A0A087WPE6_MOUSE Loading...

Abl interactor 2

AlphaFold DB , UniProt , Accession A0A087WPE6, Species MOUSE (Mus musculus, Mouse), Gene Abi2, Length 337 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1W38.9Very low43.6Very low203 Ų203151.1 Ų151.177%0.76974%0.738SS**  0-44.30-165.372.5000112.6L3 R4 F5W1-L3 VanDerWaalsContact C-N 3.26Å; W1-L3 PolarHBondContact O-N 2.92Å; W1-L3 VanDerWaalsContact O-N 3.12Å; W1-R4 PolarHBondContact O-N 3.11Å; W1-F5 HydrophobicContact CZ2-CE2 4.12Å
2L45.9Very low43.8Very low147 Ų147154.6 Ų154.677%0.7776%0.755SS**Hα-helixtrans-54-29.5175.7-140.872.9000116.1
3L41.3Very low43.9Very low141 Ų141157.2 Ų157.274%0.73876%0.76SS**Hα-helixtrans-80.8-17.9177.7-96.276.9000114.5W1W1-L3 VanDerWaalsContact C-N 3.26Å; W1-L3 PolarHBondContact O-N 2.92Å; W1-L3 VanDerWaalsContact O-N 3.12Å
4R46.6Very low43.7Very low209 Ų209159.1 Ų159.179%0.78977%0.771SS**Hα-helixtrans-83.8-27.6178.2-77.1-157.5-179.4168.72.3113W1 V7 S8W1-R4 PolarHBondContact O-N 3.11Å; R4-V7 PolarHBondContact O-N 3.08Å; R4-S8 VanDerWaalsContact O-CB 3.23Å; R4-S8 WeakPolarHBondContact O-CB 3.24Å; R4-S8 PolarHBondContact O-N 2.92Å
5F45.1Very low43.7Very low142 Ų142153.9 Ų153.962%0.62378%0.775SS**Hα-helixtrans-71.1-33.6172-100.1-87.7000112.8W1 V7 S8W1-F5 HydrophobicContact CZ2-CE2 4.12Å; F5-V7 PolarHBondContact O-N 3.08Å; F5-S8 PolarHBondContact O-N 2.76Å
6K45.6Very low43.8Very low174 Ų174148.7 Ų148.776%0.75777%0.772SS**THydrogen-bonded Turntrans-71.3-17.6175.1-162.3153.672.2166.70113.9
7V40.5Very low44Very low111 Ų111149.6 Ų149.667%0.67378%0.777SS**THydrogen-bonded Turntrans-100.8-22.9176.5170.90000112.3R4 F5 T9 Q10R4-V7 PolarHBondContact O-N 3.08Å; F5-V7 PolarHBondContact O-N 3.08Å; V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.1Å; V7-Q10 PolarHBondContact O-N 3.13Å
8S35.7Very low44Very low95 Ų95147.8 Ų147.866%0.66478%0.776SS**THydrogen-bonded Turntrans-845.1-176.8-160.50000115.1R4 F5 Q10R4-S8 VanDerWaalsContact O-CB 3.23Å; R4-S8 WeakPolarHBondContact O-CB 3.24Å; R4-S8 PolarHBondContact O-N 2.92Å; F5-S8 PolarHBondContact O-N 2.76Å; S8-Q10 VanDerWaalsContact C-N 3.33Å
9T49.3Very low43.9Very low124 Ų124152.6 Ų152.676%0.76178%0.783SS**THydrogen-bonded Turntrans-88.7-1.216845.50000113V7V7-T9 VanDerWaalsContact C-N 3.3Å; V7-T9 PolarHBondContact O-N 3.1Å
10Q48Very low43.8Very low175 Ų175151.1 Ų151.182%0.81878%0.781SS**SBendtrans-124.230.3-173.5-125-171.833.300115V7 S8V7-Q10 PolarHBondContact O-N 3.13Å; S8-Q10 VanDerWaalsContact C-N 3.33Å
11N43.3Very low43.7Very low141 Ų141148.9 Ų148.975%0.75477%0.774SS**  trans-161.464.3164.8-141.8-11.7000116.1
12M45.1Very low44.1Very low193 Ų193144.4 Ų144.495%0.95177%0.771SS**  trans-114.377.7157.3-78.2-177.4147.700108.7
13K46.3Very low44.2Very low188 Ų188141.7 Ų141.782%0.81776%0.763SS**  trans-103.785.5168.1-177.976.3172.2-165.80108.2
14M40.6Very low44.7Very low185 Ų185141.4 Ų141.491%0.91177%0.767SS**SBendtrans-153.8106.8150.8-15963.8132.400110.2
15G44.3Very low45.2Very low81 Ų81138.2 Ų138.284%0.83576%0.761SS**SBendtrans52.1101152.100000120.1
16G44.7Very low46Very low70 Ų70139.5 Ų139.572%0.72277%0.767SS**SBendtrans133.699.2151.500000114.6
17L47.1Very low47.2Very low165 Ų165133.6 Ų133.686%0.86475%0.746SS**SBendtrans75.7126.3173.9-51.8170.8000115.3R19L17-R19 PolarHBondContact O-N 3.44Å; L17-R19 VanDerWaalsContact O-N 3.08Å
18P43.9Very low49Very low117 Ų117130.9 Ų130.976%0.7673%0.731SS**  trans-64.7116175.827.6-31.4000108.3T20P18-T20 PolarHBondContact O-N 3.08Å
19R42.6Very low51.5Low239 Ų239130.7 Ų130.790%0.90273%0.729SS**  trans-45.5116.7160-84.8171.867114.6-3.1106.1L17L17-R19 PolarHBondContact O-N 3.44Å; L17-R19 VanDerWaalsContact O-N 3.08Å
20T42Very low53.2Low122 Ų122126.8 Ų126.875%0.74871%0.706SS**  trans-54.1148.2-178.868.30000107.7P18P18-T20 PolarHBondContact O-N 3.08Å
21T40.7Very low54.9Low104 Ų104120.3 Ų120.364%0.63868%0.679SS**  trans-30143.5165.945.80000112P23T21-P23 VanDerWaalsContact O-N 3.16Å
22P48.5Very low56.7Low109 Ų109122.2 Ų122.271%0.70869%0.686SS**SBendtrans-46.5132.3170.724.1-33.7000106.6T24P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.41Å; P22-T24 PolarHBondContact O-OG1 2.94Å
23P47.6Very low57.8Low90 Ų90115.2 Ų115.258%0.58466%0.655SS**  trans-60.2102.3-172.324.6-31.5000106.9T21 Q25T21-P23 VanDerWaalsContact O-N 3.16Å; P23-Q25 HydrophobicContact CB-CB 4.1Å; P23-Q25 PolarHBondContact O-N 3.35Å
24T50.8Low58.4Low136 Ų136109.3 Ų109.383%0.83465%0.648SS**  trans-68.915163.1-120000110P22 K26P22-T24 VanDerWaalsContact C-N 3.29Å; P22-T24 PolarHBondContact O-N 3.41Å; P22-T24 PolarHBondContact O-OG1 2.94Å; T24-K26 PolarHBondContact O-N 3.46Å
25Q57.5Low58.9Low141 Ų141109.5 Ų109.566%0.65964%0.644SS**SBendtrans-73.8113.9174.9-156173.669.900105.8P23P23-Q25 HydrophobicContact CB-CB 4.1Å; P23-Q25 PolarHBondContact O-N 3.35Å
26K63.3Low59Low170 Ų170108.8 Ų108.874%0.73964%0.637SS**  trans-44.6130.1171.3-179.5-178.2179.2-1740108.2T24T24-K26 PolarHBondContact O-N 3.46Å
27P69.1Low59.2Low50 Ų50111.5 Ų111.533%0.32564%0.639SS.*PPolyproline II helixtrans-55.3138.8-178.521.6-32.6000109.6S29 Y284 Y328P27-S29 PolarHBondContact O-N 3.38Å; P27-Y284 HydrophobicContact CB-CD1 4.07Å; P27-Y284 HydrophobicContact CB-CD2 4.41Å; P27-Y284 HydrophobicContact CB-CG 3.92Å; P27-Y328 HydrophobicContact CB-CE1 3.85Å; P27-Y328 HydrophobicContact CG-CE1 4.49Å
28P79.6Confident59.1Low54 Ų54111.6 Ų111.635%0.35164%0.64SS.*PPolyproline II helixtrans-56.1133.9178.423.1-32.5000109.3Y284 N327 Y328P28-Y284 HydrophobicContact CG-CD2 4.46Å; P28-Y284 HydrophobicContact CG-CE2 4.08Å; P28-N327 WeakPolarHBondContact CG-ND2 3.48Å; P28-N327 PolarHBondContact O-ND2 3.1Å; P28-Y328 WeakPolarHBondContact O-CE2 2.95Å; P28-Y328 PolarHBondContact O-OH 3.03Å
29S86.9Confident58.9Low90 Ų90109.1 Ų109.163%0.62964%0.636SS**PPolyproline II helixtrans-59.3140.1-178.3-61.50000111.1P27P27-S29 PolarHBondContact O-N 3.38Å
30P85.8Confident59.1Low43 Ų43103.6 Ų103.628%0.27963%0.634SS.*PPolyproline II helixtrans-62.2151177.228.7-35.7000110M32 Y286 W312 P325 Y328P30-M32 PolarHBondContact O-N 3.12Å; P30-Y286 HydrophobicContact CB-CE2 4.31Å; P30-Y286 HydrophobicContact CG-CE2 4.24Å; P30-W312 HydrophobicContact CB-CH2 4.46Å; P30-W312 HydrophobicContact CB-CZ2 4.11Å; P30-P325 HydrophobicContact CB-CB 3.56Å; P30-P325 HydrophobicContact CB-CG 3.89Å; P30-Y328 HydrophobicContact CB-CE2 4.22Å; P30-Y328 WeakPolarHBondContact CD-OH 3.3Å
31P83.1Confident59Low39 Ų39102.9 Ų102.925%0.25363%0.634SS.*PPolyproline II helixtrans-55.1141.5171.118.4-26.6000110.3S33 D310 W312 N327P31-S33 PolarHBondContact O-N 3.4Å; P31-D310 VanDerWaalsContact CB-O 3.3Å; P31-D310 WeakPolarHBondContact CB-O 3.23Å; P31-W312 HydrophobicContact CG-CG 4.49Å; P31-W312 WeakPolarHBondContact O-CZ2 3.28Å; P31-W312 PolarHBondContact O-NE1 3.04Å; P31-N327 WeakPolarHBondContact CD-OD1 3.3Å
32M81.8Confident59.2Low181 Ų181102 Ų10289%0.89265%0.645SS**  trans-68.3116173.4-71.7-77.7176.300108.1P30 G34P30-M32 PolarHBondContact O-N 3.12Å; M32-G34 PolarHBondContact O-N 3.06Å
33S67.2Low58.8Low45 Ų45102 Ų10232%0.31565%0.648SS.*  trans-56.9112.6174.2-38.70000108.3P31 K35 K290 W312P31-S33 PolarHBondContact O-N 3.4Å; S33-K35 PolarHBondContact O-N 2.82Å; S33-K290 PolarHBondContact OG-NZ 3.21Å; S33-W312 VanDerWaalsContact OG-CE2 3.25Å; S33-W312 WeakPolarHBondContact OG-CZ2 3.33Å; S33-W312 PolarHBondContact OG-NE1 3.33Å
34G59.8Low59Low65 Ų65103.7 Ų103.767%0.6766%0.662SS**  trans-63.5103.5-173.900000110.8M32 G36M32-G34 PolarHBondContact O-N 3.06Å; G34-G36 PolarHBondContact O-N 2.86Å
35K50.9Low58.5Low188 Ų188100.7 Ų100.782%0.81766%0.658SS**  trans-71.682.5166.4-170.9111.274.1-172.80108.7S33 T37S33-K35 PolarHBondContact O-N 2.82Å; K35-T37 PolarHBondContact O-N 2.71Å
36G47.1Very low58Low66 Ų6697.6 Ų97.668%0.6866%0.664SS**  trans-65.984.2161.500000109.5G34 L38G34-G36 PolarHBondContact O-N 2.86Å; G36-L38 PolarHBondContact O-N 2.71Å
37T47.4Very low56.9Low127 Ų12793.8 Ų93.878%0.77966%0.658SS**  trans-78.168.3162.3-26.70000107.3K35 G39K35-T37 PolarHBondContact O-N 2.71Å; T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 2.81Å; T37-G39 VanDerWaalsContact O-N 3.15Å
38L46.4Very low55.6Low167 Ų16798.6 Ų98.687%0.87468%0.676SS**  trans-81.988.2166.8-79.9167.8000107.1G36 S40G36-L38 PolarHBondContact O-N 2.71Å; L38-S40 PolarHBondContact O-N 2.79Å
39G39.5Very low54Low65 Ų65101.9 Ų101.967%0.6770%0.698SS**  trans-55.1130.8165.200000109.8T37 S41T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 2.81Å; T37-G39 VanDerWaalsContact O-N 3.15Å; G39-S41 PolarHBondContact O-N 3.2Å; G39-S41 VanDerWaalsContact O-N 3.07Å
40S47.1Very low51.7Low123 Ų123102.9 Ų102.986%0.8670%0.704SS**SBendtrans-58.9106.6160.3-168.10000108.2L38L38-S40 PolarHBondContact O-N 2.79Å
41S39.7Very low49.7Very low108 Ų108105.8 Ų105.876%0.75573%0.726SS**  trans-174.794.3157.5-78.10000108.7G39 S43G39-S41 PolarHBondContact O-N 3.2Å; G39-S41 VanDerWaalsContact O-N 3.07Å; S41-S43 PolarHBondContact O-N 3.03Å; S41-S43 VanDerWaalsContact O-N 3.08Å
42G43.8Very low47.7Very low84 Ų84115.9 Ų115.987%0.86676%0.759SS**  trans-62.4106.4156.700000108.5
43S41.5Very low45.8Very low110 Ų110112.2 Ų112.277%0.76975%0.751SS**  trans-151.8119157.7-88.80000109.7S41S41-S43 PolarHBondContact O-N 3.03Å; S41-S43 VanDerWaalsContact O-N 3.08Å
44S50.5Low44.7Very low125 Ų125115.6 Ų115.687%0.87478%0.775SS**  trans-30.1133.6167.150.10000114.9
45G40Very low44Very low74 Ų74118 Ų11876%0.76378%0.781SS**  trans164.182.7164.200000112.1
46G47.8Very low44.1Very low75 Ų75119.8 Ų119.877%0.77378%0.783SS**  trans-60.3137.4170.300000111.1
47S40.8Very low43.7Very low90 Ų90125.4 Ų125.463%0.62979%0.792SS**  trans-176.398.7164.6-90.50000110.7
48H40Very low43.3Very low151 Ų151126.1 Ų126.170%0.69979%0.791SS**  trans41.9112.8143.841.3-115.9000120.1S50H48-S50 PolarHBondContact O-N 2.95Å
49P47.1Very low43.1Very low124 Ų124124 Ų12481%0.80579%0.79SS**  trans-73.6109.8157.730.1-30000109.1S51P49-S51 PolarHBondContact O-N 2.85Å
50S39.2Very low43.5Very low110 Ų110124.1 Ų124.177%0.76979%0.791SS**  trans-65.9102.4161.9-66.40000108H48 R52H48-S50 PolarHBondContact O-N 2.95Å; S50-R52 PolarHBondContact O-N 3.15Å
51S42.6Very low43.5Very low104 Ų104123.6 Ų123.673%0.72779%0.787SS**  trans-57.698.5168.2-58.20000109.1P49 S53P49-S51 PolarHBondContact O-N 2.85Å; S51-S53 PolarHBondContact O-N 3.19Å
52R41.7Very low44Very low251 Ų251122.3 Ų122.395%0.94779%0.791SS**  trans-7386161.4-112-178.7158-169.3-5.1107.1S50 S54S50-R52 PolarHBondContact O-N 3.15Å; R52-S54 PolarHBondContact O-N 2.72Å; R52-S54 VanDerWaalsContact O-N 3.1Å
53S42.1Very low44.3Very low105 Ų105123.9 Ų123.973%0.73479%0.788SS**  trans-60.4107.3168.2-58.30000109.1S51 S55S51-S53 PolarHBondContact O-N 3.19Å; S53-S55 PolarHBondContact O-N 3.05Å
54S42.9Very low44.7Very low115 Ų115125.9 Ų125.980%0.80480%0.796SS**  trans-67.687.4159.449.60000107.9R52 R56R52-S54 PolarHBondContact O-N 2.72Å; R52-S54 VanDerWaalsContact O-N 3.1Å; S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 3.09Å
55S46.3Very low44.7Very low115 Ų115123.1 Ų123.180%0.80479%0.787SS**  trans-67.195.3167.9-175.50000108.7S53S53-S55 PolarHBondContact O-N 3.05Å
56R52Low45.2Very low226 Ų226125.5 Ų125.585%0.85379%0.787SS**  trans-137.290158.5-85.7-172.1166.2-145-2.1106.1S54S54-R56 VanDerWaalsContact C-N 3.34Å; S54-R56 PolarHBondContact O-N 3.09Å
57E39.2Very low45.2Very low185 Ų185128 Ų12886%0.86479%0.789SS**  170.1147.6129.955.7-162.474.900112
58N39.6Very low45.5Very low142 Ų142131.4 Ų131.476%0.75980%0.799SS**  trans81.185.4153.9-151.57.4000118.5G60N58-G60 PolarHBondContact OD1-N 2.99Å
59S42.2Very low45.8Very low123 Ų123128.4 Ų128.486%0.8680%0.8SS**  trans-113.792.8140.3-70.30000108.1S61S59-S61 PolarHBondContact O-N 3.34Å
60G46.6Very low45.7Very low67 Ų67128.8 Ų128.869%0.69180%0.8SS**  trans-60.9113.8155.700000109N58N58-G60 PolarHBondContact OD1-N 2.99Å
61S48.4Very low46.1Very low112 Ų112129.3 Ų129.378%0.78380%0.801SS**  trans-126.8111.9157.3-1030000107.4S59 S63S59-S61 PolarHBondContact O-N 3.34Å; S61-S63 PolarHBondContact O-N 2.92Å
62G50.3Low46.8Very low81 Ų81130.6 Ų130.684%0.83580%0.804SS**  trans-58.4133.7172.200000110.2
63S49.7Very low47.3Very low116 Ų116124.4 Ų124.481%0.81180%0.797SS**  trans-148.8133.4164.6-66.80000107.8S61S61-S63 PolarHBondContact O-N 2.92Å
64V50.3Low48Very low152 Ų152124.8 Ų124.892%0.92180%0.799SS**  trans-55.5147.6-170.3173.60000112.4
65G50.3Low48.7Very low68 Ų68124.6 Ų124.670%0.70180%0.795SS**  trans-67.5154.9-162.900000118
66V50.7Low48.9Very low124 Ų124124.9 Ų124.975%0.75280%0.795SS**  trans-143.7125.5153.9-175.60000105.9I68V66-I68 PolarHBondContact O-N 3.44Å
67P47.8Very low48.6Very low127 Ų127119.5 Ų119.583%0.82579%0.792SS**  trans-69.6114.2174.627.4-31.4000109.4A69P67-A69 PolarHBondContact O-N 3.4Å
68I46.8Very low49.1Very low161 Ų161117 Ų11783%0.82679%0.788SS**PPolyproline II helixtrans-71.8116.1167.8-62.2-179.7000107V66 V70V66-I68 PolarHBondContact O-N 3.44Å; I68-V70 PolarHBondContact O-N 3.11Å
69A46.1Very low49.4Very low88 Ų88119.2 Ų119.273%0.72779%0.792SS**PPolyproline II helixtrans-59.2124.1177.100000110.6P67P67-A69 PolarHBondContact O-N 3.4Å
70V44.4Very low49.8Very low132 Ų132118.7 Ų118.780%0.879%0.786SS**PPolyproline II helixtrans-70130.6169.3-134.50000108I68 T72I68-V70 PolarHBondContact O-N 3.11Å; V70-T72 PolarHBondContact O-N 2.97Å; V70-T72 VanDerWaalsContact O-N 3.07Å
71P48.2Very low49.5Very low121 Ų121120.2 Ų120.279%0.78679%0.792SS**  trans-67.3109.7170.6-13.927.5000109
72T56.9Low49.5Very low131 Ų131121.1 Ų121.180%0.80480%0.795SS**PPolyproline II helixtrans-57.4125.7167.611.40000109.8V70 S74V70-T72 PolarHBondContact O-N 2.97Å; V70-T72 VanDerWaalsContact O-N 3.07Å; T72-S74 PolarHBondContact O-N 3.44Å
73P52.8Low49Very low122 Ų122122.5 Ų122.579%0.79280%0.798SS**PPolyproline II helixtrans-69.7130.8170.327.4-31.7000110.1
74S57.5Low48.3Very low113 Ų113120.5 Ų120.579%0.7980%0.796SS**PPolyproline II helixtrans-63.6139.7179.4-55.50000112.1T72T72-S74 PolarHBondContact O-N 3.44Å
75P56.8Low47.8Very low110 Ų110119.5 Ų119.571%0.71480%0.795SS**PPolyproline II helixtrans-73.3153.4171.130.4-33.6000111.5
76P50.3Low47.2Very low122 Ų122121.3 Ų121.379%0.79280%0.804SS**PPolyproline II helixtrans-70.4130.8179.128.2-33.2000111.6V78P76-V78 PolarHBondContact O-N 2.54Å
77S45.5Very low46.4Very low113 Ų113118.9 Ų118.979%0.7980%0.804SS**  trans-65.7109.7173.4-70.80000111.1
78V49.7Very low46.3Very low131 Ų131119.7 Ų119.779%0.79481%0.806SS**  trans-114.1110.8158.4174.70000106.8P76P76-V78 PolarHBondContact O-N 2.54Å
79F47Very low46.9Very low189 Ų189117.3 Ų117.383%0.82980%0.802SS**  trans-108.3135.4167.2-94.9-83000110
80P50.6Low47.3Very low113 Ų113119.2 Ų119.273%0.73481%0.807SS**  trans-84.1146.3174.433.3-31.4000111.5
81A39.6Very low47.2Very low99 Ų99120.5 Ų120.582%0.81881%0.808SS**  trans-73149.6175.100000112.5
82P48.3Very low47.3Very low131 Ų131120.2 Ų120.285%0.85181%0.806SS**  trans-105.1142.815934-24.3000112.2
83A40.2Very low46.2Very low110 Ų110117.7 Ų117.791%0.90980%0.799SS**  trans-95.8154.5-179.800000113
84G35.4Very low45.5Very low73 Ų73118 Ų11875%0.75380%0.799SS**  trans170.896.4160.800000109.8
85S39.3Very low44.5Very low131 Ų131118.1 Ų118.192%0.91680%0.799SS**  85.211073.4-90.20000115.7
86A38.1Very low43.5Very low107 Ų107116.6 Ų116.688%0.88480%0.796SS**  trans156.2101.4140.600000109
87G33.2Very low42.7Very low72 Ų72116 Ų11674%0.74280%0.795SS**  92.8126.68700000110
88T45Very low42.5Very low144 Ų144116.5 Ų116.588%0.88379%0.793SS**  cis-169.9174.316.69.10000108.3
89P60.6Low42.3Very low112 Ų112116.1 Ų116.173%0.72779%0.793SS**  trans-106.2-170.6-149.348.2-41.5000113.9
90P54.7Low41.9Very low128 Ų128113 Ų11383%0.83179%0.789SS**  -142.9164.266.332.8-9.8000117.8
91L40.7Very low42.5Very low158 Ų158112.5 Ų112.583%0.82779%0.787SS**  trans-65.5172.4167.4-86164.7000112.8
92P50.3Low42.1Very low116 Ų116115.6 Ų115.675%0.75379%0.789SS**  cis-146.9163.442.540.1-18.1000120.4
93A35.2Very low41.7Very low78 Ų78115.4 Ų115.465%0.64579%0.785SS**  trans42.4133.4136.200000118.6
94T38Very low42.1Very low128 Ų128115.9 Ų115.979%0.78578%0.778SS**  cis-164.6146.149.644.30000111.2
95S36.1Very low42.1Very low115 Ų115116.8 Ų116.880%0.80478%0.779SS**  trans-0.8158132.7-61.90000118
96A35.3Very low41.7Very low79 Ų79117.1 Ų117.165%0.65378%0.776SS**  cis172.1172.6-8.500000103.7
97S33Very low41.5Very low109 Ų109118 Ų11876%0.76277%0.77SS**  trans83.9113.6149.4-550000119.4
98V43.2Very low42.2Very low123 Ų123120.7 Ų120.775%0.74577%0.774SS**  trans-20.2148.7136.2-166.20000113.8T100V98-T100 HydrophobicContact CG1-CG2 4.41Å
99P44.5Very low41.7Very low123 Ų123119.2 Ų119.280%0.79977%0.77SS**  -136.1153.6118.630.4-14.4000114.7
100T38.2Very low40.5Very low123 Ų123119.3 Ų119.376%0.75577%0.773SS**  trans-79.5-151.7174.239.10000112.2V98V98-T100 HydrophobicContact CG1-CG2 4.41Å
101P64.4Low39.4Very low104 Ų104119.2 Ų119.268%0.67577%0.77SS**  -112.3-170.6-102.736.3-15.7000113.1
102L31.3Very low39.2Very low164 Ų164115.6 Ų115.686%0.85976%0.763SS**  trans152.7136135.8-82151.9000114.6
103V38.8Very low39.3Very low127 Ų127115.9 Ų115.977%0.7777%0.765SS**  trans-88.4163.9157.7-67.70000108.6
104P49.3Very low39.2Very low119 Ų119119.5 Ų119.577%0.77377%0.773SS**  -157.7167.863.238.8-14.4000120.6
105A34.1Very low39Very low93 Ų93117.6 Ų117.677%0.76977%0.77SS**  trans63134.314200000124.4
106T31.8Very low38.7Very low138 Ų138116.3 Ų116.385%0.84777%0.767SS**  167.1136.3112.1-68.40000113.3
107V34.4Very low38.6Very low126 Ų126117.4 Ų117.476%0.76478%0.776SS**  trans-93.3165.1169.4-65.80000110.6
108P46.4Very low38.3Very low128 Ų128116.3 Ų116.383%0.83178%0.782SS**  -153.8174.183.337.5-15.3000117.4
109S35Very low37.6Very low113 Ų113114.4 Ų114.479%0.7979%0.787SS**  trans-76161.5-175.8-39.10000117.4
110S34.9Very low37.1Very low113 Ų113113.1 Ų113.179%0.7979%0.787SS**  trans165.8156.7133-89.70000110.7
111T32.9Very low37Very low126 Ų126116.5 Ų116.577%0.77379%0.794SS**  cis-179.9147.3-17.2-79.40000103.6
112A37Very low35.5Very low82 Ų82115.7 Ų115.768%0.67879%0.791SS**  trans-63.2177.7176.700000114
113P51.7Low35.7Very low123 Ų123115.2 Ų115.280%0.79979%0.788SS**  -139.8142.494.529.8-11.6000112.2
114D32.2Very low35.5Very low154 Ų154112.8 Ų112.882%0.82478%0.782SS**  82.2140.367.9-158.7-103.8000115.7
115A33.8Very low34.8Very low87 Ų87115.1 Ų115.172%0.71979%0.787SS**  trans93.8141.6165.900000118.2
116A31.4Very low34.7Very low89 Ų89114 Ų11474%0.73679%0.786SS**  cis175.2152.8-31.300000106.1
117A31.9Very low34.7Very low102 Ų102116.6 Ų116.684%0.84379%0.786SS**  trans69.6111.8150.100000120.9
118G27.7Very low34.7Very low86 Ų86115.8 Ų115.889%0.88778%0.781SS**  84135.4101.300000119.1
119G28Very low34.4Very low83 Ų83114.4 Ų114.486%0.85677%0.774SS**  trans134.5124.3153.100000115.3
120A34.6Very low35Very low96 Ų96114.9 Ų114.979%0.79377%0.774SS**  trans-78.2-172.3-172.300000115.3
121Q35Very low35.1Very low194 Ų194115.3 Ų115.391%0.90777%0.772SS**  trans104.5146.5162.1-47.5-137.1-50.700114.4
122S33.3Very low36.2Very low86 Ų86114.3 Ų114.360%0.60177%0.768SS**  cis166.1143.3-20.1175.80000105.1
123L35.6Very low36.7Very low155 Ų155116.4 Ų116.481%0.81278%0.775SS**  trans67.2113.3160.8-64.6146.6000116.9
124A35.1Very low35.9Very low76 Ų76116.5 Ų116.563%0.62877%0.773SS**  93.213869.400000113.5
125D33.3Very low35.9Very low167 Ų167116.8 Ų116.889%0.89377%0.773SS**  trans95.2126.4155.1-59.1-59000121.7
126G31.9Very low35.9Very low71 Ų71117.7 Ų117.773%0.73277%0.774SS**  trans12070.4149.100000115.6
127F32.4Very low35.9Very low192 Ų192119.1 Ų119.184%0.84278%0.778SS**  80.9132.691.6-159.2-105.3000115.8
128T35Very low36.1Very low109 Ų109121.8 Ų121.867%0.66978%0.779SS**  trans84.9106.7160.910.10000121.3
129S39.7Very low37.3Very low99 Ų99122.8 Ų122.869%0.69277%0.77SS**  trans-76.1151.4144-165.50000108.8
130P48Very low38Very low122 Ų122123.8 Ų123.879%0.79276%0.761SS**  -151.4156.486.635.8-15000116.7
131T36.4Very low38.1Very low122 Ų122125.9 Ų125.975%0.74876%0.764SS**  trans-75.2173.8161.4-48.10000111.1
132P57.3Low37.9Very low106 Ų106120.3 Ų120.369%0.68876%0.759SS**  cis-122.1-162.4-34.932.9-11.5000112.2
133P46.3Very low38.4Very low126 Ų126125.5 Ų125.582%0.81877%0.773SS**  -145.1164.690.336.6-18.1000116.7
134V35.9Very low39Very low125 Ų125122.8 Ų122.876%0.75877%0.765SS**  trans-89.4151.8172171.50000110.4
135I31.5Very low39.2Very low160 Ų160125.7 Ų125.782%0.82178%0.775SS**  trans174.5104.1142.8-86.6152.2000107.1
136S32.6Very low39.9Very low106 Ų106124.9 Ų124.974%0.74177%0.766SS**  69.7110.994.6-172.20000116.3
137S33.4Very low40.4Very low118 Ų118131.2 Ų131.283%0.82577%0.773SS**  trans-173.3125.5141.224.40000112.2
138N35.3Very low40.9Very low159 Ų159131.4 Ų131.485%0.8577%0.77SS**  trans-124.8170.8162.8-111.943.9000106.1
139P53.5Low41.1Very low107 Ų107131.9 Ų131.970%0.69578%0.778SS**  cis-128.1-165.7-28.642.7-24.6000109.7
140P42.4Very low41.6Very low104 Ų104134.8 Ų134.868%0.67578%0.782SS**  -155.6162.37042.8-20.6000118
141T35.5Very low41.2Very low139 Ų139137 Ų13785%0.85379%0.787SS**  trans48.8125.2140.950.60000123.2
142G31.8Very low41.8Very low78 Ų78142.1 Ų142.180%0.80479%0.793SS**  trans157.490.1147.300000115.9
143H44.1Very low41.4Very low194 Ų194142.8 Ų142.890%0.89880%0.797SS**  trans-84.9172.6171.8-91.3-73.7000112
144P47.7Very low41.3Very low99 Ų99140.9 Ų140.964%0.64379%0.792SS**  trans-96.3163.1-132.138.6-38.3000115.9
145V40.3Very low41.4Very low137 Ų137140.9 Ų140.983%0.8380%0.798SS**  trans-93110168.5-163.80000109.2
146Q46.4Very low41.8Very low150 Ų150143.3 Ų143.370%0.70180%0.797SS**PPolyproline II helixtrans-98.1130.1168-73.4-79-38.100108.4
147F43.2Very low42.1Very low203 Ų203145.2 Ų145.289%0.8979%0.794SS**PPolyproline II helixtrans-82.8128.9170.8-97.6-93.9000110.5
148Y42Very low42.6Very low196 Ų196145.3 Ų145.377%0.76979%0.79SS**PPolyproline II helixtrans-90.4139.1173.2-68.1-89.6000111.2
149S40Very low43.6Very low120 Ų120143.2 Ų143.284%0.83979%0.785SS**  trans-153.992143.3-94.20000108.8
150M49.5Very low43.3Very low160 Ų160143.7 Ų143.779%0.78879%0.787SS**  66.387.792.2-127.477.48200112.9
151N40Very low43.2Very low168 Ų168144.9 Ų144.990%0.89879%0.793SS**  trans-161.5102.9132-98.911.7000109.7
152R50.1Low43.3Very low229 Ų229145.8 Ų145.886%0.86479%0.791SS**  trans-81170.7163.7-90.8-177.7-178.8-1582.1109.2
153P48.2Very low43.5Very low120 Ų120145.8 Ų145.878%0.77979%0.791SS**  cis-133.9136.927.532.3-10.7000115.3
154A43Very low43.3Very low87 Ų87140.6 Ų140.672%0.71979%0.79SS**  63.3107.68000000115.7
155S39.4Very low43Very low125 Ų125140.9 Ų140.987%0.87479%0.794SS**  trans-133.6111.315160.80000108.9
156R38.9Very low43.4Very low210 Ų210142 Ų14279%0.79280%0.795SS**  trans-140.6119.1168.5-158.8-171.6-176-1335.8108.1
157H39.2Very low43.8Very low146 Ų146139.4 Ų139.468%0.67679%0.791SS**  158.8135.3123.1-100.7-81.2000113.1
158T44.5Very low43.6Very low121 Ų121140.3 Ų140.374%0.74279%0.79SS**  trans-97.1175.5153.252.70000109.3
159P55Low43.7Very low115 Ų115140.7 Ų140.775%0.74779%0.79SS**  -113.6-172.2-78.439-22000111.5
160P48.8Very low43.9Very low116 Ų116144.4 Ų144.475%0.75379%0.786SS**  -153.9161.987.536.5-14.5000118.8
161T39.8Very low43.6Very low129 Ų129142.1 Ų142.179%0.79178%0.783SS**  trans32.1131.1145.8-43.30000123.9
162I38.3Very low43.8Very low159 Ų159139.3 Ų139.382%0.81577%0.773SS**  144118.7124.8-67.4-179.8000113.1
163G35.6Very low43.1Very low78 Ų78134.2 Ų134.280%0.80477%0.773SS**  trans28.9125.114000000122.4
164G38.4Very low42.6Very low85 Ų85136.4 Ų136.488%0.87678%0.776SS**  trans-176.9132.7163.400000112.3
165S42.5Very low42.2Very low104 Ų104138 Ų13873%0.72778%0.777SS**  trans-109.1152-155.754.10000114.8
166L48.5Very low42.1Very low160 Ų160137.8 Ų137.884%0.83878%0.776SS**  trans78.6168.5150.5-64.6166.8000119.3
167P55.7Low41.9Very low96 Ų96136.2 Ų136.262%0.62378%0.777SS**  cis-136.4159.4-39.133.7-17.6000113
168Y37.8Very low41.8Very low223 Ų223135.6 Ų135.688%0.87578%0.784SS**  trans177.797.2142.7-94.3-70.8000107.1
169R45.2Very low41.2Very low203 Ų203135.1 Ų135.177%0.76679%0.786SS**  54.6130.3103.5-84.4-88.9-155.2-106.41.2113.2
170R42.9Very low40.4Very low199 Ų199137.6 Ų137.675%0.75179%0.792SS**  cis-178.1178.1-0.3-129-166.3-179.7166.6-1.7104.3
171P43.3Very low39.7Very low112 Ų112140.2 Ų140.273%0.72779%0.794SS**  cis-134.3171.65.839.2-19.2000116.6
172P44.8Very low39.7Very low108 Ų108141.6 Ų141.670%0.70180%0.797SS**  trans-99.4155.7172.737.9-29.4000113
173S35.6Very low39.7Very low122 Ų122141.5 Ų141.585%0.85379%0.793SS**  trans-156.1135.6162.2-59.10000105
174I38.2Very low39.7Very low166 Ų166144.9 Ų144.985%0.85179%0.789SS**  cis-158.8143.512.7-177.9164.5000106.8
175T33.7Very low39.5Very low121 Ų121148.3 Ų148.374%0.74279%0.788SS**  trans-71.9137.2171.5-79.70000110.8
176S37.7Very low39.1Very low120 Ų120146.8 Ų146.884%0.83979%0.789SS**  trans-140.291.3142.655.60000109
177Q35.4Very low38.6Very low177 Ų177142.2 Ų142.283%0.82778%0.78SS**  trans-78.8133.4156-83.8-171.2-30.900108.1
178T35.6Very low38.3Very low133 Ų133143.9 Ų143.982%0.81679%0.791SS**  trans-152.6113144.9-58.90000109.4
179S33Very low38.2Very low111 Ų111142.5 Ų142.578%0.77679%0.79SS**  trans74.6111.5146.1-53.20000121.9
180L37.6Very low38Very low168 Ų168143.7 Ų143.788%0.8880%0.796SS**  trans-58.1137.7153.3-67157.9000111.4
181Q34.7Very low37.4Very low170 Ų170141.7 Ų141.779%0.79480%0.8SS**  trans-151.8106.6144.5-160.294.5100108.8Q183Q181-Q183 PolarHBondContact O-N 3.38Å
182N38.6Very low37.1Very low159 Ų159143.9 Ų143.985%0.8580%0.801SS**  trans-62123.6161.4-101.4-1.2000108.5
183Q38.9Very low36.9Very low157 Ų157145.8 Ų145.873%0.73481%0.805SS**  trans-142.2143.8154.5-77.5-59-17.200110.4Q181Q181-Q183 PolarHBondContact O-N 3.38Å
184M36.5Very low37.5Very low148 Ų148145.5 Ų145.573%0.72980%0.8SS**  trans-73.8162.9-167.853.573.3156.900115
185N33.3Very low37.8Very low158 Ų158143.8 Ų143.885%0.84580%0.797SS**  trans34.2127.6150.2-77.152.5000121.3
186G34.7Very low38.3Very low72 Ų72143.6 Ų143.674%0.74280%0.801SS**  trans138.7113.5130.600000118
187G38.5Very low39.1Very low64 Ų64146 Ų14666%0.6680%0.803SS**  trans80.714713500000119.9
188P47.8Very low39.9Very low131 Ų131142 Ų14285%0.85180%0.801SS**  trans-89.3137.8-166.635.8-31.6000112.5
189F36.4Very low41Very low194 Ų194141.2 Ų141.285%0.85180%0.798SS**  trans-106114.9172.1-70.1-81.5000110.8
190Y40.1Very low42.4Very low228 Ų228141.5 Ų141.589%0.89480%0.797SS**  trans-60129.4158-105.9-101.4000108.7
191N31.7Very low43.7Very low157 Ų157138.9 Ų138.984%0.8479%0.79SS**  trans-107.4113.1169.9-131.3-42000109.6
192Q36.9Very low44.5Very low158 Ų158136.9 Ų136.974%0.73879%0.792SS**PPolyproline II helixtrans-75.9130.4177.6-75.3-8117.700110.1
193N40.7Very low45.3Very low147 Ų147135 Ų13579%0.78679%0.791SS**PPolyproline II helixtrans-66.3139.3165.6-106.289000110.9
194P48Very low45.7Very low116 Ų116134.7 Ų134.775%0.75379%0.793SS**PPolyproline II helixtrans-93.7145.215031.9-26.1000111
195V44.2Very low46.3Very low131 Ų131135.2 Ų135.279%0.79480%0.798SS**PPolyproline II helixtrans-84.6144.5-165.6-161.40000110.7
196S43.4Very low47Very low117 Ų117135.8 Ų135.882%0.81880%0.796SS**  trans-146.396156.3-87.50000110.9
197L54.4Low47.5Very low170 Ų170138.7 Ų138.789%0.8980%0.798SS**  trans24.693.9138.6-58.2170.3000117
198A52.2Low48Very low94 Ų94140.5 Ų140.578%0.77780%0.797SS**PPolyproline II helixtrans-100.4141.2155.600000109.3
199P59.1Low47.8Very low116 Ų116139.8 Ų139.875%0.75379%0.792SS**PPolyproline II helixtrans-70.8154.4-179.630.5-33.6000111.2
200P62.5Low48.4Very low117 Ų117139.1 Ų139.176%0.7679%0.792SS**PPolyproline II helixtrans-66.1146.5175.629.2-33.6000110.4
201P65.1Low49.4Very low113 Ų113135.7 Ų135.773%0.73479%0.788SS**PPolyproline II helixtrans-65.7149.9176.128-33.9000111S203P201-S203 PolarHBondContact O-N 3.47Å
202P51.6Low50.2Low127 Ų127134.1 Ų134.183%0.82579%0.786SS**PPolyproline II helixtrans-64.7134.4175.627.4-32.9000110.3I204P202-I204 PolarHBondContact O-N 3.02Å; P202-I204 VanDerWaalsContact O-N 3.16Å
203S54.9Low51.1Low120 Ų120134.9 Ų134.984%0.83980%0.795SS**  trans-58.3115.9174-57.30000110P201 L205P201-S203 PolarHBondContact O-N 3.47Å; S203-L205 PolarHBondContact O-N 2.95Å
204I48.3Very low51.4Low151 Ų151136.5 Ų136.577%0.77480%0.8SS**  trans-64.6123.9166.3-165.8164.6000107.4P202 Q206P202-I204 PolarHBondContact O-N 3.02Å; P202-I204 VanDerWaalsContact O-N 3.16Å; I204-Q206 PolarHBondContact O-N 3.47Å
205L47.4Very low51.8Low159 Ų159133.7 Ų133.783%0.83279%0.792SS**  trans-52.5106.8172.7-72.2166.1000108.4S203 V207S203-L205 PolarHBondContact O-N 2.95Å; L205-V207 VanDerWaalsContact C-N 3.28Å; L205-V207 PolarHBondContact O-N 2.83Å
206Q48.7Very low51.9Low170 Ų170137.4 Ų137.479%0.79480%0.798SS**  trans-69.591.6168.1-70.5179.2-32.700107.1I204 T208I204-Q206 PolarHBondContact O-N 3.47Å; Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.83Å
207V46.3Very low52.2Low132 Ų132138 Ų13880%0.880%0.796SS**  trans-71.790.3162.41800000106.3L205L205-V207 VanDerWaalsContact C-N 3.28Å; L205-V207 PolarHBondContact O-N 2.83Å
208T47.4Very low51.9Low102 Ų102134.8 Ų134.863%0.62679%0.794SS**  trans-72.3124.7161.439.50000107.9Q206 Q210Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.83Å; T208-Q210 PolarHBondContact O-N 2.94Å
209P45.2Very low51.8Low117 Ų117138.6 Ų138.676%0.7679%0.788SS**  trans-69.7101.6160.827.5-29.3000107.5L211P209-L211 PolarHBondContact O-N 2.95Å; P209-L211 VanDerWaalsContact O-N 3.15Å
210Q48Very low51.5Low180 Ų180140.1 Ų140.184%0.84180%0.795SS**  trans-63.9109161-88.1-17676.900107.6T208T208-Q210 PolarHBondContact O-N 2.94Å
211L60.3Low50.5Low155 Ų155141.4 Ų141.481%0.81279%0.791SS**  trans-63.7125.9159.6-66.9172.5000107.5P209 L213P209-L211 PolarHBondContact O-N 2.95Å; P209-L211 VanDerWaalsContact O-N 3.15Å; L211-L213 PolarHBondContact O-N 2.54Å; L211-L213 VanDerWaalsContact O-N 3.08Å
212P49.4Very low49.5Very low124 Ų124143.8 Ų143.881%0.80579%0.793SS**  trans-64.2116.9172.522.6-28.6000109.4M214P212-M214 PolarHBondContact O-N 2.66Å; P212-M214 VanDerWaalsContact O-N 3.08Å
213L55.8Low48.9Very low175 Ų175144.4 Ų144.492%0.91679%0.789SS**  trans-53.6102.6170.6-152.379.1000109.6L211L211-L213 PolarHBondContact O-N 2.54Å; L211-L213 VanDerWaalsContact O-N 3.08Å
214M47.2Very low48.5Very low180 Ų180144.5 Ų144.589%0.88778%0.78SS**  trans-140.1105.9159-156.985.380.400109.2P212P212-M214 PolarHBondContact O-N 2.66Å; P212-M214 VanDerWaalsContact O-N 3.08Å
215G55.9Low48.3Very low57 Ų57143.7 Ų143.759%0.58878%0.782SS**  trans91.954.5142.500000118.6
216F45.8Very low48.6Very low210 Ų210141.7 Ų141.792%0.92178%0.779SS**  trans-129.487.2148.2-66.9-76.5000109.5A218F216-A218 PolarHBondContact O-N 2.81Å; F216-A218 VanDerWaalsContact O-N 3.1Å
217V51.3Low49Very low128 Ų128139.1 Ų139.178%0.77678%0.777SS**  trans-68.4101.5166.2177.60000106.9R219V217-R219 HydrophobicContact CG1-CB 4.06Å; V217-R219 PolarHBondContact O-N 2.8Å; V217-R219 VanDerWaalsContact O-N 3.13Å
218A48.3Very low49.4Very low104 Ų104138.3 Ų138.386%0.8677%0.774SS**  trans-66.3102.715400000107.2F216F216-A218 PolarHBondContact O-N 2.81Å; F216-A218 VanDerWaalsContact O-N 3.1Å
219R49.6Very low50Low173 Ų173139.1 Ų139.165%0.65378%0.781SS**  trans-121.5104.6156.899.2-177-162.189.25.2108.5V217 Q221V217-R219 HydrophobicContact CG1-CB 4.06Å; V217-R219 PolarHBondContact O-N 2.8Å; V217-R219 VanDerWaalsContact O-N 3.13Å; R219-Q221 PolarHBondContact O-N 2.73Å
220V52.7Low50.9Low148 Ų148139 Ų13990%0.89778%0.78SS**  trans-67118.3154.4161.60000106.5
221Q41.2Very low51.1Low144 Ų144136.7 Ų136.767%0.67378%0.781SS**  trans-151.2105.4154.6-164.7154.710.800110.3R219R219-Q221 PolarHBondContact O-N 2.73Å
222E44.3Very low50.7Low164 Ų164135.4 Ų135.477%0.76678%0.78SS**  trans-48.6132161.2-175.5-149.4149.100111.8
223N38.8Very low50.5Low140 Ų140138.3 Ų138.375%0.74978%0.782SS**  trans-175.4101.4138.6-160.444.1000112.9
224N45.5Very low50.1Low121 Ų121138.4 Ų138.465%0.64778%0.778SS**  trans37.3103.7141.1-63.7-77.3000122.7
225T44.8Very low50.4Low135 Ų135135.3 Ų135.383%0.82877%0.771SS**  177.6132.3129.7-69.60000110.6
226P53.1Low50Low117 Ų117139.5 Ų139.576%0.7679%0.785SS**PPolyproline II helixtrans-90.1136.6174.533.6-29.7000112.5
227P57.3Low50.1Low116 Ų116137.7 Ų137.775%0.75378%0.777SS**PPolyproline II helixtrans-86.1158.5166.531.2-29000112.7
228P56.5Low50Low114 Ų114138.6 Ų138.674%0.7478%0.778SS**PPolyproline II helixtrans-79.9163-151.231.9-37.2000115.8
229P58.3Low50.3Low119 Ų119141.1 Ų141.177%0.77377%0.772SS**PPolyproline II helixtrans-72.7142.1177.530.9-34.1000111.5
230P63.8Low50.7Low114 Ų114137.2 Ų137.274%0.7477%0.771SS**PPolyproline II helixtrans-72.9148.5169.830-32.6000111.3
231P52.8Low50.9Low132 Ų132135.4 Ų135.486%0.85776%0.762SS**PPolyproline II helixtrans-73.9141.4-175.130.7-33.2000111.9
232V52.7Low51.6Low129 Ų129134 Ų13478%0.78277%0.766SS**PPolyproline II helixtrans-97.2125.2167.7-175.20000107
233E43.8Very low52.3Low185 Ų185131.5 Ų131.586%0.86476%0.764SS**  170.6152119.7-87.2-173.1160.400111.3
234E47.9Very low53.4Low177 Ų177130 Ų13083%0.82776%0.762SS**  trans-73-159-160.9-52.5179.3129.800115.2
235P54.3Low54.1Low115 Ų115129.5 Ų129.575%0.74777%0.765SS**  -119.3126.6-78.432-14.8000110.2
236V46.6Very low54.6Low144 Ų144128.1 Ų128.187%0.87376%0.758SS**  trans-119.2103.7172.3-176.30000109.5D238V236-D238 PolarHBondContact O-N 3.45Å; V236-D238 VanDerWaalsContact O-N 3.11Å
237F47.6Very low54.7Low173 Ų173128.1 Ų128.176%0.75976%0.758SS**  trans-31.5100.2155.6-151.9-96.6000111.8E239F237-E239 HydrophobicContact CD1-CB 4.27Å; F237-E239 HydrophobicContact CE1-CB 4.07Å; F237-E239 HydrophobicContact CE1-CG 4.41Å
238D49Very low54.4Low147 Ų147131.5 Ų131.579%0.78676%0.764SS**  trans-105.4111.6152.1-162.7-108.1000106.8V236 S240V236-D238 PolarHBondContact O-N 3.45Å; V236-D238 VanDerWaalsContact O-N 3.11Å; D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 PolarHBondContact O-N 3.3Å
239E55.3Low53.6Low157 Ų157132.7 Ų132.773%0.73476%0.764SS**  trans-68.580.3-174.3-178.9154.971.300110.7F237F237-E239 HydrophobicContact CD1-CB 4.27Å; F237-E239 HydrophobicContact CE1-CB 4.07Å; F237-E239 HydrophobicContact CE1-CG 4.41Å
240S57.6Low53.2Low91 Ų91138 Ų13864%0.63677%0.77SS**PPolyproline II helixtrans-83.4133.8154.4-70.80000108D238D238-S240 VanDerWaalsContact C-N 3.32Å; D238-S240 PolarHBondContact O-N 3.3Å
241P57.4Low52Low109 Ų109140.6 Ų140.671%0.70877%0.773SS**PPolyproline II helixtrans-53.1144.5171.424.8-32.6000108.1
242P55.7Low51.5Low115 Ų115143.1 Ų143.175%0.74777%0.773SS**PPolyproline II helixtrans-52138.9175.223.8-32.8000107.7
243P59.1Low51Low112 Ų112146.4 Ų146.473%0.72778%0.78SS**PPolyproline II helixtrans-49.7142.516524-32.1000107
244P63Low50.8Low109 Ų109145.1 Ų145.171%0.70877%0.774SS**PPolyproline II helixtrans-47.9141.817422.9-33.1000108
245P59.6Low50.6Low109 Ų109141 Ų14171%0.70877%0.77SS**PPolyproline II helixtrans-48.1137.7173.522.7-32.7000107.5
246P55.6Low50Low106 Ų106140 Ų14069%0.68877%0.771SS**PPolyproline II helixtrans-49.4135.5166.724.8-32.4000105.8E248P246-E248 PolarHBondContact O-N 3.16Å
247P55.1Low50Low117 Ų117138.2 Ų138.276%0.7676%0.761SS**PPolyproline II helixtrans-48.2121.2171.720.1-29.8000106.7D249P247-D249 PolarHBondContact O-N 2.91Å
248E51.3Low50.2Low188 Ų188135.5 Ų135.588%0.87976%0.758SS**SBendtrans-64.680164.3-80.3-173.2149.100106P246P246-E248 PolarHBondContact O-N 3.16Å
249D39.1Very low50.3Low139 Ų139136.1 Ų136.174%0.74376%0.756SS**  trans-146.978.7150.8-100.4-32.1000105.8P247 E251P247-D249 PolarHBondContact O-N 2.91Å; D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 VanDerWaalsContact O-N 3.09Å
250Y50.9Low49.8Very low230 Ų230137.4 Ų137.490%0.90276%0.755SS**  trans-61.692.4147.2-90-97.1000107.7
251E37.5Very low49.3Very low169 Ų169137.2 Ų137.279%0.7975%0.754SS**  trans-130.699.8141.8-69.9-165.3167.800106.2D249 E253D249-E251 PolarHBondContact O-N 3.44Å; D249-E251 VanDerWaalsContact O-N 3.09Å; E251-E253 PolarHBondContact O-N 2.67Å
252E41.8Very low49.1Very low184 Ų184135.5 Ų135.586%0.8674%0.739SS**  trans-1.8100.3146.6-173.8165.6-161.700112.2E254E252-E254 PolarHBondContact O-N 2.93Å
253E41.9Very low49.1Very low198 Ų198135.3 Ų135.393%0.92574%0.738SS**  trans-56.298.8171.1-83.9-173.1131.300107.2E251 A255E251-E253 PolarHBondContact O-N 2.67Å; E253-A255 PolarHBondContact O-N 3.5Å
254E40.8Very low48.8Very low158 Ų158137.9 Ų137.974%0.73873%0.734SS**  trans-42.4124168.1-91.5-152.312600108.2E252 A256E252-E254 PolarHBondContact O-N 2.93Å; E254-A256 PolarHBondContact O-N 2.74Å
255A42.7Very low48.4Very low91 Ų91134.9 Ų134.975%0.75272%0.718SS**SBendtrans-48.3102.4167.100000110.6E253 V257E253-A255 PolarHBondContact O-N 3.5Å; A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 3.42Å
256A43.3Very low48.1Very low94 Ų94138.1 Ų138.178%0.77772%0.724SS**  trans47.342.1146.900000117.1E254 V258E254-A256 PolarHBondContact O-N 2.74Å; A256-V258 PolarHBondContact O-N 2.74Å
257V46.5Very low48.5Very low107 Ų107142 Ų14265%0.64873%0.733SS**  trans-82.883.2152.4-174.50000105.7A255 E259A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 3.42Å; V257-E259 PolarHBondContact O-N 3.02Å
258V51Low49.4Very low115 Ų115138.5 Ų138.570%0.69771%0.708SS**  trans-59.796.8155.9175.60000104.1A256 Y260A256-V258 PolarHBondContact O-N 2.74Å; V258-Y260 HydrophobicContact CG1-CD2 4.22Å; V258-Y260 PolarHBondContact O-N 2.85Å
259E51.3Low50.9Low161 Ų161131.7 Ų131.775%0.75268%0.68SS**  trans-59.485.9163.2-173172.1-175.200105.1V257 S261V257-E259 PolarHBondContact O-N 3.02Å; E259-S261 PolarHBondContact O-N 3.42Å
260Y44.7Very low53Low183 Ų183131.7 Ų131.772%0.71869%0.688SS**  trans-69.182.4169.6-148.2-88.7000103.5V258 D262V258-Y260 HydrophobicContact CG1-CD2 4.22Å; V258-Y260 PolarHBondContact O-N 2.85Å; Y260-D262 PolarHBondContact O-N 2.84Å
261S46.4Very low54.5Low88 Ų88124.6 Ų124.662%0.61566%0.659SS**  trans-60.588.6166.7-53.70000105.4E259 P263E259-S261 PolarHBondContact O-N 3.42Å; S261-P263 VanDerWaalsContact O-CD 3.24Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; S261-P263 VanDerWaalsContact O-N 3.12Å
262D53.1Low56.8Low72 Ų72117.2 Ų117.239%0.38563%0.628SS.*  trans-55.5117.3170.3-178.5-4.9000105.4Y260 Y264 A265Y260-D262 PolarHBondContact O-N 2.84Å; D262-Y264 PolarHBondContact O-N 3.01Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.43Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.28Å; D262-Y264 PolarHBondContact OD1-N 3.25Å; D262-A265 HydrophobicContact CB-CB 4.37Å; D262-A265 VanDerWaalsContact O-CB 3.28Å; D262-A265 WeakPolarHBondContact O-CB 3.19Å; D262-A265 PolarHBondContact O-N 2.96Å
263P56.2Low59Low111 Ų111109.8 Ų109.872%0.72160%0.595SS**THydrogen-bonded Turntrans-62.1-0.2178.525.3-33.6000113.1S261S261-P263 VanDerWaalsContact O-CD 3.24Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; S261-P263 VanDerWaalsContact O-N 3.12Å
264Y53.7Low61Low167 Ų167112.5 Ų112.566%0.65560%0.597SS**THydrogen-bonded Turntrans-96.5-4.7167.9-70.2-85.6000115.5D262 E266D262-Y264 PolarHBondContact O-N 3.01Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.43Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.28Å; D262-Y264 PolarHBondContact OD1-N 3.25Å; Y264-E266 VanDerWaalsContact C-N 3.26Å; Y264-E266 PolarHBondContact O-N 3.16Å
265A53Low63.2Low45 Ų45108.9 Ų108.937%0.37259%0.594SS.*G310 helixtrans-74.3-12.6179.900000114D262 E267 D268D262-A265 HydrophobicContact CB-CB 4.37Å; D262-A265 VanDerWaalsContact O-CB 3.28Å; D262-A265 WeakPolarHBondContact O-CB 3.19Å; D262-A265 PolarHBondContact O-N 2.96Å; A265-E267 PolarHBondContact O-N 3.43Å; A265-D268 PolarHBondContact O-N 2.87Å
266E53.6Low65.4Low178 Ų178108.7 Ų108.783%0.83257%0.574SS**G310 helixtrans-68.8-2.5-173.6-78-68.8118.900115.6Y264Y264-E266 VanDerWaalsContact C-N 3.26Å; Y264-E266 PolarHBondContact O-N 3.16Å
267E64.8Low67.7Low186 Ų186109.7 Ų109.787%0.86957%0.566SS**G310 helixtrans-143.947.9167.3-64.6-166.1159.800112.6A265A265-E267 PolarHBondContact O-N 3.43Å
268D74.3Confident69.8Low44 Ų44106.2 Ų106.224%0.23554%0.542CS..  trans-57.3135158.6-85.9-31.2000108.3A265 A272 Y276 K279 Y303A265-D268 PolarHBondContact O-N 2.87Å; D268-A272 HydrophobicContact CB-CB 4.03Å; D268-Y276 PolarHBondContact OD2-OH 2.94Å; D268-K279 IonicContact OD1-NZ 2.97Å; D268-K279 PolarHBondContact OD1-NZ 3.45Å; D268-Y303 VanDerWaalsContact CG-OH 3.29Å; D268-Y303 PolarHBondContact OD1-OH 3.45Å
269P82.2Confident71.8Confident45 Ų45102.4 Ų102.429%0.29252%0.516SS..  trans-55.6152.9-176-26.234000111.8W271 A272P269-W271 HydrophobicContact CB-CD2 3.97Å; P269-W271 VanDerWaalsContact CB-CE2 3.48Å; P269-W271 HydrophobicContact CB-CG 3.91Å; P269-W271 HydrophobicContact CB-CZ2 4.12Å; P269-W271 HydrophobicContact CG-CZ2 3.78Å; P269-W271 PolarHBondContact O-N 2.91Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.3Å
270P82.4Confident73.9Confident139 Ų13994.8 Ų94.890%0.90348%0.481SS*.THydrogen-bonded Turntrans-61.8-17.1-179.925.8-35.9000113.7
271W83.1Confident76.3Confident81 Ų8187.9 Ų87.931%0.30746%0.458SS..THydrogen-bonded Turntrans-82.5-16.5174.262.7-107.4000113.3P269 Y303 V316 N318 G319P269-W271 HydrophobicContact CB-CD2 3.97Å; P269-W271 VanDerWaalsContact CB-CE2 3.48Å; P269-W271 HydrophobicContact CB-CG 3.91Å; P269-W271 HydrophobicContact CB-CZ2 4.12Å; P269-W271 HydrophobicContact CG-CZ2 3.78Å; P269-W271 PolarHBondContact O-N 2.91Å; W271-Y303 HydrophobicContact CH2-CD2 4.02Å; W271-Y303 AromaticContact CH2-CE2 3.58Å; W271-Y303 HydrophobicContact CH2-CE2 3.58Å; W271-Y303 AromaticContact CZ3-CD2 3.72Å; W271-Y303 HydrophobicContact CZ3-CD2 3.72Å; W271-Y303 AromaticContact CZ3-CE2 3.67Å; W271-Y303 HydrophobicContact CZ3-CE2 3.67Å; W271-V316 HydrophobicContact CE3-CG1 4.13Å; W271-V316 HydrophobicContact CZ3-CG1 4.32Å; W271-N318 VanDerWaalsContact CH2-N 3.3Å; W271-G319 VanDerWaalsContact CE3-N 3.31Å
272A86.5Confident78.6Confident15 Ų1583.8 Ų83.812%0.12443%0.43CS..SBendtrans-65.1135.9179.400000109.1D268 P269 Y303D268-A272 HydrophobicContact CB-CB 4.03Å; P269-A272 WeakPolarHBondContact O-CB 3.23Å; P269-A272 PolarHBondContact O-N 3.3Å; A272-Y303 HydrophobicContact CB-CD2 4.3Å; A272-Y303 HydrophobicContact CB-CE1 4.1Å; A272-Y303 HydrophobicContact CB-CE2 3.88Å
273P87.8Confident80.6Confident27 Ų2782.4 Ų82.418%0.17542%0.421CS..  trans-63.8140176.627.9-33.7000109.5A275 Y276 Y303 I305 V316P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.34Å; P273-Y276 WeakPolarHBondContact O-CD1 3.39Å; P273-Y303 HydrophobicContact CG-CG 4.19Å; P273-I305 HydrophobicContact CB-CD1 4.24Å; P273-I305 HydrophobicContact CG-CD1 4.39Å; P273-I305 HydrophobicContact CG-CG1 4.35Å; P273-V316 HydrophobicContact CB-CG2 4.46Å; P273-V316 HydrophobicContact CG-CB 4.09Å; P273-V316 HydrophobicContact CG-CG2 4.06Å
274R84.3Confident82.5Confident256 Ų25679.4 Ų79.497%0.96640%0.396SS*.SBendtrans-69.9-26.5176.9-63.3-176.7-176.3168.4-0.3112.9
275A86.9Confident84.4Confident81 Ų8176 Ų7667%0.66939%0.389SS*.SBendtrans-119.7118.6177.200000108.5P273P273-A275 VanDerWaalsContact C-N 3.26Å; P273-A275 PolarHBondContact O-N 3.34Å
276Y89.3Confident86.4Confident87 Ų8774.6 Ų74.634%0.34138%0.375SS..  trans-144.5149.5174.459.2-90.8000108.8D268 P273 K279 Y303 V304D268-Y276 PolarHBondContact OD2-OH 2.94Å; P273-Y276 WeakPolarHBondContact O-CD1 3.39Å; Y276-K279 HydrophobicContact CE2-CB 4.17Å; Y276-Y303 AromaticContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CE1 4.45Å; Y276-Y303 HydrophobicContact CD2-CD1 4.1Å; Y276-Y303 AromaticContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CE1 4.02Å; Y276-Y303 HydrophobicContact CE2-CD1 4.11Å; Y276-Y303 AromaticContact CG-CD1 3.89Å; Y276-Y303 HydrophobicContact CG-CD1 3.89Å; Y276-Y303 AromaticContact CZ-CD1 3.9Å; Y276-V304 CarbonylContact C-O 3.55Å; Y276-V304 WeakPolarHBondContact CA-O 3.35Å; Y276-V304 WeakPolarHBondContact CB-O 3.44Å
277L90.9Very high88.4Confident115 Ų11571.7 Ų71.760%0.60237%0.369SS*.SBendtrans-74.4-41.6177.3-65.1173.9000111.4V304 I305 K307L277-V304 PolarHBondContact N-O 3.18Å; L277-I305 VanDerWaalsContact CD1-O 3.31Å; L277-I305 WeakPolarHBondContact CD1-O 2.97Å; L277-I305 WeakPolarHBondContact CG-O 3.22Å; L277-K307 HydrophobicContact CD1-CG 4.46Å
278E91.4Very high89.8Confident34 Ų3467.6 Ų67.616%0.15935%0.348CS..EExtended strand (participates in β ladder)trans-160148.1-174.2-174.9168.3-149.800111.6V280 V304 K307 S331E278-V280 HydrophobicContact CG-CG1 4.04Å; E278-V304 HydrophobicContact CB-CB 4.48Å; E278-V304 WeakPolarHBondContact O-CB 3.38Å; E278-V304 PolarHBondContact O-N 3.2Å; E278-K307 IonicContact OE2-NZ 2.66Å; E278-K307 PolarHBondContact OE2-NZ 2.92Å; E278-S331 VanDerWaalsContact CD-OG 3.27Å; E278-S331 WeakPolarHBondContact OE1-CB 3.49Å; E278-S331 PolarHBondContact OE1-OG 3.15Å
279K92.3Very high90.6Very high35 Ų3572.1 Ų72.115%0.15237%0.373CS..EExtended strand (participates in β ladder)trans-95.8131.2169.4-168.5165169.3179.40108.8D268 Y276 I301 Y303 I332D268-K279 IonicContact OD1-NZ 2.97Å; D268-K279 PolarHBondContact OD1-NZ 3.45Å; Y276-K279 HydrophobicContact CE2-CB 4.17Å; K279-I301 HydrophobicContact CD-CG2 4.16Å; K279-I301 VanDerWaalsContact CE-CG2 3.46Å; K279-I301 HydrophobicContact CG-CG2 3.8Å; K279-Y303 HydrophobicContact CD-CD1 4.32Å; K279-Y303 HydrophobicContact CD-CE1 3.73Å; K279-Y303 HydrophobicContact CG-CD1 4.41Å; K279-Y303 HydrophobicContact CG-CE1 4.26Å; K279-Y303 PolarHBondContact NZ-OH 2.8Å; K279-I332 HydrophobicContact CB-CD1 3.7Å; K279-I332 HydrophobicContact CB-CG1 3.64Å; K279-I332 HydrophobicContact CD-CD1 3.45Å; K279-I332 VanDerWaalsContact CD-CD1 3.45Å; K279-I332 HydrophobicContact CD-CG1 4.31Å; K279-I332 HydrophobicContact CG-CD1 3.41Å; K279-I332 VanDerWaalsContact CG-CD1 3.41Å; K279-I332 HydrophobicContact CG-CG1 3.75Å; K279-I332 WeakPolarHBondContact O-CG1 2.99Å; K279-I332 PolarHBondContact O-N 3.42Å; K279-I332 VanDerWaalsContact O-N 3.11Å
280V94.7Very high91.2Very high2 Ų273.8 Ų73.81%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-129.4153-177-57.40000110.9E278 I301 I302 V304 F324 V329 E330E278-V280 HydrophobicContact CG-CG1 4.04Å; V280-I301 WeakPolarHBondContact O-CA 3.36Å; V280-I302 HydrophobicContact CG2-CB 3.85Å; V280-I302 WeakPolarHBondContact CG2-O 3.18Å; V280-I302 PolarHBondContact N-O 2.96Å; V280-I302 PolarHBondContact O-N 2.93Å; V280-V304 HydrophobicContact CB-CG2 4.43Å; V280-V304 HydrophobicContact CG1-CG2 3.7Å; V280-V304 HydrophobicContact CG2-CG2 3.82Å; V280-F324 HydrophobicContact CG2-CE2 4.43Å; V280-F324 HydrophobicContact CG2-CZ 4.31Å; V280-V329 HydrophobicContact CB-CB 3.95Å; V280-V329 HydrophobicContact CB-CG2 4.07Å; V280-V329 HydrophobicContact CG1-CG2 4.33Å; V280-V329 HydrophobicContact CG2-CB 3.83Å; V280-V329 HydrophobicContact CG2-CG1 4.03Å; V280-V329 HydrophobicContact CG2-CG2 3.93Å; V280-E330 CarbonylContact C-O 3.54Å; V280-E330 WeakPolarHBondContact CA-O 3.45Å; V280-E330 WeakPolarHBondContact CB-O 3.12Å
281V95.4Very high91.7Very high37 Ų3775.8 Ų75.822%0.22437%0.373CS..EExtended strand (participates in β ladder)trans-110.9134.1172.462.40000109.4I283 A300 I301 V329 E330 I332V281-I283 PolarHBondContact O-N 3.36Å; V281-A300 CarbonylContact C-O 3.46Å; V281-A300 WeakPolarHBondContact CA-O 3.4Å; V281-I301 HydrophobicContact CB-CD1 4.04Å; V281-I301 HydrophobicContact CG2-CD1 4.1Å; V281-V329 CarbonylContact O-C 3.5Å; V281-V329 VanDerWaalsContact O-CA 3.23Å; V281-V329 WeakPolarHBondContact O-CA 3.42Å; V281-E330 HydrophobicContact CG1-CB 4.32Å; V281-E330 PolarHBondContact N-O 3.19Å; V281-E330 PolarHBondContact O-N 2.81Å; V281-I332 HydrophobicContact CB-CG2 3.72Å; V281-I332 HydrophobicContact CG1-CG2 3.82Å
282A95.5Very high92.3Very high3 Ų375.6 Ų75.63%0.02538%0.378CS..EExtended strand (participates in β ladder)trans-68.3129.1173.600000110.8F296 Q297 G299 A300 Y328A282-F296 HydrophobicContact CB-CD2 3.38Å; A282-F296 HydrophobicContact CB-CE2 3.51Å; A282-F296 HydrophobicContact CB-CG 4.46Å; A282-Q297 VanDerWaalsContact CB-O 3.29Å; A282-Q297 WeakPolarHBondContact CB-O 3.3Å; A282-G299 PolarHBondContact O-N 3.48Å; A282-A300 HydrophobicContact CB-CB 4.17Å; A282-A300 PolarHBondContact N-O 2.87Å; A282-Y328 WeakPolarHBondContact CA-O 3.28Å
283I95Very high92.8Very high42 Ų4275.3 Ų75.322%0.21537%0.374CS..SBendtrans-101-8.4174.255.5161.1000112.7V281 Y328 E330V281-I283 PolarHBondContact O-N 3.36Å; I283-Y328 VanDerWaalsContact CG1-O 3.25Å; I283-Y328 WeakPolarHBondContact CG1-O 3.4Å; I283-Y328 PolarHBondContact N-O 2.9Å; I283-E330 HydrophobicContact CD1-CG 4.07Å; I283-E330 HydrophobicContact CG1-CG 4.44Å; I283-E330 HydrophobicContact CG2-CB 4.01Å; I283-E330 HydrophobicContact CG2-CG 3.63Å
284Y94.6Very high93.2Very high48 Ų4874.2 Ų74.219%0.18837%0.367CS..SBendtrans-142.3155.9173.9-60.8-66.1000110.3P27 P28 F296 Y328P27-Y284 HydrophobicContact CB-CD1 4.07Å; P27-Y284 HydrophobicContact CB-CD2 4.41Å; P27-Y284 HydrophobicContact CB-CG 3.92Å; P28-Y284 HydrophobicContact CG-CD2 4.46Å; P28-Y284 HydrophobicContact CG-CE2 4.08Å; Y284-F296 WeakPolarHBondContact O-CE2 3.09Å; Y284-Y328 PolarHBondContact N-O 3.08Å
285D95Very high93.7Very high96 Ų9664.3 Ų64.351%0.51334%0.337SS..  trans-67.3140.3167.5-65.4-21000110.8Q297 E298 Y328D285-Q297 WeakPolarHBondContact OD1-CA 3.25Å; D285-E298 PolarHBondContact OD1-N 2.9Å; D285-Y328 WeakPolarHBondContact O-CE1 3.29Å
286Y95.2Very high94.2Very high16 Ų1661 Ų616%0.06331%0.307CS..BIsolated β-bridgetrans-131128.7172-173.6-104.4000110.9P30 E293 L294 S295 F296 W312 P325 Y328P30-Y286 HydrophobicContact CB-CE2 4.31Å; P30-Y286 HydrophobicContact CG-CE2 4.24Å; Y286-E293 HydrophobicContact CE1-CB 4.49Å; Y286-E293 PolarHBondContact OH-OE2 3.11Å; Y286-L294 VanDerWaalsContact CD1-O 3.31Å; Y286-L294 WeakPolarHBondContact CD1-O 3.5Å; Y286-S295 CarbonylContact O-C 3.54Å; Y286-S295 VanDerWaalsContact O-CA 3.25Å; Y286-S295 WeakPolarHBondContact O-CA 3.21Å; Y286-F296 VanDerWaalsContact CB-CZ 3.5Å; Y286-F296 HydrophobicContact CD1-CE1 4.15Å; Y286-F296 HydrophobicContact CG-CE1 4.3Å; Y286-F296 HydrophobicContact CG-CZ 4.25Å; Y286-F296 PolarHBondContact N-O 3.06Å; Y286-F296 PolarHBondContact O-N 2.91Å; Y286-F296 VanDerWaalsContact O-O 3.09Å; Y286-W312 VanDerWaalsContact OH-CH2 3.24Å; Y286-W312 WeakPolarHBondContact OH-CH2 3.28Å; Y286-P325 HydrophobicContact CD2-CG 3.64Å; Y286-P325 HydrophobicContact CE2-CG 3.67Å; Y286-P325 HydrophobicContact CG-CG 4.13Å; Y286-Y328 HydrophobicContact CD2-CD1 4.1Å; Y286-Y328 AromaticContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CG-CD1 4.48Å
287T95.3Very high94.5Very high117 Ų11763.9 Ų63.972%0.71832%0.323SS*.  trans-109.6122.4172.5-580000108.3
288K93.4Very high94.6Very high99 Ų9965 Ų6543%0.4333%0.326SS..  trans-56.6135.4177.575.5-178.6-170.4167.80112.2K290 E293 S295K288-K290 WeakPolarHBondContact CD-O 3.44Å; K288-E293 HydrophobicContact CB-CB 3.6Å; K288-E293 WeakPolarHBondContact CD-O 3.02Å; K288-S295 WeakPolarHBondContact CB-OG 3.43Å; K288-S295 VanDerWaalsContact CG-OG 3.26Å; K288-S295 WeakPolarHBondContact CG-OG 3.39Å; K288-S295 PolarHBondContact N-OG 3.37Å
289D92Very high94.6Very high140 Ų14065.6 Ų65.675%0.74934%0.341SS*.SBendtrans-91.4-35.6171.6-172.2-105.6000110.7E293D289-E293 PolarHBondContact N-OE2 2.77Å
290K93.3Very high94.7Very high80 Ų8064.8 Ų64.835%0.34834%0.341SS..SBendtrans-112.6167.4179.7-51.6-170.4-144.681.80112.6S33 K288 D292 E293S33-K290 PolarHBondContact OG-NZ 3.21Å; K288-K290 WeakPolarHBondContact CD-O 3.44Å; K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 WeakPolarHBondContact CB-OD1 3.31Å; K290-E293 HydrophobicContact CB-CG 4.21Å; K290-E293 WeakPolarHBondContact CG-OE1 3.42Å; K290-E293 IonicContact NZ-OE1 2.74Å; K290-E293 PolarHBondContact NZ-OE1 3.07Å; K290-E293 PolarHBondContact O-N 3.19Å
291E93.7Very high94.7Very high180 Ų18067.6 Ų67.684%0.84136%0.355SS*.THydrogen-bonded Turntrans-71.2-30.1-177.663.3-176.6174.400113.4E293E291-E293 VanDerWaalsContact C-N 3.26Å; E291-E293 PolarHBondContact O-N 3.49Å
292D95.6Very high94.7Very high78 Ų7865.8 Ų65.842%0.41734%0.344SS..THydrogen-bonded Turntrans-77.8-6.6177.956.5-56.4000113.7K290 G322 L323K290-D292 VanDerWaalsContact C-N 3.33Å; K290-D292 WeakPolarHBondContact CB-OD1 3.31Å; D292-G322 CarbonylContact O-C 3.54Å; D292-G322 VanDerWaalsContact O-CA 3.28Å; D292-G322 WeakPolarHBondContact O-CA 3.31Å; D292-L323 PolarHBondContact O-N 2.97Å; D292-L323 WeakPolarHBondContact OD2-CD1 3.25Å
293E96.4Very high94.7Very high8 Ų865.9 Ų65.94%0.03734%0.344CS..BIsolated β-bridgetrans-93.7153.9-178.6-71.8175.1-15800112.6Y286 K288 D289 K290 E291 W312 L323Y286-E293 HydrophobicContact CE1-CB 4.49Å; Y286-E293 PolarHBondContact OH-OE2 3.11Å; K288-E293 HydrophobicContact CB-CB 3.6Å; K288-E293 WeakPolarHBondContact CD-O 3.02Å; D289-E293 PolarHBondContact N-OE2 2.77Å; K290-E293 HydrophobicContact CB-CG 4.21Å; K290-E293 WeakPolarHBondContact CG-OE1 3.42Å; K290-E293 IonicContact NZ-OE1 2.74Å; K290-E293 PolarHBondContact NZ-OE1 3.07Å; K290-E293 PolarHBondContact O-N 3.19Å; E291-E293 VanDerWaalsContact C-N 3.26Å; E291-E293 PolarHBondContact O-N 3.49Å; E293-W312 HydrophobicContact CG-CH2 4.16Å; E293-W312 HydrophobicContact CG-CZ3 3.76Å; E293-L323 CarbonylContact C-O 3.49Å; E293-L323 WeakPolarHBondContact CA-O 3.26Å; E293-L323 WeakPolarHBondContact CB-O 3.34Å; E293-L323 HydrophobicContact CG-CB 4.32Å
294L96.2Very high94.8Very high5 Ų563.9 Ų63.93%0.02633%0.334CS..  trans-105.9113.2-176.5-175.468.5000110.9Y286 F296 I302 M317 V320 L323 F324Y286-L294 VanDerWaalsContact CD1-O 3.31Å; Y286-L294 WeakPolarHBondContact CD1-O 3.5Å; L294-F296 HydrophobicContact CG-CD1 4.42Å; L294-F296 VanDerWaalsContact O-CD1 3.3Å; L294-F296 WeakPolarHBondContact O-CD1 3Å; L294-F296 WeakPolarHBondContact O-CE1 3.49Å; L294-I302 HydrophobicContact CD2-CD1 4.45Å; L294-I302 HydrophobicContact CD2-CG2 4.01Å; L294-M317 HydrophobicContact CD1-CB 4.47Å; L294-M317 HydrophobicContact CD1-CE 4.32Å; L294-M317 HydrophobicContact CD2-CB 3.96Å; L294-M317 HydrophobicContact CG-CE 4.49Å; L294-V320 HydrophobicContact CD1-CB 4.08Å; L294-V320 HydrophobicContact CD1-CG1 3.82Å; L294-L323 PolarHBondContact N-O 2.95Å; L294-F324 HydrophobicContact CD2-CD1 4.14Å
295S96.2Very high94.9Very high48 Ų4864.7 Ų64.734%0.33634%0.34SS..  trans-80.3140171.5-59.10000111.7Y286 K288 M317Y286-S295 CarbonylContact O-C 3.54Å; Y286-S295 VanDerWaalsContact O-CA 3.25Å; Y286-S295 WeakPolarHBondContact O-CA 3.21Å; K288-S295 WeakPolarHBondContact CB-OG 3.43Å; K288-S295 VanDerWaalsContact CG-OG 3.26Å; K288-S295 WeakPolarHBondContact CG-OG 3.39Å; K288-S295 PolarHBondContact N-OG 3.37Å; S295-M317 WeakPolarHBondContact O-CE 3.39Å
296F96.4Very high94.9Very high11 Ų1165.3 Ų65.35%0.04834%0.339CS..BIsolated β-bridgetrans-154.6168.5176.153.3-95.7000112A282 Y284 Y286 L294 A300 I302 M317 F324 V329A282-F296 HydrophobicContact CB-CD2 3.38Å; A282-F296 HydrophobicContact CB-CE2 3.51Å; A282-F296 HydrophobicContact CB-CG 4.46Å; Y284-F296 WeakPolarHBondContact O-CE2 3.09Å; Y286-F296 VanDerWaalsContact CB-CZ 3.5Å; Y286-F296 HydrophobicContact CD1-CE1 4.15Å; Y286-F296 HydrophobicContact CG-CE1 4.3Å; Y286-F296 HydrophobicContact CG-CZ 4.25Å; Y286-F296 PolarHBondContact N-O 3.06Å; Y286-F296 PolarHBondContact O-N 2.91Å; Y286-F296 VanDerWaalsContact O-O 3.09Å; L294-F296 HydrophobicContact CG-CD1 4.42Å; L294-F296 VanDerWaalsContact O-CD1 3.3Å; L294-F296 WeakPolarHBondContact O-CD1 3Å; L294-F296 WeakPolarHBondContact O-CE1 3.49Å; F296-A300 HydrophobicContact CB-CB 3.92Å; F296-I302 HydrophobicContact CB-CD1 4.42Å; F296-I302 HydrophobicContact CD1-CD1 3.53Å; F296-I302 HydrophobicContact CD2-CD1 4.19Å; F296-I302 HydrophobicContact CE1-CD1 3.71Å; F296-I302 HydrophobicContact CE2-CD1 4.33Å; F296-I302 HydrophobicContact CG-CD1 3.79Å; F296-I302 HydrophobicContact CZ-CD1 4.1Å; F296-M317 HydrophobicContact CB-CE 3.74Å; F296-M317 HydrophobicContact CB-SD 3.58Å; F296-M317 VanDerWaalsContact CB-SD 3.58Å; F296-F324 HydrophobicContact CE1-CB 3.54Å; F296-F324 HydrophobicContact CE1-CD2 4.1Å; F296-F324 AromaticContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CZ-CB 4.2Å; F296-F324 HydrophobicContact CZ-CD2 4.23Å; F296-F324 HydrophobicContact CZ-CG 4.48Å; F296-V329 HydrophobicContact CE2-CG1 4.43Å; F296-V329 HydrophobicContact CZ-CG1 4.24Å
297Q96.4Very high94.9Very high147 Ų14768.5 Ų68.569%0.68735%0.353SS*.  trans-106159.1176-66.7-177.2-33.700110.9A282 D285 G299 A300A282-Q297 VanDerWaalsContact CB-O 3.29Å; A282-Q297 WeakPolarHBondContact CB-O 3.3Å; D285-Q297 WeakPolarHBondContact OD1-CA 3.25Å; Q297-G299 PolarHBondContact O-N 2.81Å; Q297-A300 WeakPolarHBondContact O-CB 3.1Å; Q297-A300 PolarHBondContact O-N 2.63Å
298E93.1Very high94.9Very high139 Ų13964.9 Ų64.965%0.6533%0.329SS*.THydrogen-bonded Turntrans-50.4133.7168.4-175.1-173.4158.800110.3D285 A300D285-E298 PolarHBondContact OD1-N 2.9Å; E298-A300 VanDerWaalsContact C-N 3.33Å
299G91.1Very high94.8Very high46 Ų4668.6 Ų68.647%0.47435%0.354SS..THydrogen-bonded Turntrans83.9-2.1-175.600000115A282 Q297A282-G299 PolarHBondContact O-N 3.48Å; Q297-G299 PolarHBondContact O-N 2.81Å
300A94.8Very high94.8Very high19 Ų1965.3 Ų65.316%0.15734%0.336CS..  trans-65.7139.8175.100000111.8V281 A282 F296 Q297 E298 M317V281-A300 CarbonylContact C-O 3.46Å; V281-A300 WeakPolarHBondContact CA-O 3.4Å; A282-A300 HydrophobicContact CB-CB 4.17Å; A282-A300 PolarHBondContact N-O 2.87Å; F296-A300 HydrophobicContact CB-CB 3.92Å; Q297-A300 WeakPolarHBondContact O-CB 3.1Å; Q297-A300 PolarHBondContact O-N 2.63Å; E298-A300 VanDerWaalsContact C-N 3.33Å; A300-M317 HydrophobicContact CB-SD 3.69Å
301I94.6Very high94.9Very high60 Ų6062.8 Ų62.831%0.30833%0.333SS..EExtended strand (participates in β ladder)trans-94.6127.1175.1-58-59.3000109.2K279 V280 V281 Y303 I332K279-I301 HydrophobicContact CD-CG2 4.16Å; K279-I301 VanDerWaalsContact CE-CG2 3.46Å; K279-I301 HydrophobicContact CG-CG2 3.8Å; V280-I301 WeakPolarHBondContact O-CA 3.36Å; V281-I301 HydrophobicContact CB-CD1 4.04Å; V281-I301 HydrophobicContact CG2-CD1 4.1Å; I301-Y303 HydrophobicContact CG2-CE2 4.22Å; I301-I332 HydrophobicContact CD1-CG2 4.48Å
302I95.9Very high95Very high0 Ų054.5 Ų54.50%029%0.294CS..EExtended strand (participates in β ladder)trans-127135.5-178.5-47.6173.6000108.3V280 L294 F296 M317 F324 V329V280-I302 HydrophobicContact CG2-CB 3.85Å; V280-I302 WeakPolarHBondContact CG2-O 3.18Å; V280-I302 PolarHBondContact N-O 2.96Å; V280-I302 PolarHBondContact O-N 2.93Å; L294-I302 HydrophobicContact CD2-CD1 4.45Å; L294-I302 HydrophobicContact CD2-CG2 4.01Å; F296-I302 HydrophobicContact CB-CD1 4.42Å; F296-I302 HydrophobicContact CD1-CD1 3.53Å; F296-I302 HydrophobicContact CD2-CD1 4.19Å; F296-I302 HydrophobicContact CE1-CD1 3.71Å; F296-I302 HydrophobicContact CE2-CD1 4.33Å; F296-I302 HydrophobicContact CG-CD1 3.79Å; F296-I302 HydrophobicContact CZ-CD1 4.1Å; I302-M317 HydrophobicContact CG1-CB 4.25Å; I302-M317 HydrophobicContact CG1-CG 4.48Å; I302-M317 HydrophobicContact CG1-SD 4.45Å; I302-M317 HydrophobicContact CG2-CB 4.49Å; I302-F324 HydrophobicContact CB-CZ 4.32Å; I302-F324 HydrophobicContact CD1-CD2 4.47Å; I302-F324 HydrophobicContact CD1-CE2 4.29Å; I302-F324 HydrophobicContact CD1-CZ 4.29Å; I302-F324 HydrophobicContact CG2-CD1 4.41Å; I302-F324 HydrophobicContact CG2-CE1 3.57Å; I302-F324 HydrophobicContact CG2-CZ 3.7Å; I302-V329 HydrophobicContact CD1-CG1 4.23Å
303Y95.5Very high95.1Very high5 Ų553.3 Ų53.32%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-96.7110.5174.8-61.7-99.8000108.2D268 W271 A272 P273 Y276 K279 I301 I305 G315 V316D268-Y303 VanDerWaalsContact CG-OH 3.29Å; D268-Y303 PolarHBondContact OD1-OH 3.45Å; W271-Y303 HydrophobicContact CH2-CD2 4.02Å; W271-Y303 AromaticContact CH2-CE2 3.58Å; W271-Y303 HydrophobicContact CH2-CE2 3.58Å; W271-Y303 AromaticContact CZ3-CD2 3.72Å; W271-Y303 HydrophobicContact CZ3-CD2 3.72Å; W271-Y303 AromaticContact CZ3-CE2 3.67Å; W271-Y303 HydrophobicContact CZ3-CE2 3.67Å; A272-Y303 HydrophobicContact CB-CD2 4.3Å; A272-Y303 HydrophobicContact CB-CE1 4.1Å; A272-Y303 HydrophobicContact CB-CE2 3.88Å; P273-Y303 HydrophobicContact CG-CG 4.19Å; Y276-Y303 AromaticContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CD1 3.69Å; Y276-Y303 HydrophobicContact CD1-CE1 4.45Å; Y276-Y303 HydrophobicContact CD2-CD1 4.1Å; Y276-Y303 AromaticContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CD1 3.69Å; Y276-Y303 HydrophobicContact CE1-CE1 4.02Å; Y276-Y303 HydrophobicContact CE2-CD1 4.11Å; Y276-Y303 AromaticContact CG-CD1 3.89Å; Y276-Y303 HydrophobicContact CG-CD1 3.89Å; Y276-Y303 AromaticContact CZ-CD1 3.9Å; K279-Y303 HydrophobicContact CD-CD1 4.32Å; K279-Y303 HydrophobicContact CD-CE1 3.73Å; K279-Y303 HydrophobicContact CG-CD1 4.41Å; K279-Y303 HydrophobicContact CG-CE1 4.26Å; K279-Y303 PolarHBondContact NZ-OH 2.8Å; I301-Y303 HydrophobicContact CG2-CE2 4.22Å; Y303-I305 PolarHBondContact O-N 3.33Å; Y303-G315 CarbonylContact O-C 3.5Å; Y303-G315 WeakPolarHBondContact O-CA 3.36Å; Y303-V316 PolarHBondContact N-O 2.79Å; Y303-V316 PolarHBondContact O-N 3.16Å
304V96.5Very high95.1Very high0 Ų056.1 Ų56.10%030%0.297CS..EExtended strand (participates in β ladder)trans-75.2119.9-178.6-178.40000109Y276 L277 E278 V280 K307 Y313 F324Y276-V304 CarbonylContact C-O 3.55Å; Y276-V304 WeakPolarHBondContact CA-O 3.35Å; Y276-V304 WeakPolarHBondContact CB-O 3.44Å; L277-V304 PolarHBondContact N-O 3.18Å; E278-V304 HydrophobicContact CB-CB 4.48Å; E278-V304 WeakPolarHBondContact O-CB 3.38Å; E278-V304 PolarHBondContact O-N 3.2Å; V280-V304 HydrophobicContact CB-CG2 4.43Å; V280-V304 HydrophobicContact CG1-CG2 3.7Å; V280-V304 HydrophobicContact CG2-CG2 3.82Å; V304-K307 HydrophobicContact CG1-CG 3.81Å; V304-Y313 HydrophobicContact CG1-CG 4.45Å; V304-Y313 HydrophobicContact CG2-CD2 4.41Å; V304-F324 HydrophobicContact CG2-CZ 4.06Å
305I95.6Very high95.2Very high64 Ų6455.9 Ų55.933%0.32830%0.296SS..EExtended strand (participates in β ladder)trans-92.1-36.2175-64-179.5000110.6P273 L277 Y303 E314 V316P273-I305 HydrophobicContact CB-CD1 4.24Å; P273-I305 HydrophobicContact CG-CD1 4.39Å; P273-I305 HydrophobicContact CG-CG1 4.35Å; L277-I305 VanDerWaalsContact CD1-O 3.31Å; L277-I305 WeakPolarHBondContact CD1-O 2.97Å; L277-I305 WeakPolarHBondContact CG-O 3.22Å; Y303-I305 PolarHBondContact O-N 3.33Å; I305-E314 PolarHBondContact N-O 3.21Å; I305-V316 HydrophobicContact CD1-CG2 3.33Å; I305-V316 HydrophobicContact CG1-CG2 4.15Å
306K95.5Very high95.2Very high110 Ų11054 Ų5448%0.47828%0.282SS..EExtended strand (participates in β ladder)trans-146.3142.5-176.9-170.1180174.6-176.20110.9N308 Y313 E314K306-N308 VanDerWaalsContact CE-OD1 3.3Å; K306-N308 WeakPolarHBondContact CE-OD1 3.46Å; K306-Y313 CarbonylContact O-C 3.49Å; K306-Y313 WeakPolarHBondContact O-CA 3.25Å; K306-E314 HydrophobicContact CB-CB 3.96Å; K306-E314 PolarHBondContact N-O 2.84Å; K306-E314 VanDerWaalsContact N-O 3.11Å; K306-E314 PolarHBondContact O-N 3.49Å
307K95.8Very high95.1Very high83 Ų8354.5 Ų54.536%0.36129%0.285SS..EExtended strand (participates in β ladder)trans-112.3121.7168.8-62.7-173.8175.9178.30108.4L277 E278 V304 Y313L277-K307 HydrophobicContact CD1-CG 4.46Å; E278-K307 IonicContact OE2-NZ 2.66Å; E278-K307 PolarHBondContact OE2-NZ 2.92Å; V304-K307 HydrophobicContact CG1-CG 3.81Å; K307-Y313 HydrophobicContact CB-CD1 3.71Å; K307-Y313 HydrophobicContact CB-CE1 3.77Å; K307-Y313 HydrophobicContact CD-CD1 4.25Å; K307-Y313 HydrophobicContact CD-CE1 3.84Å; K307-Y313 HydrophobicContact CD-CE2 4.31Å; K307-Y313 HydrophobicContact CG-CD1 3.58Å; K307-Y313 HydrophobicContact CG-CD2 4.43Å; K307-Y313 HydrophobicContact CG-CE1 3.66Å; K307-Y313 HydrophobicContact CG-CE2 4.47Å; K307-Y313 HydrophobicContact CG-CG 4.01Å
308N94.8Very high94.8Very high40 Ų4052.9 Ų52.921%0.21428%0.281CS..  trans-91152.3174.7-53.1-23.9000110K306 D310 G311 W312K306-N308 VanDerWaalsContact CE-OD1 3.3Å; K306-N308 WeakPolarHBondContact CE-OD1 3.46Å; N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.39Å; N308-G311 PolarHBondContact O-N 2.81Å; N308-G311 VanDerWaalsContact O-N 3.16Å; N308-W312 VanDerWaalsContact CB-O 3.25Å; N308-W312 WeakPolarHBondContact CB-O 3.34Å; N308-W312 PolarHBondContact N-O 3.32Å
309D92.7Very high94.7Very high178 Ų17848.4 Ų48.495%0.95227%0.272SS*.THydrogen-bonded Turntrans-68.1-16-178-58-47.6000113.4G311D309-G311 PolarHBondContact O-N 3.17Å
310D91.8Very high94.9Very high70 Ų7050.4 Ų50.437%0.37428%0.275SS..THydrogen-bonded Turntrans-80.63.8174.958.9-65.4000113.7P31 N308 W312P31-D310 VanDerWaalsContact CB-O 3.3Å; P31-D310 WeakPolarHBondContact CB-O 3.23Å; N308-D310 WeakPolarHBondContact CB-OD1 3.38Å; N308-D310 PolarHBondContact O-N 3.39Å; D310-W312 VanDerWaalsContact C-N 3.34Å
311G94.4Very high94.9Very high27 Ų2753.1 Ų53.128%0.27829%0.29SS..SBendtrans85.27177.300000114.3N308 D309 G326N308-G311 PolarHBondContact O-N 2.81Å; N308-G311 VanDerWaalsContact O-N 3.16Å; D309-G311 PolarHBondContact O-N 3.17Å; G311-G326 PolarHBondContact O-N 2.98Å
312W96.3Very high95Very high7 Ų750.5 Ų50.53%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-95.7136.2171.3-73.980000111P30 P31 S33 Y286 E293 N308 D310 L323 F324P30-W312 HydrophobicContact CB-CH2 4.46Å; P30-W312 HydrophobicContact CB-CZ2 4.11Å; P31-W312 HydrophobicContact CG-CG 4.49Å; P31-W312 WeakPolarHBondContact O-CZ2 3.28Å; P31-W312 PolarHBondContact O-NE1 3.04Å; S33-W312 VanDerWaalsContact OG-CE2 3.25Å; S33-W312 WeakPolarHBondContact OG-CZ2 3.33Å; S33-W312 PolarHBondContact OG-NE1 3.33Å; Y286-W312 VanDerWaalsContact OH-CH2 3.24Å; Y286-W312 WeakPolarHBondContact OH-CH2 3.28Å; E293-W312 HydrophobicContact CG-CH2 4.16Å; E293-W312 HydrophobicContact CG-CZ3 3.76Å; N308-W312 VanDerWaalsContact CB-O 3.25Å; N308-W312 WeakPolarHBondContact CB-O 3.34Å; N308-W312 PolarHBondContact N-O 3.32Å; D310-W312 VanDerWaalsContact C-N 3.34Å; W312-L323 HydrophobicContact CE3-CB 3.93Å; W312-L323 HydrophobicContact CZ3-CB 4.37Å; W312-F324 WeakPolarHBondContact CA-O 3.36Å
313Y97.3Very high95.1Very high52 Ų5252.2 Ų52.220%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-109.4144.3177.1-59.2-13.7000109.5V304 K306 K307 L323 F324 G326 V329V304-Y313 HydrophobicContact CG1-CG 4.45Å; V304-Y313 HydrophobicContact CG2-CD2 4.41Å; K306-Y313 CarbonylContact O-C 3.49Å; K306-Y313 WeakPolarHBondContact O-CA 3.25Å; K307-Y313 HydrophobicContact CB-CD1 3.71Å; K307-Y313 HydrophobicContact CB-CE1 3.77Å; K307-Y313 HydrophobicContact CD-CD1 4.25Å; K307-Y313 HydrophobicContact CD-CE1 3.84Å; K307-Y313 HydrophobicContact CD-CE2 4.31Å; K307-Y313 HydrophobicContact CG-CD1 3.58Å; K307-Y313 HydrophobicContact CG-CD2 4.43Å; K307-Y313 HydrophobicContact CG-CE1 3.66Å; K307-Y313 HydrophobicContact CG-CE2 4.47Å; K307-Y313 HydrophobicContact CG-CG 4.01Å; Y313-L323 CarbonylContact O-C 3.45Å; Y313-L323 VanDerWaalsContact O-CA 3.28Å; Y313-L323 WeakPolarHBondContact O-CA 3.35Å; Y313-F324 HydrophobicContact CD2-CE2 4.04Å; Y313-F324 HydrophobicContact CD2-CZ 4.36Å; Y313-F324 HydrophobicContact CG-CE2 4.46Å; Y313-F324 PolarHBondContact N-O 3.27Å; Y313-F324 WeakPolarHBondContact O-CD1 3.34Å; Y313-F324 PolarHBondContact O-N 2.87Å; Y313-G326 VanDerWaalsContact CE2-CA 3.42Å; Y313-V329 HydrophobicContact CD2-CG2 4.3Å; Y313-V329 HydrophobicContact CE2-CG2 4.32Å
314E97.3Very high95.2Very high68 Ų6852 Ų5232%0.31829%0.286SS..EExtended strand (participates in β ladder)trans-98.9129.8167.3-169.3179175.800107.8I305 K306 T321 L323I305-E314 PolarHBondContact N-O 3.21Å; K306-E314 HydrophobicContact CB-CB 3.96Å; K306-E314 PolarHBondContact N-O 2.84Å; K306-E314 VanDerWaalsContact N-O 3.11Å; K306-E314 PolarHBondContact O-N 3.49Å; E314-T321 HydrophobicContact CG-CG2 4.08Å; E314-L323 HydrophobicContact CB-CD2 3.97Å; E314-L323 HydrophobicContact CG-CD2 4.43Å
315G96.8Very high95.2Very high0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-157.5175.8177.400000113.6Y303 T321 G322Y303-G315 CarbonylContact O-C 3.5Å; Y303-G315 WeakPolarHBondContact O-CA 3.36Å; G315-T321 WeakPolarHBondContact O-CA 3.49Å; G315-G322 PolarHBondContact N-O 3.47Å; G315-G322 VanDerWaalsContact N-O 3.08Å; G315-G322 PolarHBondContact O-N 3.18Å
316V96.4Very high95.2Very high8 Ų849.3 Ų49.35%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-118.1130.8-174.5-174.50000109.9W271 P273 Y303 I305 V320 T321W271-V316 HydrophobicContact CE3-CG1 4.13Å; W271-V316 HydrophobicContact CZ3-CG1 4.32Å; P273-V316 HydrophobicContact CB-CG2 4.46Å; P273-V316 HydrophobicContact CG-CB 4.09Å; P273-V316 HydrophobicContact CG-CG2 4.06Å; Y303-V316 PolarHBondContact N-O 2.79Å; Y303-V316 PolarHBondContact O-N 3.16Å; I305-V316 HydrophobicContact CD1-CG2 3.33Å; I305-V316 HydrophobicContact CG1-CG2 4.15Å; V316-V320 WeakPolarHBondContact CA-O 3.24Å; V316-T321 HydrophobicContact CG2-CG2 4.29Å
317M94.4Very high95.2Very high22 Ų2246.8 Ų46.811%0.10827%0.266CS..EExtended strand (participates in β ladder)trans-137.5127.7172.1-177.8-167.361.200109L294 S295 F296 A300 I302 G319 V320L294-M317 HydrophobicContact CD1-CB 4.47Å; L294-M317 HydrophobicContact CD1-CE 4.32Å; L294-M317 HydrophobicContact CD2-CB 3.96Å; L294-M317 HydrophobicContact CG-CE 4.49Å; S295-M317 WeakPolarHBondContact O-CE 3.39Å; F296-M317 HydrophobicContact CB-CE 3.74Å; F296-M317 HydrophobicContact CB-SD 3.58Å; F296-M317 VanDerWaalsContact CB-SD 3.58Å; A300-M317 HydrophobicContact CB-SD 3.69Å; I302-M317 HydrophobicContact CG1-CB 4.25Å; I302-M317 HydrophobicContact CG1-CG 4.48Å; I302-M317 HydrophobicContact CG1-SD 4.45Å; I302-M317 HydrophobicContact CG2-CB 4.49Å; M317-G319 PolarHBondContact O-N 2.74Å; M317-G319 VanDerWaalsContact O-N 3.16Å; M317-V320 PolarHBondContact N-O 3.42Å; M317-V320 PolarHBondContact O-N 2.77Å
318N90.1Very high95.2Very high113 Ų11343.6 Ų43.660%0.60425%0.252SS*.THydrogen-bonded Turntrans52.835.2-179.8-60.2-49.5000113.2W271 V320W271-N318 VanDerWaalsContact CH2-N 3.3Å; N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.37Å
319G90.9Very high95.2Very high45 Ų4542.4 Ų42.446%0.46425%0.246SC..THydrogen-bonded Turntrans75.54-177.400000115.5W271 M317W271-G319 VanDerWaalsContact CE3-N 3.31Å; M317-G319 PolarHBondContact O-N 2.74Å; M317-G319 VanDerWaalsContact O-N 3.16Å
320V94.8Very high95.2Very high88 Ų8839.4 Ų39.453%0.53323%0.226SC..EExtended strand (participates in β ladder)trans-100.4126.5174.8-177.10000109.3L294 V316 M317 N318L294-V320 HydrophobicContact CD1-CB 4.08Å; L294-V320 HydrophobicContact CD1-CG1 3.82Å; V316-V320 WeakPolarHBondContact CA-O 3.24Å; M317-V320 PolarHBondContact N-O 3.42Å; M317-V320 PolarHBondContact O-N 2.77Å; N318-V320 VanDerWaalsContact C-N 3.25Å; N318-V320 PolarHBondContact O-N 3.37Å
321T96.1Very high95.2Very high75 Ų7538.6 Ų38.646%0.4623%0.226SC..EExtended strand (participates in β ladder)trans-95.5140.3174.2-49.70000110.3E314 G315 V316E314-T321 HydrophobicContact CG-CG2 4.08Å; G315-T321 WeakPolarHBondContact O-CA 3.49Å; V316-T321 HydrophobicContact CG2-CG2 4.29Å
322G96.8Very high94.7Very high6 Ų640.4 Ų40.46%0.06223%0.229CC..EExtended strand (participates in β ladder)trans-175.4175.9169.500000113.5D292 G315D292-G322 CarbonylContact O-C 3.54Å; D292-G322 VanDerWaalsContact O-CA 3.28Å; D292-G322 WeakPolarHBondContact O-CA 3.31Å; G315-G322 PolarHBondContact N-O 3.47Å; G315-G322 VanDerWaalsContact N-O 3.08Å; G315-G322 PolarHBondContact O-N 3.18Å
323L97.4Very high93.6Very high35 Ų3546.8 Ų46.818%0.18326%0.261CS..EExtended strand (participates in β ladder)trans-84140.4177.8-68.2177000111.9D292 E293 L294 W312 Y313 E314D292-L323 PolarHBondContact O-N 2.97Å; D292-L323 WeakPolarHBondContact OD2-CD1 3.25Å; E293-L323 CarbonylContact C-O 3.49Å; E293-L323 WeakPolarHBondContact CA-O 3.26Å; E293-L323 WeakPolarHBondContact CB-O 3.34Å; E293-L323 HydrophobicContact CG-CB 4.32Å; L294-L323 PolarHBondContact N-O 2.95Å; W312-L323 HydrophobicContact CE3-CB 3.93Å; W312-L323 HydrophobicContact CZ3-CB 4.37Å; Y313-L323 CarbonylContact O-C 3.45Å; Y313-L323 VanDerWaalsContact O-CA 3.28Å; Y313-L323 WeakPolarHBondContact O-CA 3.35Å; E314-L323 HydrophobicContact CB-CD2 3.97Å; E314-L323 HydrophobicContact CG-CD2 4.43Å
324F97.2Very high91.4Very high0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-148155.7173.262.5-85.5000112.7V280 L294 F296 I302 V304 W312 Y313 G326 V329V280-F324 HydrophobicContact CG2-CE2 4.43Å; V280-F324 HydrophobicContact CG2-CZ 4.31Å; L294-F324 HydrophobicContact CD2-CD1 4.14Å; F296-F324 HydrophobicContact CE1-CB 3.54Å; F296-F324 HydrophobicContact CE1-CD2 4.1Å; F296-F324 AromaticContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CE1-CG 3.91Å; F296-F324 HydrophobicContact CZ-CB 4.2Å; F296-F324 HydrophobicContact CZ-CD2 4.23Å; F296-F324 HydrophobicContact CZ-CG 4.48Å; I302-F324 HydrophobicContact CB-CZ 4.32Å; I302-F324 HydrophobicContact CD1-CD2 4.47Å; I302-F324 HydrophobicContact CD1-CE2 4.29Å; I302-F324 HydrophobicContact CD1-CZ 4.29Å; I302-F324 HydrophobicContact CG2-CD1 4.41Å; I302-F324 HydrophobicContact CG2-CE1 3.57Å; I302-F324 HydrophobicContact CG2-CZ 3.7Å; V304-F324 HydrophobicContact CG2-CZ 4.06Å; W312-F324 WeakPolarHBondContact CA-O 3.36Å; Y313-F324 HydrophobicContact CD2-CE2 4.04Å; Y313-F324 HydrophobicContact CD2-CZ 4.36Å; Y313-F324 HydrophobicContact CG-CE2 4.46Å; Y313-F324 PolarHBondContact N-O 3.27Å; Y313-F324 WeakPolarHBondContact O-CD1 3.34Å; Y313-F324 PolarHBondContact O-N 2.87Å; F324-G326 PolarHBondContact O-N 2.9Å; F324-V329 HydrophobicContact CD2-CG1 3.99Å; F324-V329 HydrophobicContact CE2-CB 4.42Å; F324-V329 HydrophobicContact CE2-CG1 3.66Å; F324-V329 HydrophobicContact CE2-CG2 3.88Å
325P96.9Very high88.7Confident0 Ų058.1 Ų58.10%031%0.307CS..EExtended strand (participates in β ladder)trans-70.8126.2179.429.9-39.4000112.1P30 Y286 N327 Y328P30-P325 HydrophobicContact CB-CB 3.56Å; P30-P325 HydrophobicContact CB-CG 3.89Å; Y286-P325 HydrophobicContact CD2-CG 3.64Å; Y286-P325 HydrophobicContact CE2-CG 3.67Å; Y286-P325 HydrophobicContact CG-CG 4.13Å; P325-N327 WeakPolarHBondContact CB-OD1 3.49Å; P325-N327 PolarHBondContact O-N 2.95Å; P325-Y328 HydrophobicContact CB-CD2 3.62Å; P325-Y328 HydrophobicContact CB-CE2 4Å; P325-Y328 HydrophobicContact CB-CG 4.44Å; P325-Y328 HydrophobicContact CG-CD1 4.41Å; P325-Y328 HydrophobicContact CG-CD2 3.22Å; P325-Y328 HydrophobicContact CG-CE2 3.63Å; P325-Y328 HydrophobicContact CG-CG 3.67Å; P325-Y328 PolarHBondContact O-N 2.99Å
326G95.5Very high85.9Confident9 Ų963.6 Ų63.69%0.09335%0.345CS..G310 helixtrans-63.4-24-179.100000114.2G311 Y313 F324 Y328 V329G311-G326 PolarHBondContact O-N 2.98Å; Y313-G326 VanDerWaalsContact CE2-CA 3.42Å; F324-G326 PolarHBondContact O-N 2.9Å; G326-Y328 PolarHBondContact O-N 2.98Å; G326-V329 VanDerWaalsContact O-CG2 3.28Å; G326-V329 WeakPolarHBondContact O-CG2 3.16Å; G326-V329 PolarHBondContact O-N 3.04Å
327N95.9Very high82.9Confident57 Ų5775.7 Ų75.731%0.30540%0.401SS..G310 helixtrans-77.11.6178.566.8-62.4000114.4P28 P31 P325P28-N327 WeakPolarHBondContact CG-ND2 3.48Å; P28-N327 PolarHBondContact O-ND2 3.1Å; P31-N327 WeakPolarHBondContact CD-OD1 3.3Å; P325-N327 WeakPolarHBondContact CB-OD1 3.49Å; P325-N327 PolarHBondContact O-N 2.95Å
328Y95.5Very high82.3Confident15 Ų1578.4 Ų78.46%0.05942%0.416CS..G310 helixtrans-100.5-0.8176.4-78.5-117.2000112.9P27 P28 P30 A282 I283 Y284 D285 Y286 P325 G326P27-Y328 HydrophobicContact CB-CE1 3.85Å; P27-Y328 HydrophobicContact CG-CE1 4.49Å; P28-Y328 WeakPolarHBondContact O-CE2 2.95Å; P28-Y328 PolarHBondContact O-OH 3.03Å; P30-Y328 HydrophobicContact CB-CE2 4.22Å; P30-Y328 WeakPolarHBondContact CD-OH 3.3Å; A282-Y328 WeakPolarHBondContact CA-O 3.28Å; I283-Y328 VanDerWaalsContact CG1-O 3.25Å; I283-Y328 WeakPolarHBondContact CG1-O 3.4Å; I283-Y328 PolarHBondContact N-O 2.9Å; Y284-Y328 PolarHBondContact N-O 3.08Å; D285-Y328 WeakPolarHBondContact O-CE1 3.29Å; Y286-Y328 HydrophobicContact CD2-CD1 4.1Å; Y286-Y328 AromaticContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CD2-CE1 3.86Å; Y286-Y328 HydrophobicContact CG-CD1 4.48Å; P325-Y328 HydrophobicContact CB-CD2 3.62Å; P325-Y328 HydrophobicContact CB-CE2 4Å; P325-Y328 HydrophobicContact CB-CG 4.44Å; P325-Y328 HydrophobicContact CG-CD1 4.41Å; P325-Y328 HydrophobicContact CG-CD2 3.22Å; P325-Y328 HydrophobicContact CG-CE2 3.63Å; P325-Y328 HydrophobicContact CG-CG 3.67Å; P325-Y328 PolarHBondContact O-N 2.99Å; G326-Y328 PolarHBondContact O-N 2.98Å
329V94.4Very high81.9Confident15 Ų1576.5 Ų76.59%0.09141%0.406CS..EExtended strand (participates in β ladder)trans-132.3156.5-173.8-58.60000111.2V280 V281 F296 I302 Y313 F324 G326V280-V329 HydrophobicContact CB-CB 3.95Å; V280-V329 HydrophobicContact CB-CG2 4.07Å; V280-V329 HydrophobicContact CG1-CG2 4.33Å; V280-V329 HydrophobicContact CG2-CB 3.83Å; V280-V329 HydrophobicContact CG2-CG1 4.03Å; V280-V329 HydrophobicContact CG2-CG2 3.93Å; V281-V329 CarbonylContact O-C 3.5Å; V281-V329 VanDerWaalsContact O-CA 3.23Å; V281-V329 WeakPolarHBondContact O-CA 3.42Å; F296-V329 HydrophobicContact CE2-CG1 4.43Å; F296-V329 HydrophobicContact CZ-CG1 4.24Å; I302-V329 HydrophobicContact CD1-CG1 4.23Å; Y313-V329 HydrophobicContact CD2-CG2 4.3Å; Y313-V329 HydrophobicContact CE2-CG2 4.32Å; F324-V329 HydrophobicContact CD2-CG1 3.99Å; F324-V329 HydrophobicContact CE2-CB 4.42Å; F324-V329 HydrophobicContact CE2-CG1 3.66Å; F324-V329 HydrophobicContact CE2-CG2 3.88Å; G326-V329 VanDerWaalsContact O-CG2 3.28Å; G326-V329 WeakPolarHBondContact O-CG2 3.16Å; G326-V329 PolarHBondContact O-N 3.04Å
330E93.4Very high81.4Confident115 Ų11578.3 Ų78.354%0.53740%0.403SS..EExtended strand (participates in β ladder)trans-125144.5172.2-75-178.7177.300110.6V280 V281 I283 I332V280-E330 CarbonylContact C-O 3.54Å; V280-E330 WeakPolarHBondContact CA-O 3.45Å; V280-E330 WeakPolarHBondContact CB-O 3.12Å; V281-E330 HydrophobicContact CG1-CB 4.32Å; V281-E330 PolarHBondContact N-O 3.19Å; V281-E330 PolarHBondContact O-N 2.81Å; I283-E330 HydrophobicContact CD1-CG 4.07Å; I283-E330 HydrophobicContact CG1-CG 4.44Å; I283-E330 HydrophobicContact CG2-CB 4.01Å; I283-E330 HydrophobicContact CG2-CG 3.63Å; E330-I332 PolarHBondContact O-N 3.07Å
331S91.4Very high80.6Confident54 Ų5477.7 Ų77.738%0.37840%0.395SS..EExtended strand (participates in β ladder)trans-60.9127.6173.4-59.90000111.1E278 M333E278-S331 VanDerWaalsContact CD-OG 3.27Å; E278-S331 WeakPolarHBondContact OE1-CB 3.49Å; E278-S331 PolarHBondContact OE1-OG 3.15Å; S331-M333 PolarHBondContact O-N 3.08Å
332I84.3Confident79.6Confident65 Ų6577.9 Ų77.933%0.33339%0.391SS..SBendtrans-81.1-3.1176.565.9145.4000113.5K279 V281 I301 E330 H334K279-I332 HydrophobicContact CB-CD1 3.7Å; K279-I332 HydrophobicContact CB-CG1 3.64Å; K279-I332 HydrophobicContact CD-CD1 3.45Å; K279-I332 VanDerWaalsContact CD-CD1 3.45Å; K279-I332 HydrophobicContact CD-CG1 4.31Å; K279-I332 HydrophobicContact CG-CD1 3.41Å; K279-I332 VanDerWaalsContact CG-CD1 3.41Å; K279-I332 HydrophobicContact CG-CG1 3.75Å; K279-I332 WeakPolarHBondContact O-CG1 2.99Å; K279-I332 PolarHBondContact O-N 3.42Å; K279-I332 VanDerWaalsContact O-N 3.11Å; V281-I332 HydrophobicContact CB-CG2 3.72Å; V281-I332 HydrophobicContact CG1-CG2 3.82Å; I301-I332 HydrophobicContact CD1-CG2 4.48Å; E330-I332 PolarHBondContact O-N 3.07Å; I332-H334 PolarHBondContact O-N 3.43Å
333M72.7Confident78.5Confident141 Ų14182.7 Ų82.770%0.69541%0.413SS*.  trans-73.728.8-178.5-64.6-66.4-96.400114.4S331S331-M333 PolarHBondContact O-N 3.08Å
334H50.7Low77.1Confident139 Ų13986.1 Ų86.164%0.64443%0.43SS*.  trans-109.8142.9172.8-8788.9000111.2I332I332-H334 PolarHBondContact O-N 3.43Å
335Y40.8Very low75.6Confident219 Ų21992.7 Ų92.786%0.85946%0.463SS*.  trans94.475.7171.6-44.8-68000117
336S38.4Very low73.8Confident114 Ų114100.4 Ų100.480%0.79750%0.501SS*.  trans-106.691.8132.422.30000108.3
337E32.5Very low71.8Confident262 Ų262108.7 Ų108.7100%1.22454%0.538SS*.  trans-141.20159.9-158.9172.1151.300109.7

Retrieved 337 of 337 residues in 379 ms (Link to these results)