.5Q54 L60Q54-D58 WeakPolarHBondContact O-CB 3.38Å; Q54-D58 PolarHBondContact O-N 2.73Å; D58-L60 PolarHBondContact O-N 2.78Å
59G55.4Low62Low69 Ų6991.9 Ų91.971%0.71153%0.532SS*.THydrogen-bonded Turntrans-72.4-3.2173.800000115.2E55 L57E55-G59 PolarHBondContact O-N 2.88Å; L57-G59 VanDerWaalsContact C-N 3.33Å; L57-G59 PolarHBondContact O-N 2.84Å
60L49.4Very low62.8Low51 Ų5192.1 Ų92.127%0.26754%0.539SS..THydrogen-bonded Turntrans-107.94.3-179-83.9163.7000113.4R56 L57 D58 G62 S63 Y67R56-L60 VanDerWaalsContact O-CD1 3.23Å; R56-L60 WeakPolarHBondContact O-CD1 3.31Å; R56-L60 VanDerWaalsContact O-CG 3.29Å; R56-L60 WeakPolarHBondContact O-CG 3.08Å; R56-L60 PolarHBondContact O-N 3.49Å; L57-L60 WeakPolarHBondContact O-CB 3.41Å; L57-L60 PolarHBondContact O-N 2.96Å; L57-L60 VanDerWaalsContact O-N 3.11Å; D58-L60 PolarHBondContact O-N 2.78Å; L60-G62 PolarHBondContact O-N 2.97Å; L60-S63 PolarHBondContact O-N 3.42Å; L60-Y67 HydrophobicContact CD1-CD2 3.65Å; L60-Y67 HydrophobicContact CD1-CG 3.97Å
61N45.1Very low63.9Low152 Ų15289.7 Ų89.781%0.81353%0.527SS*.THydrogen-bonded Turntrans-6096.2169.7-106.226.9000109.5
62G52.5Low65.1Low72 Ų7291 Ų9174%0.74253%0.531SS*.THydrogen-bonded Turntrans122.31.217400000117.1L60L60-G62 PolarHBondContact O-N 2.97Å
63S47.7Very low66.3Low82 Ų8297 Ų9757%0.57355%0.547SS*.  trans-143.889.5173.1-76.80000112.7L60 S65L60-S63 PolarHBondContact O-N 3.42Å; S63-S65 VanDerWaalsContact C-N 3.35Å; S63-S65 PolarHBondContact O-N 2.79Å
64P53.9Low67.9Low114 Ų11497.1 Ų97.174%0.7455%0.551SS**Hα-helixtrans-66.9-21.5-166.9-21.631.8000116.5
65S60.5Low69.3Low79 Ų7993.3 Ų93.355%0.55254%0.537SS*.Hα-helixtrans-76-39.2-165.674.40000113.7S63 Y67 E69S63-S65 VanDerWaalsContact C-N 3.35Å; S63-S65 PolarHBondContact O-N 2.79Å; S65-Y67 PolarHBondContact O-N 3.06Å; S65-E69 WeakPolarHBondContact O-CB 3.29Å; S65-E69 VanDerWaalsContact O-CG 3.29Å; S65-E69 WeakPolarHBondContact O-CG 3.42Å; S65-E69 PolarHBondContact O-N 3.12Å
66G66.6Low70.5Confident40 Ų4089.4 Ų89.441%0.41252%0.517SS..Hα-helixtrans-68.2-36.3-17400000114.1S70G66-S70 PolarHBondContact O-N 2.98Å; G66-S70 VanDerWaalsContact O-N 3.13Å
67Y78.5Confident72.1Confident81 Ų8189.9 Ų89.932%0.31852%0.519SS..Hα-helixtrans-68-51.3177.3-175.1-110.6000111.4L57 L60 S65 E69 S70 L71L57-Y67 HydrophobicContact CD1-CE2 4.49Å; L57-Y67 HydrophobicContact CD2-CD2 4.36Å; L57-Y67 HydrophobicContact CD2-CE1 4.1Å; L57-Y67 HydrophobicContact CD2-CE2 3.85Å; L57-Y67 HydrophobicContact CG-CE2 4Å; L60-Y67 HydrophobicContact CD1-CD2 3.65Å; L60-Y67 HydrophobicContact CD1-CG 3.97Å; S65-Y67 PolarHBondContact O-N 3.06Å; Y67-E69 PolarHBondContact O-N 3.12Å; Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.36Å; Y67-S70 PolarHBondContact O-OG 2.8Å; Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CE1-CD1 4.19Å; Y67-L71 HydrophobicContact CE1-CD2 3.97Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.46Å; Y67-L71 PolarHBondContact O-N 3.45Å
68M81.1Confident73.9Confident59 Ų5994.7 Ų94.729%0.29153%0.532SS..Hα-helixtrans-55.5-41.3178.2-17476.2-179.800110.5S70 L71 K76 V79M68-S70 PolarHBondContact O-N 3.28Å; M68-L71 PolarHBondContact O-N 3.31Å; M68-L71 HydrophobicContact SD-CD1 4.3Å; M68-K76 WeakPolarHBondContact O-CE 3.49Å; M68-V79 HydrophobicContact CE-CB 3.99Å; M68-V79 HydrophobicContact CE-CG1 3.6Å; M68-V79 HydrophobicContact SD-CG1 4.09Å
69E81.2Confident75.8Confident136 Ų13690.8 Ų90.864%0.63651%0.513SS*.Hα-helixtrans-65.4-33.9176.4-76.3176.7-164.200113.7S65 Y67 L71 K76S65-E69 WeakPolarHBondContact O-CB 3.29Å; S65-E69 VanDerWaalsContact O-CG 3.29Å; S65-E69 WeakPolarHBondContact O-CG 3.42Å; S65-E69 PolarHBondContact O-N 3.12Å; Y67-E69 PolarHBondContact O-N 3.12Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.12Å; E69-K76 WeakPolarHBondContact O-CE 3.41Å; E69-K76 PolarHBondContact O-NZ 2.94Å
70S85.4Confident77.5Confident75 Ų7591.4 Ų91.452%0.52450%0.5SS..Hα-helixtrans-73.5-16.4177.8780000114.4G66 Y67 M68G66-S70 PolarHBondContact O-N 2.98Å; G66-S70 VanDerWaalsContact O-N 3.13Å; Y67-S70 WeakPolarHBondContact O-CB 3.37Å; Y67-S70 PolarHBondContact O-N 3.36Å; Y67-S70 PolarHBondContact O-OG 2.8Å; M68-S70 PolarHBondContact O-N 3.28Å
71L88.8Confident79.7Confident28 Ų2891.4 Ų91.415%0.14751%0.507CS..SBendtrans-68.9143.5-177.1-67175.6000112.9Y67 M68 E69 V75 K76Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CE1-CD1 4.19Å; Y67-L71 HydrophobicContact CE1-CD2 3.97Å; Y67-L71 HydrophobicContact CE1-CG 4.31Å; Y67-L71 HydrophobicContact CE2-CD2 4.46Å; Y67-L71 PolarHBondContact O-N 3.45Å; M68-L71 PolarHBondContact O-N 3.31Å; M68-L71 HydrophobicContact SD-CD1 4.3Å; E69-L71 VanDerWaalsContact C-N 3.29Å; E69-L71 PolarHBondContact O-N 3.12Å; L71-V75 HydrophobicContact CB-CB 4.37Å; L71-V75 HydrophobicContact CB-CG1 4.37Å; L71-V75 HydrophobicContact CD1-CG1 4.05Å; L71-V75 HydrophobicContact CD2-CG1 4.27Å; L71-V75 HydrophobicContact CG-CG1 4.47Å; L71-K76 HydrophobicContact CB-CG 4.08Å; L71-K76 WeakPolarHBondContact O-CE 3.48Å
72P93.5Very high82.1Confident82 Ų8289.5 Ų89.553%0.53250%0.497SS..  trans-57149.2173.1-24.933.5000112.7V74 V75 K76P72-V74 PolarHBondContact O-N 3.2Å; P72-V74 VanDerWaalsContact O-N 3.1Å; P72-V75 HydrophobicContact CB-CG2 4.26Å; P72-V75 HydrophobicContact CG-CG2 4.26Å; P72-V75 WeakPolarHBondContact O-CA 3.32Å; P72-V75 WeakPolarHBondContact O-CB 3.39Å; P72-V75 PolarHBondContact O-N 3.13Å; P72-K76 PolarHBondContact O-N 2.85Å
73K91.8Very high84.1Confident178 Ų17890.7 Ų90.777%0.77448%0.481SS*.Hα-helixtrans-52.7-37.1179.2-68.5-176.7179.9179.10113K76 R77K73-K76 PolarHBondContact O-N 3.27Å; K73-R77 WeakPolarHBondContact O-CG 3.47Å; K73-R77 PolarHBondContact O-N 3.35Å
74V94.5Very high86.3Confident89 Ų8991.9 Ų91.954%0.53948%0.481SS..Hα-helixtrans-64.6-40.3177.8-179.60000111.4P72 R78P72-V74 PolarHBondContact O-N 3.2Å; P72-V74 VanDerWaalsContact O-N 3.1Å; V74-R78 WeakPolarHBondContact O-CG 3.46Å; V74-R78 PolarHBondContact O-N 3.34Å
75V92.3Very high88.3Confident49 Ų4991 Ų9130%0.29747%0.47SS..Hα-helixtrans-70.8-45.3177.6-1780000110.2L71 P72 R77 R78 V79L71-V75 HydrophobicContact CB-CB 4.37Å; L71-V75 HydrophobicContact CB-CG1 4.37Å; L71-V75 HydrophobicContact CD1-CG1 4.05Å; L71-V75 HydrophobicContact CD2-CG1 4.27Å; L71-V75 HydrophobicContact CG-CG1 4.47Å; P72-V75 HydrophobicContact CB-CG2 4.26Å; P72-V75 HydrophobicContact CG-CG2 4.26Å; P72-V75 WeakPolarHBondContact O-CA 3.32Å; P72-V75 WeakPolarHBondContact O-CB 3.39Å; P72-V75 PolarHBondContact O-N 3.13Å; V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 2.62Å; V75-R78 WeakPolarHBondContact O-CA 3.36Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.48Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; V75-V79 WeakPolarHBondContact O-CG2 3.45Å; V75-V79 PolarHBondContact O-N 2.6Å
76K90.3Very high89.9Confident65 Ų6592 Ų9228%0.28347%0.466SS..Hα-helixtrans-54.9-41.1174-70.3176.2173.11700112.6M68 E69 L71 P72 K73 R78 V79 N80M68-K76 WeakPolarHBondContact O-CE 3.49Å; E69-K76 WeakPolarHBondContact O-CE 3.41Å; E69-K76 PolarHBondContact O-NZ 2.94Å; L71-K76 HydrophobicContact CB-CG 4.08Å; L71-K76 WeakPolarHBondContact O-CE 3.48Å; P72-K76 PolarHBondContact O-N 2.85Å; K73-K76 PolarHBondContact O-N 3.27Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.06Å; K76-V79 PolarHBondContact O-N 3.1Å; K76-N80 PolarHBondContact O-N 3.18Å
77R93.6Very high91.1Very high198 Ų19891.6 Ų91.675%0.74746%0.455SS*.Hα-helixtrans-61.5-40.6174.3-76179.170.3-175.31.9112.4K73 V75 A81K73-R77 WeakPolarHBondContact O-CG 3.47Å; K73-R77 PolarHBondContact O-N 3.35Å; V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 2.62Å; R77-A81 PolarHBondContact O-N 2.8Å
78R95.6Very high91.9Very high167 Ų16794 Ų9463%0.6347%0.468SS*.Hα-helixtrans-64.9-45.5175.3-68.2171.1-179.8170.2-1.8111V74 V75 K76 N80 A81 L82V74-R78 WeakPolarHBondContact O-CG 3.46Å; V74-R78 PolarHBondContact O-N 3.34Å; V75-R78 WeakPolarHBondContact O-CA 3.36Å; V75-R78 WeakPolarHBondContact O-CB 3.49Å; V75-R78 PolarHBondContact O-N 3.48Å; K76-R78 VanDerWaalsContact C-N 3.35Å; K76-R78 PolarHBondContact O-N 3.06Å; R78-N80 PolarHBondContact O-N 3.49Å; R78-A81 WeakPolarHBondContact O-CB 3.45Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.11Å; R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.86Å
79V93.6Very high92.5Very high40 Ų4093.8 Ų93.824%0.24247%0.471CS..Hα-helixtrans-61.2-42.9176.7179.50000111.4M68 V75 K76 A81 L82 K83M68-V79 HydrophobicContact CE-CB 3.99Å; M68-V79 HydrophobicContact CE-CG1 3.6Å; M68-V79 HydrophobicContact SD-CG1 4.09Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; V75-V79 WeakPolarHBondContact O-CG2 3.45Å; V75-V79 PolarHBondContact O-N 2.6Å; K76-V79 PolarHBondContact O-N 3.1Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.07Å; V79-L82 WeakPolarHBondContact O-CB 3.4Å; V79-L82 PolarHBondContact O-N 2.74Å; V79-L82 VanDerWaalsContact O-N 3.1Å; V79-K83 PolarHBondContact O-N 2.96Å
80N92.1Very high93Very high82 Ų8287.5 Ų87.544%0.43944%0.442SS..Hα-helixtrans-63.6-35.4175-71.5-9.1000112.3K76 R78 L82 K83 N84K76-N80 PolarHBondContact O-N 3.18Å; R78-N80 PolarHBondContact O-N 3.49Å; N80-L82 VanDerWaalsContact C-N 3.34Å; N80-K83 PolarHBondContact O-N 3.05Å; N80-N84 PolarHBondContact O-N 3.39Å
81A95.4Very high93.3Very high51 Ų5188.8 Ų88.842%0.42144%0.44SS..Hα-helixtrans-65-38.2172.400000111.9R77 R78 V79 N84 L85R77-A81 PolarHBondContact O-N 2.8Å; R78-A81 WeakPolarHBondContact O-CB 3.45Å; R78-A81 PolarHBondContact O-N 3.15Å; R78-A81 VanDerWaalsContact O-N 3.11Å; V79-A81 VanDerWaalsContact C-N 3.29Å; V79-A81 PolarHBondContact O-N 3.07Å; A81-N84 PolarHBondContact O-N 3.02Å; A81-L85 PolarHBondContact O-N 3.26Å; A81-L85 VanDerWaalsContact O-N 3.16Å
82L96.1Very high93.6Very high112 Ų11293 Ų9359%0.58646%0.461SS*.Hα-helixtrans-64.6-42.1172.9-64.6175.8000111.7R78 V79 N80 N84 L85 Q86R78-L82 WeakPolarHBondContact O-CG 3.43Å; R78-L82 PolarHBondContact O-N 2.86Å; V79-L82 WeakPolarHBondContact O-CB 3.4Å; V79-L82 PolarHBondContact O-N 2.74Å; V79-L82 VanDerWaalsContact O-N 3.1Å; N80-L82 VanDerWaalsContact C-N 3.34Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.14Å; L82-L85 HydrophobicContact CD2-CD1 4.31Å; L82-L85 WeakPolarHBondContact O-CA 2.82Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 3.45Å; L82-Q86 PolarHBondContact O-N 3.44Å
83K93.7Very high93.6Very high98 Ų9893.1 Ų93.143%0.42646%0.455SS..Hα-helixtrans-57.4-41.8173.4-74.2-170174.7-161.50112.1V79 N80 L85 Q86 V87 F250V79-K83 PolarHBondContact O-N 2.96Å; N80-K83 PolarHBondContact O-N 3.05Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 3.24Å; K83-Q86 WeakPolarHBondContact O-CB 3.16Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-Q86 VanDerWaalsContact O-N 3.16Å; K83-V87 WeakPolarHBondContact O-CG2 3.41Å; K83-V87 PolarHBondContact O-N 2.74Å; K83-F250 HydrophobicContact CB-CE1 4.25Å; K83-F250 HydrophobicContact CB-CZ 3.86Å; K83-F250 HydrophobicContact CD-CZ 4.32Å; K83-F250 HydrophobicContact CG-CZ 4.24Å
84N93.5Very high93.6Very high107 Ų10784.8 Ų84.857%0.57242%0.419SS*.Hα-helixtrans-64.6-31.6174.7-68.7-17.9000113N80 A81 L82 K88N80-N84 PolarHBondContact O-N 3.39Å; A81-N84 PolarHBondContact O-N 3.02Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.14Å; N84-K88 WeakPolarHBondContact O-CG 3.21Å; N84-K88 PolarHBondContact O-N 3.18Å
85L95.9Very high93.4Very high94 Ų9486.7 Ų86.749%0.49242%0.42SS..Hα-helixtrans-69.5-41.8171.9-67.6174.1000110.8A81 L82 K83 V87 K88 C89A81-L85 PolarHBondContact O-N 3.26Å; A81-L85 VanDerWaalsContact O-N 3.16Å; L82-L85 HydrophobicContact CD2-CD1 4.31Å; L82-L85 WeakPolarHBondContact O-CA 2.82Å; L82-L85 WeakPolarHBondContact O-CB 3.4Å; L82-L85 PolarHBondContact O-N 3.45Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 3.24Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.94Å; L85-K88 HydrophobicContact CD2-CD 4.49Å; L85-K88 WeakPolarHBondContact O-CA 3.38Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.99Å; L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 3.45Å; L85-C89 VanDerWaalsContact O-SG 3.41Å
86Q93.8Very high93.6Very high102 Ų10290 Ų9048%0.47743%0.431SS..Hα-helixtrans-59.4-42.1176.9-172.765.135.900112.1L82 K83 K88 C89 A90 F250L82-Q86 PolarHBondContact O-N 3.44Å; K83-Q86 WeakPolarHBondContact O-CB 3.16Å; K83-Q86 PolarHBondContact O-N 3.45Å; K83-Q86 VanDerWaalsContact O-N 3.16Å; Q86-K88 VanDerWaalsContact C-N 3.27Å; Q86-K88 PolarHBondContact O-N 3.39Å; Q86-C89 WeakPolarHBondContact O-CA 3.44Å; Q86-C89 VanDerWaalsContact O-CB 3.32Å; Q86-C89 WeakPolarHBondContact O-CB 3.3Å; Q86-C89 PolarHBondContact O-N 3.02Å; Q86-A90 PolarHBondContact O-N 3.44Å; Q86-F250 HydrophobicContact CB-CD1 4.49Å; Q86-F250 HydrophobicContact CB-CE1 4.03Å; Q86-F250 HydrophobicContact CG-CD1 4.02Å; Q86-F250 HydrophobicContact CG-CE1 4.08Å
87V93.1Very high93.7Very high31 Ų3190.4 Ų90.419%0.18843%0.431CS..Hα-helixtrans-59.7-38.7173.7175.20000111.3K83 L85 C89 A90 H91 P249 F250K83-V87 WeakPolarHBondContact O-CG2 3.41Å; K83-V87 PolarHBondContact O-N 2.74Å; L85-V87 VanDerWaalsContact C-N 3.33Å; L85-V87 PolarHBondContact O-N 2.94Å; V87-C89 VanDerWaalsContact C-N 3.33Å; V87-A90 PolarHBondContact O-N 3.24Å; V87-H91 PolarHBondContact O-N 3.19Å; V87-H91 VanDerWaalsContact O-N 3.13Å; V87-H91 PolarHBondContact O-ND1 3.16Å; V87-P249 HydrophobicContact CG1-CB 4.2Å; V87-P249 HydrophobicContact CG2-CB 4.03Å; V87-P249 HydrophobicContact CG2-CG 3.79Å; V87-F250 HydrophobicContact CG2-CE1 3.71Å; V87-F250 HydrophobicContact CG2-CE2 4.46Å; V87-F250 HydrophobicContact CG2-CZ 3.64Å
88K94.1Very high93.5Very high132 Ų13284.8 Ų84.857%0.57441%0.413SS*.Hα-helixtrans-66.5-35.5175.1-67174.9-177.4-177.90112.2N84 L85 Q86 H91 I92N84-K88 WeakPolarHBondContact O-CG 3.21Å; N84-K88 PolarHBondContact O-N 3.18Å; L85-K88 HydrophobicContact CD2-CD 4.49Å; L85-K88 WeakPolarHBondContact O-CA 3.38Å; L85-K88 WeakPolarHBondContact O-CB 3.37Å; L85-K88 PolarHBondContact O-N 2.99Å; Q86-K88 VanDerWaalsContact C-N 3.27Å; Q86-K88 PolarHBondContact O-N 3.39Å; K88-H91 PolarHBondContact O-N 3.11Å; K88-I92 WeakPolarHBondContact O-CG1 2.98Å; K88-I92 PolarHBondContact O-N 3.28Å
89C93.8Very high93.4Very high53 Ų5383.3 Ų83.336%0.35841%0.414SS..Hα-helixtrans-60.3-48.6172.6-61.80000110.5L85 Q86 V87 H91 I92 E93L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 3.45Å; L85-C89 VanDerWaalsContact O-SG 3.41Å; Q86-C89 WeakPolarHBondContact O-CA 3.44Å; Q86-C89 VanDerWaalsContact O-CB 3.32Å; Q86-C89 WeakPolarHBondContact O-CB 3.3Å; Q86-C89 PolarHBondContact O-N 3.02Å; V87-C89 VanDerWaalsContact C-N 3.33Å; C89-H91 VanDerWaalsContact C-N 3.27Å; C89-H91 PolarHBondContact O-N 3.31Å; C89-I92 WeakPolarHBondContact O-CA 3.3Å; C89-I92 WeakPolarHBondContact O-CB 3.38Å; C89-I92 PolarHBondContact O-N 3.08Å; C89-E93 PolarHBondContact O-N 2.85Å
90A92.3Very high93.3Very high5 Ų583.6 Ų83.64%0.04142%0.415CS..Hα-helixtrans-56.9-38.8177.300000112.6Q86 V87 I92 E93 A94 P244 F252Q86-A90 PolarHBondContact O-N 3.44Å; V87-A90 PolarHBondContact O-N 3.24Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 2.92Å; A90-E93 PolarHBondContact O-N 2.83Å; A90-A94 WeakPolarHBondContact O-CB 3.38Å; A90-A94 PolarHBondContact O-N 3.02Å; A90-P244 HydrophobicContact CB-CB 4.33Å; A90-P244 HydrophobicContact CB-CG 3.78Å; A90-F252 HydrophobicContact CB-CD1 4.07Å
91H92.4Very high93.3Very high101 Ų10180 Ų8047%0.46840%0.396SS..Hα-helixtrans-69.1-26174.8-73.777000113.9V87 K88 C89V87-H91 PolarHBondContact O-N 3.19Å; V87-H91 VanDerWaalsContact O-N 3.13Å; V87-H91 PolarHBondContact O-ND1 3.16Å; K88-H91 PolarHBondContact O-N 3.11Å; C89-H91 VanDerWaalsContact C-N 3.27Å; C89-H91 PolarHBondContact O-N 3.31Å
92I93.9Very high93.1Very high117 Ų11782.8 Ų82.860%0.640%0.4SS*.Hα-helixtrans-77.7-42.7173.8-67.2166.6000109.3K88 C89 A90 A94 K95 F96K88-I92 WeakPolarHBondContact O-CG1 2.98Å; K88-I92 PolarHBondContact O-N 3.28Å; C89-I92 WeakPolarHBondContact O-CA 3.3Å; C89-I92 WeakPolarHBondContact O-CB 3.38Å; C89-I92 PolarHBondContact O-N 3.08Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 2.92Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 2.73Å; I92-K95 WeakPolarHBondContact O-CB 3.42Å; I92-K95 PolarHBondContact O-N 3.44Å; I92-F96 PolarHBondContact O-N 3.45Å
93E92.9Very high93Very high84 Ų8481.8 Ų81.839%0.39340%0.395SS..Hα-helixtrans-59.9-41.9174.7-71.7164.8-173.200111.5C89 A90 K95 F96 Y97 F252C89-E93 PolarHBondContact O-N 2.85Å; A90-E93 PolarHBondContact O-N 2.83Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.01Å; E93-F96 WeakPolarHBondContact O-CA 3.38Å; E93-F96 VanDerWaalsContact O-CB 3.31Å; E93-F96 WeakPolarHBondContact O-CB 3.04Å; E93-F96 PolarHBondContact O-N 3.34Å; E93-Y97 WeakPolarHBondContact O-CD2 3.1Å; E93-Y97 PolarHBondContact O-N 2.86Å; E93-F252 HydrophobicContact CB-CE1 3.88Å
94A91.9Very high93Very high4 Ų479.8 Ų79.83%0.03339%0.387CS..Hα-helixtrans-51.4-46.1172.300000113A90 I92 Y97 E98 S242 P244 F252A90-A94 WeakPolarHBondContact O-CB 3.38Å; A90-A94 PolarHBondContact O-N 3.02Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 2.73Å; A94-Y97 PolarHBondContact O-N 3.05Å; A94-E98 WeakPolarHBondContact O-CG 3.31Å; A94-E98 PolarHBondContact O-N 3.46Å; A94-S242 WeakPolarHBondContact CA-O 3.38Å; A94-S242 WeakPolarHBondContact CB-O 3.23Å; A94-P244 HydrophobicContact CB-CG 4.49Å; A94-F252 HydrophobicContact CB-CZ 4.19Å
95K92.3Very high92.9Very high129 Ų12976.7 Ų76.756%0.56137%0.367SS*.Hα-helixtrans-67.5-38.4176.9-67.3177.4-178.4-177.90112.5I92 E93 Y97 E98 E99I92-K95 WeakPolarHBondContact O-CB 3.42Å; I92-K95 PolarHBondContact O-N 3.44Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.01Å; K95-Y97 VanDerWaalsContact C-N 3.28Å; K95-Y97 PolarHBondContact O-N 2.87Å; K95-E98 WeakPolarHBondContact O-CB 3.21Å; K95-E98 PolarHBondContact O-N 3.48Å; K95-E99 PolarHBondContact O-N 3.03Å
96F94.5Very high92.9Very high119 Ų11978.6 Ų78.652%0.52237%0.372SS..Hα-helixtrans-57.4-45.9173.5164.7-98.6000110.5I92 E93 E98 E99 V100I92-F96 PolarHBondContact O-N 3.45Å; E93-F96 WeakPolarHBondContact O-CA 3.38Å; E93-F96 VanDerWaalsContact O-CB 3.31Å; E93-F96 WeakPolarHBondContact O-CB 3.04Å; E93-F96 PolarHBondContact O-N 3.34Å; F96-E98 PolarHBondContact O-N 3.48Å; F96-E99 PolarHBondContact O-N 2.83Å; F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.37Å; F96-V100 HydrophobicContact CE1-CG2 3.8Å; F96-V100 HydrophobicContact CE2-CG2 3.92Å; F96-V100 HydrophobicContact CZ-CG2 3.61Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.74Å
97Y92.6Very high93Very high73 Ų7378.8 Ų78.829%0.28637%0.369SS..Hα-helixtrans-70-31.1178.4-74.5-67.4000114.2E93 A94 K95 V100 H101 F252 G254 P255E93-Y97 WeakPolarHBondContact O-CD2 3.1Å; E93-Y97 PolarHBondContact O-N 2.86Å; A94-Y97 PolarHBondContact O-N 3.05Å; K95-Y97 VanDerWaalsContact C-N 3.28Å; K95-Y97 PolarHBondContact O-N 2.87Å; Y97-V100 PolarHBondContact O-N 2.84Å; Y97-H101 WeakPolarHBondContact O-CB 3.25Å; Y97-H101 PolarHBondContact O-N 2.97Å; Y97-F252 HydrophobicContact CD2-CE1 4.39Å; Y97-F252 HydrophobicContact CD2-CZ 4.05Å; Y97-F252 HydrophobicContact CE2-CE1 4.47Å; Y97-F252 HydrophobicContact CE2-CZ 4.44Å; Y97-G254 VanDerWaalsContact CE2-CA 3.5Å; Y97-P255 HydrophobicContact CD1-CG 3.55Å; Y97-P255 HydrophobicContact CD2-CG 4.36Å; Y97-P255 HydrophobicContact CE1-CG 4.3Å; Y97-P255 VanDerWaalsContact CG-CD 3.43Å; Y97-P255 HydrophobicContact CG-CG 3.58Å
98E90.3Very high93Very high80 Ų8078.4 Ų78.437%0.37437%0.369SS..Hα-helixtrans-59-47.9168.7-74173.8-174.600111.1A94 K95 F96 H101 E102 S242A94-E98 WeakPolarHBondContact O-CG 3.31Å; A94-E98 PolarHBondContact O-N 3.46Å; K95-E98 WeakPolarHBondContact O-CB 3.21Å; K95-E98 PolarHBondContact O-N 3.48Å; F96-E98 PolarHBondContact O-N 3.48Å; E98-H101 WeakPolarHBondContact O-CB 3.44Å; E98-H101 PolarHBondContact O-N 2.85Å; E98-E102 WeakPolarHBondContact O-CG 3.48Å; E98-E102 PolarHBondContact O-N 2.68Å; E98-S242 WeakPolarHBondContact CG-OG 3.33Å
99E92.9Very high93Very high136 Ų13675.4 Ų75.464%0.63637%0.369SS*.Hα-helixtrans-63.5-40.3176.9-70.7-177.3-157.500112.3K95 F96 H101 E102 L103K95-E99 PolarHBondContact O-N 3.03Å; F96-E99 PolarHBondContact O-N 2.83Å; E99-H101 VanDerWaalsContact C-N 3.32Å; E99-H101 PolarHBondContact O-N 2.8Å; E99-E102 PolarHBondContact O-N 2.71Å; E99-L103 PolarHBondContact O-N 2.86Å
100V92.8Very high93.1Very high45 Ų4578 Ų7827%0.27338%0.379SS..Hα-helixtrans-58.7-45.4172.9169.60000110.3F96 Y97 E102 L103 E104F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CD2-CG2 4.37Å; F96-V100 HydrophobicContact CE1-CG2 3.8Å; F96-V100 HydrophobicContact CE2-CG2 3.92Å; F96-V100 HydrophobicContact CZ-CG2 3.61Å; F96-V100 WeakPolarHBondContact O-CG2 3.45Å; F96-V100 PolarHBondContact O-N 2.74Å; Y97-V100 PolarHBondContact O-N 2.84Å; V100-E102 VanDerWaalsContact C-N 3.3Å; V100-E102 PolarHBondContact O-N 2.61Å; V100-L103 CarbonylContact O-C 3.49Å; V100-L103 WeakPolarHBondContact O-CA 3.37Å; V100-L103 VanDerWaalsContact O-CB 3.25Å; V100-L103 WeakPolarHBondContact O-CB 3.19Å; V100-L103 PolarHBondContact O-N 2.87Å; V100-E104 HydrophobicContact CG1-CG 4.38Å; V100-E104 WeakPolarHBondContact O-CG 3.3Å; V100-E104 PolarHBondContact O-N 3.13Å
101H90.8Very high93.3Very high6 Ų683.6 Ų83.63%0.02840%0.4CS..Hα-helixtrans-63.8-35.6178.2178.956.9000112.3Y97 E98 E99 L103 E104 R105 F208 M215Y97-H101 WeakPolarHBondContact O-CB 3.25Å; Y97-H101 PolarHBondContact O-N 2.97Å; E98-H101 WeakPolarHBondContact O-CB 3.44Å; E98-H101 PolarHBondContact O-N 2.85Å; E99-H101 VanDerWaalsContact C-N 3.32Å; E99-H101 PolarHBondContact O-N 2.8Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.16Å; H101-E104 IonicContact ND1-OE2 3.33Å; H101-E104 PolarHBondContact ND1-OE2 3.25Å; H101-E104 PolarHBondContact O-N 3.04Å; H101-R105 PolarHBondContact CD2-NH1 3.28Å; H101-R105 PolarHBondContact NE2-NH1 2.85Å; H101-R105 VanDerWaalsContact NE2-NH1 3.13Å; H101-R105 WeakPolarHBondContact O-CG 3.37Å; H101-R105 PolarHBondContact O-N 3.13Å; H101-F208 AromaticContact CE1-CD1 3.72Å; H101-M215 HydrophobicContact CB-CE 3.51Å; H101-M215 HydrophobicContact CB-SD 4.21Å
102E91.8Very high93.4Very high111 Ų11181.4 Ų81.452%0.51939%0.389SS..Hα-helixtrans-64.2-37.8172.1-46.3-146.2119.500112.4E98 E99 V100 R105 K106E98-E102 WeakPolarHBondContact O-CG 3.48Å; E98-E102 PolarHBondContact O-N 2.68Å; E99-E102 PolarHBondContact O-N 2.71Å; V100-E102 VanDerWaalsContact C-N 3.3Å; V100-E102 PolarHBondContact O-N 2.61Å; E102-R105 VanDerWaalsContact CG-NH2 3.27Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 2.73Å; E102-R105 PolarHBondContact OE1-NH2 3.06Å; E102-K106 PolarHBondContact O-N 2.85Å; E102-K106 VanDerWaalsContact O-N 3.11Å
103L94.5Very high93.6Very high91 Ų9179.7 Ų79.748%0.47639%0.386SS..Hα-helixtrans-65.2-45.7175.2-167.165.7000111E99 V100 H101 R105 K106 Y107E99-L103 PolarHBondContact O-N 2.86Å; V100-L103 CarbonylContact O-C 3.49Å; V100-L103 WeakPolarHBondContact O-CA 3.37Å; V100-L103 VanDerWaalsContact O-CB 3.25Å; V100-L103 WeakPolarHBondContact O-CB 3.19Å; V100-L103 PolarHBondContact O-N 2.87Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 3.16Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.04Å; L103-K106 WeakPolarHBondContact O-CB 3.03Å; L103-K106 PolarHBondContact O-N 2.99Å; L103-K106 VanDerWaalsContact O-N 3.09Å; L103-Y107 HydrophobicContact CD1-CD2 3.93Å; L103-Y107 HydrophobicContact CD1-CE2 3.58Å; L103-Y107 HydrophobicContact CG-CD2 4Å; L103-Y107 HydrophobicContact CG-CE2 4.01Å; L103-Y107 WeakPolarHBondContact O-CD2 3.05Å; L103-Y107 PolarHBondContact O-N 3.43Å
104E92.8Very high93.7Very high56 Ų5681 Ų8126%0.26240%0.395SS..Hα-helixtrans-54.1-48.4174.2-70.9175.7158.800110.9V100 H101 K106 Y107 A108 F208 R338V100-E104 HydrophobicContact CG1-CG 4.38Å; V100-E104 WeakPolarHBondContact O-CG 3.3Å; V100-E104 PolarHBondContact O-N 3.13Å; H101-E104 IonicContact ND1-OE2 3.33Å; H101-E104 PolarHBondContact ND1-OE2 3.25Å; H101-E104 PolarHBondContact O-N 3.04Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 2.71Å; E104-Y107 PolarHBondContact O-N 3.12Å; E104-A108 VanDerWaalsContact O-CB 3.28Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.43Å; E104-F208 HydrophobicContact CB-CZ 4.46Å; E104-R338 IonicContact OE1-NH2 2.99Å; E104-R338 PolarHBondContact OE1-NH2 2.83Å; E104-R338 IonicContact OE2-CZ 3.86Å; E104-R338 IonicContact OE2-NH2 2.79Å; E104-R338 PolarHBondContact OE2-NH2 3.14Å
105R92.6Very high94Very high42 Ų4282.8 Ų82.816%0.15840%0.402CS..Hα-helixtrans-57.6-43.1176.7-69.6-168.2-53-101.83.4112.2H101 E102 L103 A109 F208 S209H101-R105 PolarHBondContact CD2-NH1 3.28Å; H101-R105 PolarHBondContact NE2-NH1 2.85Å; H101-R105 VanDerWaalsContact NE2-NH1 3.13Å; H101-R105 WeakPolarHBondContact O-CG 3.37Å; H101-R105 PolarHBondContact O-N 3.13Å; E102-R105 VanDerWaalsContact CG-NH2 3.27Å; E102-R105 PolarHBondContact O-N 3.34Å; E102-R105 IonicContact OE1-NH2 2.73Å; E102-R105 PolarHBondContact OE1-NH2 3.06Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.04Å; R105-A109 PolarHBondContact O-N 2.61Å; R105-F208 HydrophobicContact CG-CB 3.75Å; R105-F208 HydrophobicContact CG-CG 4.18Å; R105-S209 WeakPolarHBondContact CD-O 3.18Å
106K94.4Very high94.2Very high133 Ų13379.1 Ų79.158%0.57839%0.389SS*.Hα-helixtrans-62.5-45.1179.2179.7-173.1174.6-171.60111.5E102 L103 E104E102-K106 PolarHBondContact O-N 2.85Å; E102-K106 VanDerWaalsContact O-N 3.11Å; L103-K106 WeakPolarHBondContact O-CB 3.03Å; L103-K106 PolarHBondContact O-N 2.99Å; L103-K106 VanDerWaalsContact O-N 3.09Å; E104-K106 VanDerWaalsContact C-N 3.3Å; E104-K106 PolarHBondContact O-N 2.71Å
107Y95.6Very high94.3Very high106 Ų10677.2 Ų77.242%0.41638%0.38SS..Hα-helixtrans-77.2-30.3-179-82.1-94.5000112.7L103 E104 A109 L110 Y111L103-Y107 HydrophobicContact CD1-CD2 3.93Å; L103-Y107 HydrophobicContact CD1-CE2 3.58Å; L103-Y107 HydrophobicContact CG-CD2 4Å; L103-Y107 HydrophobicContact CG-CE2 4.01Å; L103-Y107 WeakPolarHBondContact O-CD2 3.05Å; L103-Y107 PolarHBondContact O-N 3.43Å; E104-Y107 PolarHBondContact O-N 3.12Å; Y107-A109 PolarHBondContact O-N 3.03Å; Y107-L110 HydrophobicContact CD1-CD1 3.97Å; Y107-L110 HydrophobicContact CE1-CD1 4.2Å; Y107-L110 HydrophobicContact CG-CD1 4.48Å; Y107-L110 WeakPolarHBondContact O-CA 3.27Å; Y107-L110 WeakPolarHBondContact O-CB 3.3Å; Y107-L110 PolarHBondContact O-N 3.22Å; Y107-Y111 WeakPolarHBondContact O-CD2 2.74Å; Y107-Y111 PolarHBondContact O-N 3.38Å
108A93.9Very high94.6Very high24 Ų2475.5 Ų75.520%0.19837%0.373CS..Hα-helixtrans-55.2-40.7171.700000111.7E104 L110 Y111 Q112 F208E104-A108 VanDerWaalsContact O-CB 3.28Å; E104-A108 WeakPolarHBondContact O-CB 3.33Å; E104-A108 PolarHBondContact O-N 3.43Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 2.61Å; A108-Y111 PolarHBondContact O-N 3.28Å; A108-Q112 WeakPolarHBondContact O-CB 3.38Å; A108-Q112 PolarHBondContact O-N 2.9Å; A108-F208 HydrophobicContact CB-CD2 3.69Å; A108-F208 HydrophobicContact CB-CE2 3.53Å
109A94.2Very high94.9Very high69 Ų6972.6 Ų72.657%0.5736%0.362SS*.Hα-helixtrans-64.6-27.4174.900000113.6R105 Y107 P113R105-A109 PolarHBondContact O-N 2.61Å; Y107-A109 PolarHBondContact O-N 3.03Å; A109-P113 WeakPolarHBondContact O-CD 3.25Å
110L96.2Very high95Very high108 Ų10870.6 Ų70.657%0.56535%0.353SS*.Hα-helixtrans-79.7-33.2175.3-60177.5000112.1Y107 A108 P113Y107-L110 HydrophobicContact CD1-CD1 3.97Å; Y107-L110 HydrophobicContact CE1-CD1 4.2Å; Y107-L110 HydrophobicContact CG-CD1 4.48Å; Y107-L110 WeakPolarHBondContact O-CA 3.27Å; Y107-L110 WeakPolarHBondContact O-CB 3.3Å; Y107-L110 PolarHBondContact O-N 3.22Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 2.61Å; L110-P113 WeakPolarHBondContact O-CD 3.24Å
111Y95.3Very high95.2Very high121 Ų12170.9 Ų70.948%0.47535%0.352SS..Hα-helixtrans-76.7-28.3175.1-65.6-54.5000113Y107 A108 L114 F115Y107-Y111 WeakPolarHBondContact O-CD2 2.74Å; Y107-Y111 PolarHBondContact O-N 3.38Å; A108-Y111 PolarHBondContact O-N 3.28Å; Y111-L114 HydrophobicContact CD1-CD1 4.36Å; Y111-L114 WeakPolarHBondContact O-CA 3.43Å; Y111-L114 WeakPolarHBondContact O-CB 3.33Å; Y111-L114 PolarHBondContact O-N 2.84Å; Y111-F115 HydrophobicContact CG-CZ 4.36Å; Y111-F115 PolarHBondContact O-N 2.9Å
112Q95.3Very high95.4Very high55 Ų5571.1 Ų71.126%0.25735%0.354SS..Hα-helixtrans-52-46.6-174.6-169.963.553.600113.8A108 L114 F115 D116A108-Q112 WeakPolarHBondContact O-CB 3.38Å; A108-Q112 PolarHBondContact O-N 2.9Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 3.24Å; Q112-F115 PolarHBondContact O-N 3.33Å; Q112-D116 PolarHBondContact NE2-OD1 2.92Å; Q112-D116 WeakPolarHBondContact O-CB 3.41Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 3.31Å
113P97.3Very high95.5Very high81 Ų8168.1 Ų68.153%0.52634%0.344SS..Hα-helixtrans-63.4-30.7177-21.734.5000113.7A109 L110 K117A109-P113 WeakPolarHBondContact O-CD 3.25Å; L110-P113 WeakPolarHBondContact O-CD 3.24Å; P113-K117 WeakPolarHBondContact O-CB 3.25Å; P113-K117 PolarHBondContact O-N 3.02Å
114L96.8Very high95.5Very high113 Ų11365.7 Ų65.759%0.59234%0.336SS*.Hα-helixtrans-71.3-42.2176.6-57.5176.9000110.7Y111 Q112 K117 R118Y111-L114 HydrophobicContact CD1-CD1 4.36Å; Y111-L114 WeakPolarHBondContact O-CA 3.43Å; Y111-L114 WeakPolarHBondContact O-CB 3.33Å; Y111-L114 PolarHBondContact O-N 2.84Å; Q112-L114 VanDerWaalsContact C-N 3.27Å; Q112-L114 PolarHBondContact O-N 3.24Å; L114-K117 PolarHBondContact O-N 3.41Å; L114-R118 PolarHBondContact O-N 2.9Å
115F97.4Very high95.5Very high41 Ų4166.7 Ų66.718%0.1835%0.354CS..Hα-helixtrans-70-36.9176.5-61.8-22.1000112.5Y111 Q112 R118 S119 V342 P343Y111-F115 HydrophobicContact CG-CZ 4.36Å; Y111-F115 PolarHBondContact O-N 2.9Å; Q112-F115 PolarHBondContact O-N 3.33Å; F115-R118 WeakPolarHBondContact O-CB 3.4Å; F115-R118 PolarHBondContact O-N 2.94Å; F115-S119 PolarHBondContact O-N 3.33Å; F115-V342 HydrophobicContact CD2-CG1 4.4Å; F115-V342 HydrophobicContact CE2-CG1 4.19Å; F115-P343 HydrophobicContact CZ-CB 4.45Å
116D97.1Very high95.5Very high52 Ų5268 Ų6828%0.27836%0.36SS..Hα-helixtrans-62.5-45.3172.6-69.3-25.8000110.3Q112 R118 S119 E120 K205Q112-D116 PolarHBondContact NE2-OD1 2.92Å; Q112-D116 WeakPolarHBondContact O-CB 3.41Å; Q112-D116 VanDerWaalsContact O-CG 3.23Å; Q112-D116 PolarHBondContact O-N 3.31Å; D116-R118 PolarHBondContact O-N 3.02Å; D116-S119 WeakPolarHBondContact O-CB 3.42Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 VanDerWaalsContact O-N 3.14Å; D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.94Å; D116-K205 IonicContact OD1-NZ 2.67Å; D116-K205 PolarHBondContact OD1-NZ 3.5Å
117K96.6Very high95.4Very high79 Ų7968.8 Ų68.834%0.34337%0.366SS..Hα-helixtrans-62.5-40.1174.8-170173-176179.90112.7P113 L114 S119 E120 I121 E132P113-K117 WeakPolarHBondContact O-CB 3.25Å; P113-K117 PolarHBondContact O-N 3.02Å; L114-K117 PolarHBondContact O-N 3.41Å; K117-S119 VanDerWaalsContact C-N 3.32Å; K117-S119 PolarHBondContact O-N 2.73Å; K117-E120 PolarHBondContact O-N 2.82Å; K117-I121 HydrophobicContact CG-CD1 4.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.06Å; K117-E132 IonicContact NZ-OE1 3.19Å; K117-E132 PolarHBondContact NZ-OE1 3.39Å
118R97.3Very high95.2Very high36 Ų3665.4 Ų65.414%0.13636%0.356CS..Hα-helixtrans-56.5-47.3171.9177.2-16568-163.61.2110.7L114 F115 D116 E120 I121 V122 D203 V342L114-R118 PolarHBondContact O-N 2.9Å; F115-R118 WeakPolarHBondContact O-CB 3.4Å; F115-R118 PolarHBondContact O-N 2.94Å; D116-R118 PolarHBondContact O-N 3.02Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.29Å; R118-I121 PolarHBondContact O-N 3.43Å; R118-V122 HydrophobicContact CG-CG2 4.22Å; R118-V122 WeakPolarHBondContact O-CB 3.29Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.96Å; R118-D203 IonicContact CZ-OD1 2.61Å; R118-D203 IonicContact NH2-OD1 2.9Å; R118-D203 PolarHBondContact NH2-OD1 3.3Å; R118-V342 PolarHBondContact NH1-O 3.13Å
119S96.7Very high95Very high20 Ų2067.3 Ų67.314%0.1437%0.366CS..Hα-helixtrans-61-41.3178.2-177.80000111.8F115 D116 K117 I121 V122 T123F115-S119 PolarHBondContact O-N 3.33Å; D116-S119 WeakPolarHBondContact O-CB 3.42Å; D116-S119 PolarHBondContact O-N 2.9Å; D116-S119 VanDerWaalsContact O-N 3.14Å; K117-S119 VanDerWaalsContact C-N 3.32Å; K117-S119 PolarHBondContact O-N 2.73Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.03Å; S119-V122 PolarHBondContact O-N 3.1Å; S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 WeakPolarHBondContact O-CG2 3.44Å; S119-T123 PolarHBondContact O-N 2.65Å; S119-T123 PolarHBondContact O-OG1 3.13Å
120E96.4Very high94.8Very high93 Ų9370.8 Ų70.844%0.43538%0.375SS..Hα-helixtrans-61.6-39.3175.8-69.4175.9-177.700112.5D116 K117 R118 T123 A124 A125 Y126D116-E120 WeakPolarHBondContact O-CG 3.49Å; D116-E120 PolarHBondContact O-N 2.94Å; K117-E120 PolarHBondContact O-N 2.82Å; R118-E120 VanDerWaalsContact C-N 3.32Å; R118-E120 PolarHBondContact O-N 3.29Å; E120-T123 PolarHBondContact O-OG1 3.19Å; E120-A124 CarbonylContact O-C 3.49Å; E120-A124 PolarHBondContact O-N 3.23Å; E120-A125 HydrophobicContact CB-CB 4.17Å; E120-A125 HydrophobicContact CG-CB 4.35Å; E120-A125 PolarHBondContact O-N 2.83Å; E120-Y126 PolarHBondContact O-N 2.8Å; E120-Y126 VanDerWaalsContact O-N 3.07Å
121I95.9Very high94.3Very high51 Ų5173 Ų7326%0.26238%0.382SS..Hα-helixtrans-68.4-50.7175.3-66.1167.5000110.8K117 R118 S119 T123 A124 Y126 P128 I172K117-I121 HydrophobicContact CG-CD1 4.32Å; K117-I121 WeakPolarHBondContact O-CG1 3.45Å; K117-I121 PolarHBondContact O-N 3.06Å; R118-I121 PolarHBondContact O-N 3.43Å; S119-I121 VanDerWaalsContact C-N 3.33Å; S119-I121 PolarHBondContact O-N 3.03Å; I121-T123 PolarHBondContact O-N 3.46Å; I121-A124 PolarHBondContact O-N 2.81Å; I121-Y126 HydrophobicContact CD1-CD1 4.39Å; I121-Y126 HydrophobicContact CG1-CD1 3.81Å; I121-P128 HydrophobicContact CD1-CG 4.09Å; I121-P128 HydrophobicContact CG1-CG 4Å; I121-P128 HydrophobicContact CG2-CG 3.96Å; I121-I172 HydrophobicContact CG2-CD1 4.42Å
122V95.5Very high94Very high12 Ų1271.2 Ų71.27%0.07338%0.378CS..Hα-helixtrans-57.4-35.2-179168.80000111.4R118 S119 G171 I172 F175R118-V122 HydrophobicContact CG-CG2 4.22Å; R118-V122 WeakPolarHBondContact O-CB 3.29Å; R118-V122 VanDerWaalsContact O-CG2 3.28Å; R118-V122 WeakPolarHBondContact O-CG2 3.48Å; R118-V122 PolarHBondContact O-N 2.96Å; S119-V122 PolarHBondContact O-N 3.1Å; V122-G171 CarbonylContact O-C 3.59Å; V122-G171 VanDerWaalsContact O-CA 3.3Å; V122-G171 WeakPolarHBondContact O-CA 3.37Å; V122-I172 HydrophobicContact CG2-CD1 4.24Å; V122-I172 PolarHBondContact O-N 2.71Å; V122-F175 HydrophobicContact CG1-CB 3.67Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG1-CG 3.92Å; V122-F175 HydrophobicContact CG2-CB 4.48Å; V122-F175 HydrophobicContact CG2-CD1 3.91Å; V122-F175 HydrophobicContact CG2-CD2 4.08Å; V122-F175 HydrophobicContact CG2-CE1 4.14Å; V122-F175 HydrophobicContact CG2-CE2 4.3Å; V122-F175 HydrophobicContact CG2-CG 3.88Å; V122-F175 HydrophobicContact CG2-CZ 4.33Å
123T94.2Very high93.6Very high48 Ų4872.9 Ų72.929%0.29440%0.395SS..THydrogen-bonded Turntrans-92.70.1-179.958.30000114.5S119 E120 I121 A125 Q202S119-T123 WeakPolarHBondContact O-CB 3.33Å; S119-T123 WeakPolarHBondContact O-CG2 3.44Å; S119-T123 PolarHBondContact O-N 2.65Å; S119-T123 PolarHBondContact O-OG1 3.13Å; E120-T123 PolarHBondContact O-OG1 3.19Å; I121-T123 PolarHBondContact O-N 3.46Å; T123-A125 PolarHBondContact O-N 3.27Å; T123-Q202 HydrophobicContact CG2-CB 3.89Å; T123-Q202 HydrophobicContact CG2-CG 4.1Å
124A93.7Very high93.1Very high39 Ų3975.1 Ų75.132%0.32240%0.398SS..THydrogen-bonded Turntrans52.434.3-169.300000114.7E120 I121 Y126 G171E120-A124 CarbonylContact O-C 3.49Å; E120-A124 PolarHBondContact O-N 3.23Å; I121-A124 PolarHBondContact O-N 2.81Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; A124-G171 VanDerWaalsContact CB-CA 3.41Å
125A92.5Very high92.2Very high78 Ų7880.4 Ų80.465%0.64541%0.41SS*.SBendtrans-74.4-27.1162.300000111.5E120 T123E120-A125 HydrophobicContact CB-CB 4.17Å; E120-A125 HydrophobicContact CG-CB 4.35Å; E120-A125 PolarHBondContact O-N 2.83Å; T123-A125 PolarHBondContact O-N 3.27Å
126Y92.5Very high91.3Very high70 Ų7085.4 Ų85.428%0.27543%0.432SS..SBendtrans-130.3131.5174.7177.1-102.3000110.2E120 I121 A124 E132E120-Y126 PolarHBondContact O-N 2.8Å; E120-Y126 VanDerWaalsContact O-N 3.07Å; I121-Y126 HydrophobicContact CD1-CD1 4.39Å; I121-Y126 HydrophobicContact CG1-CD1 3.81Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; Y126-E132 VanDerWaalsContact CE1-OE2 3.29Å; Y126-E132 WeakPolarHBondContact CE1-OE2 3.28Å; Y126-E132 VanDerWaalsContact OH-CD 3.26Å; Y126-E132 PolarHBondContact OH-OE1 3.01Å; Y126-E132 PolarHBondContact OH-OE2 2.94Å
127E92.3Very high89.4Confident149 Ų14986 Ų8670%0.69644%0.437SS*.PPolyproline II helixtrans-97.4120.5172.9-166.266.4-146.900108.5
128P92.7Very high87.3Confident34 Ų3490.4 Ų90.422%0.22147%0.465CS..PPolyproline II helixtrans-58.3147.2177.8-24.734.6000113I121 E132I121-P128 HydrophobicContact CD1-CG 4.09Å; I121-P128 HydrophobicContact CG1-CG 4Å; I121-P128 HydrophobicContact CG2-CG 3.96Å; P128-E132 WeakPolarHBondContact CA-OE2 3.44Å; P128-E132 HydrophobicContact CB-CB 4.36Å
129T90.4Very high85Confident65 Ų6593.8 Ų93.840%0.39948%0.482SS..PPolyproline II helixtrans-79.1159.3170.267.20000111E131 E132 C133T129-E131 PolarHBondContact O-N 3.06Å; T129-E132 PolarHBondContact N-OE2 3.29Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 WeakPolarHBondContact OG1-CG 3.4Å; T129-E132 PolarHBondContact OG1-N 3.31Å; T129-C133 PolarHBondContact O-N 2.96Å; T129-C133 VanDerWaalsContact O-N 3.15Å
130D88Confident82.6Confident141 Ų14199.2 Ų99.275%0.75451%0.506SS*.Hα-helixtrans-53.3-40.1176.3-63.4-20000111.9E132 C133 E134D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.24Å; D130-C133 PolarHBondContact O-N 3.41Å; D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å
131E87Confident80.4Confident154 Ų154104.2 Ų104.272%0.7253%0.529SS*.Hα-helixtrans-64.9-29.5177.4-63.2-178.2-178.300113.4T129T129-E131 PolarHBondContact O-N 3.06Å
132E88.1Confident78.1Confident85 Ų85110 Ų11040%0.39756%0.555SS.*Hα-helixtrans-80.5-24.4177.4-70174.914500112.4K117 Y126 P128 T129 D130K117-E132 IonicContact NZ-OE1 3.19Å; K117-E132 PolarHBondContact NZ-OE1 3.39Å; Y126-E132 VanDerWaalsContact CE1-OE2 3.29Å; Y126-E132 WeakPolarHBondContact CE1-OE2 3.28Å; Y126-E132 VanDerWaalsContact OH-CD 3.26Å; Y126-E132 PolarHBondContact OH-OE1 3.01Å; Y126-E132 PolarHBondContact OH-OE2 2.94Å; P128-E132 WeakPolarHBondContact CA-OE2 3.44Å; P128-E132 HydrophobicContact CB-CB 4.36Å; T129-E132 PolarHBondContact N-OE2 3.29Å; T129-E132 WeakPolarHBondContact O-CB 3.37Å; T129-E132 PolarHBondContact O-N 2.95Å; T129-E132 WeakPolarHBondContact OG1-CG 3.4Å; T129-E132 PolarHBondContact OG1-N 3.31Å; D130-E132 VanDerWaalsContact C-N 3.3Å; D130-E132 PolarHBondContact O-N 3.24Å
133C87.3Confident75.7Confident90 Ų90113.2 Ų113.261%0.60857%0.571SS**Hα-helixtrans-82.6-19.4174.8-67.30000112.8T129 D130 W135T129-C133 PolarHBondContact O-N 2.96Å; T129-C133 VanDerWaalsContact O-N 3.15Å; D130-C133 PolarHBondContact O-N 3.41Å; C133-W135 PolarHBondContact O-N 3.26Å
134E87.1Confident73.5Confident128 Ų128117.2 Ų117.260%0.59860%0.596SS**SBendtrans-72.4107.1175.3-77.4-178.6178.700110.5D130 K136D130-E134 PolarHBondContact O-N 3.28Å; D130-E134 VanDerWaalsContact O-N 3.16Å; E134-K136 PolarHBondContact O-N 3.21Å
135W78.7Confident71.4Confident223 Ų223121.2 Ų121.285%0.84562%0.616SS**  trans-67.2112.3170.4-175-98.8000109.9C133 T137C133-W135 PolarHBondContact O-N 3.26Å; W135-T137 PolarHBondContact O-N 3.44Å
136K76.4Confident69.5Low147 Ų147120.5 Ų120.564%0.63961%0.606SS**  trans-88.795.9173.8-60.6-168.2-178.4-179.20108.4E134E134-K136 PolarHBondContact O-N 3.21Å
137T57.6Low67.6Low63 Ų63123.1 Ų123.139%0.38762%0.619SS.*  trans-67.6140.816136.10000108.5W135 E139 E140W135-T137 PolarHBondContact O-N 3.44Å; T137-E139 PolarHBondContact O-N 2.95Å; T137-E140 PolarHBondContact O-N 3.41Å
138D53.1Low65.4Low172 Ų172123.6 Ų123.692%0.9262%0.621SS**G310 helixtrans-60-0.6170.7-71.3-36.3000112.8
139E48Very low63.3Low107 Ų107127.9 Ų127.950%0.564%0.642SS.*G310 helixtrans-84.14.7176.1-61.5-173.6156.900114.9T137 E141 E142 L143T137-E139 PolarHBondContact O-N 2.95Å; E139-E141 PolarHBondContact O-N 3.31Å; E139-E141 VanDerWaalsContact O-N 3.09Å; E139-E142 PolarHBondContact O-N 2.88Å; E139-L143 HydrophobicContact CB-CD1 4.14Å; E139-L143 PolarHBondContact O-N 2.91Å; E139-L143 VanDerWaalsContact OE2-CD1 3.24Å; E139-L143 WeakPolarHBondContact OE2-CD1 3.28Å
140E47Very low61.5Low135 Ų135131.1 Ų131.163%0.63165%0.653SS**G310 helixtrans-65.2-4.3170.9-71.9-146.9123.400113.7T137 K147T137-E140 PolarHBondContact O-N 3.41Å; E140-K147 IonicContact OE1-NZ 3.62Å
141E50.3Low59.9Low198 Ų198131.5 Ų131.593%0.92565%0.652SS**G310 helixtrans-91.3-10.1164.6-72.9-161.7160.500115.1E139E139-E141 PolarHBondContact O-N 3.31Å; E139-E141 VanDerWaalsContact O-N 3.09Å
142E47.3Very low58Low172 Ų172130.7 Ų130.780%0.80465%0.646SS**THydrogen-bonded Turntrans-126.5-16.5-173.3-153.1164.9-165.900116.8E139E139-E142 PolarHBondContact O-N 2.88Å
143L45.1Very low56.2Low79 Ų79133.1 Ų133.141%0.41466%0.657SS.*  trans-114.463.2-172.5-89144000115.3E139 V145E139-L143 HydrophobicContact CB-CD1 4.14Å; E139-L143 PolarHBondContact O-N 2.91Å; E139-L143 VanDerWaalsContact OE2-CD1 3.24Å; E139-L143 WeakPolarHBondContact OE2-CD1 3.28Å; L143-V145 PolarHBondContact O-N 3.41Å
144T48.8Very low54.6Low133 Ų133136.1 Ų136.182%0.81666%0.66SS**SBendtrans-76.97.1165.4520000114.7
145V49.8Very low52.6Low123 Ų123132.7 Ų132.775%0.74565%0.654SS**SBendtrans-106.2-22.5-170.8-1760000114.5L143L143-V145 PolarHBondContact O-N 3.41Å
146S51.5Low51Low62 Ų62129.6 Ų129.643%0.43465%0.646SS.*SBendtrans-95.2-9.2-175.5-51.50000115.3Q148 D149S146-Q148 PolarHBondContact O-N 3.41Å; S146-D149 PolarHBondContact O-N 3.2Å
147K52.4Low49.6Very low126 Ų126127.1 Ų127.155%0.54864%0.639SS.*Hα-helixtrans-65.6-7.2-175.8-72.5-176.4175.6178.50115.2E140E140-K147 IonicContact OE1-NZ 3.62Å
148Q47.2Very low49Very low158 Ų158131.6 Ų131.674%0.73866%0.656SS**Hα-helixtrans-91.3-24.6179.3-81.2-173.9-0.100114.9S146S146-Q148 PolarHBondContact O-N 3.41Å
149D49.3Very low48.5Very low124 Ų124131.7 Ų131.766%0.66365%0.651SS**Hα-helixtrans-88.7-37.5179.3-75.4-35000111.5S146 M151 K152 E153S146-D149 PolarHBondContact O-N 3.2Å; D149-M151 PolarHBondContact O-N 2.96Å; D149-K152 PolarHBondContact O-N 3.01Å; D149-E153 PolarHBondContact O-N 3.4Å
150E52.2Low48.3Very low134 Ų134135 Ų13563%0.62667%0.666SS**Hα-helixtrans-66.4-35.9175.2-65.4-174.5138.800113.4K152 E153 K154E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.49Å; E150-E153 PolarHBondContact O-N 3.13Å; E150-K154 PolarHBondContact O-N 3.24Å
151M53.2Low48.2Very low148 Ų148136.8 Ų136.873%0.72967%0.672SS**Hα-helixtrans-67.4-28.1175.8-98.2-172.7173.200112.8D149 A155D149-M151 PolarHBondContact O-N 2.96Å; M151-A155 WeakPolarHBondContact O-CB 3.48Å; M151-A155 PolarHBondContact O-N 3.16Å
152K47.7Very low47.9Very low138 Ų138136.2 Ų136.260%0.667%0.666SS**Hα-helixtrans-80.3-28.8177.5-84.1177.4179.8166.50112.7D149 E150 K156D149-K152 PolarHBondContact O-N 3.01Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.49Å; K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.43Å
153E50.3Low47.8Very low136 Ų136135.6 Ų135.664%0.63667%0.668SS**Hα-helixtrans-75.3-44.8172.4-110.5-156.8143.800112.1D149 E150 A155 K156 L157D149-E153 PolarHBondContact O-N 3.4Å; E150-E153 PolarHBondContact O-N 3.13Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.03Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact O-N 3.11Å; E153-L157 PolarHBondContact O-N 3.38Å
154K53Low47.7Very low153 Ų153138.1 Ų138.167%0.66568%0.678SS**Hα-helixtrans-57.3-42.3173.8-87-176.8172.9177.40112.2E150 K156 L157 E158E150-K154 PolarHBondContact O-N 3.24Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 2.95Å; K154-L157 PolarHBondContact O-N 3.19Å; K154-E158 WeakPolarHBondContact O-CG 3.16Å; K154-E158 PolarHBondContact O-N 2.94Å
155A45Very low47.7Very low56 Ų56141.7 Ų141.746%0.46369%0.686SS.*Hα-helixtrans-68.1-27.9178.100000113.9M151 E153M151-A155 WeakPolarHBondContact O-CB 3.48Å; M151-A155 PolarHBondContact O-N 3.16Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.03Å
156K46.6Very low47.7Very low158 Ų158142.6 Ų142.669%0.68768%0.68SS**Hα-helixtrans-79.3-36.3175.1-80.4-178.8176-1770112.5K152 E153 K154K152-K156 WeakPolarHBondContact O-CG 3.47Å; K152-K156 PolarHBondContact O-N 3.43Å; E153-K156 PolarHBondContact O-N 3.01Å; E153-K156 VanDerWaalsContact O-N 3.11Å; K154-K156 VanDerWaalsContact C-N 3.33Å; K154-K156 PolarHBondContact O-N 2.95Å
157L47Very low47.8Very low95 Ų95148.4 Ų148.450%0.49770%0.7SS.*Hα-helixtrans-69.7-32176.2-81.7155.4000112.6E153 K154 K161E153-L157 PolarHBondContact O-N 3.38Å; K154-L157 PolarHBondContact O-N 3.19Å; L157-K161 PolarHBondContact O-N 3.45Å
158E44.9Very low48.1Very low156 Ų156150.1 Ų150.173%0.72972%0.715SS**Hα-helixtrans-74.7-28.8177.5-77.2-172.6168.600114.1K154K154-E158 WeakPolarHBondContact O-CG 3.16Å; K154-E158 PolarHBondContact O-N 2.94Å
159E42.4Very low49.4Very low175 Ų175146.9 Ų146.982%0.81871%0.708SS**Hα-helixtrans-77.5-24.4174.1-83.8-163.214800113.2
160E43.9Very low51Low175 Ų175150 Ų15082%0.81872%0.716SS**Hα-helixtrans-89.6-17.7178.8-75-169.3156.900114.7K162E160-K162 PolarHBondContact O-N 3.16Å
161K44.7Very low52.8Low173 Ų173144.6 Ų144.675%0.75270%0.696SS**  trans-98.135.9178.7-78.1-168.2178.2179.70114.8L157 D163L157-K161 PolarHBondContact O-N 3.45Å; K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 3.2Å
162K44.4Very low54.7Low187 Ų187140.4 Ų140.481%0.81368%0.675SS**SBendtrans-93.442.9170.8-135.1-176.2-165.3176.60112.4E160E160-K162 PolarHBondContact O-N 3.16Å
163D43.7Very low56.8Low158 Ų158137.7 Ų137.785%0.84567%0.672SS**SBendtrans-169.260.4170.1-105.2-27.3000111.9K161K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 3.2Å
164E43.6Very low59Low132 Ų132134.8 Ų134.862%0.61766%0.658SS**  trans-146.787.5153.4-71.5-161.6152.400109.1K166E164-K166 HydrophobicContact CB-CD 4.33Å; E164-K166 HydrophobicContact CB-CG 4.12Å; E164-K166 HydrophobicContact CG-CD 4.48Å; E164-K166 PolarHBondContact O-N 3.23Å; E164-K166 WeakPolarHBondContact OE1-CE 3.5Å; E164-K166 IonicContact OE1-NZ 3.81Å; E164-K166 PolarHBondContact OE1-NZ 3.15Å; E164-K166 VanDerWaalsContact OE2-CD 3.25Å; E164-K166 WeakPolarHBondContact OE2-CD 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.35Å; E164-K166 IonicContact OE2-NZ 2.79Å; E164-K166 PolarHBondContact OE2-NZ 3.09Å
165E49.9Very low61.1Low209 Ų209127.9 Ų127.998%0.97763%0.628SS**  trans-61.582.1149.3-83-175.3153.100107.1
166K48.9Very low63.6Low142 Ų142125.3 Ų125.362%0.61761%0.607SS**  trans-107.2122167-81.2-176.7-174.8161.30107.4E164 N168E164-K166 HydrophobicContact CB-CD 4.33Å; E164-K166 HydrophobicContact CB-CG 4.12Å; E164-K166 HydrophobicContact CG-CD 4.48Å; E164-K166 PolarHBondContact O-N 3.23Å; E164-K166 WeakPolarHBondContact OE1-CE 3.5Å; E164-K166 IonicContact OE1-NZ 3.81Å; E164-K166 PolarHBondContact OE1-NZ 3.15Å; E164-K166 VanDerWaalsContact OE2-CD 3.25Å; E164-K166 WeakPolarHBondContact OE2-CD 3.42Å; E164-K166 WeakPolarHBondContact OE2-CE 3.35Å; E164-K166 IonicContact OE2-NZ 2.79Å; E164-K166 PolarHBondContact OE2-NZ 3.09Å; K166-N168 PolarHBondContact O-N 3.11Å
167E52.8Low66Low183 Ų183117.9 Ų117.986%0.85557%0.574SS**  trans-11.2120.6175.8-64.5-179.3138.400114.1P169E167-P169 WeakPolarHBondContact O-CD 3.46Å
168N60.2Low68.4Low162 Ų162115.2 Ų115.287%0.86656%0.562SS**  trans-56.7103163.8-77.9-20.7000107.6K166 K170K166-N168 PolarHBondContact O-N 3.11Å; N168-K170 PolarHBondContact O-N 3.33Å
169P74.2Confident70.9Confident91 Ų91107.8 Ų107.859%0.59153%0.527SS*.  trans-67.2137.8179.529.8-29000107.4E167 G171 P173E167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-G171 PolarHBondContact O-N 3.23Å; P169-P173 HydrophobicContact CB-CG 4.05Å
170K82.1Confident73.5Confident190 Ų19099.4 Ų99.483%0.82649%0.488SS*.SBendtrans-79.1113.1174.6-71.3-173.9179.5-177.10108.7N168N168-K170 PolarHBondContact O-N 3.33Å
171G90.2Very high75.9Confident20 Ų2094.8 Ų94.821%0.20647%0.465CS..SBendtrans74.5-149.7174.700000111.6V122 A124 P169 P173V122-G171 CarbonylContact O-C 3.59Å; V122-G171 VanDerWaalsContact O-CA 3.3Å; V122-G171 WeakPolarHBondContact O-CA 3.37Å; A124-G171 VanDerWaalsContact CB-CA 3.41Å; P169-G171 PolarHBondContact O-N 3.23Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å
172I93.6Very high78.3Confident59 Ų5988.8 Ų88.830%0.30344%0.442SS..SBendtrans-107.698.3175-55174.7000107.2I121 V122 E174 F175 F349I121-I172 HydrophobicContact CG2-CD1 4.42Å; V122-I172 HydrophobicContact CG2-CD1 4.24Å; V122-I172 PolarHBondContact O-N 2.71Å; I172-E174 PolarHBondContact O-N 2.98Å; I172-F175 HydrophobicContact CB-CB 4.32Å; I172-F175 HydrophobicContact CB-CD2 4.44Å; I172-F175 HydrophobicContact CD1-CD2 4.46Å; I172-F175 HydrophobicContact CG2-CB 4.09Å; I172-F175 HydrophobicContact CG2-CD2 3.95Å; I172-F175 PolarHBondContact O-N 2.97Å; I172-F349 HydrophobicContact CG2-CE1 4.2Å; I172-F349 HydrophobicContact CG2-CE2 3.96Å; I172-F349 HydrophobicContact CG2-CZ 3.58Å
173P92.1Very high80.6Confident81 Ų8180.2 Ų80.253%0.52641%0.405SS..THydrogen-bonded Turntrans-58.1140.6-177.9-23.734.4000111.4P169 G171 F175P169-P173 HydrophobicContact CB-CG 4.05Å; G171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-F175 PolarHBondContact O-N 3.37Å
174E94.7Very high82.8Confident76 Ų7677.7 Ų77.736%0.35539%0.391SS..THydrogen-bonded Turntrans59.418.1172.4-49.9-169.6176.700114.3I172 W176 L177 T178 K199I172-E174 PolarHBondContact O-N 2.98Å; E174-W176 PolarHBondContact O-N 3.24Å; E174-L177 HydrophobicContact CB-CB 4.2Å; E174-L177 HydrophobicContact CB-CD2 4.38Å; E174-L177 CarbonylContact O-C 3.57Å; E174-L177 WeakPolarHBondContact O-CA 3.16Å; E174-L177 WeakPolarHBondContact O-CB 3.19Å; E174-L177 PolarHBondContact O-N 3.24Å; E174-T178 PolarHBondContact O-N 3.21Å; E174-T178 PolarHBondContact O-OG1 3.05Å; E174-T178 VanDerWaalsContact O-OG1 3.1Å; E174-K199 HydrophobicContact CG-CG 4.16Å; E174-K199 WeakPolarHBondContact OE1-CD 3.46Å; E174-K199 VanDerWaalsContact OE1-CE 3.25Å; E174-K199 WeakPolarHBondContact OE1-CE 3.41Å; E174-K199 IonicContact OE1-NZ 2.83Å; E174-K199 PolarHBondContact OE1-NZ 3.45Å; E174-K199 IonicContact OE2-NZ 3.14Å
175F97.7Very high85.1Confident8 Ų874 Ų744%0.03538%0.376CS..Hα-helixtrans-45.2-57.8-175.5179.9-97000113.5V122 I172 P173 T178 V179 A345 F349V122-F175 HydrophobicContact CG1-CB 3.67Å; V122-F175 HydrophobicContact CG1-CD1 4.06Å; V122-F175 HydrophobicContact CG1-CG 3.92Å; V122-F175 HydrophobicContact CG2-CB 4.48Å; V122-F175 HydrophobicContact CG2-CD1 3.91Å; V122-F175 HydrophobicContact CG2-CD2 4.08Å; V122-F175 HydrophobicContact CG2-CE1 4.14Å; V122-F175 HydrophobicContact CG2-CE2 4.3Å; V122-F175 HydrophobicContact CG2-CG 3.88Å; V122-F175 HydrophobicContact CG2-CZ 4.33Å; I172-F175 HydrophobicContact CB-CB 4.32Å; I172-F175 HydrophobicContact CB-CD2 4.44Å; I172-F175 HydrophobicContact CD1-CD2 4.46Å; I172-F175 HydrophobicContact CG2-CB 4.09Å; I172-F175 HydrophobicContact CG2-CD2 3.95Å; I172-F175 PolarHBondContact O-N 2.97Å; P173-F175 PolarHBondContact O-N 3.37Å; F175-T178 PolarHBondContact O-N 3.47Å; F175-V179 HydrophobicContact CE1-CG2 4.41Å; F175-V179 WeakPolarHBondContact O-CG2 3.25Å; F175-V179 PolarHBondContact O-N 2.98Å; F175-A345 HydrophobicContact CE1-CB 3.95Å; F175-A345 HydrophobicContact CZ-CB 4.01Å; F175-F349 HydrophobicContact CB-CD2 4.43Å; F175-F349 HydrophobicContact CB-CE2 4.44Å; F175-F349 HydrophobicContact CD2-CB 4.09Å; F175-F349 HydrophobicContact CD2-CD1 4.22Å; F175-F349 AromaticContact CD2-CD2 3.47Å; F175-F349 HydrophobicContact CD2-CD2 3.47Å; F175-F349 VanDerWaalsContact CD2-CD2 3.47Å; F175-F349 AromaticContact CD2-CE2 3.91Å; F175-F349 HydrophobicContact CD2-CE2 3.91Å; F175-F349 AromaticContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CZ 4.45Å; F175-F349 HydrophobicContact CE2-CB 3.65Å; F175-F349 HydrophobicContact CE2-CD1 4.16Å; F175-F349 AromaticContact CE2-CD2 3.95Å; F175-F349 HydrophobicContact CE2-CD2 3.95Å; F175-F349 AromaticContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CG-CD2 4.14Å; F175-F349 HydrophobicContact CZ-CB 4.23Å; F175-F349 WeakPolarHBondContact O-CD2 3.49Å
176W98Very high87.2Confident2 Ų264.1 Ų64.11%0.00833%0.329CS..Hα-helixtrans-71.8-30.2179.7-67.5105.1000113.7E174 V179 F180 L201 Q202 D203 I204 I341 A345E174-W176 PolarHBondContact O-N 3.24Å; W176-V179 HydrophobicContact CE3-CB 4.48Å; W176-V179 HydrophobicContact CE3-CG1 4.38Å; W176-V179 PolarHBondContact O-N 3.04Å; W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.45Å; W176-L201 HydrophobicContact CB-CB 4.4Å; W176-L201 HydrophobicContact CB-CD2 3.66Å; W176-L201 HydrophobicContact CB-CG 3.96Å; W176-L201 HydrophobicContact CG-CD2 4.15Å; W176-L201 HydrophobicContact CG-CG 4.14Å; W176-Q202 PolarHBondContact NE1-O 3.26Å; W176-D203 WeakPolarHBondContact CZ2-OD1 3.48Å; W176-D203 VanDerWaalsContact NE1-CA 3.33Å; W176-I204 HydrophobicContact CD2-CD1 4.01Å; W176-I204 HydrophobicContact CD2-CG1 3.96Å; W176-I204 HydrophobicContact CE3-CB 4.48Å; W176-I204 HydrophobicContact CE3-CD1 3.54Å; W176-I204 HydrophobicContact CE3-CG1 3.92Å; W176-I204 HydrophobicContact CH2-CB 4.03Å; W176-I204 HydrophobicContact CH2-CG1 4.33Å; W176-I204 HydrophobicContact CZ2-CB 4.24Å; W176-I204 HydrophobicContact CZ2-CG1 4.39Å; W176-I204 HydrophobicContact CZ3-CB 4.17Å; W176-I204 HydrophobicContact CZ3-CD1 3.84Å; W176-I204 HydrophobicContact CZ3-CG1 4.11Å; W176-I341 HydrophobicContact CZ3-CG2 4.12Å; W176-A345 HydrophobicContact CH2-CB 3.57Å; W176-A345 HydrophobicContact CZ2-CB 4.44Å; W176-A345 HydrophobicContact CZ3-CB 3.62Å
177L97.3Very high89.3Confident1 Ų159.5 Ų59.51%0.00532%0.315CS..Hα-helixtrans-65.6-42.7175.1174.161.2000110.6E174 F180 K181 L190 E195 L198 K199E174-L177 HydrophobicContact CB-CB 4.2Å; E174-L177 HydrophobicContact CB-CD2 4.38Å; E174-L177 CarbonylContact O-C 3.57Å; E174-L177 WeakPolarHBondContact O-CA 3.16Å; E174-L177 WeakPolarHBondContact O-CB 3.19Å; E174-L177 PolarHBondContact O-N 3.24Å; L177-F180 PolarHBondContact O-N 3.05Å; L177-K181 HydrophobicContact CD1-CG 4.48Å; L177-K181 WeakPolarHBondContact O-CG 3.42Å; L177-K181 PolarHBondContact O-N 3.22Å; L177-L190 HydrophobicContact CD1-CD1 3.82Å; L177-E195 HydrophobicContact CD1-CB 4.32Å; L177-E195 HydrophobicContact CD1-CG 4.22Å; L177-E195 HydrophobicContact CD2-CB 4.2Å; L177-L198 HydrophobicContact CB-CB 4.48Å; L177-L198 HydrophobicContact CD1-CB 3.99Å; L177-L198 HydrophobicContact CD1-CD1 4.2Å; L177-K199 HydrophobicContact CD2-CG 3.74Å
178T97.3Very high91.2Very high39 Ų3957.1 Ų57.124%0.23931%0.308CS..Hα-helixtrans-62.2-45.2174.1-53.40000110.7E174 F175 F180 K181 N182 F349E174-T178 PolarHBondContact O-N 3.21Å; E174-T178 PolarHBondContact O-OG1 3.05Å; E174-T178 VanDerWaalsContact O-OG1 3.1Å; F175-T178 PolarHBondContact O-N 3.47Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 3.39Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.12Å; T178-N182 WeakPolarHBondContact O-CB 3.27Å; T178-N182 VanDerWaalsContact O-CG 3.32Å; T178-N182 PolarHBondContact O-N 3.47Å; T178-F349 HydrophobicContact CG2-CD2 3.91Å; T178-F349 HydrophobicContact CG2-CE2 4.04Å
179V97.2Very high92.7Very high0 Ų051.4 Ų51.40%028%0.277CS..Hα-helixtrans-55.1-43.3173.9169.10000111.4F175 W176 N182 V183 I341 A345 F349F175-V179 HydrophobicContact CE1-CG2 4.41Å; F175-V179 WeakPolarHBondContact O-CG2 3.25Å; F175-V179 PolarHBondContact O-N 2.98Å; W176-V179 HydrophobicContact CE3-CB 4.48Å; W176-V179 HydrophobicContact CE3-CG1 4.38Å; W176-V179 PolarHBondContact O-N 3.04Å; V179-N182 PolarHBondContact O-N 3.38Å; V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.05Å; V179-I341 HydrophobicContact CG1-CD1 4.47Å; V179-I341 HydrophobicContact CG1-CG2 3.8Å; V179-A345 VanDerWaalsContact CG2-O 3.28Å; V179-A345 WeakPolarHBondContact CG2-O 3.39Å; V179-F349 HydrophobicContact CG2-CB 3.8Å
180F96.2Very high93.7Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-66.4-37179.1-87.3-127.8000112.6W176 L177 T178 L186 S187 L190 L198 I204 F221 F303W176-F180 WeakPolarHBondContact O-CD2 3.26Å; W176-F180 PolarHBondContact O-N 3.45Å; L177-F180 PolarHBondContact O-N 3.05Å; T178-F180 VanDerWaalsContact C-N 3.26Å; T178-F180 PolarHBondContact O-N 3.39Å; F180-L186 HydrophobicContact CB-CB 4.46Å; F180-L186 HydrophobicContact CD1-CB 4.2Å; F180-L186 HydrophobicContact CD1-CD1 4.33Å; F180-L186 HydrophobicContact CD2-CD1 3.96Å; F180-L186 HydrophobicContact CE1-CD1 4.35Å; F180-L186 HydrophobicContact CE2-CD1 3.98Å; F180-L186 HydrophobicContact CG-CB 4.34Å; F180-L186 HydrophobicContact CG-CD1 4.13Å; F180-L186 HydrophobicContact CZ-CD1 4.17Å; F180-S187 PolarHBondContact O-N 2.79Å; F180-L190 HydrophobicContact CB-CD1 4.1Å; F180-L190 HydrophobicContact CD1-CD1 4.47Å; F180-L198 HydrophobicContact CD1-CD1 4.36Å; F180-I204 HydrophobicContact CE2-CD1 3.61Å; F180-I204 HydrophobicContact CZ-CD1 3.98Å; F180-F221 HydrophobicContact CZ-CE1 4.08Å; F180-F303 HydrophobicContact CD1-CE2 4.44Å; F180-F303 HydrophobicContact CE1-CD2 4.16Å; F180-F303 HydrophobicContact CE1-CE1 4.07Å; F180-F303 AromaticContact CE1-CE2 3.58Å; F180-F303 HydrophobicContact CE1-CE2 3.58Å; F180-F303 AromaticContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CZ-CE2 4.44Å; F180-F303 HydrophobicContact CZ-CZ 4.13Å
181K95.3Very high94.4Very high77 Ų7741.7 Ų41.734%0.33523%0.227SC..Hα-helixtrans-72.7-31.2178.5-73.7-177.3174-169.90113.3L177 T178 V183 E195L177-K181 HydrophobicContact CD1-CG 4.48Å; L177-K181 WeakPolarHBondContact O-CG 3.42Å; L177-K181 PolarHBondContact O-N 3.22Å; T178-K181 PolarHBondContact O-N 2.82Å; T178-K181 VanDerWaalsContact O-N 3.12Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 2.79Å; K181-E195 VanDerWaalsContact CE-CD 3.41Å; K181-E195 WeakPolarHBondContact CE-OE1 3.28Å; K181-E195 IonicContact NZ-OE1 2.88Å; K181-E195 PolarHBondContact NZ-OE1 3.41Å; K181-E195 IonicContact NZ-OE2 2.65Å; K181-E195 PolarHBondContact NZ-OE2 3.2Å
182N94.1Very high94.7Very high48 Ų4848.9 Ų48.926%0.25726%0.255SS..THydrogen-bonded Turntrans-81.2-6.2-179.5-71.8-1.1000113.2T178 V179 Y348 F349 I354T178-N182 WeakPolarHBondContact O-CB 3.27Å; T178-N182 VanDerWaalsContact O-CG 3.32Å; T178-N182 PolarHBondContact O-N 3.47Å; V179-N182 PolarHBondContact O-N 3.38Å; N182-Y348 WeakPolarHBondContact CB-O 3.25Å; N182-Y348 PolarHBondContact ND2-O 3.46Å; N182-F349 PolarHBondContact ND2-O 3.5Å; N182-I354 HydrophobicContact CB-CD1 4.01Å; N182-I354 HydrophobicContact CB-CG1 4.37Å
183V92.8Very high94.8Very high7 Ų749 Ų494%0.04226%0.255CS..SBendtrans-114110.5-176.4170.10000107.8V179 K181 L185 L186 S187 F336 I341 Y348V179-V183 WeakPolarHBondContact O-CG2 3.42Å; V179-V183 PolarHBondContact O-N 3.05Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 2.79Å; V183-L185 VanDerWaalsContact C-N 3.33Å; V183-L185 HydrophobicContact CG1-CB 4.48Å; V183-L185 PolarHBondContact O-N 3.36Å; V183-L186 HydrophobicContact CB-CB 4.18Å; V183-L186 HydrophobicContact CB-CD1 4.18Å; V183-L186 HydrophobicContact CB-CG 4.26Å; V183-L186 HydrophobicContact CG1-CB 4Å; V183-L186 HydrophobicContact CG1-CD1 3.93Å; V183-L186 HydrophobicContact CG1-CG 3.7Å; V183-L186 PolarHBondContact O-N 2.92Å; V183-S187 WeakPolarHBondContact O-CB 3.32Å; V183-S187 PolarHBondContact O-N 2.99Å; V183-F336 HydrophobicContact CG1-CD1 4.41Å; V183-F336 HydrophobicContact CG1-CE1 3.54Å; V183-F336 HydrophobicContact CG1-CZ 4.3Å; V183-I341 HydrophobicContact CB-CD1 4.34Å; V183-I341 HydrophobicContact CG1-CD1 4.04Å; V183-I341 HydrophobicContact CG2-CD1 3.51Å; V183-Y348 HydrophobicContact CG2-CD1 3.33Å; V183-Y348 HydrophobicContact CG2-CE1 3.79Å; V183-Y348 HydrophobicContact CG2-CG 3.91Å
184D91.4Very high95Very high104 Ų10445.2 Ų45.256%0.55623%0.23SC*.Hα-helixtrans-53.8-48.1-172-62.7-31.9000112.8L186 S187 D188D184-L186 PolarHBondContact O-N 3.5Å; D184-L186 VanDerWaalsContact O-N 3.15Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 VanDerWaalsContact O-N 3.15Å; D184-D188 PolarHBondContact O-N 3.48Å
185L91Very high95.2Very high56 Ų5643.9 Ų43.929%0.29322%0.224SC..Hα-helixtrans-55.6-35.5177.9-177.364.2000113.4V183 E332 I333 F336V183-L185 VanDerWaalsContact C-N 3.33Å; V183-L185 HydrophobicContact CG1-CB 4.48Å; V183-L185 PolarHBondContact O-N 3.36Å; L185-E332 HydrophobicContact CD2-CG 4.49Å; L185-I333 HydrophobicContact CD1-CG1 4.12Å; L185-I333 HydrophobicContact CD2-CG1 4Å; L185-I333 HydrophobicContact CG-CG1 3.99Å; L185-F336 HydrophobicContact CD2-CB 4.13Å; L185-F336 HydrophobicContact CD2-CD1 4.06Å; L185-F336 HydrophobicContact CD2-CG 4.07Å
186L93.2Very high95.1Very high0 Ų046.1 Ų46.10%024%0.239CC..Hα-helixtrans-88-33.1179.5-63.4-179.3000112.2F180 V183 D184 M189 L190 I333 I337 I341F180-L186 HydrophobicContact CB-CB 4.46Å; F180-L186 HydrophobicContact CD1-CB 4.2Å; F180-L186 HydrophobicContact CD1-CD1 4.33Å; F180-L186 HydrophobicContact CD2-CD1 3.96Å; F180-L186 HydrophobicContact CE1-CD1 4.35Å; F180-L186 HydrophobicContact CE2-CD1 3.98Å; F180-L186 HydrophobicContact CG-CB 4.34Å; F180-L186 HydrophobicContact CG-CD1 4.13Å; F180-L186 HydrophobicContact CZ-CD1 4.17Å; V183-L186 HydrophobicContact CB-CB 4.18Å; V183-L186 HydrophobicContact CB-CD1 4.18Å; V183-L186 HydrophobicContact CB-CG 4.26Å; V183-L186 HydrophobicContact CG1-CB 4Å; V183-L186 HydrophobicContact CG1-CD1 3.93Å; V183-L186 HydrophobicContact CG1-CG 3.7Å; V183-L186 PolarHBondContact O-N 2.92Å; D184-L186 PolarHBondContact O-N 3.5Å; D184-L186 VanDerWaalsContact O-N 3.15Å; L186-M189 HydrophobicContact CD2-SD 4.49Å; L186-M189 PolarHBondContact O-N 2.98Å; L186-L190 PolarHBondContact O-N 3.33Å; L186-I333 HydrophobicContact CD2-CG2 3.95Å; L186-I337 HydrophobicContact CD2-CD1 4.15Å; L186-I337 HydrophobicContact CD2-CG1 4.19Å; L186-I341 HydrophobicContact CD1-CD1 4.12Å; L186-I341 HydrophobicContact CD1-CG1 4.13Å
187S94Very high95.1Very high45 Ų4546 Ų4632%0.31524%0.239SC..Hα-helixtrans-64-41.3178.5-1670000110.8F180 V183 D184 M189 L190F180-S187 PolarHBondContact O-N 2.79Å; V183-S187 WeakPolarHBondContact O-CB 3.32Å; V183-S187 PolarHBondContact O-N 2.99Å; D184-S187 PolarHBondContact O-N 3.45Å; D184-S187 VanDerWaalsContact O-N 3.15Å; S187-M189 PolarHBondContact O-N 3.25Å; S187-L190 WeakPolarHBondContact O-CB 3.08Å; S187-L190 PolarHBondContact O-N 3.22Å
188D92.6Very high95.1Very high134 Ų13446.1 Ų46.172%0.71724%0.239SC*.THydrogen-bonded Turntrans-61-30.4176.9-79.7-12.8000113.3D184 L190D184-D188 PolarHBondContact O-N 3.48Å; D188-L190 VanDerWaalsContact C-N 3.33Å
189M92.2Very high95.1Very high42 Ų4248.7 Ų48.721%0.20725%0.247CC..THydrogen-bonded Turntrans-78.6-20.3175.9-58.7178.87400113.1L186 S187 F303 F306 I333L186-M189 HydrophobicContact CD2-SD 4.49Å; L186-M189 PolarHBondContact O-N 2.98Å; S187-M189 PolarHBondContact O-N 3.25Å; M189-F303 HydrophobicContact CB-CD2 4.23Å; M189-F303 HydrophobicContact CE-CD2 4.1Å; M189-F303 HydrophobicContact CE-CE2 4.36Å; M189-F303 PolarHBondContact O-N 3.37Å; M189-F303 HydrophobicContact SD-CD2 4.36Å; M189-F306 HydrophobicContact CE-CB 4.23Å; M189-F306 HydrophobicContact CE-CD2 4.15Å; M189-I333 HydrophobicContact CE-CD1 3.73Å; M189-I333 HydrophobicContact CG-CD1 4.34Å; M189-I333 HydrophobicContact SD-CD1 3.29Å; M189-I333 WeakPolarHBondContact SD-CD1 3.48Å; M189-I333 HydrophobicContact SD-CG1 3.98Å; M189-I333 HydrophobicContact SD-CG2 4.06Å
190L95.2Very high95.1Very high20 Ų2050.6 Ų50.611%0.10526%0.256CS..  trans-87.6128.6-167.2-170.4146.5000110.8L177 F180 L186 S187 D188 E195 L198L177-L190 HydrophobicContact CD1-CD1 3.82Å; F180-L190 HydrophobicContact CB-CD1 4.1Å; F180-L190 HydrophobicContact CD1-CD1 4.47Å; L186-L190 PolarHBondContact O-N 3.33Å; S187-L190 WeakPolarHBondContact O-CB 3.08Å; S187-L190 PolarHBondContact O-N 3.22Å; D188-L190 VanDerWaalsContact C-N 3.33Å; L190-E195 HydrophobicContact CD2-CG 3.66Å; L190-L198 HydrophobicContact CD1-CD1 3.37Å; L190-L198 HydrophobicContact CG-CD1 4.19Å
191Q96.6Very high95.2Very high57 Ų5751.2 Ų51.227%0.26626%0.259SS..  trans-106.5155.6176.3-54.1-63.6-59.900111.1H193 D194Q191-H193 WeakPolarHBondContact CB-CE1 3.42Å; Q191-H193 PolarHBondContact O-N 3.04Å; Q191-D194 WeakPolarHBondContact CB-OD2 3.45Å; Q191-D194 PolarHBondContact N-OD2 2.88Å; Q191-D194 WeakPolarHBondContact O-CB 3.19Å; Q191-D194 PolarHBondContact O-N 2.91Å
192E96.2Very high95.2Very high171 Ų17150.8 Ų50.880%0.79926%0.258SS*.THydrogen-bonded Turntrans-53.4-31.7-179.9-66.6-175.516800113.5D194 P196E192-D194 VanDerWaalsContact C-N 3.35Å; E192-P196 WeakPolarHBondContact O-CD 3.46Å
193H95.4Very high95.4Very high62 Ų6248.6 Ų48.629%0.28725%0.246SC..THydrogen-bonded Turntrans-82.8-12.2-179.459.2-103.9000113.7Q191 N300 D301Q191-H193 WeakPolarHBondContact CB-CE1 3.42Å; Q191-H193 PolarHBondContact O-N 3.04Å; H193-N300 PolarHBondContact CE1-ND2 3.05Å; H193-N300 PolarHBondContact NE2-ND2 2.84Å; H193-D301 PolarHBondContact CE1-O 3.37Å; H193-D301 PolarHBondContact NE2-O 3.01Å
194D97.5Very high95.7Very high0 Ų048.2 Ų48.20%024%0.244CC..THydrogen-bonded Turntrans-82.6-31174.6-62.2-38.4000111.3Q191 E192 V197 L198 V274 S302 F303 F304Q191-D194 WeakPolarHBondContact CB-OD2 3.45Å; Q191-D194 PolarHBondContact N-OD2 2.88Å; Q191-D194 WeakPolarHBondContact O-CB 3.19Å; Q191-D194 PolarHBondContact O-N 2.91Å; E192-D194 VanDerWaalsContact C-N 3.35Å; D194-V197 WeakPolarHBondContact O-CA 3.29Å; D194-V197 WeakPolarHBondContact O-CB 3.27Å; D194-V197 PolarHBondContact O-N 3.28Å; D194-L198 HydrophobicContact CB-CD1 4.47Å; D194-L198 PolarHBondContact O-N 3.47Å; D194-V274 WeakPolarHBondContact OD1-CG2 3.46Å; D194-S302 WeakPolarHBondContact OD1-CB 3.42Å; D194-S302 PolarHBondContact OD1-OG 2.9Å; D194-S302 WeakPolarHBondContact OD2-CA 3.47Å; D194-S302 PolarHBondContact OD2-OG 3.01Å; D194-F303 PolarHBondContact OD2-N 2.87Å; D194-F304 HydrophobicContact CB-CD2 4.4Å; D194-F304 HydrophobicContact CB-CE2 4.04Å; D194-F304 WeakPolarHBondContact OD1-CD2 3.37Å
195E97.1Very high96Very high49 Ų4945.3 Ų45.323%0.22923%0.226CC..Hα-helixtrans-51.6-48.9-178.2-58.9-170.9-17400113.3L177 K181 L190 V197 L198 K199L177-E195 HydrophobicContact CD1-CB 4.32Å; L177-E195 HydrophobicContact CD1-CG 4.22Å; L177-E195 HydrophobicContact CD2-CB 4.2Å; K181-E195 VanDerWaalsContact CE-CD 3.41Å; K181-E195 WeakPolarHBondContact CE-OE1 3.28Å; K181-E195 IonicContact NZ-OE1 2.88Å; K181-E195 PolarHBondContact NZ-OE1 3.41Å; K181-E195 IonicContact NZ-OE2 2.65Å; K181-E195 PolarHBondContact NZ-OE2 3.2Å; L190-E195 HydrophobicContact CD2-CG 3.66Å; E195-V197 PolarHBondContact O-N 2.97Å; E195-V197 VanDerWaalsContact O-N 3.13Å; E195-L198 PolarHBondContact O-N 3.41Å; E195-L198 VanDerWaalsContact O-N 3.12Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.94Å
196P97.6Very high96.2Very high55 Ų5543.7 Ų43.736%0.35722%0.219SC..Hα-helixtrans-61.4-25.9-179.9-22.836.3000113.2E192 H200 F228E192-P196 WeakPolarHBondContact O-CD 3.46Å; P196-H200 PolarHBondContact O-CD2 2.89Å; P196-H200 VanDerWaalsContact O-CD2 3.31Å; P196-F228 HydrophobicContact CB-CE1 4.45Å; P196-F228 HydrophobicContact CB-CE2 4.38Å; P196-F228 HydrophobicContact CB-CZ 3.69Å; P196-F228 WeakPolarHBondContact O-CE2 3.19Å
197V97.6Very high96.3Very high0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-78.6-44.6176.4-164.70000110.2D194 E195 K199 H200 F228 F229 V274 F304D194-V197 WeakPolarHBondContact O-CA 3.29Å; D194-V197 WeakPolarHBondContact O-CB 3.27Å; D194-V197 PolarHBondContact O-N 3.28Å; E195-V197 PolarHBondContact O-N 2.97Å; E195-V197 VanDerWaalsContact O-N 3.13Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å; V197-H200 WeakPolarHBondContact O-CB 3.14Å; V197-H200 PolarHBondContact O-N 2.78Å; V197-H200 VanDerWaalsContact O-N 3.12Å; V197-F228 HydrophobicContact CB-CD2 4.32Å; V197-F228 HydrophobicContact CB-CG 4.36Å; V197-F228 HydrophobicContact CG1-CB 4.09Å; V197-F228 HydrophobicContact CG1-CD2 4.19Å; V197-F228 HydrophobicContact CG1-CG 4.12Å; V197-F228 HydrophobicContact CG2-CB 4.39Å; V197-F228 HydrophobicContact CG2-CD1 3.66Å; V197-F228 HydrophobicContact CG2-CD2 4.12Å; V197-F228 HydrophobicContact CG2-CE1 3.88Å; V197-F228 HydrophobicContact CG2-CE2 4.32Å; V197-F228 HydrophobicContact CG2-CG 3.8Å; V197-F228 HydrophobicContact CG2-CZ 4.22Å; V197-F229 HydrophobicContact CG1-CD1 4.21Å; V197-F229 HydrophobicContact CG1-CE1 3.45Å; V197-F229 VanDerWaalsContact CG1-CE1 3.45Å; V197-F229 HydrophobicContact CG1-CZ 4.21Å; V197-V274 HydrophobicContact CG2-CG1 4.12Å; V197-F304 HydrophobicContact CB-CE2 3.63Å; V197-F304 HydrophobicContact CB-CZ 3.53Å; V197-F304 HydrophobicContact CG1-CE1 3.92Å; V197-F304 HydrophobicContact CG1-CE2 3.75Å; V197-F304 HydrophobicContact CG1-CZ 3.24Å; V197-F304 HydrophobicContact CG2-CE2 4.04Å; V197-F304 HydrophobicContact CG2-CZ 4.38Å
198L97.3Very high96.3Very high2 Ų248.5 Ų48.51%0.0123%0.234CC..Hα-helixtrans-68.6-21.3179.6-74.4171000113.6L177 F180 L190 D194 E195 H200 L201 F303 F304L177-L198 HydrophobicContact CB-CB 4.48Å; L177-L198 HydrophobicContact CD1-CB 3.99Å; L177-L198 HydrophobicContact CD1-CD1 4.2Å; F180-L198 HydrophobicContact CD1-CD1 4.36Å; L190-L198 HydrophobicContact CD1-CD1 3.37Å; L190-L198 HydrophobicContact CG-CD1 4.19Å; D194-L198 HydrophobicContact CB-CD1 4.47Å; D194-L198 PolarHBondContact O-N 3.47Å; E195-L198 PolarHBondContact O-N 3.41Å; E195-L198 VanDerWaalsContact O-N 3.12Å; L198-H200 PolarHBondContact O-N 3.42Å; L198-H200 VanDerWaalsContact O-N 3.12Å; L198-L201 HydrophobicContact CD2-CD2 4Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 3.45Å; L198-F303 HydrophobicContact CD1-CD1 4.42Å; L198-F303 HydrophobicContact CD2-CD1 4.22Å; L198-F303 HydrophobicContact CD2-CE1 4.19Å; L198-F304 HydrophobicContact CD2-CZ 4.25Å; L198-F304 HydrophobicContact CG-CZ 4.24Å
199K96.5Very high96.3Very high93 Ų9342.6 Ų42.640%0.40420%0.203SC..THydrogen-bonded Turntrans-57.5-23.1168.9-71.1-179.3-167.5-136.50113.4E174 L177 E195 V197E174-K199 HydrophobicContact CG-CG 4.16Å; E174-K199 WeakPolarHBondContact OE1-CD 3.46Å; E174-K199 VanDerWaalsContact OE1-CE 3.25Å; E174-K199 WeakPolarHBondContact OE1-CE 3.41Å; E174-K199 IonicContact OE1-NZ 2.83Å; E174-K199 PolarHBondContact OE1-NZ 3.45Å; E174-K199 IonicContact OE2-NZ 3.14Å; L177-K199 HydrophobicContact CD2-CG 3.74Å; E195-K199 WeakPolarHBondContact O-CG 3.29Å; E195-K199 PolarHBondContact O-N 2.94Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å
200H97.1Very high96.1Very high41 Ų4145.3 Ų45.319%0.1922%0.219CC..THydrogen-bonded Turntrans-89.7-0.7177.3-64.3-67.5000113.7P196 V197 L198 Q202 F223 E224 N226 F228P196-H200 PolarHBondContact O-CD2 2.89Å; P196-H200 VanDerWaalsContact O-CD2 3.31Å; V197-H200 WeakPolarHBondContact O-CB 3.14Å; V197-H200 PolarHBondContact O-N 2.78Å; V197-H200 VanDerWaalsContact O-N 3.12Å; L198-H200 PolarHBondContact O-N 3.42Å; L198-H200 VanDerWaalsContact O-N 3.12Å; H200-Q202 PolarHBondContact O-N 3.29Å; H200-F223 HydrophobicContact CB-CD1 4.12Å; H200-F223 VanDerWaalsContact O-CA 3.31Å; H200-F223 WeakPolarHBondContact O-CA 3.45Å; H200-E224 HydrophobicContact CB-CG 3.82Å; H200-E224 IonicContact CE1-OE1 2.83Å; H200-E224 IonicContact CG-OE1 2.61Å; H200-E224 IonicContact ND1-OE1 2.71Å; H200-E224 PolarHBondContact ND1-OE1 3.42Å; H200-E224 PolarHBondContact O-N 3.45Å; H200-N226 HydrophobicContact CB-CB 3.96Å; H200-N226 VanDerWaalsContact CD2-CB 3.46Å; H200-N226 WeakPolarHBondContact CD2-CB 3.41Å; H200-N226 VanDerWaalsContact CG-CB 3.49Å; H200-F228 AromaticContact CD2-CD2 3.99Å; H200-F228 AromaticContact CD2-CE2 3.83Å; H200-F228 AromaticContact NE2-CE2 3.81Å
201L97.8Very high95.7Very high12 Ų1249.4 Ų49.46%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-75.7117.2178.3-177.159.7000110.1W176 L198 I204 F221 F223W176-L201 HydrophobicContact CB-CB 4.4Å; W176-L201 HydrophobicContact CB-CD2 3.66Å; W176-L201 HydrophobicContact CB-CG 3.96Å; W176-L201 HydrophobicContact CG-CD2 4.15Å; W176-L201 HydrophobicContact CG-CG 4.14Å; L198-L201 HydrophobicContact CD2-CD2 4Å; L198-L201 WeakPolarHBondContact O-CB 3.48Å; L198-L201 PolarHBondContact O-N 3.45Å; L201-I204 HydrophobicContact CD1-CG1 4.38Å; L201-I204 HydrophobicContact CD2-CD1 4.07Å; L201-I204 HydrophobicContact CD2-CG1 4.11Å; L201-I204 HydrophobicContact CG-CG1 4.5Å; L201-F221 HydrophobicContact CD1-CB 3.84Å; L201-F221 HydrophobicContact CD1-CD1 4.19Å; L201-F221 HydrophobicContact CD2-CD1 4.23Å; L201-F223 HydrophobicContact CB-CD1 4.2Å; L201-F223 HydrophobicContact CB-CE1 3.83Å; L201-F223 HydrophobicContact CB-CZ 4.33Å; L201-F223 HydrophobicContact CD1-CD1 4.46Å; L201-F223 HydrophobicContact CD1-CD2 4.31Å; L201-F223 HydrophobicContact CD1-CE1 4.12Å; L201-F223 HydrophobicContact CD1-CE2 3.96Å; L201-F223 HydrophobicContact CD1-CZ 3.86Å
202Q97Very high95.1Very high68 Ų6850.9 Ų50.932%0.31828%0.277SS..EExtended strand (participates in β ladder)trans-95-39-177.1-65.1-170.7-38.800112.7T123 W176 H200 H222 E224T123-Q202 HydrophobicContact CG2-CB 3.89Å; T123-Q202 HydrophobicContact CG2-CG 4.1Å; W176-Q202 PolarHBondContact NE1-O 3.26Å; H200-Q202 PolarHBondContact O-N 3.29Å; Q202-H222 PolarHBondContact N-O 3.18Å; Q202-E224 HydrophobicContact CG-CB 4.05Å
203D98.2Very high94.6Very high2 Ų247.6 Ų47.61%0.01126%0.261CS..EExtended strand (participates in β ladder)trans-156.1153.1-177.1-161.224.9000112.6R118 W176 K205 H222R118-D203 IonicContact CZ-OD1 2.61Å; R118-D203 IonicContact NH2-OD1 2.9Å; R118-D203 PolarHBondContact NH2-OD1 3.3Å; W176-D203 WeakPolarHBondContact CZ2-OD1 3.48Å; W176-D203 VanDerWaalsContact NE1-CA 3.33Å; D203-K205 WeakPolarHBondContact OD2-CE 3.34Å; D203-K205 VanDerWaalsContact OD2-CG 3.3Å; D203-K205 WeakPolarHBondContact OD2-CG 3.22Å; D203-K205 IonicContact OD2-NZ 3.91Å; D203-H222 HydrophobicContact CB-CB 4.31Å; D203-H222 PolarHBondContact N-O 2.9Å; D203-H222 PolarHBondContact O-N 3.04Å
204I98Very high94.3Very high0 Ų049.5 Ų49.50%028%0.279CS..EExtended strand (participates in β ladder)trans-121.8119.1169.5-53.7178.3000107.8W176 F180 L201 E220 F221 I337 V342W176-I204 HydrophobicContact CD2-CD1 4.01Å; W176-I204 HydrophobicContact CD2-CG1 3.96Å; W176-I204 HydrophobicContact CE3-CB 4.48Å; W176-I204 HydrophobicContact CE3-CD1 3.54Å; W176-I204 HydrophobicContact CE3-CG1 3.92Å; W176-I204 HydrophobicContact CH2-CB 4.03Å; W176-I204 HydrophobicContact CH2-CG1 4.33Å; W176-I204 HydrophobicContact CZ2-CB 4.24Å; W176-I204 HydrophobicContact CZ2-CG1 4.39Å; W176-I204 HydrophobicContact CZ3-CB 4.17Å; W176-I204 HydrophobicContact CZ3-CD1 3.84Å; W176-I204 HydrophobicContact CZ3-CG1 4.11Å; F180-I204 HydrophobicContact CE2-CD1 3.61Å; F180-I204 HydrophobicContact CZ-CD1 3.98Å; L201-I204 HydrophobicContact CD1-CG1 4.38Å; L201-I204 HydrophobicContact CD2-CD1 4.07Å; L201-I204 HydrophobicContact CD2-CG1 4.11Å; L201-I204 HydrophobicContact CG-CG1 4.5Å; I204-E220 CarbonylContact C-O 3.53Å; I204-E220 WeakPolarHBondContact CA-O 3.25Å; I204-F221 HydrophobicContact CD1-CD1 3.94Å; I204-F221 HydrophobicContact CD1-CE1 3.75Å; I204-F221 HydrophobicContact CG1-CD1 3.88Å; I204-F221 HydrophobicContact CG1-CE1 4.14Å; I204-F221 HydrophobicContact CG2-CD1 4.45Å; I204-F221 HydrophobicContact CG2-CE1 4.3Å; I204-F221 HydrophobicContact CG2-CZ 4.44Å; I204-I337 HydrophobicContact CG2-CG2 4.07Å; I204-V342 HydrophobicContact CB-CG2 4.1Å; I204-V342 HydrophobicContact CG2-CG2 3.71Å
205K97.1Very high93.9Very high42 Ų4250.5 Ų50.518%0.18328%0.284CS..EExtended strand (participates in β ladder)trans-112.9145.5-179.9-59.1-167.4177.7-162.60111.1D116 D203 L219 E220D116-K205 IonicContact OD1-NZ 2.67Å; D116-K205 PolarHBondContact OD1-NZ 3.5Å; D203-K205 WeakPolarHBondContact OD2-CE 3.34Å; D203-K205 VanDerWaalsContact OD2-CG 3.3Å; D203-K205 WeakPolarHBondContact OD2-CG 3.22Å; D203-K205 IonicContact OD2-NZ 3.91Å; K205-L219 CarbonylContact O-C 3.57Å; K205-L219 WeakPolarHBondContact O-CA 3.42Å; K205-E220 HydrophobicContact CB-CB 4.35Å; K205-E220 PolarHBondContact N-O 2.81Å; K205-E220 PolarHBondContact O-N 3.45Å
206V96.6Very high93.7Very high22 Ų2249.1 Ų49.113%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-106.9125169.8-177.30000108.1F208 F217 T218 L219 R338 V342V206-F208 HydrophobicContact CG1-CE2 4.08Å; V206-F208 HydrophobicContact CG1-CZ 4.09Å; V206-F217 HydrophobicContact CG1-CB 4.35Å; V206-F217 HydrophobicContact CG1-CD2 4.48Å; V206-T218 WeakPolarHBondContact CA-O 3.47Å; V206-L219 HydrophobicContact CG2-CD2 3.89Å; V206-R338 HydrophobicContact CG1-CG 4Å; V206-R338 HydrophobicContact CG2-CB 4.32Å; V206-R338 HydrophobicContact CG2-CG 4.39Å; V206-V342 HydrophobicContact CG2-CB 4.07Å; V206-V342 HydrophobicContact CG2-CG1 4.08Å; V206-V342 HydrophobicContact CG2-CG2 3.99Å
207K94.4Very high93.6Very high100 Ų10046.5 Ų46.544%0.43526%0.263SS..EExtended strand (participates in β ladder)trans-117.6126172.7-69.2-173.9-179.5164.70110.3F217 T218 E220K207-F217 CarbonylContact O-C 3.57Å; K207-F217 WeakPolarHBondContact O-CA 3.38Å; K207-T218 PolarHBondContact N-O 3.45Å; K207-T218 PolarHBondContact O-N 2.96Å; K207-E220 WeakPolarHBondContact CD-OE1 3.36Å; K207-E220 VanDerWaalsContact CE-CD 3.45Å; K207-E220 WeakPolarHBondContact CE-OE1 3.4Å; K207-E220 WeakPolarHBondContact CE-OE2 3.46Å; K207-E220 IonicContact NZ-OE1 3.91Å; K207-E220 PolarHBondContact NZ-OE1 2.81Å; K207-E220 IonicContact NZ-OE2 3.99Å; K207-E220 PolarHBondContact NZ-OE2 3.21Å
208F93.8Very high93.5Very high47 Ų4747.8 Ų47.821%0.20627%0.271CS..EExtended strand (participates in β ladder)trans-86.3156.4173.5-62.7-82.4000111.1H101 E104 R105 A108 V206 F217H101-F208 AromaticContact CE1-CD1 3.72Å; E104-F208 HydrophobicContact CB-CZ 4.46Å; R105-F208 HydrophobicContact CG-CB 3.75Å; R105-F208 HydrophobicContact CG-CG 4.18Å; A108-F208 HydrophobicContact CB-CD2 3.69Å; A108-F208 HydrophobicContact CB-CE2 3.53Å; V206-F208 HydrophobicContact CG1-CE2 4.08Å; V206-F208 HydrophobicContact CG1-CZ 4.09Å; F208-F217 HydrophobicContact CD1-CB 4.08Å; F208-F217 HydrophobicContact CE1-CB 4.35Å
209S92.3Very high93.4Very high9 Ų947.7 Ų47.76%0.06327%0.27CS..PPolyproline II helixtrans-57.2149.4169.142.20000112.6R105 P214 S216R105-S209 WeakPolarHBondContact CD-O 3.18Å; S209-P214 WeakPolarHBondContact CB-O 3.49Å; S209-P214 PolarHBondContact OG-O 2.87Å; S209-S216 WeakPolarHBondContact CB-OG 3.42Å; S209-S216 PolarHBondContact N-O 3.12Å; S209-S216 PolarHBondContact OG-N 2.58Å; S209-S216 VanDerWaalsContact OG-N 3.08Å; S209-S216 PolarHBondContact OG-O 2.76Å
210D89.7Confident93.4Very high100 Ų10044.7 Ų44.754%0.53526%0.258SS..PPolyproline II helixtrans-64.5154176.4-65.2-52.8000111.7G212 Q213D210-G212 PolarHBondContact O-N 3.31Å; D210-Q213 HydrophobicContact CB-CG 4.25Å; D210-Q213 WeakPolarHBondContact O-CB 3.17Å; D210-Q213 PolarHBondContact O-N 3.24Å; D210-Q213 PolarHBondContact OD2-NE2 3Å
211P87.1Confident93.5Very high106 Ų10642.8 Ų42.869%0.68825%0.249SC*.THydrogen-bonded Turntrans-52.4128.5173.2-25.834.6000112.2
212G82.8Confident93.5Very high87 Ų8744.3 Ų44.390%0.89726%0.256SS*.THydrogen-bonded Turntrans85.2-0.5-178.900000115.4D210D210-G212 PolarHBondContact O-N 3.31Å
213Q86.9Confident93.5Very high103 Ų10341.3 Ų41.348%0.48124%0.242SC..SBendtrans-90.5159.4166-67.3178.53.900110.9D210D210-Q213 HydrophobicContact CB-CG 4.25Å; D210-Q213 WeakPolarHBondContact O-CB 3.17Å; D210-Q213 PolarHBondContact O-N 3.24Å; D210-Q213 PolarHBondContact OD2-NE2 3Å
214P87.3Confident93.4Very high102 Ų10244.8 Ų44.866%0.66226%0.258SS*.PPolyproline II helixtrans-55.9140.6173-23.433.8000111.7S209 S216S209-P214 WeakPolarHBondContact CB-O 3.49Å; S209-P214 PolarHBondContact OG-O 2.87Å; P214-S216 PolarHBondContact O-N 3.15Å; P214-S216 VanDerWaalsContact O-N 3.11Å; P214-S216 PolarHBondContact O-OG 2.94Å
215M90.8Very high93.3Very high20 Ų2050.8 Ų50.810%0.09930%0.297CS..SBendtrans-53.1117.7-179.7-171.8-176.8-61.600110.3H101 M240 P255H101-M215 HydrophobicContact CB-CE 3.51Å; H101-M215 HydrophobicContact CB-SD 4.21Å; M215-M240 HydrophobicContact CB-CB 4.16Å; M215-M240 HydrophobicContact CG-CB 3.77Å; M215-M240 HydrophobicContact CG-CG 4.5Å; M215-M240 HydrophobicContact CG-SD 4.24Å; M215-M240 PolarHBondContact O-N 3.49Å; M215-M240 HydrophobicContact SD-CB 3.73Å; M215-M240 HydrophobicContact SD-CE 4.22Å; M215-M240 HydrophobicContact SD-SD 4.15Å; M215-P255 HydrophobicContact SD-CB 4.18Å
216S92.9Very high93.3Very high20 Ų2050 Ų5014%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-155.5160.4173.451.40000111.1S209 P214 Y238S209-S216 WeakPolarHBondContact CB-OG 3.42Å; S209-S216 PolarHBondContact N-O 3.12Å; S209-S216 PolarHBondContact OG-N 2.58Å; S209-S216 VanDerWaalsContact OG-N 3.08Å; S209-S216 PolarHBondContact OG-O 2.76Å; P214-S216 PolarHBondContact O-N 3.15Å; P214-S216 VanDerWaalsContact O-N 3.11Å; P214-S216 PolarHBondContact O-OG 2.94Å; S216-Y238 CarbonylContact C-O 3.24Å; S216-Y238 WeakPolarHBondContact CA-O 3.43Å; S216-Y238 WeakPolarHBondContact CB-O 3.38Å
217F94.2Very high93.3Very high0 Ų054.2 Ų54.20%031%0.313CS..EExtended strand (participates in β ladder)trans-134.6149.4168.469.3-85.2000110.5V206 K207 F208 L219 T237 Y238 M240 I257 R338V206-F217 HydrophobicContact CG1-CB 4.35Å; V206-F217 HydrophobicContact CG1-CD2 4.48Å; K207-F217 CarbonylContact O-C 3.57Å; K207-F217 WeakPolarHBondContact O-CA 3.38Å; F208-F217 HydrophobicContact CD1-CB 4.08Å; F208-F217 HydrophobicContact CE1-CB 4.35Å; F217-L219 HydrophobicContact CD2-CD2 4.11Å; F217-L219 HydrophobicContact CD2-CG 4.33Å; F217-L219 HydrophobicContact CE2-CD2 4.07Å; F217-L219 HydrophobicContact CE2-CG 4.12Å; F217-T237 CarbonylContact O-C 3.58Å; F217-T237 WeakPolarHBondContact O-CA 3.38Å; F217-Y238 HydrophobicContact CD2-CD2 4.17Å; F217-Y238 HydrophobicContact CE1-CD2 4.27Å; F217-Y238 HydrophobicContact CE1-CG 4.17Å; F217-Y238 AromaticContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CD2 3.43Å; F217-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CE2 4.11Å; F217-Y238 HydrophobicContact CE2-CG 4.15Å; F217-Y238 AromaticContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CD2 3.5Å; F217-Y238 VanDerWaalsContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CE2 4.29Å; F217-Y238 AromaticContact CZ-CG 3.75Å; F217-Y238 HydrophobicContact CZ-CG 3.75Å; F217-Y238 PolarHBondContact N-O 2.95Å; F217-Y238 PolarHBondContact O-N 3.25Å; F217-M240 HydrophobicContact CD1-CG 4.3Å; F217-M240 HydrophobicContact CD1-SD 3.59Å; F217-M240 VanDerWaalsContact CD1-SD 3.59Å; F217-M240 HydrophobicContact CE1-CG 4.28Å; F217-M240 HydrophobicContact CE1-SD 3.75Å; F217-I257 HydrophobicContact CE1-CD1 4.07Å; F217-I257 HydrophobicContact CE1-CG1 4.32Å; F217-I257 HydrophobicContact CZ-CD1 4.01Å; F217-R338 HydrophobicContact CD2-CB 4.22Å; F217-R338 HydrophobicContact CD2-CG 4.32Å; F217-R338 HydrophobicContact CE2-CB 3.9Å; F217-R338 HydrophobicContact CE2-CG 4.38Å; F217-R338 HydrophobicContact CZ-CB 4.46Å
218T95.1Very high93.5Very high28 Ų2850.3 Ų50.317%0.17230%0.296CS..EExtended strand (participates in β ladder)trans-118.8124.6178.1-56.90000108.8V206 K207 E220 K236 T237V206-T218 WeakPolarHBondContact CA-O 3.47Å; K207-T218 PolarHBondContact N-O 3.45Å; K207-T218 PolarHBondContact O-N 2.96Å; T218-E220 HydrophobicContact CG2-CG 4.09Å; T218-K236 CarbonylContact C-O 3.43Å; T218-K236 VanDerWaalsContact CA-O 3.31Å; T218-K236 WeakPolarHBondContact CA-O 3.48Å; T218-T237 WeakPolarHBondContact CG2-OG1 3.12Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.38Å; T218-T237 PolarHBondContact OG1-OG1 3.29Å
219L96.5Very high93.7Very high0 Ų048.2 Ų48.20%029%0.287CS..EExtended strand (participates in β ladder)trans-84.7124.8165.6-57.6-178.6000108.3K205 V206 F217 F221 S235 K236 Y238 F306 I337 R338K205-L219 CarbonylContact O-C 3.57Å; K205-L219 WeakPolarHBondContact O-CA 3.42Å; V206-L219 HydrophobicContact CG2-CD2 3.89Å; F217-L219 HydrophobicContact CD2-CD2 4.11Å; F217-L219 HydrophobicContact CD2-CG 4.33Å; F217-L219 HydrophobicContact CE2-CD2 4.07Å; F217-L219 HydrophobicContact CE2-CG 4.12Å; L219-F221 HydrophobicContact CB-CD2 4.45Å; L219-F221 HydrophobicContact CB-CE2 3.74Å; L219-F221 HydrophobicContact CD1-CE2 4.48Å; L219-S235 CarbonylContact O-C 3.58Å; L219-S235 WeakPolarHBondContact O-CA 3.39Å; L219-K236 PolarHBondContact N-O 3.28Å; L219-K236 PolarHBondContact O-N 3.15Å; L219-Y238 HydrophobicContact CD1-CE2 4.02Å; L219-Y238 HydrophobicContact CG-CE2 4.41Å; L219-F306 HydrophobicContact CD1-CE1 4.46Å; L219-F306 HydrophobicContact CD1-CZ 4.18Å; L219-I337 HydrophobicContact CD1-CB 4.02Å; L219-I337 HydrophobicContact CD1-CD1 4.24Å; L219-I337 HydrophobicContact CD1-CG2 3.95Å; L219-I337 HydrophobicContact CD2-CG2 4.04Å; L219-R338 HydrophobicContact CD2-CB 4.26Å
220E96.7Very high93.9Very high30 Ų3052.7 Ų52.714%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-115.7119.7175.3-67.6-173.6165.700110.3I204 K205 K207 T218 H222 V233I204-E220 CarbonylContact C-O 3.53Å; I204-E220 WeakPolarHBondContact CA-O 3.25Å; K205-E220 HydrophobicContact CB-CB 4.35Å; K205-E220 PolarHBondContact N-O 2.81Å; K205-E220 PolarHBondContact O-N 3.45Å; K207-E220 WeakPolarHBondContact CD-OE1 3.36Å; K207-E220 VanDerWaalsContact CE-CD 3.45Å; K207-E220 WeakPolarHBondContact CE-OE1 3.4Å; K207-E220 WeakPolarHBondContact CE-OE2 3.46Å; K207-E220 IonicContact NZ-OE1 3.91Å; K207-E220 PolarHBondContact NZ-OE1 2.81Å; K207-E220 IonicContact NZ-OE2 3.99Å; K207-E220 PolarHBondContact NZ-OE2 3.21Å; T218-E220 HydrophobicContact CG2-CG 4.09Å; E220-H222 WeakPolarHBondContact CB-NE2 3.42Å; E220-H222 PolarHBondContact O-CD2 3.17Å; E220-H222 IonicContact OE2-CE1 2.68Å; E220-H222 IonicContact OE2-NE2 3.05Å; E220-H222 PolarHBondContact OE2-NE2 2.97Å; E220-H222 VanDerWaalsContact OE2-NE2 3.14Å; E220-V233 HydrophobicContact CB-CG1 3.82Å; E220-V233 HydrophobicContact CG-CG1 4.13Å
221F97.7Very high94.2Very high0 Ų049.2 Ų49.20%030%0.295CS..EExtended strand (participates in β ladder)trans-102.2109.5177.7-63.3-106.3000108.2F180 L201 I204 L219 F223 V233 L234 F303 F306 F307 I337F180-F221 HydrophobicContact CZ-CE1 4.08Å; L201-F221 HydrophobicContact CD1-CB 3.84Å; L201-F221 HydrophobicContact CD1-CD1 4.19Å; L201-F221 HydrophobicContact CD2-CD1 4.23Å; I204-F221 HydrophobicContact CD1-CD1 3.94Å; I204-F221 HydrophobicContact CD1-CE1 3.75Å; I204-F221 HydrophobicContact CG1-CD1 3.88Å; I204-F221 HydrophobicContact CG1-CE1 4.14Å; I204-F221 HydrophobicContact CG2-CD1 4.45Å; I204-F221 HydrophobicContact CG2-CE1 4.3Å; I204-F221 HydrophobicContact CG2-CZ 4.44Å; L219-F221 HydrophobicContact CB-CD2 4.45Å; L219-F221 HydrophobicContact CB-CE2 3.74Å; L219-F221 HydrophobicContact CD1-CE2 4.48Å; F221-F223 HydrophobicContact CB-CD2 4.41Å; F221-F223 HydrophobicContact CB-CE2 3.71Å; F221-F223 HydrophobicContact CB-CZ 4.47Å; F221-F223 WeakPolarHBondContact O-CD2 3.34Å; F221-V233 CarbonylContact O-C 3.55Å; F221-V233 VanDerWaalsContact O-CA 3.27Å; F221-V233 WeakPolarHBondContact O-CA 3.46Å; F221-L234 HydrophobicContact CB-CB 4.33Å; F221-L234 PolarHBondContact N-O 3.05Å; F221-L234 PolarHBondContact O-N 3.42Å; F221-F303 HydrophobicContact CE1-CZ 4.19Å; F221-F306 AromaticContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CZ-CD1 4.46Å; F221-F306 AromaticContact CZ-CE1 3.9Å; F221-F306 HydrophobicContact CZ-CE1 3.9Å; F221-F307 HydrophobicContact CB-CZ 4.24Å; F221-F307 HydrophobicContact CD1-CZ 4.21Å; F221-F307 AromaticContact CD2-CE1 3.52Å; F221-F307 HydrophobicContact CD2-CE1 3.52Å; F221-F307 AromaticContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CE1-CZ 4.45Å; F221-F307 AromaticContact CE2-CE1 3.77Å; F221-F307 HydrophobicContact CE2-CE1 3.77Å; F221-F307 AromaticContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CG-CE1 4.2Å; F221-F307 AromaticContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CZ-CZ 4.26Å; F221-I337 HydrophobicContact CZ-CD1 4.17Å
222H98Very high94.7Very high44 Ų4448.6 Ų48.620%0.20429%0.289CS..EExtended strand (participates in β ladder)trans-93.1118.9-174.7-69.3-101.5000109.8Q202 D203 E220 T232 V233Q202-H222 PolarHBondContact N-O 3.18Å; D203-H222 HydrophobicContact CB-CB 4.31Å; D203-H222 PolarHBondContact N-O 2.9Å; D203-H222 PolarHBondContact O-N 3.04Å; E220-H222 WeakPolarHBondContact CB-NE2 3.42Å; E220-H222 PolarHBondContact O-CD2 3.17Å; E220-H222 IonicContact OE2-CE1 2.68Å; E220-H222 IonicContact OE2-NE2 3.05Å; E220-H222 PolarHBondContact OE2-NE2 2.97Å; E220-H222 VanDerWaalsContact OE2-NE2 3.14Å; H222-T232 WeakPolarHBondContact CA-O 3.33Å; H222-V233 WeakPolarHBondContact ND1-CG2 3.5Å
223F97.5Very high95.3Very high6 Ų646.5 Ų46.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-109.9141.8-179.7-70.2-93.2000111.1H200 L201 F221 F229 T232 L234 F304H200-F223 HydrophobicContact CB-CD1 4.12Å; H200-F223 VanDerWaalsContact O-CA 3.31Å; H200-F223 WeakPolarHBondContact O-CA 3.45Å; L201-F223 HydrophobicContact CB-CD1 4.2Å; L201-F223 HydrophobicContact CB-CE1 3.83Å; L201-F223 HydrophobicContact CB-CZ 4.33Å; L201-F223 HydrophobicContact CD1-CD1 4.46Å; L201-F223 HydrophobicContact CD1-CD2 4.31Å; L201-F223 HydrophobicContact CD1-CE1 4.12Å; L201-F223 HydrophobicContact CD1-CE2 3.96Å; L201-F223 HydrophobicContact CD1-CZ 3.86Å; F221-F223 HydrophobicContact CB-CD2 4.41Å; F221-F223 HydrophobicContact CB-CE2 3.71Å; F221-F223 HydrophobicContact CB-CZ 4.47Å; F221-F223 WeakPolarHBondContact O-CD2 3.34Å; F223-F229 HydrophobicContact CB-CE2 3.98Å; F223-F229 HydrophobicContact CB-CZ 4.22Å; F223-F229 HydrophobicContact CD1-CE2 4.33Å; F223-F229 AromaticContact CD1-CZ 3.7Å; F223-F229 HydrophobicContact CD1-CZ 3.7Å; F223-F229 AromaticContact CD2-CE2 3.98Å; F223-F229 HydrophobicContact CD2-CE2 3.98Å; F223-F229 AromaticContact CD2-CZ 3.73Å; F223-F229 HydrophobicContact CD2-CZ 3.73Å; F223-F229 AromaticContact CE1-CZ 3.91Å; F223-F229 HydrophobicContact CE1-CZ 3.91Å; F223-F229 AromaticContact CE2-CZ 3.93Å; F223-F229 HydrophobicContact CE2-CZ 3.93Å; F223-F229 AromaticContact CG-CE2 3.84Å; F223-F229 HydrophobicContact CG-CE2 3.84Å; F223-F229 AromaticContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CZ-CZ 4.02Å; F223-T232 PolarHBondContact N-O 3.17Å; F223-L234 HydrophobicContact CD2-CD1 4.41Å; F223-L234 HydrophobicContact CD2-CG 4.19Å; F223-L234 HydrophobicContact CE2-CB 4.31Å; F223-L234 HydrophobicContact CE2-CD1 3.74Å; F223-L234 HydrophobicContact CE2-CG 3.88Å; F223-L234 HydrophobicContact CZ-CD1 4.32Å; F223-F304 HydrophobicContact CZ-CE1 4.04Å; F223-F304 HydrophobicContact CZ-CZ 4.47Å
224E96.1Very high95.8Very high74 Ų7441.6 Ų41.635%0.34624%0.236SC..  trans-69.5160.4165.873.8177.2173.200111.3H200 Q202 N226H200-E224 HydrophobicContact CB-CG 3.82Å; H200-E224 IonicContact CE1-OE1 2.83Å; H200-E224 IonicContact CG-OE1 2.61Å; H200-E224 IonicContact ND1-OE1 2.71Å; H200-E224 PolarHBondContact ND1-OE1 3.42Å; H200-E224 PolarHBondContact O-N 3.45Å; Q202-E224 HydrophobicContact CG-CB 4.05Å; E224-N226 PolarHBondContact O-N 3.29Å; E224-N226 PolarHBondContact O-ND2 2.89Å
225P97Very high96.1Very high126 Ų12638.6 Ų38.682%0.81822%0.218SC*.SBendtrans-53.9117.5172.9-25.235.2000111.3
226N96.4Very high96.2Very high27 Ų2737.8 Ų37.814%0.14421%0.214CC..  trans-131.5171.6-173.666.178.8000111.8H200 E224 F228 F229H200-N226 HydrophobicContact CB-CB 3.96Å; H200-N226 VanDerWaalsContact CD2-CB 3.46Å; H200-N226 WeakPolarHBondContact CD2-CB 3.41Å; H200-N226 VanDerWaalsContact CG-CB 3.49Å; E224-N226 PolarHBondContact O-N 3.29Å; E224-N226 PolarHBondContact O-ND2 2.89Å; N226-F228 HydrophobicContact CB-CD2 4.36Å; N226-F228 WeakPolarHBondContact OD1-CA 3.41Å; N226-F228 WeakPolarHBondContact OD1-CB 3.22Å; N226-F228 PolarHBondContact OD1-N 3.06Å; N226-F229 PolarHBondContact OD1-N 3.4Å; N226-F229 VanDerWaalsContact OD1-N 3.09Å; N226-F229 PolarHBondContact OD1-O 3.33Å
227E97.3Very high96.2Very high109 Ų10938.2 Ų38.251%0.50922%0.215SC..SBendtrans-85.3-8.5-17961.4161.7-171.200114.2T269 K272E227-T269 WeakPolarHBondContact O-CB 3.32Å; E227-T269 WeakPolarHBondContact O-CG2 3.46Å; E227-T269 PolarHBondContact O-OG1 3.02Å; E227-K272 IonicContact OE1-NZ 2.88Å; E227-K272 PolarHBondContact OE1-NZ 3.06Å; E227-K272 WeakPolarHBondContact OE2-CE 3.45Å; E227-K272 IonicContact OE2-NZ 2.74Å; E227-K272 PolarHBondContact OE2-NZ 3.41Å
228F97.5Very high96.1Very high18 Ų1838.2 Ų38.28%0.07922%0.215CC..SBendtrans-89.1-43-170.1-59.8-85.7000113.1P196 V197 H200 N226 W268 T269 K272P196-F228 HydrophobicContact CB-CE1 4.45Å; P196-F228 HydrophobicContact CB-CE2 4.38Å; P196-F228 HydrophobicContact CB-CZ 3.69Å; P196-F228 WeakPolarHBondContact O-CE2 3.19Å; V197-F228 HydrophobicContact CB-CD2 4.32Å; V197-F228 HydrophobicContact CB-CG 4.36Å; V197-F228 HydrophobicContact CG1-CB 4.09Å; V197-F228 HydrophobicContact CG1-CD2 4.19Å; V197-F228 HydrophobicContact CG1-CG 4.12Å; V197-F228 HydrophobicContact CG2-CB 4.39Å; V197-F228 HydrophobicContact CG2-CD1 3.66Å; V197-F228 HydrophobicContact CG2-CD2 4.12Å; V197-F228 HydrophobicContact CG2-CE1 3.88Å; V197-F228 HydrophobicContact CG2-CE2 4.32Å; V197-F228 HydrophobicContact CG2-CG 3.8Å; V197-F228 HydrophobicContact CG2-CZ 4.22Å; H200-F228 AromaticContact CD2-CD2 3.99Å; H200-F228 AromaticContact CD2-CE2 3.83Å; H200-F228 AromaticContact NE2-CE2 3.81Å; N226-F228 HydrophobicContact CB-CD2 4.36Å; N226-F228 WeakPolarHBondContact OD1-CA 3.41Å; N226-F228 WeakPolarHBondContact OD1-CB 3.22Å; N226-F228 PolarHBondContact OD1-N 3.06Å; F228-W268 HydrophobicContact CB-CE3 4.4Å; F228-W268 HydrophobicContact CB-CZ3 4.11Å; F228-W268 CarbonylContact O-C 3.54Å; F228-W268 WeakPolarHBondContact O-CA 3.15Å; F228-T269 PolarHBondContact O-N 3.39Å; F228-T269 PolarHBondContact O-OG1 3.34Å; F228-K272 HydrophobicContact CB-CB 4.44Å; F228-K272 HydrophobicContact CD1-CB 4.1Å; F228-K272 HydrophobicContact CD1-CD 4.08Å; F228-K272 HydrophobicContact CD1-CG 4.49Å; F228-K272 HydrophobicContact CE1-CD 4.26Å
229F97.5Very high96Very high3 Ų341.5 Ų41.51%0.01323%0.227CC..BIsolated β-bridgetrans-148.8163.9177.251.5-108000111.3V197 F223 N226 N231 L234 I266 D267 W268 F304V197-F229 HydrophobicContact CG1-CD1 4.21Å; V197-F229 HydrophobicContact CG1-CE1 3.45Å; V197-F229 VanDerWaalsContact CG1-CE1 3.45Å; V197-F229 HydrophobicContact CG1-CZ 4.21Å; F223-F229 HydrophobicContact CB-CE2 3.98Å; F223-F229 HydrophobicContact CB-CZ 4.22Å; F223-F229 HydrophobicContact CD1-CE2 4.33Å; F223-F229 AromaticContact CD1-CZ 3.7Å; F223-F229 HydrophobicContact CD1-CZ 3.7Å; F223-F229 AromaticContact CD2-CE2 3.98Å; F223-F229 HydrophobicContact CD2-CE2 3.98Å; F223-F229 AromaticContact CD2-CZ 3.73Å; F223-F229 HydrophobicContact CD2-CZ 3.73Å; F223-F229 AromaticContact CE1-CZ 3.91Å; F223-F229 HydrophobicContact CE1-CZ 3.91Å; F223-F229 AromaticContact CE2-CZ 3.93Å; F223-F229 HydrophobicContact CE2-CZ 3.93Å; F223-F229 AromaticContact CG-CE2 3.84Å; F223-F229 HydrophobicContact CG-CE2 3.84Å; F223-F229 AromaticContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CG-CZ 3.6Å; F223-F229 HydrophobicContact CZ-CZ 4.02Å; N226-F229 PolarHBondContact OD1-N 3.4Å; N226-F229 VanDerWaalsContact OD1-N 3.09Å; N226-F229 PolarHBondContact OD1-O 3.33Å; F229-N231 HydrophobicContact CD2-CB 3.92Å; F229-N231 VanDerWaalsContact CD2-O 3.31Å; F229-N231 WeakPolarHBondContact CD2-O 3Å; F229-N231 HydrophobicContact CE2-CB 4.33Å; F229-N231 VanDerWaalsContact CE2-O 3.24Å; F229-N231 WeakPolarHBondContact CE2-O 3.33Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CG 4.46Å; F229-I266 HydrophobicContact CB-CG2 3.66Å; F229-I266 HydrophobicContact CD1-CG2 3.59Å; F229-I266 HydrophobicContact CE1-CG2 4.37Å; F229-I266 HydrophobicContact CG-CG2 3.72Å; F229-D267 VanDerWaalsContact CA-O 3.24Å; F229-D267 WeakPolarHBondContact CA-O 3.13Å; F229-D267 WeakPolarHBondContact CB-O 2.96Å; F229-W268 HydrophobicContact CB-CE3 4.47Å; F229-W268 HydrophobicContact CD1-CE3 4.14Å; F229-W268 HydrophobicContact CD1-CH2 4.19Å; F229-W268 AromaticContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CE1-CZ3 4.48Å; F229-F304 HydrophobicContact CE1-CE1 4.06Å
230T97.1Very high95.7Very high104 Ų10442.5 Ų42.564%0.63823%0.232SC*.SBendtrans-91.4-11.5-178.853.30000114.4D267T230-D267 PolarHBondContact N-O 2.99Å; T230-D267 VanDerWaalsContact N-O 3.17Å; T230-D267 VanDerWaalsContact OG1-CB 3.27Å; T230-D267 WeakPolarHBondContact OG1-CB 3.37Å
231N96.1Very high95.2Very high27 Ų2745.3 Ų45.314%0.14424%0.242CC..  trans-64.7135.6178.5-50.384.6000110.4F229 L234 D267F229-N231 HydrophobicContact CD2-CB 3.92Å; F229-N231 VanDerWaalsContact CD2-O 3.31Å; F229-N231 WeakPolarHBondContact CD2-O 3Å; F229-N231 HydrophobicContact CE2-CB 4.33Å; F229-N231 VanDerWaalsContact CE2-O 3.24Å; F229-N231 WeakPolarHBondContact CE2-O 3.33Å; N231-L234 HydrophobicContact CB-CD2 3.63Å; N231-D267 PolarHBondContact ND2-OD2 3.35Å; N231-D267 WeakPolarHBondContact OD1-CB 3.2Å; N231-D267 PolarHBondContact OD1-N 2.9Å
232T96.7Very high94.7Very high92 Ų9245.8 Ų45.856%0.56425%0.245SC*.SBendtrans-91.4-21.2169.957.20000111.8H222 F223H222-T232 WeakPolarHBondContact CA-O 3.33Å; F223-T232 PolarHBondContact N-O 3.17Å
233V96.5Very high94.2Very high44 Ų4449.8 Ų49.827%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-137.6126.5178-172.80000108.9E220 F221 H222E220-V233 HydrophobicContact CB-CG1 3.82Å; E220-V233 HydrophobicContact CG-CG1 4.13Å; F221-V233 CarbonylContact O-C 3.55Å; F221-V233 VanDerWaalsContact O-CA 3.27Å; F221-V233 WeakPolarHBondContact O-CA 3.46Å; H222-V233 WeakPolarHBondContact ND1-CG2 3.5Å
234L95.9Very high93.7Very high0 Ų050.2 Ų50.20%027%0.267CS..EExtended strand (participates in β ladder)trans-100.9126.7165.3-56.7-176.5000108.2F221 F223 F229 N231 I266 F304 F307F221-L234 HydrophobicContact CB-CB 4.33Å; F221-L234 PolarHBondContact N-O 3.05Å; F221-L234 PolarHBondContact O-N 3.42Å; F223-L234 HydrophobicContact CD2-CD1 4.41Å; F223-L234 HydrophobicContact CD2-CG 4.19Å; F223-L234 HydrophobicContact CE2-CB 4.31Å; F223-L234 HydrophobicContact CE2-CD1 3.74Å; F223-L234 HydrophobicContact CE2-CG 3.88Å; F223-L234 HydrophobicContact CZ-CD1 4.32Å; F229-L234 HydrophobicContact CE1-CD1 4.25Å; F229-L234 HydrophobicContact CZ-CD1 4.02Å; F229-L234 HydrophobicContact CZ-CG 4.46Å; N231-L234 HydrophobicContact CB-CD2 3.63Å; L234-I266 HydrophobicContact CD1-CD1 4.01Å; L234-I266 HydrophobicContact CD1-CG1 4.09Å; L234-I266 HydrophobicContact CD2-CG1 3.97Å; L234-I266 HydrophobicContact CD2-CG2 4.45Å; L234-F304 HydrophobicContact CD1-CD1 4.06Å; L234-F304 HydrophobicContact CD1-CE1 4.08Å; L234-F307 HydrophobicContact CB-CD1 3.9Å; L234-F307 HydrophobicContact CB-CD2 4.49Å; L234-F307 HydrophobicContact CB-CE1 3.53Å; L234-F307 HydrophobicContact CB-CE2 4.17Å; L234-F307 HydrophobicContact CB-CG 4.36Å; L234-F307 HydrophobicContact CB-CZ 3.68Å; L234-F307 HydrophobicContact CD1-CD2 3.95Å; L234-F307 HydrophobicContact CD1-CE2 3.73Å; L234-F307 HydrophobicContact CD1-CG 4.46Å; L234-F307 HydrophobicContact CD1-CZ 4.07Å
235S94.1Very high93.2Very high39 Ų3949.2 Ų49.227%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-124.6137.5-17263.40000111.9L219 C264L219-S235 CarbonylContact O-C 3.58Å; L219-S235 WeakPolarHBondContact O-CA 3.39Å; S235-C264 PolarHBondContact N-SG 3.06Å; S235-C264 VanDerWaalsContact O-CB 3.29Å; S235-C264 WeakPolarHBondContact O-CB 3.49Å
236K93.4Very high92.6Very high2 Ų252.6 Ų52.61%0.00927%0.269CS..EExtended strand (participates in β ladder)trans-129.8123.2174.8-165174.3-162.8-69.80109.8T218 L219 Y238 F306 F307 D330T218-K236 CarbonylContact C-O 3.43Å; T218-K236 VanDerWaalsContact CA-O 3.31Å; T218-K236 WeakPolarHBondContact CA-O 3.48Å; L219-K236 PolarHBondContact N-O 3.28Å; L219-K236 PolarHBondContact O-N 3.15Å; K236-Y238 HydrophobicContact CD-CE2 4.12Å; K236-Y238 HydrophobicContact CG-CE2 4.1Å; K236-Y238 PolarHBondContact NZ-OH 3.47Å; K236-F306 HydrophobicContact CB-CE1 4.41Å; K236-F306 HydrophobicContact CD-CD1 3.78Å; K236-F306 HydrophobicContact CD-CD2 4.21Å; K236-F306 HydrophobicContact CD-CE1 3.4Å; K236-F306 HydrophobicContact CD-CE2 3.88Å; K236-F306 HydrophobicContact CD-CG 4.18Å; K236-F306 HydrophobicContact CD-CZ 3.47Å; K236-F306 VanDerWaalsContact CD-CZ 3.47Å; K236-F306 WeakPolarHBondContact CD-O 3.28Å; K236-F306 WeakPolarHBondContact CE-O 3.43Å; K236-F307 HydrophobicContact CB-CD1 4.46Å; K236-D330 WeakPolarHBondContact CE-OD1 3.29Å; K236-D330 IonicContact NZ-OD1 2.71Å; K236-D330 PolarHBondContact NZ-OD1 3.24Å; K236-D330 IonicContact NZ-OD2 3.64Å; K236-D330 PolarHBondContact NZ-OD2 3.18Å
237T93.1Very high92.1Very high29 Ų2956.6 Ų56.618%0.17830%0.299CS..EExtended strand (participates in β ladder)trans-107136.4-177.6-53.10000110.3F217 T218 C260 V261F217-T237 CarbonylContact O-C 3.58Å; F217-T237 WeakPolarHBondContact O-CA 3.38Å; T218-T237 WeakPolarHBondContact CG2-OG1 3.12Å; T218-T237 WeakPolarHBondContact OG1-CG2 3.38Å; T218-T237 PolarHBondContact OG1-OG1 3.29Å; T237-C260 CarbonylContact O-C 3.58Å; T237-C260 VanDerWaalsContact O-CA 3.3Å; T237-C260 WeakPolarHBondContact O-CA 3.42Å; T237-V261 WeakPolarHBondContact CA-O 3.38Å; T237-V261 WeakPolarHBondContact CB-O 3.14Å; T237-V261 PolarHBondContact N-O 3.4Å; T237-V261 PolarHBondContact O-N 3.37Å; T237-V261 VanDerWaalsContact O-O 3.11Å
238Y93Very high91.6Very high0 Ų055.1 Ų55.10%030%0.295CS..EExtended strand (participates in β ladder)trans-115.1124.1175.1-66.5-83.5000108.8S216 F217 L219 K236 I257 C260 F306 D330 F331 G334S216-Y238 CarbonylContact C-O 3.24Å; S216-Y238 WeakPolarHBondContact CA-O 3.43Å; S216-Y238 WeakPolarHBondContact CB-O 3.38Å; F217-Y238 HydrophobicContact CD2-CD2 4.17Å; F217-Y238 HydrophobicContact CE1-CD2 4.27Å; F217-Y238 HydrophobicContact CE1-CG 4.17Å; F217-Y238 AromaticContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CD2 3.43Å; F217-Y238 VanDerWaalsContact CE2-CD2 3.43Å; F217-Y238 HydrophobicContact CE2-CE2 4.11Å; F217-Y238 HydrophobicContact CE2-CG 4.15Å; F217-Y238 AromaticContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CD2 3.5Å; F217-Y238 VanDerWaalsContact CZ-CD2 3.5Å; F217-Y238 HydrophobicContact CZ-CE2 4.29Å; F217-Y238 AromaticContact CZ-CG 3.75Å; F217-Y238 HydrophobicContact CZ-CG 3.75Å; F217-Y238 PolarHBondContact N-O 2.95Å; F217-Y238 PolarHBondContact O-N 3.25Å; L219-Y238 HydrophobicContact CD1-CE2 4.02Å; L219-Y238 HydrophobicContact CG-CE2 4.41Å; K236-Y238 HydrophobicContact CD-CE2 4.12Å; K236-Y238 HydrophobicContact CG-CE2 4.1Å; K236-Y238 PolarHBondContact NZ-OH 3.47Å; Y238-I257 HydrophobicContact CD1-CD1 4.1Å; Y238-I257 HydrophobicContact CD1-CG2 3.57Å; Y238-I257 HydrophobicContact CE1-CG2 4.45Å; Y238-I257 HydrophobicContact CG-CD1 4.29Å; Y238-I257 HydrophobicContact CG-CG2 4.26Å; Y238-C260 HydrophobicContact CD1-CB 4.11Å; Y238-C260 HydrophobicContact CE1-CB 4.17Å; Y238-F306 VanDerWaalsContact OH-CE2 3.26Å; Y238-F306 WeakPolarHBondContact OH-CE2 3.16Å; Y238-F306 VanDerWaalsContact OH-CZ 3.27Å; Y238-F306 WeakPolarHBondContact OH-CZ 3.47Å; Y238-D330 WeakPolarHBondContact CE1-OD2 3.29Å; Y238-D330 PolarHBondContact OH-O 2.87Å; Y238-F331 HydrophobicContact CD1-CD1 4.12Å; Y238-F331 HydrophobicContact CD1-CE1 4.45Å; Y238-F331 AromaticContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CE1 4.39Å; Y238-G334 WeakPolarHBondContact OH-CA 3.46Å
239K91.6Very high91Very high97 Ų9755.3 Ų55.342%0.42230%0.298SS..EExtended strand (participates in β ladder)trans-88.9133171.2-72-178.9172172.30108.8M258 S259 V261K239-M258 PolarHBondContact O-N 3.21Å; K239-S259 PolarHBondContact N-O 3.38Å; K239-V261 HydrophobicContact CD-CG2 3.61Å; K239-V261 HydrophobicContact CG-CG2 3.95Å
240M90.6Very high90.5Very high21 Ų2160.1 Ų60.110%0.10332%0.319CS..EExtended strand (participates in β ladder)trans-115.3155.9-179.3-59.3175.27400110.6M215 F217 P255 E256 I257 R338M215-M240 HydrophobicContact CB-CB 4.16Å; M215-M240 HydrophobicContact CG-CB 3.77Å; M215-M240 HydrophobicContact CG-CG 4.5Å; M215-M240 HydrophobicContact CG-SD 4.24Å; M215-M240 PolarHBondContact O-N 3.49Å; M215-M240 HydrophobicContact SD-CB 3.73Å; M215-M240 HydrophobicContact SD-CE 4.22Å; M215-M240 HydrophobicContact SD-SD 4.15Å; F217-M240 HydrophobicContact CD1-CG 4.3Å; F217-M240 HydrophobicContact CD1-SD 3.59Å; F217-M240 VanDerWaalsContact CD1-SD 3.59Å; F217-M240 HydrophobicContact CE1-CG 4.28Å; F217-M240 HydrophobicContact CE1-SD 3.75Å; M240-P255 HydrophobicContact CE-CB 3.65Å; M240-E256 CarbonylContact C-O 3.55Å; M240-E256 WeakPolarHBondContact CA-O 3.3Å; M240-I257 HydrophobicContact CG-CG1 4.2Å; M240-R338 PolarHBondContact SD-NH1 3.25Å
241R86.8Confident90Very high89 Ų8958 Ų5834%0.33631%0.308SS..EExtended strand (participates in β ladder)trans-128.1135.4171.4178.9-167.4-64.7-176.2-0.7108.7E243 D245 P255 E256 M258R241-E243 WeakPolarHBondContact CD-O 3.48Å; R241-E243 HydrophobicContact CG-CB 4.16Å; R241-E243 WeakPolarHBondContact CG-O 3.45Å; R241-D245 IonicContact NH1-OD2 3.65Å; R241-D245 PolarHBondContact NH1-OD2 3.19Å; R241-P255 WeakPolarHBondContact O-CA 3.23Å; R241-E256 PolarHBondContact N-O 3.03Å; R241-E256 PolarHBondContact O-N 3.09Å; R241-M258 HydrophobicContact CB-CG 3.6Å; R241-M258 HydrophobicContact CB-SD 3.58Å; R241-M258 VanDerWaalsContact CB-SD 3.58Å; R241-M258 HydrophobicContact CG-SD 4.26Å; R241-M258 PolarHBondContact NE-SD 3.13Å; R241-M258 PolarHBondContact NH2-SD 2.85Å
242S86.5Confident89.6Confident11 Ų1157.7 Ų57.78%0.07731%0.306CS..  trans-105.8-10.6170.9500000113A94 E98 F252A94-S242 WeakPolarHBondContact CA-O 3.38Å; A94-S242 WeakPolarHBondContact CB-O 3.23Å; E98-S242 WeakPolarHBondContact CG-OG 3.33Å; S242-F252 WeakPolarHBondContact O-CE2 3.37Å; S242-F252 WeakPolarHBondContact O-CZ 3.38Å
243E86.7Confident89Confident128 Ų12860.2 Ų60.260%0.59832%0.316SS*.SBendtrans-80.3136.5178.1-65.4-178.6161.400111.4R241R241-E243 WeakPolarHBondContact CD-O 3.48Å; R241-E243 HydrophobicContact CG-CB 4.16Å; R241-E243 WeakPolarHBondContact CG-O 3.45Å
244P87.1Confident88.5Confident14 Ų1458.3 Ų58.39%0.09131%0.305CS..PPolyproline II helixtrans-62147.3174.1-19.833.1000111.1A90 A94 P249 F252A90-P244 HydrophobicContact CB-CB 4.33Å; A90-P244 HydrophobicContact CB-CG 3.78Å; A94-P244 HydrophobicContact CB-CG 4.49Å; P244-P249 HydrophobicContact CB-CB 4.4Å; P244-F252 HydrophobicContact CB-CB 3.94Å; P244-F252 HydrophobicContact CB-CD2 4.32Å; P244-F252 HydrophobicContact CB-CG 4.09Å; P244-F252 HydrophobicContact CG-CB 4.31Å; P244-F252 HydrophobicContact CG-CD1 4.23Å; P244-F252 HydrophobicContact CG-CD2 4.22Å; P244-F252 HydrophobicContact CG-CG 3.97Å
245D85.9Confident88Confident54 Ų5460.4 Ų60.429%0.28932%0.318SS..PPolyproline II helixtrans-69.1135.8176.3-164.5-79.8000111.4R241 S247 D248 P249R241-D245 IonicContact NH1-OD2 3.65Å; R241-D245 PolarHBondContact NH1-OD2 3.19Å; D245-S247 VanDerWaalsContact C-N 3.29Å; D245-S247 PolarHBondContact O-N 2.88Å; D245-S247 WeakPolarHBondContact OD1-CA 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.3Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 2.75Å; D245-S247 PolarHBondContact OD1-OG 3.25Å; D245-D248 CarbonylContact O-C 3.57Å; D245-D248 VanDerWaalsContact O-C 3.29Å; D245-D248 PolarHBondContact OD1-N 3.22Å; D245-P249 WeakPolarHBondContact O-CA 3.48Å; D245-P249 WeakPolarHBondContact O-CB 3.47Å; D245-P249 WeakPolarHBondContact O-CD 3.31Å
246E84.9Confident87.7Confident197 Ų19763.1 Ų63.192%0.92133%0.327SS*.SBendtrans-68.2-29.7179.9-66.6-169.7166.900112.8
247S85.2Confident87.4Confident110 Ų11064.2 Ų64.277%0.76933%0.332SS*.SBendtrans-84.8-29.4-179.773.30000112.7D245D245-S247 VanDerWaalsContact C-N 3.29Å; D245-S247 PolarHBondContact O-N 2.88Å; D245-S247 WeakPolarHBondContact OD1-CA 3.16Å; D245-S247 VanDerWaalsContact OD1-CB 3.3Å; D245-S247 WeakPolarHBondContact OD1-CB 3.35Å; D245-S247 PolarHBondContact OD1-N 2.75Å; D245-S247 PolarHBondContact OD1-OG 3.25Å
248D86.9Confident87Confident78 Ų7867.3 Ų67.342%0.41735%0.346SS..  trans-139.876.4173-167.29.5000112.5D245 F250 S251D245-D248 CarbonylContact O-C 3.57Å; D245-D248 VanDerWaalsContact O-C 3.29Å; D245-D248 PolarHBondContact OD1-N 3.22Å; D248-F250 PolarHBondContact O-N 2.86Å; D248-F250 VanDerWaalsContact O-N 3.13Å; D248-S251 PolarHBondContact O-N 3.39Å; D248-S251 PolarHBondContact O-OG 3.13Å
249P85.9Confident86.6Confident23 Ų2368.6 Ų68.615%0.14936%0.355CS..THydrogen-bonded Turntrans-73-6.1-175.928.3-36.2000113.8V87 P244 D245V87-P249 HydrophobicContact CG1-CB 4.2Å; V87-P249 HydrophobicContact CG2-CB 4.03Å; V87-P249 HydrophobicContact CG2-CG 3.79Å; P244-P249 HydrophobicContact CB-CB 4.4Å; D245-P249 WeakPolarHBondContact O-CA 3.48Å; D245-P249 WeakPolarHBondContact O-CB 3.47Å; D245-P249 WeakPolarHBondContact O-CD 3.31Å
250F87.3Confident86.2Confident104 Ų10465.2 Ų65.246%0.45634%0.343SS..THydrogen-bonded Turntrans-95.2-9.4-179.4-55.9-71000113K83 Q86 V87 D248 F252K83-F250 HydrophobicContact CB-CE1 4.25Å; K83-F250 HydrophobicContact CB-CZ 3.86Å; K83-F250 HydrophobicContact CD-CZ 4.32Å; K83-F250 HydrophobicContact CG-CZ 4.24Å; Q86-F250 HydrophobicContact CB-CD1 4.49Å; Q86-F250 HydrophobicContact CB-CE1 4.03Å; Q86-F250 HydrophobicContact CG-CD1 4.02Å; Q86-F250 HydrophobicContact CG-CE1 4.08Å; V87-F250 HydrophobicContact CG2-CE1 3.71Å; V87-F250 HydrophobicContact CG2-CE2 4.46Å; V87-F250 HydrophobicContact CG2-CZ 3.64Å; D248-F250 PolarHBondContact O-N 2.86Å; D248-F250 VanDerWaalsContact O-N 3.13Å; F250-F252 VanDerWaalsContact C-N 3.29Å
251S85.8Confident85.3Confident58 Ų5867 Ų6741%0.40636%0.355SS..SBendtrans-79.5-12.6172.5620000113.1D248 D253D248-S251 PolarHBondContact O-N 3.39Å; D248-S251 PolarHBondContact O-OG 3.13Å; S251-D253 PolarHBondContact O-N 2.9Å
252F87.2Confident83.9Confident21 Ų2164.7 Ų64.79%0.09236%0.359CS..  trans-61.8115.7-179.3-178.4-102.8000111.8A90 E93 A94 Y97 S242 P244 F250 G254A90-F252 HydrophobicContact CB-CD1 4.07Å; E93-F252 HydrophobicContact CB-CE1 3.88Å; A94-F252 HydrophobicContact CB-CZ 4.19Å; Y97-F252 HydrophobicContact CD2-CE1 4.39Å; Y97-F252 HydrophobicContact CD2-CZ 4.05Å; Y97-F252 HydrophobicContact CE2-CE1 4.47Å; Y97-F252 HydrophobicContact CE2-CZ 4.44Å; S242-F252 WeakPolarHBondContact O-CE2 3.37Å; S242-F252 WeakPolarHBondContact O-CZ 3.38Å; P244-F252 HydrophobicContact CB-CB 3.94Å; P244-F252 HydrophobicContact CB-CD2 4.32Å; P244-F252 HydrophobicContact CB-CG 4.09Å; P244-F252 HydrophobicContact CG-CB 4.31Å; P244-F252 HydrophobicContact CG-CD1 4.23Å; P244-F252 HydrophobicContact CG-CD2 4.22Å; P244-F252 HydrophobicContact CG-CG 3.97Å; F250-F252 VanDerWaalsContact C-N 3.29Å; F252-G254 WeakPolarHBondContact CE2-O 3.41Å
253D84.7Confident82.8Confident146 Ų14671.7 Ų71.778%0.78138%0.384SS*.  trans-123.215.6176.5-162.526.6000112.4S251S251-D253 PolarHBondContact O-N 2.9Å
254G86.5Confident82.4Confident3 Ų366.4 Ų66.43%0.03136%0.361CS..SBendtrans123.3-162.1179.600000113.4Y97 F252 E256Y97-G254 VanDerWaalsContact CE2-CA 3.5Å; F252-G254 WeakPolarHBondContact CE2-O 3.41Å; G254-E256 PolarHBondContact O-N 2.92Å
255P85.8Confident82.5Confident44 Ų4470.1 Ų70.129%0.28638%0.383SS..  trans-69.3119.6-177.5-24.438.2000111.4Y97 M215 M240 R241Y97-P255 HydrophobicContact CD1-CG 3.55Å; Y97-P255 HydrophobicContact CD2-CG 4.36Å; Y97-P255 HydrophobicContact CE1-CG 4.3Å; Y97-P255 VanDerWaalsContact CG-CD 3.43Å; Y97-P255 HydrophobicContact CG-CG 3.58Å; M215-P255 HydrophobicContact SD-CB 4.18Å; M240-P255 HydrophobicContact CE-CB 3.65Å; R241-P255 WeakPolarHBondContact O-CA 3.23Å
256E85.8Confident82.8Confident97 Ų9768.2 Ų68.245%0.45337%0.373SS..EExtended strand (participates in β ladder)trans-110.5144.2-178.9-70.4172.2-151.500110.8M240 R241 G254 M258M240-E256 CarbonylContact C-O 3.55Å; M240-E256 WeakPolarHBondContact CA-O 3.3Å; R241-E256 PolarHBondContact N-O 3.03Å; R241-E256 PolarHBondContact O-N 3.09Å; G254-E256 PolarHBondContact O-N 2.92Å; E256-M258 PolarHBondContact O-N 3.18Å
257I87.8Confident83.3Confident24 Ų2462.7 Ų62.712%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-73.9112.6169.7-64.4175.2000107.6F217 Y238 M240 F331 H335F217-I257 HydrophobicContact CE1-CD1 4.07Å; F217-I257 HydrophobicContact CE1-CG1 4.32Å; F217-I257 HydrophobicContact CZ-CD1 4.01Å; Y238-I257 HydrophobicContact CD1-CD1 4.1Å; Y238-I257 HydrophobicContact CD1-CG2 3.57Å; Y238-I257 HydrophobicContact CE1-CG2 4.45Å; Y238-I257 HydrophobicContact CG-CD1 4.29Å; Y238-I257 HydrophobicContact CG-CG2 4.26Å; M240-I257 HydrophobicContact CG-CG1 4.2Å; I257-F331 HydrophobicContact CB-CB 4.2Å; I257-F331 HydrophobicContact CB-CD1 4.39Å; I257-F331 HydrophobicContact CB-CD2 3.92Å; I257-F331 HydrophobicContact CB-CE2 4.39Å; I257-F331 HydrophobicContact CB-CG 3.91Å; I257-F331 HydrophobicContact CD1-CB 4.05Å; I257-F331 WeakPolarHBondContact CD1-O 3.47Å; I257-F331 HydrophobicContact CG2-CB 4.23Å; I257-F331 HydrophobicContact CG2-CD1 3.53Å; I257-F331 HydrophobicContact CG2-CD2 3.76Å; I257-F331 HydrophobicContact CG2-CE1 3.71Å; I257-F331 HydrophobicContact CG2-CE2 3.93Å; I257-F331 HydrophobicContact CG2-CG 3.55Å; I257-F331 HydrophobicContact CG2-CZ 3.91Å; I257-F331 WeakPolarHBondContact O-CD2 3.46Å; I257-F331 WeakPolarHBondContact O-CE2 3.4Å; I257-H335 HydrophobicContact CD1-CB 4.4Å
258M84.9Confident83.8Confident94 Ų9459.7 Ų59.746%0.46332%0.322SS..EExtended strand (participates in β ladder)trans-80.9-40.3179.4-81.9-164.763.600113.1K239 R241 E256K239-M258 PolarHBondContact O-N 3.21Å; R241-M258 HydrophobicContact CB-CG 3.6Å; R241-M258 HydrophobicContact CB-SD 3.58Å; R241-M258 VanDerWaalsContact CB-SD 3.58Å; R241-M258 HydrophobicContact CG-SD 4.26Å; R241-M258 PolarHBondContact NE-SD 3.13Å; R241-M258 PolarHBondContact NH2-SD 2.85Å; E256-M258 PolarHBondContact O-N 3.18Å
259S84.8Confident84.3Confident28 Ų2858.2 Ų58.220%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-162.9150.2-17256.50000110.2K239K239-S259 PolarHBondContact N-O 3.38Å
260C82.2Confident84.7Confident25 Ų2567.1 Ų67.117%0.16935%0.352CS..EExtended strand (participates in β ladder)trans-92.7135.3165.754.80000109.7T237 Y238 P309 F331T237-C260 CarbonylContact O-C 3.58Å; T237-C260 VanDerWaalsContact O-CA 3.3Å; T237-C260 WeakPolarHBondContact O-CA 3.42Å; Y238-C260 HydrophobicContact CD1-CB 4.11Å; Y238-C260 HydrophobicContact CE1-CB 4.17Å; C260-P309 HydrophobicContact CB-CG 4.31Å; C260-P309 WeakPolarHBondContact SG-CG 3.4Å; C260-F331 HydrophobicContact CB-CE1 4.35Å
261V72.1Confident84.8Confident59 Ų5966 Ų6636%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-123.2143.2177.5-179.80000109.1T237 K239T237-V261 WeakPolarHBondContact CA-O 3.38Å; T237-V261 WeakPolarHBondContact CB-O 3.14Å; T237-V261 PolarHBondContact N-O 3.4Å; T237-V261 PolarHBondContact O-N 3.37Å; T237-V261 VanDerWaalsContact O-O 3.11Å; K239-V261 HydrophobicContact CD-CG2 3.61Å; K239-V261 HydrophobicContact CG-CG2 3.95Å
262G58Low85.3Confident40 Ų4066.3 Ų66.341%0.41236%0.364SS..  trans90.573.417800000111.3C264G262-C264 VanDerWaalsContact C-N 3.25Å; G262-C264 PolarHBondContact O-N 3.39Å
263R64Low85.7Confident159 Ų15967.4 Ų67.460%0.637%0.371SS*.  trans-5396.7157.3-170.7-174.7-154.6162.713.2107.3T265 T308 E311R263-T265 PolarHBondContact O-N 3.03Å; R263-T308 HydrophobicContact CG-CG2 4.36Å; R263-E311 IonicContact NH1-OE1 3.91Å
264C78.3Confident86.2Confident17 Ų1761.3 Ų61.312%0.11534%0.339CS..  trans-74.1100.5174.8-167.10000106.1S235 G262 I266 F307S235-C264 PolarHBondContact N-SG 3.06Å; S235-C264 VanDerWaalsContact O-CB 3.29Å; S235-C264 WeakPolarHBondContact O-CB 3.49Å; G262-C264 VanDerWaalsContact C-N 3.25Å; G262-C264 PolarHBondContact O-N 3.39Å; C264-I266 PolarHBondContact O-N 3.11Å; C264-F307 HydrophobicContact CB-CB 4.29Å; C264-F307 HydrophobicContact CB-CD1 4.31Å; C264-F307 PolarHBondContact N-O 3.22Å
265T87.4Confident86.6Confident91 Ų9162 Ų6256%0.55834%0.342SS*.  trans-69.4111.5177.5-59.20000107.3R263 D267R263-T265 PolarHBondContact O-N 3.03Å; T265-D267 PolarHBondContact O-N 3.35Å
266I93.8Very high87Confident14 Ų1463.3 Ų63.37%0.07235%0.346CS..  trans-75.1118.3175.6-51.9175.1000107.9F229 L234 C264 W268 F304 F307F229-I266 HydrophobicContact CB-CG2 3.66Å; F229-I266 HydrophobicContact CD1-CG2 3.59Å; F229-I266 HydrophobicContact CE1-CG2 4.37Å; F229-I266 HydrophobicContact CG-CG2 3.72Å; L234-I266 HydrophobicContact CD1-CD1 4.01Å; L234-I266 HydrophobicContact CD1-CG1 4.09Å; L234-I266 HydrophobicContact CD2-CG1 3.97Å; L234-I266 HydrophobicContact CD2-CG2 4.45Å; C264-I266 PolarHBondContact O-N 3.11Å; I266-W268 HydrophobicContact CB-CD2 4.45Å; I266-W268 HydrophobicContact CB-CZ2 4.23Å; I266-W268 HydrophobicContact CD1-CZ2 3.69Å; I266-W268 HydrophobicContact CG2-CD2 3.74Å; I266-W268 VanDerWaalsContact CG2-CE2 3.46Å; I266-W268 HydrophobicContact CG2-CE3 4.3Å; I266-W268 HydrophobicContact CG2-CG 4.09Å; I266-W268 HydrophobicContact CG2-CH2 4.28Å; I266-W268 HydrophobicContact CG2-CZ2 3.77Å; I266-W268 PolarHBondContact O-N 2.88Å; I266-F304 HydrophobicContact CD1-CB 3.84Å; I266-F304 HydrophobicContact CD1-CD1 3.85Å; I266-F304 HydrophobicContact CD1-CG 4.26Å; I266-F307 HydrophobicContact CD1-CB 4.25Å; I266-F307 HydrophobicContact CD1-CD2 4.05Å; I266-F307 HydrophobicContact CD1-CG 4.47Å; I266-F307 HydrophobicContact CG1-CB 4.48Å
267D95.3Very high87.2Confident82 Ų8263.4 Ų63.444%0.43935%0.345SS..  trans-81.266.5179.5-64-51.8000110.1F229 T230 N231 T265 T269F229-D267 VanDerWaalsContact CA-O 3.24Å; F229-D267 WeakPolarHBondContact CA-O 3.13Å; F229-D267 WeakPolarHBondContact CB-O 2.96Å; T230-D267 PolarHBondContact N-O 2.99Å; T230-D267 VanDerWaalsContact N-O 3.17Å; T230-D267 VanDerWaalsContact OG1-CB 3.27Å; T230-D267 WeakPolarHBondContact OG1-CB 3.37Å; N231-D267 PolarHBondContact ND2-OD2 3.35Å; N231-D267 WeakPolarHBondContact OD1-CB 3.2Å; N231-D267 PolarHBondContact OD1-N 2.9Å; T265-D267 PolarHBondContact O-N 3.35Å; D267-T269 PolarHBondContact O-N 3.24Å
268W96.2Very high87.3Confident47 Ų4766.5 Ų66.518%0.17837%0.365CS..BIsolated β-bridgetrans-56.5132.2-179.5-64.8102.3000111.9F228 F229 I266 K272 N273 V274 T275 F304F228-W268 HydrophobicContact CB-CE3 4.4Å; F228-W268 HydrophobicContact CB-CZ3 4.11Å; F228-W268 CarbonylContact O-C 3.54Å; F228-W268 WeakPolarHBondContact O-CA 3.15Å; F229-W268 HydrophobicContact CB-CE3 4.47Å; F229-W268 HydrophobicContact CD1-CE3 4.14Å; F229-W268 HydrophobicContact CD1-CH2 4.19Å; F229-W268 AromaticContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CD1-CZ3 3.84Å; F229-W268 HydrophobicContact CE1-CZ3 4.48Å; I266-W268 HydrophobicContact CB-CD2 4.45Å; I266-W268 HydrophobicContact CB-CZ2 4.23Å; I266-W268 HydrophobicContact CD1-CZ2 3.69Å; I266-W268 HydrophobicContact CG2-CD2 3.74Å; I266-W268 VanDerWaalsContact CG2-CE2 3.46Å; I266-W268 HydrophobicContact CG2-CE3 4.3Å; I266-W268 HydrophobicContact CG2-CG 4.09Å; I266-W268 HydrophobicContact CG2-CH2 4.28Å; I266-W268 HydrophobicContact CG2-CZ2 3.77Å; I266-W268 PolarHBondContact O-N 2.88Å; W268-K272 WeakPolarHBondContact CZ3-O 3.47Å; W268-N273 HydrophobicContact CB-CB 3.78Å; W268-N273 HydrophobicContact CD2-CB 3.87Å; W268-N273 HydrophobicContact CE3-CB 4.44Å; W268-N273 HydrophobicContact CG-CB 3.54Å; W268-N273 PolarHBondContact NE1-OD1 3.36Å; W268-V274 HydrophobicContact CH2-CB 4.5Å; W268-V274 HydrophobicContact CH2-CG2 3.47Å; W268-V274 VanDerWaalsContact CH2-CG2 3.47Å; W268-V274 HydrophobicContact CZ2-CG2 4.03Å; W268-V274 HydrophobicContact CZ3-CG1 4.4Å; W268-V274 HydrophobicContact CZ3-CG2 4.04Å; W268-T275 HydrophobicContact CZ2-CG2 3.97Å; W268-F304 HydrophobicContact CH2-CB 4.2Å; W268-F304 HydrophobicContact CH2-CD1 4.18Å; W268-F304 HydrophobicContact CH2-CD2 4.06Å; W268-F304 AromaticContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CZ2-CB 3.91Å; W268-F304 HydrophobicContact CZ2-CD1 4.43Å; W268-F304 HydrophobicContact CZ2-CG 4.06Å
269T95.9Very high87.3Confident46 Ų4666 Ų6628%0.28236%0.364SS..  trans-70.3162.5168.675.20000110.3E227 F228 D267 G271 K272E227-T269 WeakPolarHBondContact O-CB 3.32Å; E227-T269 WeakPolarHBondContact O-CG2 3.46Å; E227-T269 PolarHBondContact O-OG1 3.02Å; F228-T269 PolarHBondContact O-N 3.39Å; F228-T269 PolarHBondContact O-OG1 3.34Å; D267-T269 PolarHBondContact O-N 3.24Å; T269-G271 PolarHBondContact O-N 3.33Å; T269-K272 PolarHBondContact O-N 3Å; T269-K272 VanDerWaalsContact O-N 3.13Å; T269-K272 WeakPolarHBondContact OG1-CB 3.42Å; T269-K272 WeakPolarHBondContact OG1-CG 3.39Å
270K93.9Very high87.4Confident211 Ų21172.1 Ų72.192%0.91739%0.387SS*.THydrogen-bonded Turntrans-61113.9-170.8-175.4-178.7178.5-177.90111.9K272K270-K272 VanDerWaalsContact C-N 3.33Å
271G90.6Very high87.6Confident81 Ų8178.2 Ų78.284%0.83541%0.41SS*.THydrogen-bonded Turntrans81.410.2175.200000114.5T269T269-G271 PolarHBondContact O-N 3.33Å
272K95.7Very high88.1Confident64 Ų6483.1 Ų83.128%0.27843%0.427SS..  trans-107.83.1177.9-64.1-69.1-168.11610113.6E227 F228 W268 T269 K270 V274E227-K272 IonicContact OE1-NZ 2.88Å; E227-K272 PolarHBondContact OE1-NZ 3.06Å; E227-K272 WeakPolarHBondContact OE2-CE 3.45Å; E227-K272 IonicContact OE2-NZ 2.74Å; E227-K272 PolarHBondContact OE2-NZ 3.41Å; F228-K272 HydrophobicContact CB-CB 4.44Å; F228-K272 HydrophobicContact CD1-CB 4.1Å; F228-K272 HydrophobicContact CD1-CD 4.08Å; F228-K272 HydrophobicContact CD1-CG 4.49Å; F228-K272 HydrophobicContact CE1-CD 4.26Å; W268-K272 WeakPolarHBondContact CZ3-O 3.47Å; T269-K272 PolarHBondContact O-N 3Å; T269-K272 VanDerWaalsContact O-N 3.13Å; T269-K272 WeakPolarHBondContact OG1-CB 3.42Å; T269-K272 WeakPolarHBondContact OG1-CG 3.39Å; K270-K272 VanDerWaalsContact C-N 3.33Å; K272-V274 WeakPolarHBondContact O-CG1 3.43Å; K272-V274 PolarHBondContact O-N 3.29Å; K272-V274 VanDerWaalsContact O-N 3.1Å
273N95.4Very high89.1Confident44 Ų4487.2 Ų87.224%0.23544%0.435CS..  trans-68.2107.9174-173.3-19.8000110.2W268 T275 L276W268-N273 HydrophobicContact CB-CB 3.78Å; W268-N273 HydrophobicContact CD2-CB 3.87Å; W268-N273 HydrophobicContact CE3-CB 4.44Å; W268-N273 HydrophobicContact CG-CB 3.54Å; W268-N273 PolarHBondContact NE1-OD1 3.36Å; N273-T275 PolarHBondContact OD1-N 2.98Å; N273-T275 PolarHBondContact OD1-OG1 3.16Å; N273-L276 WeakPolarHBondContact ND2-CD1 3.35Å
274V95.8Very high89.9Confident18 Ų1886.8 Ų86.811%0.10944%0.438CS..THydrogen-bonded Turntrans-82-20.4-177.8-580000113.5D194 V197 W268 K272 L276 N300 S302 F304D194-V274 WeakPolarHBondContact OD1-CG2 3.46Å; V197-V274 HydrophobicContact CG2-CG1 4.12Å; W268-V274 HydrophobicContact CH2-CB 4.5Å; W268-V274 HydrophobicContact CH2-CG2 3.47Å; W268-V274 VanDerWaalsContact CH2-CG2 3.47Å; W268-V274 HydrophobicContact CZ2-CG2 4.03Å; W268-V274 HydrophobicContact CZ3-CG1 4.4Å; W268-V274 HydrophobicContact CZ3-CG2 4.04Å; K272-V274 WeakPolarHBondContact O-CG1 3.43Å; K272-V274 PolarHBondContact O-N 3.29Å; K272-V274 VanDerWaalsContact O-N 3.1Å; V274-L276 PolarHBondContact O-N 3.22Å; V274-N300 PolarHBondContact O-ND2 3Å; V274-N300 VanDerWaalsContact O-ND2 3.1Å; V274-S302 WeakPolarHBondContact CG2-OG 3.47Å; V274-F304 HydrophobicContact CG2-CD2 3.7Å; V274-F304 HydrophobicContact CG2-CE2 4.37Å; V274-F304 HydrophobicContact CG2-CG 4.42Å
275T94.6Very high89.7Confident16 Ų1691.8 Ų91.810%0.09846%0.459CS..THydrogen-bonded Turntrans-75.5-117677.90000113W268 N273 N300 F304 N305W268-T275 HydrophobicContact CZ2-CG2 3.97Å; N273-T275 PolarHBondContact OD1-N 2.98Å; N273-T275 PolarHBondContact OD1-OG1 3.16Å; T275-N300 PolarHBondContact O-N 3.39Å; T275-F304 HydrophobicContact CG2-CB 3.7Å; T275-N305 WeakPolarHBondContact CB-OD1 3.32Å
276L93.8Very high88.9Confident73 Ų7397.3 Ų97.338%0.38248%0.475SS..EExtended strand (participates in β ladder)trans-133131-177.7-66.5-177.6000111.5N273 V274 T297 V298N273-L276 WeakPolarHBondContact ND2-CD1 3.35Å; V274-L276 PolarHBondContact O-N 3.22Å; L276-T297 HydrophobicContact CB-CG2 3.59Å; L276-T297 HydrophobicContact CD1-CG2 3.82Å; L276-T297 HydrophobicContact CD2-CG2 4.18Å; L276-T297 HydrophobicContact CG-CG2 4.08Å; L276-V298 WeakPolarHBondContact CA-O 3.49Å
277K91.8Very high88Confident98 Ų98100.8 Ų100.843%0.42652%0.515SS..EExtended strand (participates in β ladder)trans-109.4142.2173.365.7-178.2162.7-151.60112.2T297 V298 N300K277-T297 WeakPolarHBondContact O-CA 3.34Å; K277-V298 HydrophobicContact CD-CG2 4.12Å; K277-V298 HydrophobicContact CG-CG2 3.43Å; K277-V298 VanDerWaalsContact CG-CG2 3.43Å; K277-V298 PolarHBondContact N-O 3.39Å; K277-V298 PolarHBondContact O-N 3.02Å; K277-N300 HydrophobicContact CB-CB 4.06Å; K277-N300 HydrophobicContact CD-CB 4.47Å; K277-N300 WeakPolarHBondContact CD-OD1 3.41Å; K277-N300 HydrophobicContact CG-CB 4.16Å
278T88Confident87Confident90 Ų90106.7 Ų106.755%0.55253%0.531SS*.EExtended strand (participates in β ladder)trans-98.8111.5-176.7-64.50000111.3T295T278-T295 HydrophobicContact CG2-CG2 3.05Å
279I86.6Confident86Confident84 Ų84106.7 Ų106.743%0.43155%0.546SS..EExtended strand (participates in β ladder)trans-104125.1179.9-56179000110.2K281 K296 V298I279-K281 PolarHBondContact O-N 3.18Å; I279-K296 PolarHBondContact N-O 3.11Å; I279-K296 PolarHBondContact O-N 3.35Å; I279-V298 HydrophobicContact CD1-CG1 4.26Å; I279-V298 HydrophobicContact CD1-CG2 3.46Å; I279-V298 VanDerWaalsContact CD1-CG2 3.46Å; I279-V298 HydrophobicContact CG1-CG2 4.02Å
280K87Confident85Confident155 Ų155108 Ų10867%0.67455%0.554SS**EExtended strand (participates in β ladder)trans-89.3104.3175.7-70.9178.4-173.9171.60110.3T293K280-T293 HydrophobicContact CB-CG2 3.71Å; K280-T293 HydrophobicContact CD-CG2 4.3Å; K280-T293 HydrophobicContact CG-CG2 4.09Å
281K84.6Confident84.2Confident153 Ų153101.9 Ų101.967%0.66553%0.534SS*.EExtended strand (participates in β ladder)trans-95.5120.1176.2-164.5168-175.8169.80110.3I279 Q283 V294I279-K281 PolarHBondContact O-N 3.18Å; K281-Q283 PolarHBondContact O-N 2.93Å; K281-V294 PolarHBondContact N-O 3.16Å; K281-V294 PolarHBondContact O-N 3.1Å
282K83.9Confident83.9Confident163 Ų163107 Ų10771%0.70953%0.528SS*.EExtended strand (participates in β ladder)trans-76.2114.8173-71.5-179.2-178.21750109.3V291K282-V291 HydrophobicContact CB-CG1 3.87Å; K282-V291 HydrophobicContact CD-CG1 4.35Å; K282-V291 HydrophobicContact CG-CG1 4.18Å
283Q78.8Confident83.2Confident126 Ų126107.8 Ų107.859%0.58954%0.538SS*.EExtended strand (participates in β ladder)trans-104.1119.9176.7-166.8175.1-7.500109.5K281 R292 V294K281-Q283 PolarHBondContact O-N 2.93Å; Q283-R292 PolarHBondContact N-O 2.94Å; Q283-R292 PolarHBondContact O-N 3.41Å; Q283-V294 HydrophobicContact CB-CG2 4.29Å
284K79.6Confident82.6Confident150 Ų150108.8 Ų108.865%0.65255%0.545SS*.EExtended strand (participates in β ladder)trans-93.3123.5175.7-168.5175.7-177.3179.10109.3K286 V291K284-K286 PolarHBondContact O-N 2.87Å; K284-V291 HydrophobicContact CB-CG2 4.46Å; K284-V291 HydrophobicContact CG-CG2 4.25Å
285H75Confident82.1Confident121 Ų121111.9 Ų111.956%0.5657%0.565SS**  trans-68.9121.2177-167.8-72.4000110.1G287 R288 T290H285-G287 PolarHBondContact O-N 3.14Å; H285-R288 PolarHBondContact O-N 3.29Å; H285-T290 PolarHBondContact N-O 3.22Å; H285-T290 VanDerWaalsContact N-O 3.11Å
286K70.9Confident81.7Confident207 Ų207117.5 Ų117.590%0.959%0.588SS**THydrogen-bonded Turntrans-63.1107.2172-68.8-174.8178-179.40107.7K284K284-K286 PolarHBondContact O-N 2.87Å
287G74.3Confident81.4Confident87 Ų87117.6 Ų117.690%0.89759%0.591SS**THydrogen-bonded Turntrans118-32.2176.600000116.8H285H285-G287 PolarHBondContact O-N 3.14Å
288R75.6Confident81.4Confident207 Ų207114.2 Ų114.278%0.78158%0.579SS**THydrogen-bonded Turntrans-109.8-5-175.6-146175.3-178.2171.5-0.4114.4H285 T290H285-R288 PolarHBondContact O-N 3.29Å; R288-T290 PolarHBondContact O-N 3.46Å; R288-T290 PolarHBondContact O-OG1 3.37Å
289G74.5Confident81.6Confident47 Ų47115 Ų11549%0.48559%0.586SS.*  trans68.6-14.8179.900000115.3V291G289-V291 PolarHBondContact O-N 3.41Å
290T73.9Confident82Confident74 Ų74112.5 Ų112.545%0.45457%0.573SS.*  trans-66.3128.3179.6-38.90000111.2H285 R288H285-T290 PolarHBondContact N-O 3.22Å; H285-T290 VanDerWaalsContact N-O 3.11Å; R288-T290 PolarHBondContact O-N 3.46Å; R288-T290 PolarHBondContact O-OG1 3.37Å
291V78.5Confident82.3Confident81 Ų81110 Ų11049%0.49157%0.567SS.*EExtended strand (participates in β ladder)trans-95.8123.8174-178.70000108.1K282 K284 G289K282-V291 HydrophobicContact CB-CG1 3.87Å; K282-V291 HydrophobicContact CD-CG1 4.35Å; K282-V291 HydrophobicContact CG-CG1 4.18Å; K284-V291 HydrophobicContact CB-CG2 4.46Å; K284-V291 HydrophobicContact CG-CG2 4.25Å; G289-V291 PolarHBondContact O-N 3.41Å
292R82.7Confident82.8Confident189 Ų189102.9 Ų102.971%0.71354%0.536SS*.EExtended strand (participates in β ladder)trans-109.5136.8169.4-69.8-177178.5175.1-1.6108.8Q283Q283-R292 PolarHBondContact N-O 2.94Å; Q283-R292 PolarHBondContact O-N 3.41Å
293T81.6Confident83.3Confident80 Ų8095.1 Ų95.149%0.49150%0.503SS..EExtended strand (participates in β ladder)trans-88.2115.2172-55.20000108.2K280K280-T293 HydrophobicContact CB-CG2 3.71Å; K280-T293 HydrophobicContact CD-CG2 4.3Å; K280-T293 HydrophobicContact CG-CG2 4.09Å
294V83.3Confident84.1Confident65 Ų6589.1 Ų89.139%0.39448%0.475SS..EExtended strand (participates in β ladder)trans-99.3126174.2-179.50000107.8K281 Q283K281-V294 PolarHBondContact N-O 3.16Å; K281-V294 PolarHBondContact O-N 3.1Å; Q283-V294 HydrophobicContact CB-CG2 4.29Å
295T84.5Confident84.7Confident84 Ų8484.7 Ų84.752%0.51546%0.458SS..EExtended strand (participates in β ladder)trans-88.2117.7176.8-53.20000108T278T278-T295 HydrophobicContact CG2-CG2 3.05Å
296K86.9Confident85.5Confident133 Ų13379.3 Ų79.358%0.57843%0.433SS*.EExtended strand (participates in β ladder)trans-114.7129.2176-175.3-177.2178.4-170.10108.7I279 V298I279-K296 PolarHBondContact N-O 3.11Å; I279-K296 PolarHBondContact O-N 3.35Å; K296-V298 HydrophobicContact CD-CG1 4.19Å; K296-V298 HydrophobicContact CG-CG1 4.25Å
297T88.3Confident86.5Confident75 Ų7569.5 Ų69.546%0.4639%0.391SS..EExtended strand (participates in β ladder)trans-88135.8170.9-50.50000109.1L276 K277L276-T297 HydrophobicContact CB-CG2 3.59Å; L276-T297 HydrophobicContact CD1-CG2 3.82Å; L276-T297 HydrophobicContact CD2-CG2 4.18Å; L276-T297 HydrophobicContact CG-CG2 4.08Å; K277-T297 WeakPolarHBondContact O-CA 3.34Å
298V91.4Very high87Confident28 Ų2867.9 Ų67.917%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-131.4156.1176-58.40000109.7L276 K277 I279 K296L276-V298 WeakPolarHBondContact CA-O 3.49Å; K277-V298 HydrophobicContact CD-CG2 4.12Å; K277-V298 HydrophobicContact CG-CG2 3.43Å; K277-V298 VanDerWaalsContact CG-CG2 3.43Å; K277-V298 PolarHBondContact N-O 3.39Å; K277-V298 PolarHBondContact O-N 3.02Å; I279-V298 HydrophobicContact CD1-CG1 4.26Å; I279-V298 HydrophobicContact CD1-CG2 3.46Å; I279-V298 VanDerWaalsContact CD1-CG2 3.46Å; I279-V298 HydrophobicContact CG1-CG2 4.02Å; K296-V298 HydrophobicContact CD-CG1 4.19Å; K296-V298 HydrophobicContact CG-CG1 4.25Å
299P92.1Very high87.2Confident106 Ų10659.3 Ų59.369%0.68833%0.334SS*.EExtended strand (participates in β ladder)trans-52.1141.9172.4-26.435.7000111.9
300N94.2Very high87.1Confident32 Ų3258.9 Ų58.917%0.17132%0.323CS..  trans-122.3143.1173.6-165.846.1000108.4H193 V274 T275 K277 N305H193-N300 PolarHBondContact CE1-ND2 3.05Å; H193-N300 PolarHBondContact NE2-ND2 2.84Å; V274-N300 PolarHBondContact O-ND2 3Å; V274-N300 VanDerWaalsContact O-ND2 3.1Å; T275-N300 PolarHBondContact O-N 3.39Å; K277-N300 HydrophobicContact CB-CB 4.06Å; K277-N300 HydrophobicContact CD-CB 4.47Å; K277-N300 WeakPolarHBondContact CD-OD1 3.41Å; K277-N300 HydrophobicContact CG-CB 4.16Å; N300-N305 PolarHBondContact O-ND2 3.33Å
301D93.6Very high86.7Confident101 Ų10162.1 Ų62.154%0.5433%0.333SS..  trans-67.3139.8172.8-162.614.6000109.4H193H193-D301 PolarHBondContact CE1-O 3.37Å; H193-D301 PolarHBondContact NE2-O 3.01Å
302S95.3Very high85.6Confident4 Ų460.9 Ų60.93%0.02833%0.332CS..  trans-176.8141.2-171.2169.10000109.9D194 V274 F304 N305D194-S302 WeakPolarHBondContact OD1-CB 3.42Å; D194-S302 PolarHBondContact OD1-OG 2.9Å; D194-S302 WeakPolarHBondContact OD2-CA 3.47Å; D194-S302 PolarHBondContact OD2-OG 3.01Å; V274-S302 WeakPolarHBondContact CG2-OG 3.47Å; S302-F304 PolarHBondContact O-N 3.02Å; S302-F304 VanDerWaalsContact O-N 3.16Å; S302-F304 PolarHBondContact OG-N 3.09Å; S302-F304 VanDerWaalsContact OG-N 3.13Å; S302-N305 PolarHBondContact N-ND2 3.01Å; S302-N305 VanDerWaalsContact O-CB 3.3Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 2.94Å; S302-N305 PolarHBondContact O-ND2 3.45Å; S302-N305 VanDerWaalsContact O-ND2 3.13Å
303F94.9Very high84.1Confident1 Ų154.5 Ų54.50%0.00431%0.313CS..G310 helixtrans-52.4-36.1171.1168.9-102.7000112.1F180 M189 D194 L198 F221 N305 F306 F307F180-F303 HydrophobicContact CD1-CE2 4.44Å; F180-F303 HydrophobicContact CE1-CD2 4.16Å; F180-F303 HydrophobicContact CE1-CE1 4.07Å; F180-F303 AromaticContact CE1-CE2 3.58Å; F180-F303 HydrophobicContact CE1-CE2 3.58Å; F180-F303 AromaticContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CE1-CZ 3.53Å; F180-F303 HydrophobicContact CZ-CE2 4.44Å; F180-F303 HydrophobicContact CZ-CZ 4.13Å; M189-F303 HydrophobicContact CB-CD2 4.23Å; M189-F303 HydrophobicContact CE-CD2 4.1Å; M189-F303 HydrophobicContact CE-CE2 4.36Å; M189-F303 PolarHBondContact O-N 3.37Å; M189-F303 HydrophobicContact SD-CD2 4.36Å; D194-F303 PolarHBondContact OD2-N 2.87Å; L198-F303 HydrophobicContact CD1-CD1 4.42Å; L198-F303 HydrophobicContact CD2-CD1 4.22Å; L198-F303 HydrophobicContact CD2-CE1 4.19Å; F221-F303 HydrophobicContact CE1-CZ 4.19Å; F303-N305 PolarHBondContact O-N 2.9Å; F303-F306 HydrophobicContact CE2-CB 4.26Å; F303-F306 HydrophobicContact CE2-CD1 4.45Å; F303-F306 HydrophobicContact CE2-CG 4.37Å; F303-F306 HydrophobicContact CZ-CB 4.48Å; F303-F306 HydrophobicContact CZ-CD1 4.19Å; F303-F306 WeakPolarHBondContact O-CB 3.39Å; F303-F306 PolarHBondContact O-N 2.99Å; F303-F307 HydrophobicContact CE1-CE2 4.03Å
304F94.6Very high82.6Confident0 Ų055.6 Ų55.60%032%0.322CS..G310 helixtrans-68.2-8.5-177-67.4-84.4000114D194 V197 L198 F223 F229 L234 I266 W268 V274 T275 S302 F306 F307D194-F304 HydrophobicContact CB-CD2 4.4Å; D194-F304 HydrophobicContact CB-CE2 4.04Å; D194-F304 WeakPolarHBondContact OD1-CD2 3.37Å; V197-F304 HydrophobicContact CB-CE2 3.63Å; V197-F304 HydrophobicContact CB-CZ 3.53Å; V197-F304 HydrophobicContact CG1-CE1 3.92Å; V197-F304 HydrophobicContact CG1-CE2 3.75Å; V197-F304 HydrophobicContact CG1-CZ 3.24Å; V197-F304 HydrophobicContact CG2-CE2 4.04Å; V197-F304 HydrophobicContact CG2-CZ 4.38Å; L198-F304 HydrophobicContact CD2-CZ 4.25Å; L198-F304 HydrophobicContact CG-CZ 4.24Å; F223-F304 HydrophobicContact CZ-CE1 4.04Å; F223-F304 HydrophobicContact CZ-CZ 4.47Å; F229-F304 HydrophobicContact CE1-CE1 4.06Å; L234-F304 HydrophobicContact CD1-CD1 4.06Å; L234-F304 HydrophobicContact CD1-CE1 4.08Å; I266-F304 HydrophobicContact CD1-CB 3.84Å; I266-F304 HydrophobicContact CD1-CD1 3.85Å; I266-F304 HydrophobicContact CD1-CG 4.26Å; W268-F304 HydrophobicContact CH2-CB 4.2Å; W268-F304 HydrophobicContact CH2-CD1 4.18Å; W268-F304 HydrophobicContact CH2-CD2 4.06Å; W268-F304 AromaticContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CH2-CG 3.87Å; W268-F304 HydrophobicContact CZ2-CB 3.91Å; W268-F304 HydrophobicContact CZ2-CD1 4.43Å; W268-F304 HydrophobicContact CZ2-CG 4.06Å; V274-F304 HydrophobicContact CG2-CD2 3.7Å; V274-F304 HydrophobicContact CG2-CE2 4.37Å; V274-F304 HydrophobicContact CG2-CG 4.42Å; T275-F304 HydrophobicContact CG2-CB 3.7Å; S302-F304 PolarHBondContact O-N 3.02Å; S302-F304 VanDerWaalsContact O-N 3.16Å; S302-F304 PolarHBondContact OG-N 3.09Å; S302-F304 VanDerWaalsContact OG-N 3.13Å; F304-F306 PolarHBondContact O-N 3.24Å; F304-F307 HydrophobicContact CD1-CD2 4.15Å; F304-F307 HydrophobicContact CD1-CE2 4.04Å; F304-F307 PolarHBondContact O-N 3.27Å
305N92.3Very high80.9Confident57 Ų5761.9 Ų61.931%0.30535%0.347SS..G310 helixtrans-63.2-22165.7-68.1-42.3000112.1T275 N300 S302 F303 F307 T308T275-N305 WeakPolarHBondContact CB-OD1 3.32Å; N300-N305 PolarHBondContact O-ND2 3.33Å; S302-N305 PolarHBondContact N-ND2 3.01Å; S302-N305 VanDerWaalsContact O-CB 3.3Å; S302-N305 WeakPolarHBondContact O-CB 3.46Å; S302-N305 PolarHBondContact O-N 2.94Å; S302-N305 PolarHBondContact O-ND2 3.45Å; S302-N305 VanDerWaalsContact O-ND2 3.13Å; F303-N305 PolarHBondContact O-N 2.9Å; N305-F307 PolarHBondContact O-N 3.23Å; N305-T308 CarbonylContact O-C 3.49Å; N305-T308 VanDerWaalsContact O-C 3.24Å; N305-T308 WeakPolarHBondContact O-CA 3.34Å; N305-T308 PolarHBondContact O-N 3.33Å
306F92.1Very high79.2Confident7 Ų765.7 Ų65.73%0.03136%0.364CS..G310 helixtrans-51.2-37.9170.6-177.9-112.5000112.4M189 L219 F221 K236 Y238 F303 F304 T308 I333 I337M189-F306 HydrophobicContact CE-CB 4.23Å; M189-F306 HydrophobicContact CE-CD2 4.15Å; L219-F306 HydrophobicContact CD1-CE1 4.46Å; L219-F306 HydrophobicContact CD1-CZ 4.18Å; F221-F306 AromaticContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CE2-CE1 3.99Å; F221-F306 HydrophobicContact CZ-CD1 4.46Å; F221-F306 AromaticContact CZ-CE1 3.9Å; F221-F306 HydrophobicContact CZ-CE1 3.9Å; K236-F306 HydrophobicContact CB-CE1 4.41Å; K236-F306 HydrophobicContact CD-CD1 3.78Å; K236-F306 HydrophobicContact CD-CD2 4.21Å; K236-F306 HydrophobicContact CD-CE1 3.4Å; K236-F306 HydrophobicContact CD-CE2 3.88Å; K236-F306 HydrophobicContact CD-CG 4.18Å; K236-F306 HydrophobicContact CD-CZ 3.47Å; K236-F306 VanDerWaalsContact CD-CZ 3.47Å; K236-F306 WeakPolarHBondContact CD-O 3.28Å; K236-F306 WeakPolarHBondContact CE-O 3.43Å; Y238-F306 VanDerWaalsContact OH-CE2 3.26Å; Y238-F306 WeakPolarHBondContact OH-CE2 3.16Å; Y238-F306 VanDerWaalsContact OH-CZ 3.27Å; Y238-F306 WeakPolarHBondContact OH-CZ 3.47Å; F303-F306 HydrophobicContact CE2-CB 4.26Å; F303-F306 HydrophobicContact CE2-CD1 4.45Å; F303-F306 HydrophobicContact CE2-CG 4.37Å; F303-F306 HydrophobicContact CZ-CB 4.48Å; F303-F306 HydrophobicContact CZ-CD1 4.19Å; F303-F306 WeakPolarHBondContact O-CB 3.39Å; F303-F306 PolarHBondContact O-N 2.99Å; F304-F306 PolarHBondContact O-N 3.24Å; F306-T308 PolarHBondContact O-N 2.93Å; F306-I333 HydrophobicContact CD2-CG2 4.35Å; F306-I333 HydrophobicContact CE2-CB 4.3Å; F306-I333 HydrophobicContact CE2-CG2 3.74Å; F306-I333 HydrophobicContact CZ-CG2 4.26Å; F306-I337 HydrophobicContact CZ-CD1 4.26Å
307F91.6Very high77.8Confident1 Ų161.4 Ų61.40%0.00436%0.358CS..G310 helixtrans-79-3.7178.3-60.6-75.3000114.1F221 L234 K236 C264 I266 F303 F304 N305F221-F307 HydrophobicContact CB-CZ 4.24Å; F221-F307 HydrophobicContact CD1-CZ 4.21Å; F221-F307 AromaticContact CD2-CE1 3.52Å; F221-F307 HydrophobicContact CD2-CE1 3.52Å; F221-F307 AromaticContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CD2-CZ 3.5Å; F221-F307 HydrophobicContact CE1-CZ 4.45Å; F221-F307 AromaticContact CE2-CE1 3.77Å; F221-F307 HydrophobicContact CE2-CE1 3.77Å; F221-F307 AromaticContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CE2-CZ 3.8Å; F221-F307 HydrophobicContact CG-CE1 4.2Å; F221-F307 AromaticContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CG-CZ 3.74Å; F221-F307 HydrophobicContact CZ-CZ 4.26Å; L234-F307 HydrophobicContact CB-CD1 3.9Å; L234-F307 HydrophobicContact CB-CD2 4.49Å; L234-F307 HydrophobicContact CB-CE1 3.53Å; L234-F307 HydrophobicContact CB-CE2 4.17Å; L234-F307 HydrophobicContact CB-CG 4.36Å; L234-F307 HydrophobicContact CB-CZ 3.68Å; L234-F307 HydrophobicContact CD1-CD2 3.95Å; L234-F307 HydrophobicContact CD1-CE2 3.73Å; L234-F307 HydrophobicContact CD1-CG 4.46Å; L234-F307 HydrophobicContact CD1-CZ 4.07Å; K236-F307 HydrophobicContact CB-CD1 4.46Å; C264-F307 HydrophobicContact CB-CB 4.29Å; C264-F307 HydrophobicContact CB-CD1 4.31Å; C264-F307 PolarHBondContact N-O 3.22Å; I266-F307 HydrophobicContact CD1-CB 4.25Å; I266-F307 HydrophobicContact CD1-CD2 4.05Å; I266-F307 HydrophobicContact CD1-CG 4.47Å; I266-F307 HydrophobicContact CG1-CB 4.48Å; F303-F307 HydrophobicContact CE1-CE2 4.03Å; F304-F307 HydrophobicContact CD1-CD2 4.15Å; F304-F307 HydrophobicContact CD1-CE2 4.04Å; F304-F307 PolarHBondContact O-N 3.27Å; N305-F307 PolarHBondContact O-N 3.23Å
308T85.8Confident76.7Confident53 Ų5366.9 Ų66.933%0.32538%0.378SS..SBendtrans-128.257.6-179-37.70000110.7R263 N305 F306R263-T308 HydrophobicContact CG-CG2 4.36Å; N305-T308 CarbonylContact O-C 3.49Å; N305-T308 VanDerWaalsContact O-C 3.24Å; N305-T308 WeakPolarHBondContact O-CA 3.34Å; N305-T308 PolarHBondContact O-N 3.33Å; F306-T308 PolarHBondContact O-N 2.93Å
309P78.3Confident75.7Confident27 Ų2767.4 Ų67.418%0.17538%0.38CS..PPolyproline II helixtrans-61.2155.9-179.428.2-34.7000110.7C260 E311 L327C260-P309 HydrophobicContact CB-CG 4.31Å; C260-P309 WeakPolarHBondContact SG-CG 3.4Å; P309-E311 PolarHBondContact O-N 3.49Å; P309-L327 HydrophobicContact CB-CD2 4.27Å
310P74.2Confident75.2Confident38 Ų3866.5 Ų66.525%0.24737%0.369CS..PPolyproline II helixtrans-50.5140.5169.3-24.133.7000110.6A312 I326P310-A312 PolarHBondContact O-N 2.98Å; P310-A312 VanDerWaalsContact O-N 3.14Å; P310-I326 HydrophobicContact CG-CB 4.26Å; P310-I326 HydrophobicContact CG-CG2 3.68Å
311E64.8Low74.9Confident143 Ų14372.8 Ų72.867%0.66840%0.397SS*.PPolyproline II helixtrans-65.6117.7174.4-73.8-179.8-175.600108.3R263 P309 V313R263-E311 IonicContact NH1-OE1 3.91Å; P309-E311 PolarHBondContact O-N 3.49Å; E311-V313 PolarHBondContact O-N 3.42Å
312A55.3Low74.5Confident55 Ų5573.7 Ų73.746%0.45540%0.402SS..PPolyproline II helixtrans-53.6127.8163.800000107.6P310P310-A312 PolarHBondContact O-N 2.98Å; P310-A312 VanDerWaalsContact O-N 3.14Å
313V52.1Low74Confident54 Ų5474.6 Ų74.633%0.32741%0.409SS..PPolyproline II helixtrans-49.5140.5-162.5-144.50000112.3E311 G317 L319E311-V313 PolarHBondContact O-N 3.42Å; V313-G317 VanDerWaalsContact CB-O 3.27Å; V313-G317 WeakPolarHBondContact CB-O 3.24Å; V313-G317 VanDerWaalsContact CG1-O 3.24Å; V313-G317 WeakPolarHBondContact CG1-O 3.45Å; V313-G317 VanDerWaalsContact CG2-O 3.25Å; V313-G317 WeakPolarHBondContact CG2-O 3.4Å; V313-L319 HydrophobicContact CG2-CB 4.22Å; V313-L319 HydrophobicContact CG2-CD1 4.3Å; V313-L319 HydrophobicContact CG2-CD2 3.48Å; V313-L319 VanDerWaalsContact CG2-CD2 3.48Å; V313-L319 HydrophobicContact CG2-CG 3.32Å
314P48.2Very low73.5Confident104 Ų10479.6 Ų79.668%0.67543%0.432SS*.PPolyproline II helixtrans-54.5145.4159.123.1-32.3000109.7N316 G317P314-N316 PolarHBondContact O-N 3.1Å; P314-G317 PolarHBondContact O-N 3.49Å
315E48.5Very low73.2Confident196 Ų19682.5 Ų82.592%0.91646%0.456SS*.THydrogen-bonded Turntrans-29.5-9.2-172.4-111.1171.8168.500120.9
316N49.4Very low72.9Confident164 Ų16484.3 Ų84.388%0.87747%0.465SS*.THydrogen-bonded Turntrans-137.224.8-170.5-57.7-41.4000115.4P314P314-N316 PolarHBondContact O-N 3.1Å
317G57.7Low72.7Confident43 Ų4384.5 Ų84.544%0.44347%0.466SS..  trans-138.6151.8174.300000112.7V313 P314V313-G317 VanDerWaalsContact CB-O 3.27Å; V313-G317 WeakPolarHBondContact CB-O 3.24Å; V313-G317 VanDerWaalsContact CG1-O 3.24Å; V313-G317 WeakPolarHBondContact CG1-O 3.45Å; V313-G317 VanDerWaalsContact CG2-O 3.25Å; V313-G317 WeakPolarHBondContact CG2-O 3.4Å; P314-G317 PolarHBondContact O-N 3.49Å
318E64.4Low72.6Confident191 Ų19187.3 Ų87.389%0.89349%0.489SS*.PPolyproline II helixtrans-83.8143.9166.3-68.3169.1-177.800108.3
319L69.4Low72.8Confident38 Ų3886.7 Ų86.720%0.19949%0.49CS..PPolyproline II helixtrans-69.4151.7167.3-74.4173000108.2V313 E324 L327V313-L319 HydrophobicContact CG2-CB 4.22Å; V313-L319 HydrophobicContact CG2-CD1 4.3Å; V313-L319 HydrophobicContact CG2-CD2 3.48Å; V313-L319 VanDerWaalsContact CG2-CD2 3.48Å; V313-L319 HydrophobicContact CG2-CG 3.32Å; L319-E324 HydrophobicContact CB-CG 3.48Å; L319-E324 VanDerWaalsContact CB-CG 3.48Å; L319-E324 HydrophobicContact CD1-CG 4.11Å; L319-E324 HydrophobicContact CG-CG 4.4Å; L319-L327 HydrophobicContact CD1-CD1 3.39Å
320D83.6Confident73.4Confident87 Ų8786 Ų8647%0.46548%0.484SS..PPolyproline II helixtrans-71.3154.5163.963.1101.7000110.2D322 S323 E324D320-D322 PolarHBondContact O-N 2.97Å; D320-D322 VanDerWaalsContact O-N 3.16Å; D320-D322 WeakPolarHBondContact OD1-CB 3.46Å; D320-D322 PolarHBondContact OD1-N 2.73Å; D320-S323 WeakPolarHBondContact O-CA 3.46Å; D320-S323 WeakPolarHBondContact O-CB 3.5Å; D320-S323 PolarHBondContact O-N 3.49Å; D320-S323 PolarHBondContact OD1-N 3.13Å; D320-S323 PolarHBondContact OD1-OG 2.98Å; D320-S323 WeakPolarHBondContact OD2-CB 3.5Å; D320-S323 PolarHBondContact OD2-OG 3.43Å; D320-E324 PolarHBondContact O-N 3.34Å
321E86.1Confident74.3Confident164 Ų16486.1 Ų86.177%0.76648%0.481SS*.Hα-helixtrans-53.3-36.8-176.4-171.3175.5-174.400112.7E324 A325E321-E324 PolarHBondContact O-N 3.26Å; E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.29Å
322D85.6Confident75.6Confident121 Ų12185.2 Ų85.265%0.64748%0.477SS*.Hα-helixtrans-67-42.8177.4-60.8-24.7000111D320 A325 I326D320-D322 PolarHBondContact O-N 2.97Å; D320-D322 VanDerWaalsContact O-N 3.16Å; D320-D322 WeakPolarHBondContact OD1-CB 3.46Å; D320-D322 PolarHBondContact OD1-N 2.73Å; D322-A325 PolarHBondContact O-N 3.44Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 WeakPolarHBondContact O-CG1 3.14Å; D322-I326 PolarHBondContact O-N 3.23Å
323S84.1Confident77.4Confident23 Ų2383 Ų8316%0.16146%0.458CS..Hα-helixtrans-66-35.8176.7-65.80000112.6D320 L327D320-S323 WeakPolarHBondContact O-CA 3.46Å; D320-S323 WeakPolarHBondContact O-CB 3.5Å; D320-S323 PolarHBondContact O-N 3.49Å; D320-S323 PolarHBondContact OD1-N 3.13Å; D320-S323 PolarHBondContact OD1-OG 2.98Å; D320-S323 WeakPolarHBondContact OD2-CB 3.5Å; D320-S323 PolarHBondContact OD2-OG 3.43Å; S323-L327 PolarHBondContact O-N 3.34Å; S323-L327 VanDerWaalsContact O-N 3.13Å
324E85.4Confident79.4Confident105 Ų10580.4 Ų80.449%0.49144%0.442SS..Hα-helixtrans-65.3-46.5174.3-67.2-174.4170.200111.4L319 D320 E321 I326 L327 A328L319-E324 HydrophobicContact CB-CG 3.48Å; L319-E324 VanDerWaalsContact CB-CG 3.48Å; L319-E324 HydrophobicContact CD1-CG 4.11Å; L319-E324 HydrophobicContact CG-CG 4.4Å; D320-E324 PolarHBondContact O-N 3.34Å; E321-E324 PolarHBondContact O-N 3.26Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.05Å; E324-L327 PolarHBondContact O-N 2.69Å; E324-A328 PolarHBondContact O-N 2.91Å
325A87.4Confident81.6Confident62 Ų6280 Ų8051%0.51243%0.431SS..Hα-helixtrans-60.5-41.3177.100000112.2E321 D322 L327 A328 A329E321-A325 WeakPolarHBondContact O-CB 3.38Å; E321-A325 PolarHBondContact O-N 3.29Å; D322-A325 PolarHBondContact O-N 3.44Å; A325-L327 PolarHBondContact O-N 2.84Å; A325-A328 PolarHBondContact O-N 3.5Å; A325-A329 PolarHBondContact O-N 3.11Å
326I86.9Confident83.8Confident94 Ų9472.9 Ų72.948%0.48240%0.397SS..Hα-helixtrans-63.2-41.5176.5-68.5163.7000111.3P310 D322 E324 D330P310-I326 HydrophobicContact CG-CB 4.26Å; P310-I326 HydrophobicContact CG-CG2 3.68Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 WeakPolarHBondContact O-CG1 3.14Å; D322-I326 PolarHBondContact O-N 3.23Å; E324-I326 VanDerWaalsContact C-N 3.33Å; E324-I326 PolarHBondContact O-N 3.05Å; I326-D330 VanDerWaalsContact O-CB 3.29Å; I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.35Å
327L88Confident86Confident12 Ų1265.1 Ų65.16%0.06336%0.355CS..Hα-helixtrans-70.2-38.4178-76.1179.2000112.6P309 L319 S323 E324 A325 D330 F331P309-L327 HydrophobicContact CB-CD2 4.27Å; L319-L327 HydrophobicContact CD1-CD1 3.39Å; S323-L327 PolarHBondContact O-N 3.34Å; S323-L327 VanDerWaalsContact O-N 3.13Å; E324-L327 PolarHBondContact O-N 2.69Å; A325-L327 PolarHBondContact O-N 2.84Å; L327-D330 WeakPolarHBondContact O-CB 3.44Å; L327-D330 PolarHBondContact O-N 3.14Å; L327-F331 HydrophobicContact CD2-CE1 4.4Å; L327-F331 VanDerWaalsContact O-CD1 3.28Å; L327-F331 WeakPolarHBondContact O-CD1 3.23Å; L327-F331 WeakPolarHBondContact O-CG 3.49Å; L327-F331 PolarHBondContact O-N 3.09Å
328A88.8Confident87.7Confident59 Ų5963.6 Ų63.649%0.48834%0.336SS..Hα-helixtrans-59.3-49175.100000110.9E324 A325 D330 F331 E332E324-A328 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 3.5Å; A328-D330 PolarHBondContact O-N 3.33Å; A328-F331 PolarHBondContact O-N 3.23Å; A328-E332 PolarHBondContact O-N 3.43Å
329A90.3Very high89.1Confident41 Ų4158 Ų5834%0.33931%0.31SS..Hα-helixtrans-59.7-44.4174.400000111.7A325 F331 E332 I333A325-A329 PolarHBondContact O-N 3.11Å; A329-F331 VanDerWaalsContact C-N 3.26Å; A329-F331 PolarHBondContact O-N 2.87Å; A329-E332 PolarHBondContact O-N 3.45Å; A329-I333 WeakPolarHBondContact O-CB 3.47Å; A329-I333 VanDerWaalsContact O-CD1 3.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.36Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 2.8Å; A329-I333 PolarHBondContact O-N 3.42Å
330D91.5Very high90.3Very high11 Ų1161.4 Ų61.46%0.05932%0.32CS..Hα-helixtrans-59.2-34.9177.4175.681.7000113.4K236 Y238 I326 L327 A328 G334K236-D330 WeakPolarHBondContact CE-OD1 3.29Å; K236-D330 IonicContact NZ-OD1 2.71Å; K236-D330 PolarHBondContact NZ-OD1 3.24Å; K236-D330 IonicContact NZ-OD2 3.64Å; K236-D330 PolarHBondContact NZ-OD2 3.18Å; Y238-D330 WeakPolarHBondContact CE1-OD2 3.29Å; Y238-D330 PolarHBondContact OH-O 2.87Å; I326-D330 VanDerWaalsContact O-CB 3.29Å; I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.35Å; L327-D330 WeakPolarHBondContact O-CB 3.44Å; L327-D330 PolarHBondContact O-N 3.14Å; A328-D330 PolarHBondContact O-N 3.33Å; D330-G334 PolarHBondContact O-N 2.78Å
331F91.9Very high90.9Very high42 Ų4257.3 Ų57.318%0.18430%0.298CS..Hα-helixtrans-74.3-43.6177-67.2-3.1000111.2Y238 I257 C260 L327 A328 A329 G334 H335Y238-F331 HydrophobicContact CD1-CD1 4.12Å; Y238-F331 HydrophobicContact CD1-CE1 4.45Å; Y238-F331 AromaticContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CD1 3.85Å; Y238-F331 HydrophobicContact CE1-CE1 4.39Å; I257-F331 HydrophobicContact CB-CB 4.2Å; I257-F331 HydrophobicContact CB-CD1 4.39Å; I257-F331 HydrophobicContact CB-CD2 3.92Å; I257-F331 HydrophobicContact CB-CE2 4.39Å; I257-F331 HydrophobicContact CB-CG 3.91Å; I257-F331 HydrophobicContact CD1-CB 4.05Å; I257-F331 WeakPolarHBondContact CD1-O 3.47Å; I257-F331 HydrophobicContact CG2-CB 4.23Å; I257-F331 HydrophobicContact CG2-CD1 3.53Å; I257-F331 HydrophobicContact CG2-CD2 3.76Å; I257-F331 HydrophobicContact CG2-CE1 3.71Å; I257-F331 HydrophobicContact CG2-CE2 3.93Å; I257-F331 HydrophobicContact CG2-CG 3.55Å; I257-F331 HydrophobicContact CG2-CZ 3.91Å; I257-F331 WeakPolarHBondContact O-CD2 3.46Å; I257-F331 WeakPolarHBondContact O-CE2 3.4Å; C260-F331 HydrophobicContact CB-CE1 4.35Å; L327-F331 HydrophobicContact CD2-CE1 4.4Å; L327-F331 VanDerWaalsContact O-CD1 3.28Å; L327-F331 WeakPolarHBondContact O-CD1 3.23Å; L327-F331 WeakPolarHBondContact O-CG 3.49Å; L327-F331 PolarHBondContact O-N 3.09Å; A328-F331 PolarHBondContact O-N 3.23Å; A329-F331 VanDerWaalsContact C-N 3.26Å; A329-F331 PolarHBondContact O-N 2.87Å; F331-G334 PolarHBondContact O-N 3.4Å; F331-H335 WeakPolarHBondContact O-CB 3.33Å; F331-H335 PolarHBondContact O-N 3.01Å
332E92.9Very high91.4Very high123 Ų12349.6 Ų49.658%0.57526%0.262SS*.Hα-helixtrans-58.2-49.9174.5-178.7173.3-159.700111.3L185 A328 A329 G334 H335 F336L185-E332 HydrophobicContact CD2-CG 4.49Å; A328-E332 PolarHBondContact O-N 3.43Å; A329-E332 PolarHBondContact O-N 3.45Å; E332-G334 VanDerWaalsContact C-N 3.34Å; E332-G334 PolarHBondContact O-N 3.25Å; E332-H335 PolarHBondContact O-N 3.48Å; E332-F336 VanDerWaalsContact O-CB 3.29Å; E332-F336 WeakPolarHBondContact O-CB 3.45Å; E332-F336 PolarHBondContact O-N 2.87Å
333I93.3Very high91.9Very high9 Ų946.8 Ų46.85%0.04625%0.251CS..Hα-helixtrans-60.3-44.5176.6-66.6154.7000110.9L185 L186 M189 F306 A329 H335 F336 I337L185-I333 HydrophobicContact CD1-CG1 4.12Å; L185-I333 HydrophobicContact CD2-CG1 4Å; L185-I333 HydrophobicContact CG-CG1 3.99Å; L186-I333 HydrophobicContact CD2-CG2 3.95Å; M189-I333 HydrophobicContact CE-CD1 3.73Å; M189-I333 HydrophobicContact CG-CD1 4.34Å; M189-I333 HydrophobicContact SD-CD1 3.29Å; M189-I333 WeakPolarHBondContact SD-CD1 3.48Å; M189-I333 HydrophobicContact SD-CG1 3.98Å; M189-I333 HydrophobicContact SD-CG2 4.06Å; F306-I333 HydrophobicContact CD2-CG2 4.35Å; F306-I333 HydrophobicContact CE2-CB 4.3Å; F306-I333 HydrophobicContact CE2-CG2 3.74Å; F306-I333 HydrophobicContact CZ-CG2 4.26Å; A329-I333 WeakPolarHBondContact O-CB 3.47Å; A329-I333 VanDerWaalsContact O-CD1 3.27Å; A329-I333 WeakPolarHBondContact O-CD1 3.36Å; A329-I333 VanDerWaalsContact O-CG1 3.23Å; A329-I333 WeakPolarHBondContact O-CG1 2.8Å; A329-I333 PolarHBondContact O-N 3.42Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.47Å; I333-F336 PolarHBondContact O-N 3.36Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.38Å; I333-I337 WeakPolarHBondContact O-CG1 3.45Å; I333-I337 PolarHBondContact O-N 2.93Å
334G93.7Very high92.4Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-60.5-43.1178.300000112.8Y238 D330 F331 E332 R338Y238-G334 WeakPolarHBondContact OH-CA 3.46Å; D330-G334 PolarHBondContact O-N 2.78Å; F331-G334 PolarHBondContact O-N 3.4Å; E332-G334 VanDerWaalsContact C-N 3.34Å; E332-G334 PolarHBondContact O-N 3.25Å; G334-R338 WeakPolarHBondContact O-CB 3.28Å; G334-R338 PolarHBondContact O-N 2.73Å
335H93.3Very high92.9Very high96 Ų9646.8 Ų46.844%0.44424%0.243SC..Hα-helixtrans-65.4-45.6175-178.476.3000111.4I257 F331 E332 I333 I337 R338 E339I257-H335 HydrophobicContact CD1-CB 4.4Å; F331-H335 WeakPolarHBondContact O-CB 3.33Å; F331-H335 PolarHBondContact O-N 3.01Å; E332-H335 PolarHBondContact O-N 3.48Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.47Å; H335-I337 PolarHBondContact O-N 3.24Å; H335-R338 WeakPolarHBondContact O-CB 3.47Å; H335-R338 PolarHBondContact O-N 3.05Å; H335-E339 WeakPolarHBondContact O-CB 3.4Å; H335-E339 PolarHBondContact O-N 3.49Å
336F94.9Very high93.4Very high46 Ų4647.7 Ų47.720%0.20224%0.242CC..Hα-helixtrans-62.7-43.3-179.5-169.7-104.9000112.6V183 L185 E332 I333 R338 R340 I341V183-F336 HydrophobicContact CG1-CD1 4.41Å; V183-F336 HydrophobicContact CG1-CE1 3.54Å; V183-F336 HydrophobicContact CG1-CZ 4.3Å; L185-F336 HydrophobicContact CD2-CB 4.13Å; L185-F336 HydrophobicContact CD2-CD1 4.06Å; L185-F336 HydrophobicContact CD2-CG 4.07Å; E332-F336 VanDerWaalsContact O-CB 3.29Å; E332-F336 WeakPolarHBondContact O-CB 3.45Å; E332-F336 PolarHBondContact O-N 2.87Å; I333-F336 PolarHBondContact O-N 3.36Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 2.84Å; F336-R340 HydrophobicContact CD2-CB 4.02Å; F336-R340 HydrophobicContact CD2-CG 3.78Å; F336-R340 HydrophobicContact CE2-CB 3.84Å; F336-R340 HydrophobicContact CE2-CG 3.68Å; F336-R340 HydrophobicContact CG-CB 4.45Å; F336-R340 HydrophobicContact CZ-CB 4.11Å; F336-R340 HydrophobicContact CZ-CG 4.42Å; F336-R340 WeakPolarHBondContact O-CA 3.36Å; F336-R340 WeakPolarHBondContact O-CB 3.29Å; F336-R340 PolarHBondContact O-N 2.67Å; F336-I341 HydrophobicContact CD1-CD1 4.18Å; F336-I341 HydrophobicContact CD1-CG1 3.81Å; F336-I341 HydrophobicContact CE1-CD1 3.64Å; F336-I341 HydrophobicContact CE1-CG1 3.8Å; F336-I341 HydrophobicContact CZ-CD1 4.46Å; F336-I341 PolarHBondContact O-N 3.49Å
337I96.1Very high93.7Very high0 Ų046 Ų460%023%0.234CC..Iπ-helixtrans-60.5-44175.6-68.4170.5000110.7L186 I204 L219 F221 F306 I333 H335 V342L186-I337 HydrophobicContact CD2-CD1 4.15Å; L186-I337 HydrophobicContact CD2-CG1 4.19Å; I204-I337 HydrophobicContact CG2-CG2 4.07Å; L219-I337 HydrophobicContact CD1-CB 4.02Å; L219-I337 HydrophobicContact CD1-CD1 4.24Å; L219-I337 HydrophobicContact CD1-CG2 3.95Å; L219-I337 HydrophobicContact CD2-CG2 4.04Å; F221-I337 HydrophobicContact CZ-CD1 4.17Å; F306-I337 HydrophobicContact CZ-CD1 4.26Å; I333-I337 HydrophobicContact CG2-CD1 3.85Å; I333-I337 HydrophobicContact CG2-CG1 4.38Å; I333-I337 WeakPolarHBondContact O-CG1 3.45Å; I333-I337 PolarHBondContact O-N 2.93Å; H335-I337 PolarHBondContact O-N 3.24Å; I337-V342 HydrophobicContact CG2-CG2 4.09Å; I337-V342 WeakPolarHBondContact O-CG2 3.42Å; I337-V342 PolarHBondContact O-N 3.28Å
338R94.6Very high94.1Very high12 Ų1245.9 Ų45.95%0.04523%0.232CC..Iπ-helixtrans-65-50.3-179.4165.7-176.9152.3177.3-1.4112.2E104 V206 F217 L219 M240 G334 H335 F336 P343E104-R338 IonicContact OE1-NH2 2.99Å; E104-R338 PolarHBondContact OE1-NH2 2.83Å; E104-R338 IonicContact OE2-CZ 3.86Å; E104-R338 IonicContact OE2-NH2 2.79Å; E104-R338 PolarHBondContact OE2-NH2 3.14Å; V206-R338 HydrophobicContact CG1-CG 4Å; V206-R338 HydrophobicContact CG2-CB 4.32Å; V206-R338 HydrophobicContact CG2-CG 4.39Å; F217-R338 HydrophobicContact CD2-CB 4.22Å; F217-R338 HydrophobicContact CD2-CG 4.32Å; F217-R338 HydrophobicContact CE2-CB 3.9Å; F217-R338 HydrophobicContact CE2-CG 4.38Å; F217-R338 HydrophobicContact CZ-CB 4.46Å; L219-R338 HydrophobicContact CD2-CB 4.26Å; M240-R338 PolarHBondContact SD-NH1 3.25Å; G334-R338 WeakPolarHBondContact O-CB 3.28Å; G334-R338 PolarHBondContact O-N 2.73Å; H335-R338 WeakPolarHBondContact O-CB 3.47Å; H335-R338 PolarHBondContact O-N 3.05Å; F336-R338 VanDerWaalsContact C-N 3.3Å; F336-R338 PolarHBondContact O-N 2.84Å; R338-P343 WeakPolarHBondContact O-CD 3.29Å
339E93.2Very high94.4Very high72 Ų7246 Ų4634%0.33622%0.222SC..Iπ-helixtrans-90.2-30.9-167.9-69.9-59.8144.200113.5H335H335-E339 WeakPolarHBondContact O-CB 3.4Å; H335-E339 PolarHBondContact O-N 3.49Å
340R93.9Very high94.6Very high111 Ų11147.6 Ų47.642%0.41923%0.228SC..Iπ-helixtrans-110.5-57.3-174.3-62.3-67.3-172.6130.20.7112F336 R344 Y348F336-R340 HydrophobicContact CD2-CB 4.02Å; F336-R340 HydrophobicContact CD2-CG 3.78Å; F336-R340 HydrophobicContact CE2-CB 3.84Å; F336-R340 HydrophobicContact CE2-CG 3.68Å; F336-R340 HydrophobicContact CG-CB 4.45Å; F336-R340 HydrophobicContact CZ-CB 4.11Å; F336-R340 HydrophobicContact CZ-CG 4.42Å; F336-R340 WeakPolarHBondContact O-CA 3.36Å; F336-R340 WeakPolarHBondContact O-CB 3.29Å; F336-R340 PolarHBondContact O-N 2.67Å; R340-R344 WeakPolarHBondContact O-CB 3.36Å; R340-R344 PolarHBondContact O-N 2.99Å; R340-Y348 HydrophobicContact CB-CE2 4.45Å
341I96Very high94.5Very high0 Ų048.1 Ų48.10%024%0.236CC..Iπ-helixtrans-67.5-55.8-169.6-59.2-66.5000112.1W176 V179 V183 L186 F336 R344 A345 Y348W176-I341 HydrophobicContact CZ3-CG2 4.12Å; V179-I341 HydrophobicContact CG1-CD1 4.47Å; V179-I341 HydrophobicContact CG1-CG2 3.8Å; V183-I341 HydrophobicContact CB-CD1 4.34Å; V183-I341 HydrophobicContact CG1-CD1 4.04Å; V183-I341 HydrophobicContact CG2-CD1 3.51Å; L186-I341 HydrophobicContact CD1-CD1 4.12Å; L186-I341 HydrophobicContact CD1-CG1 4.13Å; F336-I341 HydrophobicContact CD1-CD1 4.18Å; F336-I341 HydrophobicContact CD1-CG1 3.81Å; F336-I341 HydrophobicContact CE1-CD1 3.64Å; F336-I341 HydrophobicContact CE1-CG1 3.8Å; F336-I341 HydrophobicContact CZ-CD1 4.46Å; F336-I341 PolarHBondContact O-N 3.49Å; I341-R344 CarbonylContact O-C 3.29Å; I341-R344 PolarHBondContact O-N 3.37Å; I341-A345 WeakPolarHBondContact O-CA 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.39Å; I341-A345 PolarHBondContact O-N 2.86Å; I341-Y348 HydrophobicContact CD1-CD1 4.3Å; I341-Y348 HydrophobicContact CD1-CD2 3.82Å; I341-Y348 HydrophobicContact CD1-CE1 4.26Å; I341-Y348 HydrophobicContact CD1-CE2 3.79Å; I341-Y348 HydrophobicContact CD1-CG 4.08Å
342V96.8Very high94.4Very high2 Ų253 Ų531%0.01226%0.26CS..Hα-helixtrans-61.4-44.5-174.9170.10000112.2F115 R118 I204 V206 I337 R344F115-V342 HydrophobicContact CD2-CG1 4.4Å; F115-V342 HydrophobicContact CE2-CG1 4.19Å; R118-V342 PolarHBondContact NH1-O 3.13Å; I204-V342 HydrophobicContact CB-CG2 4.1Å; I204-V342 HydrophobicContact CG2-CG2 3.71Å; V206-V342 HydrophobicContact CG2-CB 4.07Å; V206-V342 HydrophobicContact CG2-CG1 4.08Å; V206-V342 HydrophobicContact CG2-CG2 3.99Å; I337-V342 HydrophobicContact CG2-CG2 4.09Å; I337-V342 WeakPolarHBondContact O-CG2 3.42Å; I337-V342 PolarHBondContact O-N 3.28Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.38Å
343P96.1Very high94Very high63 Ų6348 Ų4841%0.40924%0.238SC..Hα-helixtrans-67.2-30.8178.2-24.436.7000114.3F115 R338F115-P343 HydrophobicContact CZ-CB 4.45Å; R338-P343 WeakPolarHBondContact O-CD 3.29Å
344R95.3Very high93.5Very high126 Ų12650.4 Ų50.448%0.47525%0.251SS..Hα-helixtrans-118.322.5-171.9-59.4-177.7175.9-162.4-1.6114.1R340 I341 V342 V346 L347 Y348R340-R344 WeakPolarHBondContact O-CB 3.36Å; R340-R344 PolarHBondContact O-N 2.99Å; I341-R344 CarbonylContact O-C 3.29Å; I341-R344 PolarHBondContact O-N 3.37Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.38Å; R344-V346 PolarHBondContact O-N 2.83Å; R344-L347 HydrophobicContact CB-CB 4.5Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CG-CD1 4.37Å; R344-L347 WeakPolarHBondContact O-CB 3.29Å; R344-L347 PolarHBondContact O-N 2.92Å; R344-Y348 HydrophobicContact CB-CD2 4.21Å; R344-Y348 HydrophobicContact CB-CE2 4.04Å; R344-Y348 WeakPolarHBondContact O-CD2 3.45Å; R344-Y348 PolarHBondContact O-N 2.97Å
345A96.4Very high92.3Very high1 Ų156.7 Ų56.71%0.00828%0.28CS..Hα-helixtrans-52.4-37.2-171.500000113.9F175 W176 V179 I341 L347 Y348 F349F175-A345 HydrophobicContact CE1-CB 3.95Å; F175-A345 HydrophobicContact CZ-CB 4.01Å; W176-A345 HydrophobicContact CH2-CB 3.57Å; W176-A345 HydrophobicContact CZ2-CB 4.44Å; W176-A345 HydrophobicContact CZ3-CB 3.62Å; V179-A345 VanDerWaalsContact CG2-O 3.28Å; V179-A345 WeakPolarHBondContact CG2-O 3.39Å; I341-A345 WeakPolarHBondContact O-CA 3.28Å; I341-A345 WeakPolarHBondContact O-CB 3.39Å; I341-A345 PolarHBondContact O-N 2.86Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.81Å; A345-Y348 PolarHBondContact O-N 3.34Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 3.28Å
346V96.4Very high90.5Very high81 Ų8157.9 Ų57.949%0.49129%0.29SS..Hα-helixtrans-65.4-36.6177.766.20000112.5R344 F349 T350R344-V346 PolarHBondContact O-N 2.83Å; V346-F349 WeakPolarHBondContact O-CB 3.24Å; V346-F349 PolarHBondContact O-N 3.16Å; V346-T350 HydrophobicContact CG2-CG2 4.49Å; V346-T350 WeakPolarHBondContact O-CG2 3.3Å; V346-T350 PolarHBondContact O-N 3.4Å; V346-T350 PolarHBondContact O-OG1 3.05Å; V346-T350 VanDerWaalsContact O-OG1 3.09Å
347L95Very high88.4Confident59 Ų5962 Ų6231%0.30931%0.314SS..Hα-helixtrans-71.6-35.3179.3-55-179.2000111.3R344 A345 F349 T350 G351 E352 A353R344-L347 HydrophobicContact CB-CB 4.5Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CG-CD1 4.37Å; R344-L347 WeakPolarHBondContact O-CB 3.29Å; R344-L347 PolarHBondContact O-N 2.92Å; A345-L347 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 2.81Å; L347-F349 VanDerWaalsContact C-N 3.34Å; L347-T350 WeakPolarHBondContact CA-OG1 3.3Å; L347-T350 PolarHBondContact O-OG1 3.3Å; L347-G351 CarbonylContact O-C 3.41Å; L347-G351 WeakPolarHBondContact O-CA 3.28Å; L347-G351 PolarHBondContact O-N 2.88Å; L347-E352 HydrophobicContact CB-CB 4.45Å; L347-E352 HydrophobicContact CD2-CB 4.41Å; L347-E352 VanDerWaalsContact CD2-OE2 3.23Å; L347-E352 WeakPolarHBondContact CD2-OE2 3.18Å; L347-E352 PolarHBondContact O-N 2.77Å; L347-A353 HydrophobicContact CB-CB 3.46Å; L347-A353 VanDerWaalsContact CB-CB 3.46Å; L347-A353 HydrophobicContact CD1-CB 4.46Å; L347-A353 PolarHBondContact O-N 3.28Å
348Y95.3Very high86.2Confident10 Ų1068.8 Ų68.84%0.03935%0.35CS..Hα-helixtrans-69.2-34.3170.7-73.1-71.4000111.9N182 V183 R340 I341 R344 A345 A353N182-Y348 WeakPolarHBondContact CB-O 3.25Å; N182-Y348 PolarHBondContact ND2-O 3.46Å; V183-Y348 HydrophobicContact CG2-CD1 3.33Å; V183-Y348 HydrophobicContact CG2-CE1 3.79Å; V183-Y348 HydrophobicContact CG2-CG 3.91Å; R340-Y348 HydrophobicContact CB-CE2 4.45Å; I341-Y348 HydrophobicContact CD1-CD1 4.3Å; I341-Y348 HydrophobicContact CD1-CD2 3.82Å; I341-Y348 HydrophobicContact CD1-CE1 4.26Å; I341-Y348 HydrophobicContact CD1-CE2 3.79Å; I341-Y348 HydrophobicContact CD1-CG 4.08Å; R344-Y348 HydrophobicContact CB-CD2 4.21Å; R344-Y348 HydrophobicContact CB-CE2 4.04Å; R344-Y348 WeakPolarHBondContact O-CD2 3.45Å; R344-Y348 PolarHBondContact O-N 2.97Å; A345-Y348 PolarHBondContact O-N 3.34Å; Y348-A353 HydrophobicContact CD1-CB 4.06Å; Y348-A353 HydrophobicContact CD2-CB 4.24Å; Y348-A353 HydrophobicContact CE1-CB 3.97Å; Y348-A353 WeakPolarHBondContact CE1-O 3.15Å; Y348-A353 HydrophobicContact CE2-CB 4.14Å; Y348-A353 HydrophobicContact CG-CB 4.2Å
349F95.7Very high83.9Confident60 Ų6075.1 Ų75.126%0.26339%0.385SS..Hα-helixtrans-66.4-42.7174.8177.2-93.2000112I172 F175 T178 V179 N182 A345 V346 L347 G351I172-F349 HydrophobicContact CG2-CE1 4.2Å; I172-F349 HydrophobicContact CG2-CE2 3.96Å; I172-F349 HydrophobicContact CG2-CZ 3.58Å; F175-F349 HydrophobicContact CB-CD2 4.43Å; F175-F349 HydrophobicContact CB-CE2 4.44Å; F175-F349 HydrophobicContact CD2-CB 4.09Å; F175-F349 HydrophobicContact CD2-CD1 4.22Å; F175-F349 AromaticContact CD2-CD2 3.47Å; F175-F349 HydrophobicContact CD2-CD2 3.47Å; F175-F349 VanDerWaalsContact CD2-CD2 3.47Å; F175-F349 AromaticContact CD2-CE2 3.91Å; F175-F349 HydrophobicContact CD2-CE2 3.91Å; F175-F349 AromaticContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CG 3.65Å; F175-F349 HydrophobicContact CD2-CZ 4.45Å; F175-F349 HydrophobicContact CE2-CB 3.65Å; F175-F349 HydrophobicContact CE2-CD1 4.16Å; F175-F349 AromaticContact CE2-CD2 3.95Å; F175-F349 HydrophobicContact CE2-CD2 3.95Å; F175-F349 AromaticContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CE2-CG 3.64Å; F175-F349 HydrophobicContact CG-CD2 4.14Å; F175-F349 HydrophobicContact CZ-CB 4.23Å; F175-F349 WeakPolarHBondContact O-CD2 3.49Å; T178-F349 HydrophobicContact CG2-CD2 3.91Å; T178-F349 HydrophobicContact CG2-CE2 4.04Å; V179-F349 HydrophobicContact CG2-CB 3.8Å; N182-F349 PolarHBondContact ND2-O 3.5Å; A345-F349 WeakPolarHBondContact O-CB 3.45Å; A345-F349 PolarHBondContact O-N 3.28Å; V346-F349 WeakPolarHBondContact O-CB 3.24Å; V346-F349 PolarHBondContact O-N 3.16Å; L347-F349 VanDerWaalsContact C-N 3.34Å; F349-G351 VanDerWaalsContact C-N 3.34Å
350T94.3Very high81.7Confident75 Ų7578.8 Ų78.846%0.4641%0.407SS..Hα-helixtrans-77.8-19.8178.254.60000113.2V346 L347 E352V346-T350 HydrophobicContact CG2-CG2 4.49Å; V346-T350 WeakPolarHBondContact O-CG2 3.3Å; V346-T350 PolarHBondContact O-N 3.4Å; V346-T350 PolarHBondContact O-OG1 3.05Å; V346-T350 VanDerWaalsContact O-OG1 3.09Å; L347-T350 WeakPolarHBondContact CA-OG1 3.3Å; L347-T350 PolarHBondContact O-OG1 3.3Å; T350-E352 PolarHBondContact OG1-OE2 3.44Å
351G90.2Very high79.6Confident23 Ų2383.6 Ų83.624%0.23743%0.427CS..THydrogen-bonded Turntrans93.2-3.4-177.700000114.3L347 F349 A353 I354L347-G351 CarbonylContact O-C 3.41Å; L347-G351 WeakPolarHBondContact O-CA 3.28Å; L347-G351 PolarHBondContact O-N 2.88Å; F349-G351 VanDerWaalsContact C-N 3.34Å; G351-A353 VanDerWaalsContact C-N 3.25Å; G351-A353 PolarHBondContact O-N 3.37Å; G351-I354 WeakPolarHBondContact O-CB 3.23Å; G351-I354 WeakPolarHBondContact O-CG1 3.25Å; G351-I354 PolarHBondContact O-N 3.46Å
352E88.7Confident77.4Confident145 Ų14591.4 Ų91.468%0.67847%0.468SS*.THydrogen-bonded Turntrans-72-14.4-177.5-64.1166.9156.500114.2L347 T350L347-E352 HydrophobicContact CB-CB 4.45Å; L347-E352 HydrophobicContact CD2-CB 4.41Å; L347-E352 VanDerWaalsContact CD2-OE2 3.23Å; L347-E352 WeakPolarHBondContact CD2-OE2 3.18Å; L347-E352 PolarHBondContact O-N 2.77Å; T350-E352 PolarHBondContact OG1-OE2 3.44Å
353A85Confident75.1Confident16 Ų16100.3 Ų100.313%0.13251%0.51CS..THydrogen-bonded Turntrans-108.411.8174.800000113.2L347 Y348 G351L347-A353 HydrophobicContact CB-CB 3.46Å; L347-A353 VanDerWaalsContact CB-CB 3.46Å; L347-A353 HydrophobicContact CD1-CB 4.46Å; L347-A353 PolarHBondContact O-N 3.28Å; Y348-A353 HydrophobicContact CD1-CB 4.06Å; Y348-A353 HydrophobicContact CD2-CB 4.24Å; Y348-A353 HydrophobicContact CE1-CB 3.97Å; Y348-A353 WeakPolarHBondContact CE1-O 3.15Å; Y348-A353 HydrophobicContact CE2-CB 4.14Å; Y348-A353 HydrophobicContact CG-CB 4.2Å; G351-A353 VanDerWaalsContact C-N 3.25Å; G351-A353 PolarHBondContact O-N 3.37Å
354I81.8Confident72.6Confident60 Ų60106.6 Ų106.631%0.30853%0.534SS..SBendtrans-71131.5167.2-57.5173.4000106.2N182 G351 D356N182-I354 HydrophobicContact CB-CD1 4.01Å; N182-I354 HydrophobicContact CB-CG1 4.37Å; G351-I354 WeakPolarHBondContact O-CB 3.23Å; G351-I354 WeakPolarHBondContact O-CG1 3.25Å; G351-I354 PolarHBondContact O-N 3.46Å; I354-D356 PolarHBondContact O-N 3.44Å
355E68.3Low70.1Confident133 Ų133104 Ų10462%0.62155%0.546SS*.  trans-73108.1174.4-65.7178.7178.800105.7D357E355-D357 PolarHBondContact O-N 3.04Å
356D55.5Low67.7Low121 Ų121112.7 Ų112.765%0.64759%0.587SS**  trans-65.896.4177.4-74.5-37.7000108.1I354 D358I354-D356 PolarHBondContact O-N 3.44Å; D356-D358 PolarHBondContact O-N 3.02Å
357D52.5Low65Low131 Ų131117.6 Ų117.670%0.70160%0.604SS**THydrogen-bonded Turntrans-63.80.9172.1-90.3-16.5000113.1E355E355-D357 PolarHBondContact O-N 3.04Å
358D48.9Very low62.8Low143 Ų143119.1 Ų119.177%0.76563%0.625SS**THydrogen-bonded Turntrans-96.9-3.1-173.2-82.2-25.6000114.7D356 D360D356-D358 PolarHBondContact O-N 3.02Å; D358-D360 VanDerWaalsContact C-N 3.29Å; D358-D360 PolarHBondContact O-N 3.12Å
359D46Very low60.3Low146 Ų146125.6 Ų125.678%0.78166%0.661SS**THydrogen-bonded Turntrans-81.8-0.6178.2-83-13000114.2
360D47.8Very low58.1Low149 Ų149129.1 Ų129.180%0.79768%0.682SS**THydrogen-bonded Turntrans-106.310.1-176.6-107.9-2.8000114.9D358D358-D360 VanDerWaalsContact C-N 3.29Å; D358-D360 PolarHBondContact O-N 3.12Å
361Y48.6Very low55.8Low211 Ų211134.1 Ų134.183%0.82770%0.701SS**SBendtrans-131.844.6178.3-75.6-71.9000115.2
362D50.8Low53.7Low164 Ų164141.7 Ų141.788%0.87773%0.73SS**  trans-144.155.1166.7-139.211.6000114.1
363E47.6Very low51.2Low189 Ų189138.2 Ų138.288%0.88373%0.732SS**  trans-161.191.4150-154160.5-159.200112.4
364E43.5Very low49.2Very low196 Ų196146.9 Ų146.992%0.91677%0.77SS**  -174.490.6126.7-101.2-175.9-162.500109.2
365G44Very low47.4Very low71 Ų71152.6 Ų152.673%0.73280%0.796SS**  trans-79.4141.3163.200000111.5
366E45.1Very low46.2Very low183 Ų183155 Ų15586%0.85581%0.807SS**  trans76.6124162.3-48.1-156-168.100115.3
367E39.5Very low45.6Very low184 Ų184153.6 Ų153.686%0.8681%0.812SS**  -135.3129.671.6-69.5-86.6158.300112.2D369E367-D369 PolarHBondContact O-N 2.88Å
368A49.1Very low45Very low91 Ų91154.7 Ų154.775%0.75282%0.818SS**  trans-67.4121.4159.200000108.9
369D44.2Very low44.8Very low147 Ų147155.8 Ų155.879%0.78682%0.818SS**  trans-121.7113158.2-157.814.4000109.4E367E367-D369 PolarHBondContact O-N 2.88Å
370D48.9Very low44.5Very low134 Ų134156.6 Ų156.672%0.71782%0.818SS**  trans-91102.7177.3177.426.7000107
371E45.2Very low44.1Very low180 Ų180155.6 Ų155.684%0.84181%0.812SS**  trans-130.1105.3157.3-82.5-162.7162.500110.8
372E47.8Very low44.3Very low182 Ų182152.1 Ų152.185%0.8581%0.808SS**  trans-44.3148.8162.6-58.3-170159.400113.4
373G36.1Very low44.3Very low71 Ų71149.7 Ų149.773%0.73280%0.801SS**  trans176.572.2168.100000118.1
374E42.5Very low44.6Very low199 Ų199148 Ų14893%0.9380%0.798SS**  trans76.2122.2144.4-59.9-172.3171.800121.4
375E44.7Very low45Very low179 Ų179148 Ų14884%0.83679%0.791SS**  trans-50.4146.4161.1-54.4177.815900112.4
376E42Very low45.4Very low184 Ų184150.6 Ų150.686%0.8679%0.788SS**  -156.1118.7124.8-88.8-51.5163.800108.4
377A43.4Very low45.6Very low92 Ų92145.8 Ų145.876%0.7677%0.773SS**  trans-82.1125.2162.800000107.5
378D40.5Very low46Very low154 Ų154145.9 Ų145.982%0.82477%0.771SS**  trans-147.8144.7144.9-151-0000112.2
379E43.1Very low45.7Very low165 Ų165150.4 Ų150.477%0.77177%0.773SS**  trans-83.9174.8-163-63.3176.9140.800113.4
380E41.1Very low45.5Very low164 Ų164151 Ų15177%0.76678%0.776SS**  trans90.3126.6161.3-52.1-164.9176.400115.6
381N38.5Very low45.1Very low128 Ų128147.7 Ų147.768%0.68477%0.774SS**  cis-168.3122.538.3-122-46.2000108.7
382D52.9Low44.8Very low138 Ų138145.8 Ų145.874%0.73878%0.775SS**  trans-116.2104153.3-170-3.5000108.7D384D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.1Å; D382-D384 VanDerWaalsContact O-N 3.14Å
383P50.4Low45.2Very low112 Ų112142.7 Ų142.773%0.72777%0.77SS**THydrogen-bonded Turntrans-78.517.9-168.930.4-35.3000116.1
384D54.7Low45.8Very low154 Ų154145 Ų14582%0.82477%0.773SS**THydrogen-bonded Turntrans-132.325-173.6-126.4-0.2000117.1D382D382-D384 VanDerWaalsContact C-N 3.26Å; D382-D384 PolarHBondContact O-N 3.1Å; D382-D384 VanDerWaalsContact O-N 3.14Å
385Y51.5Low45.7Very low195 Ų195140 Ų14077%0.76577%0.765SS**  trans-99.9102.8172.5-166.3-107.3000113.1P387Y385-P387 HydrophobicContact CD1-CG 3.94Å; Y385-P387 HydrophobicContact CE1-CB 3.88Å; Y385-P387 HydrophobicContact CE1-CG 3.57Å; Y385-P387 WeakPolarHBondContact O-CD 3.31Å
386D51.6Low45.9Very low127 Ų127140.1 Ų140.168%0.67977%0.766SS**  trans-109103.2171.4-175.65.5000111.6
387P50.4Low46.3Very low81 Ų81137.8 Ų137.853%0.52677%0.768SS.*  trans-103.497171.237.4-29.6000110.5Y385Y385-P387 HydrophobicContact CD1-CG 3.94Å; Y385-P387 HydrophobicContact CE1-CB 3.88Å; Y385-P387 HydrophobicContact CE1-CG 3.57Å; Y385-P387 WeakPolarHBondContact O-CD 3.31Å
388K48.4Very low46.7Very low187 Ų187143.3 Ų143.381%0.81377%0.769SS**  trans-94.4115165.3-83.1-177.1-175.7167.70113.2
389K42.8Very low47Very low185 Ų185144.3 Ų144.380%0.80477%0.769SS**  trans-37.1145.9158.3-64.6170.9171.9172.20114.2
390D40Very low46.9Very low160 Ų160148.9 Ų148.986%0.85679%0.79SS**  -177.7138.496.9-97.5-33.6000111.5
391G39.2Very low47.2Very low64 Ų64148.1 Ų148.166%0.6679%0.791SS**  trans-84.8154179.100000113.6
392T40.3Very low47.7Very low140 Ų140149.2 Ų149.286%0.85980%0.797SS**  trans-171.3142.4138.85.40000109.2
393P54.4Low47.4Very low117 Ų117149.8 Ų149.876%0.7680%0.8SS**  trans-91.6152.4-177.836.2-30.8000111.2
394P48.8Very low47.2Very low121 Ų121152 Ų15279%0.78681%0.805SS**  trans-109.2117.5157.630.3-16.9000109.3
395A41.7Very low46.7Very low93 Ų93151.9 Ų151.977%0.76980%0.803SS**  90.2114.87800000111.8
396E48.3Very low46.4Very low182 Ų182149 Ų14985%0.8581%0.806SS**  trans-49.7137.9166.3-67.1178.2112.800111.5
397C50.2Low46Very low135 Ų135150.6 Ų150.691%0.91282%0.815SS**  trans-136.9113.6155.8-136.10000109.4
398R51.9Low45.7Very low208 Ų208155.9 Ų155.979%0.78584%0.837SS**  trans-83.8163.1170.9-72.1-176.6170.4-161.6-1.8110.9
399Q47.4Very low45.5Very low174 Ų174153.3 Ų153.381%0.81384%0.839SS**  trans88130.2160.1-50.7-178.818.600113.9
400Q40.8Very low45.7Very low261 Ų261150.5 Ų150.5100%1.2284%0.843SS**  cis-134.4032.3-76171.1-10.300113.7

Retrieved 400 of 400 residues in 80 ms (Link to these results)