A0A096NFM0_PAPAN Loading...

Testis expressed 101

AlphaFold DB , UniProt , Accession A0A096NFM0, Species PAPAN (Papio anubis, Olive baboon), Gene TEX101, Length 262 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
1I36.6Very low34.9Very low228 Ų228139.9 Ų139.9100%1.16980%0.803SS**  0124.70-69.6168.9000106.3
2Q36.2Very low34.9Very low175 Ų175143.6 Ų143.682%0.81881%0.808SS**  trans-52.3154.6-173-87.2152.7-59.700113.9
3T32.2Very low35.5Very low130 Ų130140.8 Ų140.880%0.79881%0.814SS**  166.1129.4108.138.80000108.8
4S33.2Very low35.7Very low110 Ų110144 Ų14477%0.76982%0.821SS**  70.1139.8105.2-157.30000112.7
5S34.7Very low36.2Very low91 Ų91139.7 Ų139.764%0.63682%0.821SS**  cis180145.40.134.80000105.5
6S33.9Very low36.5Very low103 Ų103139.3 Ų139.372%0.7282%0.82SS**  trans39.5124147.8610000121.6
7Q34.8Very low36.9Very low175 Ų175137.6 Ų137.682%0.81882%0.815SS**  -178.4131.1122.2-103.3175-26.600114.1
8T31.5Very low37.3Very low122 Ų122143.5 Ų143.575%0.74882%0.821SS**  trans60.6105.1140.2540000123.6
9S31Very low38.1Very low113 Ų113142.9 Ų142.979%0.7981%0.813SS**  27.4161.3118.6-150.50000122.1
10P46.5Very low38.8Very low111 Ų111144.9 Ų144.972%0.72182%0.815SS**  cis-129.7-156.8-25.225.20.5000112.1
11E33.9Very low39.2Very low181 Ų181145.7 Ų145.785%0.84681%0.812SS**  trans83.6125.6179-87.9174.397.300114.3
12E33.9Very low39.9Very low184 Ų184141.9 Ų141.986%0.8679%0.793SS**  cis-142.7157.234.1-69.7-179.4116.200112.7
13A42.8Very low40.8Very low108 Ų108140.5 Ų140.589%0.89379%0.791SS**  trans-70.8132.3175.300000112.2
14M38.5Very low42.1Very low185 Ų185140.3 Ų140.391%0.91178%0.784SS**  trans-132.6119.3163-163.8116.5139.700108.2
15G43.4Very low43.1Very low79 Ų79141.9 Ų141.981%0.81478%0.782SS**  trans-59.6140.5-170.100000114.2
16T40.5Very low44.2Very low133 Ų133144.6 Ų144.682%0.81679%0.789SS**  trans-107143.5168.428.60000109.5R18T16-R18 PolarHBondContact O-N 3.03Å
17P44.7Very low45.4Very low112 Ų112145.5 Ų145.573%0.72779%0.79SS**  trans-73.9127.7179.530.8-30.7000109.2I19P17-I19 PolarHBondContact O-N 3Å
18R43.1Very low46.6Very low243 Ų243144.8 Ų144.892%0.91779%0.791SS**  trans-66.198.2167.3-97.9-177.1170.4169.5-2.3108.7T16 Q20T16-R18 PolarHBondContact O-N 3.03Å; R18-Q20 PolarHBondContact O-N 3.2Å
19I52.8Low47.9Very low132 Ų132141 Ų14168%0.67778%0.776SS**  trans-74.2100.9160.8-63.7170.2000106.1P17 H21P17-I19 PolarHBondContact O-N 3Å; I19-H21 VanDerWaalsContact C-N 3.35Å; I19-H21 PolarHBondContact O-N 3Å
20Q52.3Low49.3Very low183 Ų183140.7 Ų140.786%0.85577%0.771SS**  trans-67.396.9166.6-91.5178.3-40.900108R18 L22R18-Q20 PolarHBondContact O-N 3.2Å; Q20-L22 PolarHBondContact O-N 3.43Å
21H46.2Very low49.7Very low161 Ų161140.6 Ų140.675%0.74577%0.773SS**  trans-65.2101.1160.9-88.6-76.9000108I19 L23I19-H21 VanDerWaalsContact C-N 3.35Å; I19-H21 PolarHBondContact O-N 3Å; H21-L23 PolarHBondContact O-N 3.06Å
22L52.9Low50.5Low148 Ų148138.4 Ų138.478%0.77577%0.767SS**  trans-68.595.2166.8-164.777.8000107.4Q20 I24Q20-L22 PolarHBondContact O-N 3.43Å; L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 HydrophobicContact CD2-CG1 3.91Å; L22-I24 HydrophobicContact CG-CG1 4.14Å; L22-I24 PolarHBondContact O-N 3.03Å
23L53.7Low51.2Low147 Ų147136.4 Ų136.477%0.7776%0.761SS**  trans-70.696.2166.9-109.2106.1000107.8H21 L25H21-L23 PolarHBondContact O-N 3.06Å; L23-L25 PolarHBondContact O-N 3.18Å
24I59.5Low51.6Low126 Ų126137 Ų13765%0.64675%0.754SS**  trans-77.896.1165.4-58.4172.1000106.2L22 L26L22-I24 HydrophobicContact CD2-CD1 4.06Å; L22-I24 HydrophobicContact CD2-CG1 3.91Å; L22-I24 HydrophobicContact CG-CG1 4.14Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 HydrophobicContact CG2-CG 4.35Å; I24-L26 PolarHBondContact O-N 2.81Å
25L55.6Low52.3Low142 Ų142132.3 Ų132.374%0.74374%0.739SS**  trans-68.692.5165.7-89.6150.3000108.1L23 V27L23-L25 PolarHBondContact O-N 3.18Å; L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 2.83Å
26L57.6Low53Low149 Ų149131.2 Ų131.278%0.7873%0.728SS**  trans-68.991.1161.6-86.1158.8000107.5I24 L28I24-L26 VanDerWaalsContact C-N 3.32Å; I24-L26 HydrophobicContact CG2-CG 4.35Å; I24-L26 PolarHBondContact O-N 2.81Å; L26-L28 PolarHBondContact O-N 2.87Å
27V58.9Low54.4Low122 Ų122132.6 Ų132.674%0.73973%0.729SS**  trans-7188.2164.3-173.60000106.2L25 G29L25-V27 VanDerWaalsContact C-N 3.26Å; L25-V27 PolarHBondContact O-N 2.83Å; V27-G29 PolarHBondContact O-N 2.95Å
28L60.1Low56.5Low160 Ų160132.5 Ų132.584%0.83872%0.719SS**  trans-64.187.2154.8-78.6159.7000105.3L26L26-L28 PolarHBondContact O-N 2.87Å
29G58.2Low59Low42 Ų42121.8 Ų121.843%0.43368%0.68SS.*  trans-53.6126.2166.200000106.2V27 S31V27-G29 PolarHBondContact O-N 2.95Å; G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 2.99Å
30P59.8Low61.1Low107 Ų107119.1 Ų119.170%0.69566%0.662SS**  trans-58.3109.917023.1-28.6000105.1L32P30-L32 HydrophobicContact CB-CD1 4.14Å; P30-L32 HydrophobicContact CG-CD1 4.07Å; P30-L32 PolarHBondContact O-N 3.01Å
31S55Low63.2Low109 Ų109110.4 Ų110.476%0.76262%0.621SS**  trans-60.287.8159.4-57.90000104.3G29 L33G29-S31 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 2.99Å; S31-L33 PolarHBondContact O-N 2.75Å
32L51.7Low65.7Low134 Ų134104.4 Ų104.470%0.70259%0.594SS**  trans-6286.2156.6-83.294.2000103.7P30 T34P30-L32 HydrophobicContact CB-CD1 4.14Å; P30-L32 HydrophobicContact CG-CD1 4.07Å; P30-L32 PolarHBondContact O-N 3.01Å; L32-T34 PolarHBondContact O-N 2.81Å
33L48.8Very low67.8Low142 Ų142101.3 Ų101.374%0.74357%0.574SS**  trans-58.187.4151.5-73.4162.1000103.9S31 S35S31-L33 PolarHBondContact O-N 2.75Å; L33-S35 PolarHBondContact O-N 3.31Å
34T50.5Low69.8Low122 Ų12295.2 Ų95.275%0.74855%0.547SS*.  trans-68.367.6151.951.20000105.7L32 G36L32-T34 PolarHBondContact O-N 2.81Å; T34-G36 PolarHBondContact O-N 2.77Å
35S53.3Low71.4Confident86 Ų8693.5 Ų93.560%0.60154%0.538SS*.  trans-58.691.8150.6-58.90000102.9L33 L37L33-S35 PolarHBondContact O-N 3.31Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.2Å
36G58.3Low73.2Confident55 Ų5588.4 Ų88.457%0.56752%0.515SS*.  trans-51.8112.2166.800000104.3T34 E38T34-G36 PolarHBondContact O-N 2.77Å; G36-E38 PolarHBondContact O-N 2.73Å; G36-E38 VanDerWaalsContact O-N 3.12Å
37L69.9Low75Confident162 Ų16284.7 Ų84.785%0.84849%0.494SS*.PPolyproline II helixtrans-55.4126.6-179-93.5103.3000106.2S35 L39S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.2Å; L37-L39 PolarHBondContact O-N 2.89Å
38E88Confident76.6Confident110 Ų11080.7 Ų80.751%0.51447%0.47SS..PPolyproline II helixtrans-62119173.1-171168.2-14900106.9G36 Y40 T66G36-E38 PolarHBondContact O-N 2.73Å; G36-E38 VanDerWaalsContact O-N 3.12Å; E38-Y40 HydrophobicContact CB-CE2 3.98Å; E38-Y40 VanDerWaalsContact CD-OH 3.25Å; E38-Y40 HydrophobicContact CG-CE2 3.97Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.36Å; E38-Y40 VanDerWaalsContact O-CE2 3.29Å; E38-Y40 WeakPolarHBondContact O-CE2 3.3Å; E38-Y40 PolarHBondContact OE2-OH 3.12Å; E38-T66 HydrophobicContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact OE1-CG2 3.3Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.08Å
39L95.4Very high78.3Confident19 Ų1975.6 Ų75.610%0.09945%0.445CS..PPolyproline II helixtrans-86.1131-177.1178.766.2000108.9L37 C67 A71 E123L37-L39 PolarHBondContact O-N 2.89Å; L39-C67 HydrophobicContact CB-CB 4.11Å; L39-C67 HydrophobicContact CD2-CB 4.17Å; L39-C67 HydrophobicContact CG-CB 4.28Å; L39-C67 PolarHBondContact O-N 2.56Å; L39-A71 WeakPolarHBondContact CD2-O 3.23Å; L39-E123 WeakPolarHBondContact CD1-O 2.96Å
40Y97Very high79.7Confident76 Ų7675.9 Ų75.930%0.29844%0.435SS..EExtended strand (participates in β ladder)trans-115.9132176.1-61.7-90.8000109.6E38 V64 E65 T66 S125 F126E38-Y40 HydrophobicContact CB-CE2 3.98Å; E38-Y40 VanDerWaalsContact CD-OH 3.25Å; E38-Y40 HydrophobicContact CG-CE2 3.97Å; E38-Y40 VanDerWaalsContact O-CD2 3.26Å; E38-Y40 WeakPolarHBondContact O-CD2 3.36Å; E38-Y40 VanDerWaalsContact O-CE2 3.29Å; E38-Y40 WeakPolarHBondContact O-CE2 3.3Å; E38-Y40 PolarHBondContact OE2-OH 3.12Å; Y40-V64 HydrophobicContact CD1-CG1 4.19Å; Y40-E65 WeakPolarHBondContact CA-O 3.13Å; Y40-T66 WeakPolarHBondContact CE1-OG1 2.99Å; Y40-S125 PolarHBondContact N-OG 2.82Å; Y40-S125 CarbonylContact O-C 3.54Å; Y40-S125 VanDerWaalsContact O-CA 3.27Å; Y40-S125 WeakPolarHBondContact O-CA 3.03Å; Y40-F126 VanDerWaalsContact CB-CZ 3.48Å; Y40-F126 HydrophobicContact CG-CE2 4.47Å; Y40-F126 HydrophobicContact CG-CZ 4.05Å; Y40-F126 PolarHBondContact O-N 2.7Å
41C97.8Very high80.7Confident0 Ų074 Ų740%043%0.429CS..EExtended strand (participates in β ladder)trans-123.9148.3178.4-57.90000110.8K43 V64 E65 C67 C73C41-K43 PolarHBondContact O-N 2.03Å; C41-V64 WeakPolarHBondContact O-CA 3.21Å; C41-E65 PolarHBondContact N-O 3.13Å; C41-E65 PolarHBondContact O-N 3.02Å; C41-C67 PolarHBondContact SG-SG 2.86Å; C41-C73 VanDerWaalsContact CA-SG 3.52Å; C41-C73 HydrophobicContact CB-CB 3.79Å; C41-C73 WeakPolarHBondContact CB-SG 3.49Å; C41-C73 WeakPolarHBondContact SG-CA 3.32Å; C41-C73 WeakPolarHBondContact SG-CB 3.22Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.32Å
42Q97.8Very high81.5Confident35 Ų3571.5 Ų71.516%0.16441%0.407CS..EExtended strand (participates in β ladder)trans-60.4135.5164.5-70.9-167.79.700109T61 K92 G93 N128Q42-T61 HydrophobicContact CB-CG2 3.57Å; Q42-T61 HydrophobicContact CG-CG2 4.12Å; Q42-K92 HydrophobicContact CB-CB 4.43Å; Q42-K92 HydrophobicContact CB-CD 3.9Å; Q42-K92 CarbonylContact O-C 3.55Å; Q42-K92 VanDerWaalsContact O-C 3.31Å; Q42-K92 VanDerWaalsContact O-CB 3.25Å; Q42-K92 WeakPolarHBondContact O-CB 3.48Å; Q42-G93 WeakPolarHBondContact O-CA 3.29Å; Q42-G93 PolarHBondContact O-N 3.02Å; Q42-G93 VanDerWaalsContact O-N 3.13Å; Q42-N128 WeakPolarHBondContact CB-OD1 3.47Å; Q42-N128 VanDerWaalsContact CD-O 3.31Å; Q42-N128 PolarHBondContact N-OD1 2.71Å; Q42-N128 PolarHBondContact O-ND2 2.82Å; Q42-N128 PolarHBondContact OE1-O 2.83Å; Q42-N128 VanDerWaalsContact OE1-O 3.08Å
43K97Very high82.3Confident83 Ų8365.2 Ų65.236%0.36137%0.374SS..EExtended strand (participates in β ladder)trans-116.8133.2-180-172.2-170-173.3119.80109.4C41 T61 E63 E65 K92C41-K43 PolarHBondContact O-N 2.03Å; K43-T61 VanDerWaalsContact O-CB 3.29Å; K43-T61 WeakPolarHBondContact O-CB 3.02Å; K43-T61 VanDerWaalsContact O-CG2 3.23Å; K43-T61 WeakPolarHBondContact O-CG2 3.39Å; K43-T61 PolarHBondContact O-OG1 3.16Å; K43-E63 HydrophobicContact CB-CB 4.06Å; K43-E63 PolarHBondContact N-O 2.81Å; K43-E65 HydrophobicContact CB-CB 4.36Å; K43-E65 HydrophobicContact CB-CG 3.99Å; K43-E65 HydrophobicContact CD-CB 4.21Å; K43-E65 HydrophobicContact CD-CG 4.34Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.29Å; K43-E65 HydrophobicContact CG-CG 4.25Å; K43-E65 IonicContact NZ-OE2 2.7Å; K43-E65 PolarHBondContact NZ-OE2 2.85Å; K43-K92 WeakPolarHBondContact CA-O 3.24Å
44G94.9Very high83.2Confident19 Ų1959.3 Ų59.320%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-174.8154175.100000112.2M91 K92G44-M91 CarbonylContact O-C 3.48Å; G44-M91 VanDerWaalsContact O-CA 3.24Å; G44-M91 WeakPolarHBondContact O-CA 3.36Å; G44-K92 PolarHBondContact N-O 2.97Å; G44-K92 PolarHBondContact O-N 2.01Å
45L94.6Very high84.1Confident90 Ų9059.9 Ų59.947%0.47134%0.344SS..EExtended strand (participates in β ladder)trans-140.5126.7176.6-168.267.7000109M91 G188 I189L45-M91 HydrophobicContact CD1-CB 3.88Å; L45-G188 WeakPolarHBondContact CD2-O 3.24Å; L45-I189 HydrophobicContact CD1-CD1 3.96Å; L45-I189 HydrophobicContact CD1-CG1 3.4Å; L45-I189 HydrophobicContact CG-CG1 4.37Å
46S93.2Very high84.8Confident35 Ų3561.3 Ų61.325%0.24534%0.343CS..EExtended strand (participates in β ladder)trans-138.8134178.8-172.70000110.8A90S46-A90 PolarHBondContact N-O 2.95Å; S46-A90 PolarHBondContact O-N 2.84Å
47M94.6Very high85.8Confident71 Ų7159.6 Ų59.635%0.3532%0.32SS..EExtended strand (participates in β ladder)trans-136.4107.3173.3-65.7-179.4-71.500107.9I88 L89 L159 I189M47-I88 WeakPolarHBondContact CA-O 3.26Å; M47-L89 HydrophobicContact CG-CD2 4.26Å; M47-L89 HydrophobicContact CG-CG 4.33Å; M47-L89 HydrophobicContact SD-CD2 4.34Å; M47-L159 HydrophobicContact CB-CD1 3.88Å; M47-L159 HydrophobicContact CB-CD2 4.4Å; M47-L159 WeakPolarHBondContact O-CD1 3.32Å; M47-I189 HydrophobicContact CG-CD1 4.46Å; M47-I189 HydrophobicContact SD-CG1 4.46Å; M47-I189 HydrophobicContact SD-CG2 3.91Å
48T93.8Very high86.3Confident38 Ų3857 Ų5723%0.23331%0.307CS..EExtended strand (participates in β ladder)trans-136.4165-177.663.10000111.6E50 A87 I88T48-E50 WeakPolarHBondContact CB-OE1 3.34Å; T48-E50 PolarHBondContact OG1-OE1 3.27Å; T48-A87 CarbonylContact O-C 3.6Å; T48-A87 WeakPolarHBondContact O-CA 3.23Å; T48-I88 PolarHBondContact N-O 2.94Å; T48-I88 PolarHBondContact O-N 2.86Å
49V93.9Very high86.3Confident53 Ų5352.4 Ų52.432%0.32129%0.285SS..EExtended strand (participates in β ladder)trans-121.5116.3167.5-177.50000107E85 T86 A87 V157 L159V49-E85 HydrophobicContact CG1-CB 4.14Å; V49-T86 CarbonylContact C-O 3.58Å; V49-T86 VanDerWaalsContact CA-O 3.31Å; V49-T86 WeakPolarHBondContact CA-O 3.44Å; V49-A87 HydrophobicContact CG2-CB 4.26Å; V49-V157 HydrophobicContact CG1-CG1 4.26Å; V49-L159 HydrophobicContact CG2-CG 4Å
50E88Confident85.7Confident47 Ų4755.5 Ų55.522%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-120144.5-173.7-61.1-61158.800110.7T48 P53 E85 T86 I88T48-E50 WeakPolarHBondContact CB-OE1 3.34Å; T48-E50 PolarHBondContact OG1-OE1 3.27Å; E50-P53 HydrophobicContact CB-CG 4.26Å; E50-E85 CarbonylContact O-C 3.53Å; E50-T86 PolarHBondContact N-O 3.41Å; E50-T86 PolarHBondContact O-N 3.44Å; E50-I88 HydrophobicContact CB-CD1 4.23Å; E50-I88 HydrophobicContact CG-CD1 3.87Å
51A81.4Confident85.1Confident68 Ų6853.7 Ų53.756%0.56230%0.301SS*.SBendtrans-75.2-37173.600000112.1T84A51-T84 CarbonylContact C-O 3.53Å; A51-T84 VanDerWaalsContact CA-O 3.24Å; A51-T84 WeakPolarHBondContact CA-O 3.5Å
52D71.1Confident84.3Confident57 Ų5763 Ų6331%0.30535%0.345SS..  trans-136.880.3-179.5-1738.4000112.4A54 N55 M56D52-A54 VanDerWaalsContact C-N 3.3Å; D52-A54 PolarHBondContact O-N 3.44Å; D52-N55 PolarHBondContact O-N 2.94Å; D52-N55 PolarHBondContact OD2-ND2 2.95Å; D52-M56 HydrophobicContact CB-CG 4.44Å; D52-M56 HydrophobicContact CB-SD 4.03Å; D52-M56 WeakPolarHBondContact O-CB 3.36Å; D52-M56 VanDerWaalsContact O-CG 3.26Å; D52-M56 WeakPolarHBondContact O-CG 3.39Å; D52-M56 PolarHBondContact O-N 3.25Å
53P69.8Low84.1Confident1 Ų167.2 Ų67.21%0.00637%0.365CS..Hα-helixtrans-57-38.4-178-25.733.6000114.5E50 N55 M56 F57 T86 I88 W137E50-P53 HydrophobicContact CB-CG 4.26Å; P53-N55 PolarHBondContact O-N 3.38Å; P53-M56 PolarHBondContact O-N 3.16Å; P53-F57 VanDerWaalsContact O-CB 3.24Å; P53-F57 WeakPolarHBondContact O-CB 3.08Å; P53-F57 PolarHBondContact O-N 2.99Å; P53-T86 HydrophobicContact CG-CG2 3.69Å; P53-T86 WeakPolarHBondContact CG-OG1 3.21Å; P53-I88 HydrophobicContact CB-CD1 3.63Å; P53-I88 HydrophobicContact CB-CG1 4.42Å; P53-I88 HydrophobicContact CG-CD1 3.97Å; P53-I88 HydrophobicContact CG-CG1 4.42Å; P53-W137 HydrophobicContact CG-CH2 3.94Å; P53-W137 HydrophobicContact CG-CZ2 4.19Å; P53-W137 HydrophobicContact CG-CZ3 4.24Å
54A66.9Low84.1Confident18 Ų1866.9 Ų66.915%0.14937%0.369CS..Hα-helixtrans-64.1-31.2-17000000112.3D52 W137D52-A54 VanDerWaalsContact C-N 3.3Å; D52-A54 PolarHBondContact O-N 3.44Å; A54-W137 HydrophobicContact CB-CB 3.82Å; A54-W137 HydrophobicContact CB-CD2 4.49Å; A54-W137 HydrophobicContact CB-CG 3.68Å
55N68.5Low84.2Confident134 Ų13468.1 Ų68.172%0.71737%0.37SS*.Hα-helixtrans-104.6-22.2-179.1-62.3-50.3000112.9D52 P53D52-N55 PolarHBondContact O-N 2.94Å; D52-N55 PolarHBondContact OD2-ND2 2.95Å; P53-N55 PolarHBondContact O-N 3.38Å
56M69.4Low84.3Confident116 Ų11667.4 Ų67.457%0.57137%0.37SS*.Hα-helixtrans-106.2-24.7-171.3-61176.656.100114.1D52 P53 N58D52-M56 HydrophobicContact CB-CG 4.44Å; D52-M56 HydrophobicContact CB-SD 4.03Å; D52-M56 WeakPolarHBondContact O-CB 3.36Å; D52-M56 VanDerWaalsContact O-CG 3.26Å; D52-M56 WeakPolarHBondContact O-CG 3.39Å; D52-M56 PolarHBondContact O-N 3.25Å; P53-M56 PolarHBondContact O-N 3.16Å; M56-N58 PolarHBondContact O-N 2.95Å
57F78.7Confident84.4Confident20 Ų2066.4 Ų66.49%0.08836%0.362CS..  trans-85.8108.3-175.9-169.1-98.7000111.2P53 W59 I88 A90 L133P53-F57 VanDerWaalsContact O-CB 3.24Å; P53-F57 WeakPolarHBondContact O-CB 3.08Å; P53-F57 PolarHBondContact O-N 2.99Å; F57-W59 HydrophobicContact CD1-CB 4.04Å; F57-W59 HydrophobicContact CD1-CG 4.48Å; F57-W59 HydrophobicContact CE1-CB 3.57Å; F57-W59 AromaticContact CE1-CD1 3.91Å; F57-W59 HydrophobicContact CE1-CD2 4.17Å; F57-W59 AromaticContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CZ-CG 4.33Å; F57-I88 HydrophobicContact CB-CD1 3.94Å; F57-I88 HydrophobicContact CD2-CD1 3.59Å; F57-I88 HydrophobicContact CD2-CG2 4.25Å; F57-I88 HydrophobicContact CE1-CG2 4.24Å; F57-I88 HydrophobicContact CE2-CB 4.44Å; F57-I88 HydrophobicContact CE2-CD1 4.25Å; F57-I88 HydrophobicContact CE2-CG2 3.9Å; F57-I88 HydrophobicContact CG-CD1 3.81Å; F57-I88 HydrophobicContact CZ-CG2 3.9Å; F57-A90 HydrophobicContact CE1-CB 4.18Å; F57-A90 HydrophobicContact CZ-CB 3.76Å; F57-L133 HydrophobicContact CB-CD1 4.3Å; F57-L133 HydrophobicContact CD1-CD1 3.36Å; F57-L133 HydrophobicContact CD1-CG 3.81Å; F57-L133 HydrophobicContact CE1-CD1 3.84Å; F57-L133 HydrophobicContact CE1-CG 4.35Å; F57-L133 HydrophobicContact CG-CD1 3.99Å
58N81.5Confident84.4Confident108 Ų10869.7 Ų69.758%0.57838%0.381SS*.  trans-93.4116.4169.2-175.60.9000109.5M56 T60M56-N58 PolarHBondContact O-N 2.95Å; N58-T60 VanDerWaalsContact CG-OG1 3.24Å; N58-T60 PolarHBondContact ND2-OG1 2.89Å; N58-T60 WeakPolarHBondContact OD1-CB 3.34Å; N58-T60 VanDerWaalsContact OD1-CG2 3.22Å; N58-T60 WeakPolarHBondContact OD1-CG2 3.24Å; N58-T60 PolarHBondContact OD1-N 2.85Å; N58-T60 PolarHBondContact OD1-OG1 2.84Å
59W86.5Confident84.3Confident12 Ų1277.6 Ų77.65%0.04541%0.412CS..  trans-97.213-179.5-155.45.2000113.9F57 E75 T76 V77 A90 M91 K92 Y118 K130 D131 L133F57-W59 HydrophobicContact CD1-CB 4.04Å; F57-W59 HydrophobicContact CD1-CG 4.48Å; F57-W59 HydrophobicContact CE1-CB 3.57Å; F57-W59 AromaticContact CE1-CD1 3.91Å; F57-W59 HydrophobicContact CE1-CD2 4.17Å; F57-W59 AromaticContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CE1-CG 3.58Å; F57-W59 HydrophobicContact CZ-CG 4.33Å; W59-E75 HydrophobicContact CH2-CB 4.05Å; W59-E75 HydrophobicContact CZ2-CB 4.16Å; W59-T76 WeakPolarHBondContact CZ2-O 3.48Å; W59-V77 HydrophobicContact CH2-CB 3.59Å; W59-V77 HydrophobicContact CH2-CG1 3.81Å; W59-V77 HydrophobicContact CZ2-CB 4.09Å; W59-V77 HydrophobicContact CZ3-CB 3.91Å; W59-V77 HydrophobicContact CZ3-CG1 3.77Å; W59-A90 HydrophobicContact CD2-CB 4.36Å; W59-A90 HydrophobicContact CZ2-CB 3.86Å; W59-M91 WeakPolarHBondContact CZ2-O 3.29Å; W59-K92 HydrophobicContact CZ2-CG 4.29Å; W59-K92 WeakPolarHBondContact O-CE 3.23Å; W59-Y118 HydrophobicContact CH2-CD1 4.23Å; W59-Y118 HydrophobicContact CH2-CE1 4.46Å; W59-Y118 HydrophobicContact CZ3-CD1 4.02Å; W59-Y118 HydrophobicContact CZ3-CE1 4.19Å; W59-K130 HydrophobicContact CE3-CB 4.25Å; W59-K130 HydrophobicContact CE3-CG 4.48Å; W59-K130 HydrophobicContact CZ3-CB 4.35Å; W59-D131 PolarHBondContact N-O 3.18Å; W59-L133 HydrophobicContact CE3-CD2 3.62Å; W59-L133 HydrophobicContact CZ3-CD2 3.86Å
60T83.1Confident84.1Confident84 Ų8478.4 Ų78.452%0.51543%0.431SS..  trans-63.8137.9169.857.40000110.5N58 D131N58-T60 VanDerWaalsContact CG-OG1 3.24Å; N58-T60 PolarHBondContact ND2-OG1 2.89Å; N58-T60 WeakPolarHBondContact OD1-CB 3.34Å; N58-T60 VanDerWaalsContact OD1-CG2 3.22Å; N58-T60 WeakPolarHBondContact OD1-CG2 3.24Å; N58-T60 PolarHBondContact OD1-N 2.85Å; N58-T60 PolarHBondContact OD1-OG1 2.84Å; T60-D131 HydrophobicContact CG2-CB 3.91Å
61T83.7Confident84.5Confident38 Ų3876.8 Ų76.823%0.23343%0.426CS..  trans-122143.6168.7-174.90000110.7Q42 K43 E63 K92Q42-T61 HydrophobicContact CB-CG2 3.57Å; Q42-T61 HydrophobicContact CG-CG2 4.12Å; K43-T61 VanDerWaalsContact O-CB 3.29Å; K43-T61 WeakPolarHBondContact O-CB 3.02Å; K43-T61 VanDerWaalsContact O-CG2 3.23Å; K43-T61 WeakPolarHBondContact O-CG2 3.39Å; K43-T61 PolarHBondContact O-OG1 3.16Å; T61-E63 PolarHBondContact OG1-N 2.99Å; T61-K92 HydrophobicContact CG2-CD 4.15Å
62E82.7Confident85.3Confident197 Ų19773.9 Ų73.992%0.92140%0.401SS*.  trans-88.9-17.7174.5-60.6-174.3171.900111.8
63E93.3Very high86.6Confident122 Ų12271.2 Ų71.257%0.5739%0.387SS*.EExtended strand (participates in β ladder)trans-83.5140.8-177.4-65.5-175.2-168.900111.7K43 T61K43-E63 HydrophobicContact CB-CB 4.06Å; K43-E63 PolarHBondContact N-O 2.81Å; T61-E63 PolarHBondContact OG1-N 2.99Å
64V96.1Very high87.9Confident76 Ų7671.5 Ų71.546%0.46139%0.388SS..EExtended strand (participates in β ladder)trans-128.2141.6176.5172.90000107.7Y40 C41 F126Y40-V64 HydrophobicContact CD1-CG1 4.19Å; C41-V64 WeakPolarHBondContact O-CA 3.21Å; V64-F126 HydrophobicContact CB-CE1 4.28Å; V64-F126 HydrophobicContact CG1-CD1 4.43Å; V64-F126 HydrophobicContact CG1-CE1 3.52Å; V64-F126 HydrophobicContact CG1-CZ 4.21Å; V64-F126 HydrophobicContact CG2-CD1 4.29Å; V64-F126 HydrophobicContact CG2-CE1 3.7Å
65E96.6Very high89.4Confident46 Ų4670.7 Ų70.722%0.21538%0.381CS..EExtended strand (participates in β ladder)trans-124.4149.9169.861.4-178.7178.800112.3Y40 C41 K43 G93 C94Y40-E65 WeakPolarHBondContact CA-O 3.13Å; C41-E65 PolarHBondContact N-O 3.13Å; C41-E65 PolarHBondContact O-N 3.02Å; K43-E65 HydrophobicContact CB-CB 4.36Å; K43-E65 HydrophobicContact CB-CG 3.99Å; K43-E65 HydrophobicContact CD-CB 4.21Å; K43-E65 HydrophobicContact CD-CG 4.34Å; K43-E65 WeakPolarHBondContact CD-OE2 3.35Å; K43-E65 WeakPolarHBondContact CE-OE2 3.29Å; K43-E65 HydrophobicContact CG-CG 4.25Å; K43-E65 IonicContact NZ-OE2 2.7Å; K43-E65 PolarHBondContact NZ-OE2 2.85Å; E65-G93 WeakPolarHBondContact OE1-CA 3.43Å; E65-C94 VanDerWaalsContact CG-SG 3.56Å; E65-C94 PolarHBondContact OE1-N 2.02Å
66T97Very high90.7Very high75 Ų7564.3 Ų64.346%0.4635%0.347SS..EExtended strand (participates in β ladder)trans-88.3130.1173-600000109.1E38 Y40E38-T66 HydrophobicContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact CG-CG2 3.48Å; E38-T66 VanDerWaalsContact OE1-CG2 3.3Å; E38-T66 WeakPolarHBondContact OE1-CG2 3.08Å; Y40-T66 WeakPolarHBondContact CE1-OG1 2.99Å
67C96.5Very high92Very high13 Ų1358.8 Ų58.89%0.08832%0.32CS..PPolyproline II helixtrans-94.4153.4-177.1-50.30000113.5L39 C41 A71 C94L39-C67 HydrophobicContact CB-CB 4.11Å; L39-C67 HydrophobicContact CD2-CB 4.17Å; L39-C67 HydrophobicContact CG-CB 4.28Å; L39-C67 PolarHBondContact O-N 2.56Å; C41-C67 PolarHBondContact SG-SG 2.86Å; C67-A71 HydrophobicContact CB-CB 3.79Å; C67-C94 WeakPolarHBondContact CA-SG 3.21Å; C67-C94 HydrophobicContact CB-CB 3.76Å; C67-C94 WeakPolarHBondContact CB-SG 3.22Å; C67-C94 WeakPolarHBondContact SG-CB 3.33Å; C67-C94 CovalentContact SG-SG 2.03Å; C67-C94 PolarHBondContact SG-SG 2.91Å
68D94.6Very high92.9Very high140 Ų14057.8 Ų57.875%0.74932%0.316SS*.PPolyproline II helixtrans-63.2158.1168.9-70.6-35.3000111.4G70 A71D68-G70 PolarHBondContact O-N 3.46Å; D68-A71 WeakPolarHBondContact O-CB 3.29Å; D68-A71 PolarHBondContact O-N 2.9Å; D68-A71 VanDerWaalsContact O-N 3.16Å
69K91.8Very high93.5Very high204 Ų20452.8 Ų52.889%0.88729%0.289SS*.THydrogen-bonded Turntrans-61.8129179.4-68.6-176.5179.6-179.50111.1A71K69-A71 VanDerWaalsContact C-N 3.3Å
70G89.8Confident94Very high70 Ų7052.3 Ų52.372%0.72229%0.287SS*.THydrogen-bonded Turntrans83.91.5179.200000114.3D68D68-G70 PolarHBondContact O-N 3.46Å
71A95.8Very high94.5Very high13 Ų1350 Ų5011%0.10727%0.27CS..  trans-72.8165169.600000111.7L39 C67 D68 K69 I95L39-A71 WeakPolarHBondContact CD2-O 3.23Å; C67-A71 HydrophobicContact CB-CB 3.79Å; D68-A71 WeakPolarHBondContact O-CB 3.29Å; D68-A71 PolarHBondContact O-N 2.9Å; D68-A71 VanDerWaalsContact O-N 3.16Å; K69-A71 VanDerWaalsContact C-N 3.3Å; A71-I95 CarbonylContact C-O 3.54Å; A71-I95 WeakPolarHBondContact CA-O 3.41Å; A71-I95 VanDerWaalsContact CB-O 3.24Å; A71-I95 WeakPolarHBondContact CB-O 3.39Å
72L97.1Very high95.1Very high8 Ų848.3 Ų48.34%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-117.3167.4171-60.892.9000110.1C94 I95 E123L72-C94 CarbonylContact O-C 3.52Å; L72-C94 WeakPolarHBondContact O-CA 3.41Å; L72-I95 HydrophobicContact CB-CG2 3.79Å; L72-I95 PolarHBondContact N-O 3.11Å; L72-I95 PolarHBondContact O-N 2.78Å; L72-E123 HydrophobicContact CD2-CG 3.53Å; L72-E123 HydrophobicContact CG-CG 4.04Å
73C98.1Very high95.5Very high0 Ų040.7 Ų40.70%023%0.234CC..EExtended strand (participates in β ladder)trans-85146.2161.3-59.40000110.3C41 Y121 C122 C127 N128C41-C73 VanDerWaalsContact CA-SG 3.52Å; C41-C73 HydrophobicContact CB-CB 3.79Å; C41-C73 WeakPolarHBondContact CB-SG 3.49Å; C41-C73 WeakPolarHBondContact SG-CA 3.32Å; C41-C73 WeakPolarHBondContact SG-CB 3.22Å; C41-C73 CovalentContact SG-SG 2.02Å; C41-C73 PolarHBondContact SG-SG 3.32Å; C73-Y121 WeakPolarHBondContact O-CA 3.25Å; C73-C122 PolarHBondContact N-O 2.75Å; C73-C122 PolarHBondContact O-N 2.84Å; C73-C127 VanDerWaalsContact CB-SG 3.58Å; C73-N128 HydrophobicContact CB-CB 3.94Å
74Q98.1Very high95.3Very high7 Ų740.2 Ų40.23%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-131.8148.6167.772.679.830.200112T76 K92 G93 I95 N120 Y121 N128 P215Q74-T76 PolarHBondContact OE1-OG1 2.83Å; Q74-K92 VanDerWaalsContact O-CA 3.29Å; Q74-K92 WeakPolarHBondContact O-CA 3.3Å; Q74-G93 PolarHBondContact N-O 3.08Å; Q74-G93 PolarHBondContact O-N 2.83Å; Q74-I95 HydrophobicContact CB-CB 4.41Å; Q74-I95 HydrophobicContact CB-CG2 4.18Å; Q74-I95 HydrophobicContact CG-CB 4.11Å; Q74-I95 HydrophobicContact CG-CG2 4.42Å; Q74-N120 CarbonylContact C-O 3.53Å; Q74-N120 VanDerWaalsContact CA-O 3.23Å; Q74-N120 WeakPolarHBondContact CA-O 3.27Å; Q74-Y121 HydrophobicContact CB-CD1 3.76Å; Q74-Y121 HydrophobicContact CB-CE1 3.67Å; Q74-Y121 HydrophobicContact CB-CG 4.28Å; Q74-Y121 HydrophobicContact CG-CE1 4.48Å; Q74-N128 PolarHBondContact O-ND2 2.92Å; Q74-P215 HydrophobicContact CG-CG 4.41Å
75E97.5Very high95.2Very high1 Ų140.7 Ų40.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-133.9128.1160.555.1-173.417800109.6W59 M91 K92 Y118 S119 N120 N128 D129 K130W59-E75 HydrophobicContact CH2-CB 4.05Å; W59-E75 HydrophobicContact CZ2-CB 4.16Å; E75-M91 CarbonylContact C-O 3.47Å; E75-M91 VanDerWaalsContact CA-O 3.3Å; E75-M91 WeakPolarHBondContact CA-O 3.46Å; E75-K92 HydrophobicContact CB-CD 4.26Å; E75-K92 HydrophobicContact CB-CG 3.85Å; E75-K92 WeakPolarHBondContact OE2-CE 2.96Å; E75-K92 IonicContact OE2-NZ 2.91Å; E75-K92 PolarHBondContact OE2-NZ 3.3Å; E75-Y118 HydrophobicContact CG-CE1 4.06Å; E75-Y118 PolarHBondContact OE1-OH 3.44Å; E75-S119 CarbonylContact O-C 3.54Å; E75-S119 WeakPolarHBondContact O-CA 3.32Å; E75-N120 HydrophobicContact CG-CB 3.81Å; E75-N120 PolarHBondContact N-O 2.98Å; E75-N120 PolarHBondContact O-N 2.84Å; E75-N120 PolarHBondContact OE1-ND2 2.69Å; E75-N128 HydrophobicContact CB-CB 3.98Å; E75-N128 HydrophobicContact CG-CB 3.94Å; E75-D129 PolarHBondContact OE2-N 2.87Å; E75-K130 VanDerWaalsContact OE2-CB 3.22Å; E75-K130 WeakPolarHBondContact OE2-CB 3.18Å; E75-K130 PolarHBondContact OE2-N 3.05Å
76T97.4Very high95Very high0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-137.7135.5-174.6-540000110.3W59 Q74 A90 M91 Y118 S119 V213 P215 M216W59-T76 WeakPolarHBondContact CZ2-O 3.48Å; Q74-T76 PolarHBondContact OE1-OG1 2.83Å; T76-A90 CarbonylContact O-C 3.54Å; T76-A90 WeakPolarHBondContact O-CA 3.34Å; T76-M91 PolarHBondContact N-O 2.95Å; T76-M91 PolarHBondContact O-N 2.89Å; T76-Y118 CarbonylContact C-O 3.49Å; T76-Y118 VanDerWaalsContact CA-O 3.29Å; T76-Y118 WeakPolarHBondContact CA-O 3.28Å; T76-Y118 WeakPolarHBondContact CG2-O 3.43Å; T76-S119 PolarHBondContact OG1-OG 2.81Å; T76-V213 HydrophobicContact CG2-CG1 3.95Å; T76-P215 WeakPolarHBondContact OG1-CD 3.19Å; T76-M216 HydrophobicContact CG2-CE 3.44Å; T76-M216 VanDerWaalsContact CG2-CE 3.44Å
77V96.2Very high95Very high0 Ų034.9 Ų34.90%021%0.205CC..EExtended strand (participates in β ladder)trans-133.4137.9174.563.20000111.3W59 M79 I88 L89 A90 S117 Y118 L133W59-V77 HydrophobicContact CH2-CB 3.59Å; W59-V77 HydrophobicContact CH2-CG1 3.81Å; W59-V77 HydrophobicContact CZ2-CB 4.09Å; W59-V77 HydrophobicContact CZ3-CB 3.91Å; W59-V77 HydrophobicContact CZ3-CG1 3.77Å; V77-M79 HydrophobicContact CG2-CG 4.01Å; V77-I88 HydrophobicContact CG2-CG2 3.74Å; V77-L89 CarbonylContact C-O 3.56Å; V77-L89 VanDerWaalsContact CA-O 3.24Å; V77-L89 WeakPolarHBondContact CA-O 3.31Å; V77-A90 HydrophobicContact CB-CB 4.21Å; V77-A90 HydrophobicContact CG2-CB 3.94Å; V77-S117 CarbonylContact O-C 3.55Å; V77-S117 WeakPolarHBondContact O-CA 3.25Å; V77-S117 WeakPolarHBondContact O-CB 2.98Å; V77-Y118 HydrophobicContact CG1-CD1 4.1Å; V77-Y118 HydrophobicContact CG1-CG 4.45Å; V77-Y118 PolarHBondContact N-O 2.9Å; V77-Y118 PolarHBondContact O-N 2.76Å; V77-L133 HydrophobicContact CB-CD2 4.39Å; V77-L133 HydrophobicContact CG1-CD2 3.82Å; V77-L133 HydrophobicContact CG2-CD1 4.12Å; V77-L133 HydrophobicContact CG2-CD2 4.24Å
78L96.8Very high94.9Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-118123.7168.8177.364.5000108.9I80 L89 V115 I184 M207 M216 V218L78-I80 HydrophobicContact CD2-CD1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.21Å; L78-I80 HydrophobicContact CG-CG1 4.27Å; L78-L89 HydrophobicContact CB-CB 4.47Å; L78-L89 PolarHBondContact N-O 2.9Å; L78-L89 PolarHBondContact O-N 2.83Å; L78-V115 HydrophobicContact CD1-CG1 3.74Å; L78-I184 HydrophobicContact CD2-CD1 4Å; L78-M207 HydrophobicContact CD1-CE 3.97Å; L78-M207 HydrophobicContact CD1-SD 4.43Å; L78-M207 HydrophobicContact CD2-CE 4.43Å; L78-M216 HydrophobicContact CB-CE 4.02Å; L78-V218 HydrophobicContact CD2-CG2 4.15Å
79M95.3Very high95Very high3 Ų327.6 Ų27.62%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-116130.8179.2-63.3171.4-77.900110.2V77 T86 A87 V115 I116 L133 F136 W137V77-M79 HydrophobicContact CG2-CG 4.01Å; M79-T86 HydrophobicContact CB-CG2 4.29Å; M79-A87 CarbonylContact C-O 3.59Å; M79-A87 WeakPolarHBondContact CA-O 3.32Å; M79-V115 VanDerWaalsContact O-CA 3.31Å; M79-V115 WeakPolarHBondContact O-CA 3.39Å; M79-I116 HydrophobicContact CE-CB 4.15Å; M79-I116 HydrophobicContact CE-CG2 3.97Å; M79-I116 PolarHBondContact N-O 2.75Å; M79-I116 PolarHBondContact O-N 3.46Å; M79-L133 HydrophobicContact CG-CD1 4.45Å; M79-L133 HydrophobicContact SD-CB 4.3Å; M79-L133 HydrophobicContact SD-CD1 3.91Å; M79-F136 HydrophobicContact CE-CB 3.79Å; M79-F136 HydrophobicContact CE-CD2 4.42Å; M79-F136 HydrophobicContact CE-CG 4.44Å; M79-W137 HydrophobicContact SD-CE3 4.48Å
80I96.1Very high95.2Very high1 Ų117.9 Ų17.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-130.6108.2-177.2-59.5148.8000108.6L78 T86 A87 L89 V115 V157 L182 V193 V195L78-I80 HydrophobicContact CD2-CD1 4.14Å; L78-I80 HydrophobicContact CG-CD1 4.21Å; L78-I80 HydrophobicContact CG-CG1 4.27Å; I80-T86 CarbonylContact O-C 3.3Å; I80-T86 VanDerWaalsContact O-CA 3.27Å; I80-T86 WeakPolarHBondContact O-CA 3.29Å; I80-A87 HydrophobicContact CB-CB 4.44Å; I80-A87 PolarHBondContact N-O 3.43Å; I80-A87 PolarHBondContact O-N 2.82Å; I80-L89 HydrophobicContact CD1-CD1 4.21Å; I80-V115 HydrophobicContact CB-CG2 4.34Å; I80-V115 HydrophobicContact CG1-CG1 4.01Å; I80-V115 HydrophobicContact CG1-CG2 4.12Å; I80-V115 HydrophobicContact CG2-CG2 4.02Å; I80-V157 HydrophobicContact CB-CG2 4.45Å; I80-V157 HydrophobicContact CG2-CG2 4.04Å; I80-L182 HydrophobicContact CD1-CD1 3.58Å; I80-L182 HydrophobicContact CG1-CD1 4.18Å; I80-V193 HydrophobicContact CD1-CB 4.36Å; I80-V193 HydrophobicContact CD1-CG1 4.04Å; I80-V193 HydrophobicContact CD1-CG2 4.38Å; I80-V195 HydrophobicContact CG2-CG1 4.02Å; I80-V195 HydrophobicContact CG2-CG2 3.65Å
81K94.6Very high95.5Very high37 Ų3714.7 Ų14.716%0.1619%0.089CC..EExtended strand (participates in β ladder)trans-99131.1-179-168-177.6-168.7161.80111.5G83 E85 T86 L113 I114 W137 S140K81-G83 WeakPolarHBondContact CE-O 3.47Å; K81-E85 WeakPolarHBondContact CA-O 3.31Å; K81-T86 HydrophobicContact CB-CG2 4.32Å; K81-L113 WeakPolarHBondContact O-CA 3.39Å; K81-I114 HydrophobicContact CB-CB 4.18Å; K81-I114 HydrophobicContact CD-CD1 4.33Å; K81-I114 PolarHBondContact N-O 2.71Å; K81-I114 PolarHBondContact O-N 2.91Å; K81-W137 HydrophobicContact CB-CH2 4.12Å; K81-W137 HydrophobicContact CD-CH2 3.55Å; K81-W137 HydrophobicContact CD-CZ2 3.76Å; K81-W137 HydrophobicContact CG-CH2 3.99Å; K81-S140 PolarHBondContact NZ-OG 3.4Å
82A95.2Very high95.6Very high2 Ų214.4 Ų14.42%0.0179%0.085CC..EExtended strand (participates in β ladder)trans-133.9112.416900000110T84 E85 L113 T155 C156 V157A82-T84 PolarHBondContact O-N 3.48Å; A82-E85 PolarHBondContact N-O 3.32Å; A82-E85 PolarHBondContact O-N 2.95Å; A82-L113 HydrophobicContact CB-CD2 3.53Å; A82-T155 HydrophobicContact CB-CG2 4.17Å; A82-C156 WeakPolarHBondContact CB-O 3.06Å; A82-V157 HydrophobicContact CB-CB 3.86Å; A82-V157 HydrophobicContact CB-CG1 4.1Å
83G91.4Very high95.6Very high37 Ų3714.2 Ų14.238%0.3819%0.085SC..THydrogen-bonded Turntrans64-119.9-175.100000111.3K81K81-G83 WeakPolarHBondContact CE-O 3.47Å
84T90.2Very high95.6Very high112 Ų11216 Ų1669%0.68710%0.097SC*.THydrogen-bonded Turntrans-99.13.3-179.856.80000113.5A51 A82A51-T84 CarbonylContact C-O 3.53Å; A51-T84 VanDerWaalsContact CA-O 3.24Å; A51-T84 WeakPolarHBondContact CA-O 3.5Å; A82-T84 PolarHBondContact O-N 3.48Å
85E92.8Very high95.5Very high85 Ų8516.9 Ų16.940%0.39710%0.102SC..EExtended strand (participates in β ladder)trans-114.9150.4-178.5-67.5179.3144.700110.5V49 E50 K81 A82 V157V49-E85 HydrophobicContact CG1-CB 4.14Å; E50-E85 CarbonylContact O-C 3.53Å; K81-E85 WeakPolarHBondContact CA-O 3.31Å; A82-E85 PolarHBondContact N-O 3.32Å; A82-E85 PolarHBondContact O-N 2.95Å; E85-V157 HydrophobicContact CB-CG1 3.63Å; E85-V157 WeakPolarHBondContact O-CG1 3.21Å
86T93.6Very high95.4Very high0 Ų022 Ų220%014%0.135CC..EExtended strand (participates in β ladder)trans-138.4119.1-179.1-44.50000110.4V49 E50 P53 M79 I80 K81 I88 W137V49-T86 CarbonylContact C-O 3.58Å; V49-T86 VanDerWaalsContact CA-O 3.31Å; V49-T86 WeakPolarHBondContact CA-O 3.44Å; E50-T86 PolarHBondContact N-O 3.41Å; E50-T86 PolarHBondContact O-N 3.44Å; P53-T86 HydrophobicContact CG-CG2 3.69Å; P53-T86 WeakPolarHBondContact CG-OG1 3.21Å; M79-T86 HydrophobicContact CB-CG2 4.29Å; I80-T86 CarbonylContact O-C 3.3Å; I80-T86 VanDerWaalsContact O-CA 3.27Å; I80-T86 WeakPolarHBondContact O-CA 3.29Å; K81-T86 HydrophobicContact CB-CG2 4.32Å; T86-I88 HydrophobicContact CG2-CG1 4.38Å; T86-W137 HydrophobicContact CG2-CH2 3.75Å; T86-W137 HydrophobicContact CG2-CZ3 3.91Å; T86-W137 WeakPolarHBondContact OG1-CH2 3.44Å
87A95.9Very high95.1Very high0 Ų028.1 Ų28.10%017%0.167CC..EExtended strand (participates in β ladder)trans-77.5134.6165.500000110T48 V49 M79 I80 V157 V193T48-A87 CarbonylContact O-C 3.6Å; T48-A87 WeakPolarHBondContact O-CA 3.23Å; V49-A87 HydrophobicContact CG2-CB 4.26Å; M79-A87 CarbonylContact C-O 3.59Å; M79-A87 WeakPolarHBondContact CA-O 3.32Å; I80-A87 HydrophobicContact CB-CB 4.44Å; I80-A87 PolarHBondContact N-O 3.43Å; I80-A87 PolarHBondContact O-N 2.82Å; A87-V157 HydrophobicContact CB-CG2 3.5Å; A87-V193 HydrophobicContact CB-CG1 4.06Å
88I95.1Very high94.9Very high0 Ų029.3 Ų29.30%018%0.18CC..EExtended strand (participates in β ladder)trans-122.8123.6178.1-52.4171.2000107.3M47 T48 E50 P53 F57 V77 T86 A90 L133M47-I88 WeakPolarHBondContact CA-O 3.26Å; T48-I88 PolarHBondContact N-O 2.94Å; T48-I88 PolarHBondContact O-N 2.86Å; E50-I88 HydrophobicContact CB-CD1 4.23Å; E50-I88 HydrophobicContact CG-CD1 3.87Å; P53-I88 HydrophobicContact CB-CD1 3.63Å; P53-I88 HydrophobicContact CB-CG1 4.42Å; P53-I88 HydrophobicContact CG-CD1 3.97Å; P53-I88 HydrophobicContact CG-CG1 4.42Å; F57-I88 HydrophobicContact CB-CD1 3.94Å; F57-I88 HydrophobicContact CD2-CD1 3.59Å; F57-I88 HydrophobicContact CD2-CG2 4.25Å; F57-I88 HydrophobicContact CE1-CG2 4.24Å; F57-I88 HydrophobicContact CE2-CB 4.44Å; F57-I88 HydrophobicContact CE2-CD1 4.25Å; F57-I88 HydrophobicContact CE2-CG2 3.9Å; F57-I88 HydrophobicContact CG-CD1 3.81Å; F57-I88 HydrophobicContact CZ-CG2 3.9Å; V77-I88 HydrophobicContact CG2-CG2 3.74Å; T86-I88 HydrophobicContact CG2-CG1 4.38Å; I88-A90 HydrophobicContact CG2-CB 4.26Å; I88-L133 HydrophobicContact CD1-CD1 4.49Å; I88-L133 HydrophobicContact CG2-CD1 4.11Å
89L96.4Very high94.7Very high0 Ų036.9 Ų36.90%022%0.216CC..EExtended strand (participates in β ladder)trans-118.7109.4171.7-64.696.2000107.2M47 V77 L78 I80 I184 I189 V193M47-L89 HydrophobicContact CG-CD2 4.26Å; M47-L89 HydrophobicContact CG-CG 4.33Å; M47-L89 HydrophobicContact SD-CD2 4.34Å; V77-L89 CarbonylContact C-O 3.56Å; V77-L89 VanDerWaalsContact CA-O 3.24Å; V77-L89 WeakPolarHBondContact CA-O 3.31Å; L78-L89 HydrophobicContact CB-CB 4.47Å; L78-L89 PolarHBondContact N-O 2.9Å; L78-L89 PolarHBondContact O-N 2.83Å; I80-L89 HydrophobicContact CD1-CD1 4.21Å; L89-I184 HydrophobicContact CD1-CD1 4.07Å; L89-I184 HydrophobicContact CD2-CD1 3.55Å; L89-I184 HydrophobicContact CD2-CG2 4.39Å; L89-I184 HydrophobicContact CG-CD1 4.43Å; L89-I189 HydrophobicContact CB-CD1 3.97Å; L89-I189 HydrophobicContact CD2-CD1 4.24Å; L89-I189 HydrophobicContact CD2-CG2 3.98Å; L89-V193 HydrophobicContact CD1-CG2 3.96Å; L89-V193 HydrophobicContact CD2-CG2 4.4Å
90A95.4Very high94.8Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-129.3139.9-170.800000110.5S46 F57 W59 T76 V77 I88S46-A90 PolarHBondContact N-O 2.95Å; S46-A90 PolarHBondContact O-N 2.84Å; F57-A90 HydrophobicContact CE1-CB 4.18Å; F57-A90 HydrophobicContact CZ-CB 3.76Å; W59-A90 HydrophobicContact CD2-CB 4.36Å; W59-A90 HydrophobicContact CZ2-CB 3.86Å; T76-A90 CarbonylContact O-C 3.54Å; T76-A90 WeakPolarHBondContact O-CA 3.34Å; V77-A90 HydrophobicContact CB-CB 4.21Å; V77-A90 HydrophobicContact CG2-CB 3.94Å; I88-A90 HydrophobicContact CG2-CB 4.26Å
91M96.1Very high94.9Very high2 Ų244.6 Ų44.61%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-146.8151.6-17962172.770.400112.3G44 L45 W59 E75 T76 G187 I189 P215 M216G44-M91 CarbonylContact O-C 3.48Å; G44-M91 VanDerWaalsContact O-CA 3.24Å; G44-M91 WeakPolarHBondContact O-CA 3.36Å; L45-M91 HydrophobicContact CD1-CB 3.88Å; W59-M91 WeakPolarHBondContact CZ2-O 3.29Å; E75-M91 CarbonylContact C-O 3.47Å; E75-M91 VanDerWaalsContact CA-O 3.3Å; E75-M91 WeakPolarHBondContact CA-O 3.46Å; T76-M91 PolarHBondContact N-O 2.95Å; T76-M91 PolarHBondContact O-N 2.89Å; M91-G187 WeakPolarHBondContact CE-O 3.27Å; M91-I189 HydrophobicContact CE-CB 4.25Å; M91-I189 HydrophobicContact CE-CD1 3.36Å; M91-I189 HydrophobicContact CE-CG1 3.58Å; M91-P215 HydrophobicContact CE-CG 4.41Å; M91-P215 HydrophobicContact SD-CG 3.23Å; M91-P215 WeakPolarHBondContact SD-CG 3.35Å; M91-M216 HydrophobicContact CE-CE 4.37Å; M91-M216 HydrophobicContact CE-CG 3.3Å; M91-M216 HydrophobicContact CE-SD 3.81Å; M91-M216 HydrophobicContact SD-CG 4.35Å
92K97.9Very high95Very high8 Ų848.2 Ų48.24%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-138.3145.2171.1-55.3-164.1175.7-150.60109.6Q42 K43 G44 W59 T61 Q74 E75 N128 K130Q42-K92 HydrophobicContact CB-CB 4.43Å; Q42-K92 HydrophobicContact CB-CD 3.9Å; Q42-K92 CarbonylContact O-C 3.55Å; Q42-K92 VanDerWaalsContact O-C 3.31Å; Q42-K92 VanDerWaalsContact O-CB 3.25Å; Q42-K92 WeakPolarHBondContact O-CB 3.48Å; K43-K92 WeakPolarHBondContact CA-O 3.24Å; G44-K92 PolarHBondContact N-O 2.97Å; G44-K92 PolarHBondContact O-N 2.01Å; W59-K92 HydrophobicContact CZ2-CG 4.29Å; W59-K92 WeakPolarHBondContact O-CE 3.23Å; T61-K92 HydrophobicContact CG2-CD 4.15Å; Q74-K92 VanDerWaalsContact O-CA 3.29Å; Q74-K92 WeakPolarHBondContact O-CA 3.3Å; E75-K92 HydrophobicContact CB-CD 4.26Å; E75-K92 HydrophobicContact CB-CG 3.85Å; E75-K92 WeakPolarHBondContact OE2-CE 2.96Å; E75-K92 IonicContact OE2-NZ 2.91Å; E75-K92 PolarHBondContact OE2-NZ 3.3Å; K92-N128 WeakPolarHBondContact CD-O 3.29Å; K92-N128 PolarHBondContact NZ-O 2.92Å; K92-K130 WeakPolarHBondContact CE-O 3.05Å; K92-K130 VanDerWaalsContact NZ-N 3.2Å; K92-K130 PolarHBondContact NZ-O 3.22Å
93G97.3Very high95.1Very high4 Ų451.3 Ų51.34%0.04130%0.298CS..EExtended strand (participates in β ladder)trans166.3-170.6172.500000113.7Q42 E65 Q74Q42-G93 WeakPolarHBondContact O-CA 3.29Å; Q42-G93 PolarHBondContact O-N 3.02Å; Q42-G93 VanDerWaalsContact O-N 3.13Å; E65-G93 WeakPolarHBondContact OE1-CA 3.43Å; Q74-G93 PolarHBondContact N-O 3.08Å; Q74-G93 PolarHBondContact O-N 2.83Å
94C97.4Very high95.3Very high37 Ų3753.9 Ų53.925%0.2530%0.302CS..EExtended strand (participates in β ladder)trans-74.6146171.7-55.40000111E65 C67 L72E65-C94 VanDerWaalsContact CG-SG 3.56Å; E65-C94 PolarHBondContact OE1-N 2.02Å; C67-C94 WeakPolarHBondContact CA-SG 3.21Å; C67-C94 HydrophobicContact CB-CB 3.76Å; C67-C94 WeakPolarHBondContact CB-SG 3.22Å; C67-C94 WeakPolarHBondContact SG-CB 3.33Å; C67-C94 CovalentContact SG-SG 2.03Å; C67-C94 PolarHBondContact SG-SG 2.91Å; L72-C94 CarbonylContact O-C 3.52Å; L72-C94 WeakPolarHBondContact O-CA 3.41Å
95I96.9Very high95.5Very high26 Ų2650 Ų5013%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-130.1131.9171.7-16877.4000108.8A71 L72 Q74 D97 Y121 P215A71-I95 CarbonylContact C-O 3.54Å; A71-I95 WeakPolarHBondContact CA-O 3.41Å; A71-I95 VanDerWaalsContact CB-O 3.24Å; A71-I95 WeakPolarHBondContact CB-O 3.39Å; L72-I95 HydrophobicContact CB-CG2 3.79Å; L72-I95 PolarHBondContact N-O 3.11Å; L72-I95 PolarHBondContact O-N 2.78Å; Q74-I95 HydrophobicContact CB-CB 4.41Å; Q74-I95 HydrophobicContact CB-CG2 4.18Å; Q74-I95 HydrophobicContact CG-CB 4.11Å; Q74-I95 HydrophobicContact CG-CG2 4.42Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 WeakPolarHBondContact CG1-O 3.44Å; I95-D97 PolarHBondContact O-N 3.3Å; I95-Y121 HydrophobicContact CB-CE2 4.38Å; I95-Y121 HydrophobicContact CG1-CE2 3.87Å; I95-Y121 HydrophobicContact CG2-CD2 3.91Å; I95-Y121 HydrophobicContact CG2-CE2 3.81Å; I95-P215 HydrophobicContact CD1-CB 3.71Å
96P94.7Very high95.6Very high107 Ų10750 Ų5070%0.69528%0.278SS*.SBendtrans-72.8-22.1-17128.4-36.2000114.2
97D91.9Very high95.7Very high129 Ų12950.1 Ų50.169%0.6928%0.279SS*.SBendtrans-153.2156-176.4-167.211.1000109.4I95I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 WeakPolarHBondContact CG1-O 3.44Å; I95-D97 PolarHBondContact O-N 3.3Å
98G91.3Very high95.6Very high26 Ų2650.1 Ų50.127%0.26828%0.279SS..  trans148.7171.5-175.600000111.8
99E94.4Very high95.4Very high159 Ų15953.4 Ų53.474%0.74330%0.3SS*.  trans-111.5142.8175.4-63.1-71.9164.600108.5A101 Y121E99-A101 PolarHBondContact O-N 3.24Å; E99-Y121 WeakPolarHBondContact O-CB 3.46Å
100E97Very high95.1Very high121 Ų12156.5 Ų56.557%0.56531%0.314SS*.SBendtrans-59113.6172.9-178.2175.2-153.200109.8Y121E100-Y121 WeakPolarHBondContact CA-O 3.37Å; E100-Y121 WeakPolarHBondContact CG-O 3.44Å
101A97.4Very high94.8Very high45 Ų4557.7 Ų57.737%0.37232%0.322SS..EExtended strand (participates in β ladder)trans-163.3143.1-175.800000111.9E99 N120 Y121E99-A101 PolarHBondContact O-N 3.24Å; A101-N120 WeakPolarHBondContact O-CA 3.49Å; A101-Y121 PolarHBondContact N-O 2.85Å; A101-Y121 VanDerWaalsContact N-O 3.08Å; A101-Y121 PolarHBondContact O-N 3Å
102I96.9Very high94.7Very high112 Ų11258.4 Ų58.457%0.57433%0.33SS*.EExtended strand (participates in β ladder)trans-103.7122.2165.7-62.7172.1000108.4Y118 S119 N120I102-Y118 HydrophobicContact CG2-CD2 4.21Å; I102-Y118 HydrophobicContact CG2-CE2 3.64Å; I102-S119 CarbonylContact C-O 3.43Å; I102-S119 WeakPolarHBondContact CA-O 3.27Å; I102-N120 HydrophobicContact CG1-CB 4.16Å; I102-N120 WeakPolarHBondContact CG1-OD1 3.41Å
103T96.5Very high94.6Very high68 Ų6858.1 Ų58.142%0.41733%0.329SS..EExtended strand (participates in β ladder)trans-121.2122.9179.3-56.80000110.1V105 Y118 S119T103-V105 HydrophobicContact CG2-CG2 3.79Å; T103-Y118 CarbonylContact O-C 3.56Å; T103-Y118 WeakPolarHBondContact O-CA 3.48Å; T103-S119 PolarHBondContact N-O 3.06Å; T103-S119 PolarHBondContact O-N 3.41Å
104I95.3Very high94.5Very high91 Ų9158.1 Ų58.147%0.46733%0.328SS..EExtended strand (participates in β ladder)trans-119.4129.3172.3-61.3160.4000107.7S117 Y118 F136I104-S117 WeakPolarHBondContact CA-O 3.22Å; I104-Y118 HydrophobicContact CD1-CD2 4.42Å; I104-Y118 HydrophobicContact CG1-CD2 3.78Å; I104-F136 HydrophobicContact CD1-CD1 4.27Å; I104-F136 HydrophobicContact CD1-CE1 3.68Å; I104-F136 HydrophobicContact CG1-CD1 4.48Å; I104-F136 HydrophobicContact CG1-CE1 3.99Å
105V95.6Very high94.4Very high31 Ų3156.4 Ų56.419%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-131123.8-178.5-171.50000110T103 H107 I116 S117 I210T103-V105 HydrophobicContact CG2-CG2 3.79Å; V105-H107 PolarHBondContact O-N 2.9Å; V105-I116 CarbonylContact O-C 3.6Å; V105-I116 VanDerWaalsContact O-CA 3.27Å; V105-I116 WeakPolarHBondContact O-CA 3.42Å; V105-S117 PolarHBondContact N-O 3Å; V105-S117 PolarHBondContact O-N 2.93Å; V105-I210 HydrophobicContact CG1-CD1 3.59Å
106Q94.3Very high94.3Very high85 Ų8555.4 Ų55.440%0.39731%0.311SS..EExtended strand (participates in β ladder)trans-91.194.6164.5-172.2174.536.500108.5P109 V115 I116Q106-P109 HydrophobicContact CG-CB 4.16Å; Q106-V115 CarbonylContact C-O 3.58Å; Q106-I116 HydrophobicContact CG-CG1 4.26Å
107H95.9Very high94.4Very high1 Ų150.5 Ų50.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-70.7-41.1-177.4-62.8-88.9000112.4V105 V115 S117 L206 M207 S208V105-H107 PolarHBondContact O-N 2.9Å; H107-V115 HydrophobicContact CB-CB 3.99Å; H107-V115 HydrophobicContact CB-CG1 3.93Å; H107-V115 PolarHBondContact N-O 3.05Å; H107-S117 WeakPolarHBondContact NE2-CB 3.41Å; H107-S117 PolarHBondContact NE2-OG 3.34Å; H107-L206 CarbonylContact C-O 3.5Å; H107-M207 VanDerWaalsContact CE1-CE 3.49Å; H107-M207 WeakPolarHBondContact CE1-CE 3.37Å; H107-M207 PolarHBondContact ND1-O 3.29Å; H107-S208 WeakPolarHBondContact O-CB 3.29Å; H107-S208 PolarHBondContact O-OG 3.46Å
108S94.5Very high94.6Very high0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-133.8116.1173.5-78.80000109I114 V115 L206S108-I114 WeakPolarHBondContact O-CA 3.3Å; S108-V115 PolarHBondContact N-O 2.89Å; S108-V115 PolarHBondContact O-N 2.81Å; S108-L206 WeakPolarHBondContact OG-CA 3.38Å; S108-L206 PolarHBondContact OG-O 3.01Å
109P91.1Very high94.9Very high69 Ų6944 Ų4445%0.44824%0.238SC..PPolyproline II helixtrans-81.5163179.733.2-35.1000112.2Q106Q106-P109 HydrophobicContact CG-CB 4.16Å
110H88.8Confident95.1Very high65 Ų6537.2 Ų37.230%0.30121%0.207SC..SBendtrans-54.4144.7165.7-174.590.3000110.3I114H110-I114 HydrophobicContact CB-CD1 4.07Å; H110-I114 HydrophobicContact CB-CG1 4.33Å
111P90.4Very high95.1Very high25 Ų2533 Ų3316%0.16219%0.186CC..SBendcis-95.2155.58.936.2-35000115.6P171 N172 T174P111-P171 HydrophobicContact CB-CB 4.06Å; P111-P171 HydrophobicContact CB-CG 3.93Å; P111-N172 WeakPolarHBondContact CB-O 3.47Å; P111-N172 WeakPolarHBondContact CG-O 3.38Å; P111-T174 HydrophobicContact CB-CG2 4.12Å; P111-T174 HydrophobicContact CG-CG2 3.94Å; P111-T174 VanDerWaalsContact O-CG2 3.3Å; P111-T174 WeakPolarHBondContact O-CG2 3.35Å
112G93.1Very high95.1Very high18 Ų1831.1 Ų31.119%0.18617%0.171CC..SBendtrans99.9-125.6176.400000112.4C198G112-C198 CarbonylContact C-O 3.5Å; G112-C198 VanDerWaalsContact CA-O 3.28Å; G112-C198 WeakPolarHBondContact CA-O 3.36Å
113L95.8Very high95.1Very high1 Ų131.4 Ų31.41%0.00517%0.17CC..SBendtrans-67132.9171.7-65.9177.7000110.3K81 A82 Y178 V195 C198 L206K81-L113 WeakPolarHBondContact O-CA 3.39Å; A82-L113 HydrophobicContact CB-CD2 3.53Å; L113-Y178 HydrophobicContact CD1-CD1 3.38Å; L113-Y178 HydrophobicContact CD1-CE1 4.24Å; L113-Y178 HydrophobicContact CD1-CG 3.73Å; L113-V195 HydrophobicContact CD1-CG1 3.92Å; L113-V195 HydrophobicContact CD2-CG1 3.7Å; L113-V195 HydrophobicContact CG-CG1 4.43Å; L113-C198 PolarHBondContact N-O 2.9Å; L113-L206 HydrophobicContact CB-CD1 3.82Å; L113-L206 HydrophobicContact CD1-CD1 3.77Å; L113-L206 HydrophobicContact CG-CD1 4.44Å
114I94.5Very high95.1Very high5 Ų534 Ų343%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-122.6132.5177.7-61.5165.1000108K81 S108 H110 I116K81-I114 HydrophobicContact CB-CB 4.18Å; K81-I114 HydrophobicContact CD-CD1 4.33Å; K81-I114 PolarHBondContact N-O 2.71Å; K81-I114 PolarHBondContact O-N 2.91Å; S108-I114 WeakPolarHBondContact O-CA 3.3Å; H110-I114 HydrophobicContact CB-CD1 4.07Å; H110-I114 HydrophobicContact CB-CG1 4.33Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å
115V95.9Very high95.1Very high0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-133.5124.8174.7-176.90000109.6L78 M79 I80 Q106 H107 S108 L206 M207L78-V115 HydrophobicContact CD1-CG1 3.74Å; M79-V115 VanDerWaalsContact O-CA 3.31Å; M79-V115 WeakPolarHBondContact O-CA 3.39Å; I80-V115 HydrophobicContact CB-CG2 4.34Å; I80-V115 HydrophobicContact CG1-CG1 4.01Å; I80-V115 HydrophobicContact CG1-CG2 4.12Å; I80-V115 HydrophobicContact CG2-CG2 4.02Å; Q106-V115 CarbonylContact C-O 3.58Å; H107-V115 HydrophobicContact CB-CB 3.99Å; H107-V115 HydrophobicContact CB-CG1 3.93Å; H107-V115 PolarHBondContact N-O 3.05Å; S108-V115 PolarHBondContact N-O 2.89Å; S108-V115 PolarHBondContact O-N 2.81Å; V115-L206 HydrophobicContact CG2-CD1 3.88Å; V115-L206 HydrophobicContact CG2-CD2 3.98Å; V115-L206 HydrophobicContact CG2-CG 3.68Å; V115-M207 HydrophobicContact CG1-SD 3.75Å
116I95.1Very high95.1Very high5 Ų534.8 Ų34.83%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-134.4140.2-177.5-60.9172.4000108.5M79 V105 Q106 I114 F136 F139M79-I116 HydrophobicContact CE-CB 4.15Å; M79-I116 HydrophobicContact CE-CG2 3.97Å; M79-I116 PolarHBondContact N-O 2.75Å; M79-I116 PolarHBondContact O-N 3.46Å; V105-I116 CarbonylContact O-C 3.6Å; V105-I116 VanDerWaalsContact O-CA 3.27Å; V105-I116 WeakPolarHBondContact O-CA 3.42Å; Q106-I116 HydrophobicContact CG-CG1 4.26Å; I114-I116 HydrophobicContact CG2-CD1 3.96Å; I114-I116 HydrophobicContact CG2-CG1 4.02Å; I116-F136 WeakPolarHBondContact CD1-O 3.12Å; I116-F139 HydrophobicContact CD1-CB 3.94Å; I116-F139 HydrophobicContact CD1-CD2 4.2Å; I116-F139 HydrophobicContact CD1-CG 4.49Å
117S96.5Very high95.3Very high4 Ų432 Ų323%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-125.3151.316972.20000112.5V77 I104 V105 H107V77-S117 CarbonylContact O-C 3.55Å; V77-S117 WeakPolarHBondContact O-CA 3.25Å; V77-S117 WeakPolarHBondContact O-CB 2.98Å; I104-S117 WeakPolarHBondContact CA-O 3.22Å; V105-S117 PolarHBondContact N-O 3Å; V105-S117 PolarHBondContact O-N 2.93Å; H107-S117 WeakPolarHBondContact NE2-CB 3.41Å; H107-S117 PolarHBondContact NE2-OG 3.34Å
118Y96.4Very high95.4Very high10 Ų1032 Ų324%0.03917%0.174CC..EExtended strand (participates in β ladder)trans-129.3140.5167.3162-97.6000109W59 E75 T76 V77 I102 T103 I104 N120 F136W59-Y118 HydrophobicContact CH2-CD1 4.23Å; W59-Y118 HydrophobicContact CH2-CE1 4.46Å; W59-Y118 HydrophobicContact CZ3-CD1 4.02Å; W59-Y118 HydrophobicContact CZ3-CE1 4.19Å; E75-Y118 HydrophobicContact CG-CE1 4.06Å; E75-Y118 PolarHBondContact OE1-OH 3.44Å; T76-Y118 CarbonylContact C-O 3.49Å; T76-Y118 VanDerWaalsContact CA-O 3.29Å; T76-Y118 WeakPolarHBondContact CA-O 3.28Å; T76-Y118 WeakPolarHBondContact CG2-O 3.43Å; V77-Y118 HydrophobicContact CG1-CD1 4.1Å; V77-Y118 HydrophobicContact CG1-CG 4.45Å; V77-Y118 PolarHBondContact N-O 2.9Å; V77-Y118 PolarHBondContact O-N 2.76Å; I102-Y118 HydrophobicContact CG2-CD2 4.21Å; I102-Y118 HydrophobicContact CG2-CE2 3.64Å; T103-Y118 CarbonylContact O-C 3.56Å; T103-Y118 WeakPolarHBondContact O-CA 3.48Å; I104-Y118 HydrophobicContact CD1-CD2 4.42Å; I104-Y118 HydrophobicContact CG1-CD2 3.78Å; Y118-N120 HydrophobicContact CE1-CB 4.05Å; Y118-N120 HydrophobicContact CE2-CB 4.22Å; Y118-N120 VanDerWaalsContact OH-CB 3.25Å; Y118-N120 WeakPolarHBondContact OH-CB 3.44Å; Y118-F136 HydrophobicContact CD1-CE2 4.11Å; Y118-F136 HydrophobicContact CD1-CZ 4.11Å; Y118-F136 AromaticContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE2 4.11Å; Y118-F136 AromaticContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CE1-CZ 4.43Å; Y118-F136 HydrophobicContact CE2-CE1 4.36Å; Y118-F136 AromaticContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CG-CE1 4.18Å; Y118-F136 AromaticContact CG-CE2 3.81Å; Y118-F136 HydrophobicContact CG-CE2 3.81Å; Y118-F136 AromaticContact CG-CZ 3.52Å; Y118-F136 HydrophobicContact CG-CZ 3.52Å
119S97.6Very high95.4Very high8 Ų836.9 Ų36.96%0.05620%0.2CC..EExtended strand (participates in β ladder)trans-142.9130.7175.8-173.70000108.3E75 T76 I102 T103 Y121 G214E75-S119 CarbonylContact O-C 3.54Å; E75-S119 WeakPolarHBondContact O-CA 3.32Å; T76-S119 PolarHBondContact OG1-OG 2.81Å; I102-S119 CarbonylContact C-O 3.43Å; I102-S119 WeakPolarHBondContact CA-O 3.27Å; T103-S119 PolarHBondContact N-O 3.06Å; T103-S119 PolarHBondContact O-N 3.41Å; S119-Y121 VanDerWaalsContact OG-CE1 3.31Å; S119-Y121 WeakPolarHBondContact OG-CE1 3.34Å; S119-G214 VanDerWaalsContact OG-CA 3.27Å; S119-G214 WeakPolarHBondContact OG-CA 3.26Å
120N97.8Very high95.5Very high17 Ų1735.7 Ų35.79%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-128.5121.2174.8173.130.5000108.8Q74 E75 A101 I102 Y118Q74-N120 CarbonylContact C-O 3.53Å; Q74-N120 VanDerWaalsContact CA-O 3.23Å; Q74-N120 WeakPolarHBondContact CA-O 3.27Å; E75-N120 HydrophobicContact CG-CB 3.81Å; E75-N120 PolarHBondContact N-O 2.98Å; E75-N120 PolarHBondContact O-N 2.84Å; E75-N120 PolarHBondContact OE1-ND2 2.69Å; A101-N120 WeakPolarHBondContact O-CA 3.49Å; I102-N120 HydrophobicContact CG1-CB 4.16Å; I102-N120 WeakPolarHBondContact CG1-OD1 3.41Å; Y118-N120 HydrophobicContact CE1-CB 4.05Å; Y118-N120 HydrophobicContact CE2-CB 4.22Å; Y118-N120 VanDerWaalsContact OH-CB 3.25Å; Y118-N120 WeakPolarHBondContact OH-CB 3.44Å
121Y98.4Very high95.6Very high32 Ų3237 Ų3713%0.12520%0.198CC..EExtended strand (participates in β ladder)trans-112127.1174.6-79.742.6000106.6C73 Q74 I95 E99 E100 A101 S119 G214 P215C73-Y121 WeakPolarHBondContact O-CA 3.25Å; Q74-Y121 HydrophobicContact CB-CD1 3.76Å; Q74-Y121 HydrophobicContact CB-CE1 3.67Å; Q74-Y121 HydrophobicContact CB-CG 4.28Å; Q74-Y121 HydrophobicContact CG-CE1 4.48Å; I95-Y121 HydrophobicContact CB-CE2 4.38Å; I95-Y121 HydrophobicContact CG1-CE2 3.87Å; I95-Y121 HydrophobicContact CG2-CD2 3.91Å; I95-Y121 HydrophobicContact CG2-CE2 3.81Å; E99-Y121 WeakPolarHBondContact O-CB 3.46Å; E100-Y121 WeakPolarHBondContact CA-O 3.37Å; E100-Y121 WeakPolarHBondContact CG-O 3.44Å; A101-Y121 PolarHBondContact N-O 2.85Å; A101-Y121 VanDerWaalsContact N-O 3.08Å; A101-Y121 PolarHBondContact O-N 3Å; S119-Y121 VanDerWaalsContact OG-CE1 3.31Å; S119-Y121 WeakPolarHBondContact OG-CE1 3.34Å; Y121-G214 VanDerWaalsContact OH-C 3.28Å; Y121-P215 WeakPolarHBondContact OH-CD 2.98Å
122C97.8Very high95.3Very high7 Ų737.6 Ų37.65%0.04720%0.202CC..EExtended strand (participates in β ladder)trans-150.1152.9-17257.40000111.8C73 C127C73-C122 PolarHBondContact N-O 2.75Å; C73-C122 PolarHBondContact O-N 2.84Å; C122-C127 HydrophobicContact CB-CB 3.78Å; C122-C127 WeakPolarHBondContact CB-SG 3.24Å; C122-C127 PolarHBondContact O-SG 2.7Å; C122-C127 WeakPolarHBondContact SG-CB 3.49Å; C122-C127 CovalentContact SG-SG 2.01Å; C122-C127 PolarHBondContact SG-SG 2.96Å
123E95.8Very high94.8Very high118 Ų11836.8 Ų36.855%0.55119%0.194SC*.  trans-103.4-12.3-167.1-63.7-174.4176.300114.5L39 L72L39-E123 WeakPolarHBondContact CD1-O 2.96Å; L72-E123 HydrophobicContact CD2-CG 3.53Å; L72-E123 HydrophobicContact CG-CG 4.04Å
124D95.7Very high94Very high121 Ų12139.2 Ų39.265%0.64721%0.21SC*.SBendtrans-83.5148.6-179.7-74.1-39.4000112F126 C127D124-F126 PolarHBondContact O-N 3.28Å; D124-C127 HydrophobicContact CB-CB 4.02Å; D124-C127 VanDerWaalsContact O-CB 3.29Å; D124-C127 WeakPolarHBondContact O-CB 3.01Å; D124-C127 PolarHBondContact O-N 2.78Å; D124-C127 PolarHBondContact O-SG 3.06Å
125S96.3Very high93.2Very high47 Ų4744.6 Ų44.633%0.32924%0.235SC..THydrogen-bonded Turntrans-61.5132.3175.3-67.80000111.2Y40 C127Y40-S125 PolarHBondContact N-OG 2.82Å; Y40-S125 CarbonylContact O-C 3.54Å; Y40-S125 VanDerWaalsContact O-CA 3.27Å; Y40-S125 WeakPolarHBondContact O-CA 3.03Å; S125-C127 PolarHBondContact O-N 3.08Å
126F96.5Very high92.2Very high92 Ų9245 Ų4540%0.40424%0.237SC..THydrogen-bonded Turntrans6415.8-178.9-47.4-79.2000115.1Y40 V64 D124 N128 D129Y40-F126 VanDerWaalsContact CB-CZ 3.48Å; Y40-F126 HydrophobicContact CG-CE2 4.47Å; Y40-F126 HydrophobicContact CG-CZ 4.05Å; Y40-F126 PolarHBondContact O-N 2.7Å; V64-F126 HydrophobicContact CB-CE1 4.28Å; V64-F126 HydrophobicContact CG1-CD1 4.43Å; V64-F126 HydrophobicContact CG1-CE1 3.52Å; V64-F126 HydrophobicContact CG1-CZ 4.21Å; V64-F126 HydrophobicContact CG2-CD1 4.29Å; V64-F126 HydrophobicContact CG2-CE1 3.7Å; D124-F126 PolarHBondContact O-N 3.28Å; F126-N128 PolarHBondContact O-N 2.03Å; F126-D129 WeakPolarHBondContact O-CB 3.37Å
127C97.1Very high90.9Very high27 Ų2746 Ų4618%0.18224%0.241CC..  trans-67.1-18.3-178.3640000114.6C73 C122 D124 S125 D129C73-C127 VanDerWaalsContact CB-SG 3.58Å; C122-C127 HydrophobicContact CB-CB 3.78Å; C122-C127 WeakPolarHBondContact CB-SG 3.24Å; C122-C127 PolarHBondContact O-SG 2.7Å; C122-C127 WeakPolarHBondContact SG-CB 3.49Å; C122-C127 CovalentContact SG-SG 2.01Å; C122-C127 PolarHBondContact SG-SG 2.96Å; D124-C127 HydrophobicContact CB-CB 4.02Å; D124-C127 VanDerWaalsContact O-CB 3.29Å; D124-C127 WeakPolarHBondContact O-CB 3.01Å; D124-C127 PolarHBondContact O-N 2.78Å; D124-C127 PolarHBondContact O-SG 3.06Å; S125-C127 PolarHBondContact O-N 3.08Å; C127-D129 PolarHBondContact O-N 3.28Å; C127-D129 VanDerWaalsContact O-N 3.11Å
128N97.4Very high89.2Confident0 Ų053.3 Ų53.30%027%0.274CS..  trans-86.362.7177.765.7-32.3000110.6Q42 C73 Q74 E75 K92 F126Q42-N128 WeakPolarHBondContact CB-OD1 3.47Å; Q42-N128 VanDerWaalsContact CD-O 3.31Å; Q42-N128 PolarHBondContact N-OD1 2.71Å; Q42-N128 PolarHBondContact O-ND2 2.82Å; Q42-N128 PolarHBondContact OE1-O 2.83Å; Q42-N128 VanDerWaalsContact OE1-O 3.08Å; C73-N128 HydrophobicContact CB-CB 3.94Å; Q74-N128 PolarHBondContact O-ND2 2.92Å; E75-N128 HydrophobicContact CB-CB 3.98Å; E75-N128 HydrophobicContact CG-CB 3.94Å; K92-N128 WeakPolarHBondContact CD-O 3.29Å; K92-N128 PolarHBondContact NZ-O 2.92Å; F126-N128 PolarHBondContact O-N 2.03Å
129D95.4Very high87.3Confident104 Ų10457.7 Ų57.756%0.55629%0.294SS*.  trans-109.211.3-165.569.6-10000115.9E75 F126 C127 D131E75-D129 PolarHBondContact OE2-N 2.87Å; F126-D129 WeakPolarHBondContact O-CB 3.37Å; C127-D129 PolarHBondContact O-N 3.28Å; C127-D129 VanDerWaalsContact O-N 3.11Å; D129-D131 PolarHBondContact O-N 2.86Å
130K93.8Very high85.2Confident43 Ų4358 Ų5819%0.18730%0.296CS..  trans-56.9130.8179.7-154.380.1176.3-171.10111.9W59 E75 K92W59-K130 HydrophobicContact CE3-CB 4.25Å; W59-K130 HydrophobicContact CE3-CG 4.48Å; W59-K130 HydrophobicContact CZ3-CB 4.35Å; E75-K130 VanDerWaalsContact OE2-CB 3.22Å; E75-K130 WeakPolarHBondContact OE2-CB 3.18Å; E75-K130 PolarHBondContact OE2-N 3.05Å; K92-K130 WeakPolarHBondContact CE-O 3.05Å; K92-K130 VanDerWaalsContact NZ-N 3.2Å; K92-K130 PolarHBondContact NZ-O 3.22Å
131D89.8Confident83.3Confident94 Ų9465 Ų6550%0.50333%0.328SS..  trans-110.1-23.7-177.260.8-5.5000113.5W59 T60 D129W59-D131 PolarHBondContact N-O 3.18Å; T60-D131 HydrophobicContact CG2-CB 3.91Å; D129-D131 PolarHBondContact O-N 2.86Å
132S84.6Confident81.2Confident36 Ų3667.8 Ų67.825%0.25235%0.348SS..  trans-130.3145.2-173.1-175.50000113.3S134S132-S134 WeakPolarHBondContact OG-CB 3.39Å; S132-S134 PolarHBondContact OG-N 2.88Å; S132-S134 PolarHBondContact OG-OG 3.32Å
133L82.3Confident78.9Confident2 Ų273.8 Ų73.81%0.0139%0.385CS..  trans-99.80.4174.8-58.3-178.5000113.7F57 W59 V77 M79 I88 Q135 F136F57-L133 HydrophobicContact CB-CD1 4.3Å; F57-L133 HydrophobicContact CD1-CD1 3.36Å; F57-L133 HydrophobicContact CD1-CG 3.81Å; F57-L133 HydrophobicContact CE1-CD1 3.84Å; F57-L133 HydrophobicContact CE1-CG 4.35Å; F57-L133 HydrophobicContact CG-CD1 3.99Å; W59-L133 HydrophobicContact CE3-CD2 3.62Å; W59-L133 HydrophobicContact CZ3-CD2 3.86Å; V77-L133 HydrophobicContact CB-CD2 4.39Å; V77-L133 HydrophobicContact CG1-CD2 3.82Å; V77-L133 HydrophobicContact CG2-CD1 4.12Å; V77-L133 HydrophobicContact CG2-CD2 4.24Å; M79-L133 HydrophobicContact CG-CD1 4.45Å; M79-L133 HydrophobicContact SD-CB 4.3Å; M79-L133 HydrophobicContact SD-CD1 3.91Å; I88-L133 HydrophobicContact CD1-CD1 4.49Å; I88-L133 HydrophobicContact CG2-CD1 4.11Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.83Å; L133-F136 HydrophobicContact CD2-CD2 4.23Å; L133-F136 HydrophobicContact CD2-CE2 4.42Å; L133-F136 PolarHBondContact O-N 3.33Å
134S78.6Confident76.7Confident51 Ų5172.7 Ų72.736%0.35740%0.396SS..G310 helixtrans-52.4-42.9-173.8510000113.7S132 F136 W137S132-S134 WeakPolarHBondContact OG-CB 3.39Å; S132-S134 PolarHBondContact OG-N 2.88Å; S132-S134 PolarHBondContact OG-OG 3.32Å; S134-F136 PolarHBondContact O-N 3.37Å; S134-F136 VanDerWaalsContact O-N 3.11Å; S134-W137 PolarHBondContact O-N 3.04Å
135Q77.7Confident74.5Confident118 Ų11870.6 Ų70.655%0.55139%0.391SS*.G310 helixtrans-60.4-23.1-179.8-63.5173.35.900113.7L133L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.83Å
136F75.4Confident72.2Confident8 Ų874.9 Ų74.94%0.03542%0.415CS..G310 helixtrans-97.5-6.5-179.5-47.9-57.1000112.5M79 I104 I116 Y118 L133 S134 F139M79-F136 HydrophobicContact CE-CB 3.79Å; M79-F136 HydrophobicContact CE-CD2 4.42Å; M79-F136 HydrophobicContact CE-CG 4.44Å; I104-F136 HydrophobicContact CD1-CD1 4.27Å; I104-F136 HydrophobicContact CD1-CE1 3.68Å; I104-F136 HydrophobicContact CG1-CD1 4.48Å; I104-F136 HydrophobicContact CG1-CE1 3.99Å; I116-F136 WeakPolarHBondContact CD1-O 3.12Å; Y118-F136 HydrophobicContact CD1-CE2 4.11Å; Y118-F136 HydrophobicContact CD1-CZ 4.11Å; Y118-F136 AromaticContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE1 3.78Å; Y118-F136 HydrophobicContact CD2-CE2 4.11Å; Y118-F136 AromaticContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CD2-CZ 3.33Å; Y118-F136 HydrophobicContact CE1-CZ 4.43Å; Y118-F136 HydrophobicContact CE2-CE1 4.36Å; Y118-F136 AromaticContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CE2-CZ 3.72Å; Y118-F136 HydrophobicContact CG-CE1 4.18Å; Y118-F136 AromaticContact CG-CE2 3.81Å; Y118-F136 HydrophobicContact CG-CE2 3.81Å; Y118-F136 AromaticContact CG-CZ 3.52Å; Y118-F136 HydrophobicContact CG-CZ 3.52Å; L133-F136 HydrophobicContact CD2-CD2 4.23Å; L133-F136 HydrophobicContact CD2-CE2 4.42Å; L133-F136 PolarHBondContact O-N 3.33Å; S134-F136 PolarHBondContact O-N 3.37Å; S134-F136 VanDerWaalsContact O-N 3.11Å; F136-F139 WeakPolarHBondContact O-CD2 3.25Å
137W67.8Low70.2Confident27 Ų2777 Ų7710%0.10243%0.428CS..THydrogen-bonded Turntrans-94.1-17.2-175.8-159.5-113000113.9P53 A54 M79 K81 T86 S134 F139 S140P53-W137 HydrophobicContact CG-CH2 3.94Å; P53-W137 HydrophobicContact CG-CZ2 4.19Å; P53-W137 HydrophobicContact CG-CZ3 4.24Å; A54-W137 HydrophobicContact CB-CB 3.82Å; A54-W137 HydrophobicContact CB-CD2 4.49Å; A54-W137 HydrophobicContact CB-CG 3.68Å; M79-W137 HydrophobicContact SD-CE3 4.48Å; K81-W137 HydrophobicContact CB-CH2 4.12Å; K81-W137 HydrophobicContact CD-CH2 3.55Å; K81-W137 HydrophobicContact CD-CZ2 3.76Å; K81-W137 HydrophobicContact CG-CH2 3.99Å; T86-W137 HydrophobicContact CG2-CH2 3.75Å; T86-W137 HydrophobicContact CG2-CZ3 3.91Å; T86-W137 WeakPolarHBondContact OG1-CH2 3.44Å; S134-W137 PolarHBondContact O-N 3.04Å; W137-F139 PolarHBondContact O-N 2.04Å; W137-S140 WeakPolarHBondContact O-CB 3.33Å; W137-S140 PolarHBondContact O-N 3.26Å
138E62.1Low68.2Low158 Ų15881 Ų8174%0.73846%0.456SS*.G310 helixtrans-56.4-23.2175.4-67.1-173.1175.300112.5S140E138-S140 PolarHBondContact O-N 3.45Å
139F54.8Low66.4Low102 Ų10282.5 Ų82.545%0.44747%0.465SS..G310 helixtrans-71.4-8.6175-58-66.3000114.8I116 F136 W137I116-F139 HydrophobicContact CD1-CB 3.94Å; I116-F139 HydrophobicContact CD1-CD2 4.2Å; I116-F139 HydrophobicContact CD1-CG 4.49Å; F136-F139 WeakPolarHBondContact O-CD2 3.25Å; W137-F139 PolarHBondContact O-N 2.04Å
140S54.8Low65.8Low13 Ų1383.7 Ų83.79%0.09148%0.477CS..G310 helixtrans-86.2-17.3179.5-178.70000113.9K81 W137 E138K81-S140 PolarHBondContact NZ-OG 3.4Å; W137-S140 WeakPolarHBondContact O-CB 3.33Å; W137-S140 PolarHBondContact O-N 3.26Å; E138-S140 PolarHBondContact O-N 3.45Å
141E57.6Low65.7Low165 Ų16584 Ų8477%0.77148%0.48SS*.  trans-102.9104.5-174.3-65.9-165.3179.700110.6
142T55Low66Low90 Ų9084.2 Ų84.255%0.55248%0.478SS*.  trans-132.2130.7158.5-51.30000108A144T142-A144 PolarHBondContact O-N 2.99Å
143T48.9Very low66.5Low134 Ų13482.5 Ų82.582%0.82247%0.466SS*.  trans-51.9123.8-177.433.20000111S145T143-S145 PolarHBondContact O-N 2.79Å
144A49.6Very low67.3Low95 Ų9584.3 Ų84.379%0.78548%0.478SS*.  trans-57.3112.8176.900000110T142T142-A144 PolarHBondContact O-N 2.99Å
145S50.2Low68.2Low76 Ų7682.6 Ų82.653%0.53147%0.465SS..  trans-67.4136.5170.7177.50000109.9T143 M147T143-S145 PolarHBondContact O-N 2.79Å; S145-M147 PolarHBondContact O-N 3.03Å
146T47Very low69.2Low138 Ų13877.2 Ų77.285%0.84744%0.44SS*.SBendtrans-74.120.4-168.446.20000115.8
147M54.9Low70.2Confident137 Ų13777 Ų7768%0.67544%0.44SS*.PPolyproline II helixtrans-97.4120.2174.5-77-86.7105.800110.6S145 T149 N172S145-M147 PolarHBondContact O-N 3.03Å; M147-T149 PolarHBondContact O-N 2.77Å; M147-N172 WeakPolarHBondContact O-CB 3.31Å
148S53.8Low71.7Confident110 Ų11076.5 Ų76.577%0.76944%0.442SS*.PPolyproline II helixtrans-75.3118.9-173.8-176.50000111.5
149T60.4Low73.4Confident31 Ų3172 Ų7219%0.1942%0.422CS..PPolyproline II helixtrans-93.4140160.477.30000108.2M147 L169 C170M147-T149 PolarHBondContact O-N 2.77Å; T149-L169 WeakPolarHBondContact O-CD1 3.48Å; T149-C170 PolarHBondContact OG1-O 2.87Å
150T82.2Confident75.3Confident130 Ų13068.5 Ų68.580%0.79842%0.415SS*.  trans-88.210.5172.952.30000112.5H152T150-H152 PolarHBondContact O-CD2 2.91Å; T150-H152 PolarHBondContact O-N 3.01Å
151L92.1Very high77.4Confident49 Ų4972.1 Ų72.126%0.25744%0.436SS..  trans-76.4126-176.8-177.266.1000109.3C170L151-C170 HydrophobicContact CB-CB 4.12Å; L151-C170 HydrophobicContact CD2-CB 4.23Å; L151-C170 HydrophobicContact CG-CB 4.23Å; L151-C170 VanDerWaalsContact O-CB 3.31Å; L151-C170 WeakPolarHBondContact O-CB 3.35Å; L151-C170 PolarHBondContact O-N 2.9Å; L151-C170 PolarHBondContact O-SG 2.94Å
152H95.5Very high79.2Confident99 Ų9965.1 Ų65.146%0.45841%0.406SS..EExtended strand (participates in β ladder)trans-117.1137.1169.4-68.5-104.9000109.9T150 S167 L168 L169T150-H152 PolarHBondContact O-CD2 2.91Å; T150-H152 PolarHBondContact O-N 3.01Å; H152-S167 WeakPolarHBondContact CB-OG 3.49Å; H152-L168 CarbonylContact C-O 3.47Å; H152-L168 WeakPolarHBondContact CA-O 3.22Å; H152-L169 PolarHBondContact ND1-N 3.24Å; H152-L169 WeakPolarHBondContact NE2-CD1 3.24Å
153C96.5Very high81.2Confident0 Ų070 Ų700%042%0.419CS..EExtended strand (participates in β ladder)trans-130.7140.5179.8-66.10000111.7T155 S167 L168 C170 C177C153-T155 PolarHBondContact O-N 2.8Å; C153-T155 PolarHBondContact O-OG1 3.05Å; C153-T155 VanDerWaalsContact O-OG1 3.05Å; C153-S167 WeakPolarHBondContact O-CA 3.2Å; C153-L168 PolarHBondContact N-O 2.91Å; C153-L168 PolarHBondContact O-N 2.86Å; C153-C170 PolarHBondContact SG-SG 2.9Å; C153-C177 WeakPolarHBondContact CA-SG 3.45Å; C153-C177 HydrophobicContact CB-CB 3.73Å; C153-C177 WeakPolarHBondContact CB-SG 3.45Å; C153-C177 WeakPolarHBondContact SG-CA 3.31Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.21Å
154P97.9Very high83.4Confident40 Ų4069.1 Ų69.126%0.2641%0.41SS..EExtended strand (participates in β ladder)trans-52.3126163.5-22.333000109.1A165 P166 K196 G197P154-A165 HydrophobicContact CB-CB 3.9Å; P154-P166 WeakPolarHBondContact CA-O 2.99Å; P154-K196 HydrophobicContact CB-CD 4.3Å; P154-K196 CarbonylContact O-C 3.56Å; P154-K196 VanDerWaalsContact O-C 3.3Å; P154-K196 VanDerWaalsContact O-CB 3.26Å; P154-K196 WeakPolarHBondContact O-CB 3.47Å; P154-G197 WeakPolarHBondContact O-CA 3.34Å; P154-G197 PolarHBondContact O-N 3.01Å; P154-G197 VanDerWaalsContact O-N 3.17Å
155T97.9Very high85.7Confident14 Ų1466.1 Ų66.19%0.08639%0.385CS..  trans-124.6125.1-176.5-56.50000110A82 C153 P166 L168 K196A82-T155 HydrophobicContact CB-CG2 4.17Å; C153-T155 PolarHBondContact O-N 2.8Å; C153-T155 PolarHBondContact O-OG1 3.05Å; C153-T155 VanDerWaalsContact O-OG1 3.05Å; T155-P166 PolarHBondContact N-O 2.89Å; T155-P166 WeakPolarHBondContact O-CD 3.49Å; T155-L168 HydrophobicContact CG2-CD1 3.96Å; T155-K196 VanDerWaalsContact CA-O 3.32Å; T155-K196 WeakPolarHBondContact CA-O 3.47Å
156C98Very high87.9Confident5 Ų566.2 Ų66.23%0.03438%0.384CS..EExtended strand (participates in β ladder)trans-167.1155.1173.966.60000110.3A82 C162 N164 A165 K196A82-C156 WeakPolarHBondContact CB-O 3.06Å; C156-C162 HydrophobicContact CB-CB 3.67Å; C156-C162 WeakPolarHBondContact CB-SG 3.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 CovalentContact SG-SG 2.03Å; C156-C162 PolarHBondContact SG-SG 3.29Å; C156-N164 WeakPolarHBondContact CB-O 3.44Å; C156-A165 HydrophobicContact CB-CB 4.06Å; C156-K196 PolarHBondContact N-O 3Å; C156-K196 PolarHBondContact O-N 2.91Å; C156-K196 VanDerWaalsContact O-O 3.14Å
157V98.1Very high90.3Very high4 Ų463.2 Ų63.22%0.02437%0.368CS..EExtended strand (participates in β ladder)trans-135.8134.1161.659.50000108.3V49 I80 A82 E85 A87 V193 E194 V195V49-V157 HydrophobicContact CG1-CG1 4.26Å; I80-V157 HydrophobicContact CB-CG2 4.45Å; I80-V157 HydrophobicContact CG2-CG2 4.04Å; A82-V157 HydrophobicContact CB-CB 3.86Å; A82-V157 HydrophobicContact CB-CG1 4.1Å; E85-V157 HydrophobicContact CB-CG1 3.63Å; E85-V157 WeakPolarHBondContact O-CG1 3.21Å; A87-V157 HydrophobicContact CB-CG2 3.5Å; V157-V193 HydrophobicContact CG2-CG1 3.82Å; V157-E194 WeakPolarHBondContact CA-O 3.41Å; V157-V195 HydrophobicContact CG2-CG2 4.33Å
158A97.8Very high92.2Very high17 Ų1760.2 Ų60.214%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-150.4143-178.800000112G160 C162 V193 E194A158-G160 PolarHBondContact O-N 2.83Å; A158-C162 HydrophobicContact CB-CB 4.48Å; A158-V193 CarbonylContact O-C 3.52Å; A158-V193 WeakPolarHBondContact O-CA 2.99Å; A158-E194 PolarHBondContact N-O 2.69Å; A158-E194 PolarHBondContact O-N 3.14Å
159L97.6Very high94.1Very high63 Ų6359.9 Ų59.933%0.3334%0.344SS..EExtended strand (participates in β ladder)trans-66.6123.6160.5-57.3176.3000108.2M47 V49 T161 V193M47-L159 HydrophobicContact CB-CD1 3.88Å; M47-L159 HydrophobicContact CB-CD2 4.4Å; M47-L159 WeakPolarHBondContact O-CD1 3.32Å; V49-L159 HydrophobicContact CG2-CG 4Å; L159-T161 PolarHBondContact O-N 2.9Å; L159-V193 HydrophobicContact CD2-CG2 4.16Å
160G96.6Very high95.7Very high28 Ų2858.8 Ų58.829%0.28934%0.337SS..SBendtrans80.7-105.6-169.100000112A158 S192 E194A158-G160 PolarHBondContact O-N 2.83Å; G160-S192 WeakPolarHBondContact CA-O 3.44Å; G160-S192 PolarHBondContact N-O 3.28Å; G160-S192 PolarHBondContact O-OG 2.62Å; G160-E194 WeakPolarHBondContact O-CB 3.38Å; G160-E194 PolarHBondContact O-N 2.77Å
161T96.9Very high96.1Very high89 Ų8954.9 Ų54.955%0.54631%0.314SS..SBendtrans-132.1142.9-174.653.80000111.8L159 F163 E194L159-T161 PolarHBondContact O-N 2.9Å; T161-F163 PolarHBondContact O-N 2.88Å; T161-E194 WeakPolarHBondContact CA-OE2 3.47Å; T161-E194 VanDerWaalsContact CB-OE2 3.3Å; T161-E194 WeakPolarHBondContact CB-OE2 3.47Å
162C97.4Very high95.9Very high19 Ų1955.4 Ų55.413%0.12832%0.317CS..  trans-67.1124.3176.7-59.80000110.6C156 A158 E194C156-C162 HydrophobicContact CB-CB 3.67Å; C156-C162 WeakPolarHBondContact CB-SG 3.44Å; C156-C162 WeakPolarHBondContact SG-CB 3.49Å; C156-C162 CovalentContact SG-SG 2.03Å; C156-C162 PolarHBondContact SG-SG 3.29Å; A158-C162 HydrophobicContact CB-CB 4.48Å; C162-E194 PolarHBondContact N-OE2 2.83Å
163F95.9Very high95.4Very high191 Ų19152.7 Ų52.784%0.83832%0.316SS*.SBendtrans-64.8-43172179.7-105000111.4T161T161-F163 PolarHBondContact O-N 2.88Å
164N95.8Very high95.2Very high117 Ų11753 Ų5363%0.62632%0.318SS*.  trans-137.9155.7175.6-76.5-41.2000110.3C156C156-N164 WeakPolarHBondContact CB-O 3.44Å
165A97.4Very high94.9Very high32 Ų3255.7 Ų55.726%0.26433%0.334SS..  trans-142.379.8175.500000110.1P154 C156 K196P154-A165 HydrophobicContact CB-CB 3.9Å; C156-A165 HydrophobicContact CB-CB 4.06Å; A165-K196 HydrophobicContact CB-CD 3.99Å
166P97.1Very high94.7Very high77 Ų7759.5 Ų59.550%0.535%0.347SS..  trans-59.6146.8-179.926-34.8000111.4P154 T155 L168P154-P166 WeakPolarHBondContact CA-O 2.99Å; T155-P166 PolarHBondContact N-O 2.89Å; T155-P166 WeakPolarHBondContact O-CD 3.49Å; P166-L168 HydrophobicContact CB-CD2 4.28Å; P166-L168 HydrophobicContact CG-CD2 4.34Å; P166-L168 PolarHBondContact O-N 3.41Å
167S97.1Very high94.6Very high75 Ų7561.2 Ų61.252%0.52436%0.358SS..EExtended strand (participates in β ladder)trans-83.599.5-179.7-169.30000110.4H152 C153H152-S167 WeakPolarHBondContact CB-OG 3.49Å; C153-S167 WeakPolarHBondContact O-CA 3.2Å
168L94.2Very high94.6Very high74 Ų7461.4 Ų61.439%0.38736%0.359SS..EExtended strand (participates in β ladder)trans-94.8150.9-176.9-56-174000111.4H152 C153 T155 P166H152-L168 CarbonylContact C-O 3.47Å; H152-L168 WeakPolarHBondContact CA-O 3.22Å; C153-L168 PolarHBondContact N-O 2.91Å; C153-L168 PolarHBondContact O-N 2.86Å; T155-L168 HydrophobicContact CG2-CD1 3.96Å; P166-L168 HydrophobicContact CB-CD2 4.28Å; P166-L168 HydrophobicContact CG-CD2 4.34Å; P166-L168 PolarHBondContact O-N 3.41Å
169L94Very high94.5Very high104 Ų10464.9 Ų64.955%0.54537%0.372SS..EExtended strand (participates in β ladder)trans-66.3132.8172.9-174.770.2000109.5T149 H152T149-L169 WeakPolarHBondContact O-CD1 3.48Å; H152-L169 PolarHBondContact ND1-N 3.24Å; H152-L169 WeakPolarHBondContact NE2-CD1 3.24Å
170C93.6Very high94.5Very high7 Ų762.2 Ų62.25%0.04736%0.359CS..PPolyproline II helixtrans-82.8143.5-176.9-68.80000113.4T149 L151 C153 T174 C198T149-C170 PolarHBondContact OG1-O 2.87Å; L151-C170 HydrophobicContact CB-CB 4.12Å; L151-C170 HydrophobicContact CD2-CB 4.23Å; L151-C170 HydrophobicContact CG-CB 4.23Å; L151-C170 VanDerWaalsContact O-CB 3.31Å; L151-C170 WeakPolarHBondContact O-CB 3.35Å; L151-C170 PolarHBondContact O-N 2.9Å; L151-C170 PolarHBondContact O-SG 2.94Å; C153-C170 PolarHBondContact SG-SG 2.9Å; C170-T174 VanDerWaalsContact CB-OG1 3.27Å; C170-T174 WeakPolarHBondContact CB-OG1 3.26Å; C170-C198 WeakPolarHBondContact CA-SG 3.42Å; C170-C198 HydrophobicContact CB-CB 3.62Å; C170-C198 WeakPolarHBondContact CB-SG 3.43Å; C170-C198 WeakPolarHBondContact SG-CB 3.27Å; C170-C198 CovalentContact SG-SG 2.03Å; C170-C198 PolarHBondContact SG-SG 3.17Å
171P90.6Very high94.6Very high48 Ų4864.2 Ų64.231%0.31236%0.36SS..PPolyproline II helixtrans-65.8151.7173.127.2-32.5000111P111 T174P111-P171 HydrophobicContact CB-CB 4.06Å; P111-P171 HydrophobicContact CB-CG 3.93Å; P171-T174 HydrophobicContact CG-CG2 3.91Å; P171-T174 PolarHBondContact O-N 2.87Å; P171-T174 PolarHBondContact O-OG1 3.25Å
172N87.2Confident94.7Very high60 Ų6060 Ų6032%0.32133%0.334SS..THydrogen-bonded Turntrans-58.5144.2177.6-169.620.9000111.1P111 M147P111-N172 WeakPolarHBondContact CB-O 3.47Å; P111-N172 WeakPolarHBondContact CG-O 3.38Å; M147-N172 WeakPolarHBondContact O-CB 3.31Å
173G86.6Confident94.7Very high43 Ų4362.7 Ų62.744%0.44335%0.345SS..THydrogen-bonded Turntrans90.6-10.2-175.400000114.9
174T91.7Very high94.8Very high7 Ų753.6 Ų53.64%0.04331%0.305CS..  trans-84.8149.4169.562.90000111.3P111 C170 P171 C198P111-T174 HydrophobicContact CB-CG2 4.12Å; P111-T174 HydrophobicContact CG-CG2 3.94Å; P111-T174 VanDerWaalsContact O-CG2 3.3Å; P111-T174 WeakPolarHBondContact O-CG2 3.35Å; C170-T174 VanDerWaalsContact CB-OG1 3.27Å; C170-T174 WeakPolarHBondContact CB-OG1 3.26Å; P171-T174 HydrophobicContact CG-CG2 3.91Å; P171-T174 PolarHBondContact O-N 2.87Å; P171-T174 PolarHBondContact O-OG1 3.25Å; T174-C198 HydrophobicContact CG2-CB 3.82Å
175T91.9Very high94.9Very high96 Ų9651.3 Ų51.359%0.58930%0.295SS*.  trans-127.2-8.1-173.562.20000114T199T175-T199 PolarHBondContact N-O 3.05Å
176R93.4Very high94.9Very high93 Ų9351.2 Ų51.235%0.35130%0.298SS..EExtended strand (participates in β ladder)trans-162167.4-175.355.2-175.252.8-158.8-9112.8T199 T201R176-T199 HydrophobicContact CG-CG2 3.99Å; R176-T199 PolarHBondContact N-O 3.2Å; R176-T199 PolarHBondContact O-N 2.94Å; R176-T201 WeakPolarHBondContact CD-O 3.41Å
177C95.8Very high94.6Very high41 Ų4149.4 Ų49.428%0.27729%0.293SS..EExtended strand (participates in β ladder)trans-91.4135.3168.3-50.20000110.5C153 G197C153-C177 WeakPolarHBondContact CA-SG 3.45Å; C153-C177 HydrophobicContact CB-CB 3.73Å; C153-C177 WeakPolarHBondContact CB-SG 3.45Å; C153-C177 WeakPolarHBondContact SG-CA 3.31Å; C153-C177 WeakPolarHBondContact SG-CB 3.36Å; C153-C177 CovalentContact SG-SG 2.03Å; C153-C177 PolarHBondContact SG-SG 3.21Å; C177-G197 WeakPolarHBondContact CA-O 3.35Å
178Y97.3Very high94.3Very high8 Ų849 Ų493%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-100.4141.9168.4174.4-86.9000109.7L113 V195 K196 G197 L206 E220L113-Y178 HydrophobicContact CD1-CD1 3.38Å; L113-Y178 HydrophobicContact CD1-CE1 4.24Å; L113-Y178 HydrophobicContact CD1-CG 3.73Å; Y178-V195 HydrophobicContact CE1-CB 4.13Å; Y178-V195 HydrophobicContact CE1-CG1 4.39Å; Y178-V195 WeakPolarHBondContact CE1-O 3.38Å; Y178-K196 WeakPolarHBondContact O-CA 3.49Å; Y178-G197 PolarHBondContact N-O 3.21Å; Y178-G197 PolarHBondContact O-N 3.06Å; Y178-G197 VanDerWaalsContact O-N 3.14Å; Y178-L206 HydrophobicContact CE1-CB 4.34Å; Y178-L206 HydrophobicContact CE1-CD2 3.79Å; Y178-L206 HydrophobicContact CE1-CG 4.47Å; Y178-L206 HydrophobicContact CE2-CB 3.85Å; Y178-E220 WeakPolarHBondContact CE2-OE1 3.31Å; Y178-E220 WeakPolarHBondContact OH-CG 3.39Å; Y178-E220 PolarHBondContact OH-OE1 3.47Å
179Q97.3Very high94.3Very high91 Ų9145.7 Ų45.743%0.42528%0.284SS..EExtended strand (participates in β ladder)trans-143.8121.2170.5-60.9178.253.700107.4K196 P223Q179-K196 HydrophobicContact CB-CG 4.27Å; Q179-K196 HydrophobicContact CG-CB 4.44Å; Q179-K196 HydrophobicContact CG-CD 4.23Å; Q179-K196 HydrophobicContact CG-CG 4Å; Q179-P223 WeakPolarHBondContact O-CD 3.45Å
180G97.3Very high94.4Very high6 Ų649 Ų496%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-164.1176.3-179.600000112.7V195 V221G180-V195 PolarHBondContact N-O 2.86Å; G180-V195 PolarHBondContact O-N 3.47Å; G180-V221 CarbonylContact C-O 3.5Å; G180-V221 WeakPolarHBondContact CA-O 3.47Å
181K98.1Very high94.5Very high70 Ų7049.9 Ų49.930%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-127.8141.3174.4-66.7-171.7174.9-1680109.7V193 E194 V221K181-V193 CarbonylContact C-O 3.59Å; K181-V193 VanDerWaalsContact CA-O 3.28Å; K181-V193 WeakPolarHBondContact CA-O 3.41Å; K181-E194 HydrophobicContact CG-CB 4.23Å; K181-E194 HydrophobicContact CG-CG 4.25Å; K181-V221 PolarHBondContact N-O 3.17Å; K181-V221 PolarHBondContact O-N 3.47Å
182L98.6Very high94.9Very high0 Ų048.7 Ų48.70%030%0.295CS..EExtended strand (participates in β ladder)trans-105112.3169.7-56.1-176.6000107.8I80 I184 S192 V193 L206 M207 V218 E220I80-L182 HydrophobicContact CD1-CD1 3.58Å; I80-L182 HydrophobicContact CG1-CD1 4.18Å; L182-I184 HydrophobicContact CB-CD1 4.3Å; L182-I184 HydrophobicContact CB-CG1 4.23Å; L182-S192 CarbonylContact O-C 3.59Å; L182-S192 VanDerWaalsContact O-CA 3.31Å; L182-S192 WeakPolarHBondContact O-CA 3.26Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 PolarHBondContact N-O 2.82Å; L182-V193 PolarHBondContact O-N 3.19Å; L182-L206 HydrophobicContact CD1-CD2 4.4Å; L182-M207 HydrophobicContact CD1-CG 4.31Å; L182-M207 HydrophobicContact CD1-SD 3.93Å; L182-M207 HydrophobicContact CD2-CG 3.8Å; L182-M207 HydrophobicContact CD2-SD 4.49Å; L182-V218 HydrophobicContact CB-CG1 4.04Å; L182-V218 HydrophobicContact CD1-CG1 4.36Å; L182-V218 HydrophobicContact CD2-CG1 4.2Å; L182-V218 HydrophobicContact CG-CG1 4.43Å; L182-E220 HydrophobicContact CD2-CB 3.84Å; L182-E220 HydrophobicContact CD2-CG 3.66Å
183E98.3Very high95.4Very high76 Ų7645.8 Ų45.836%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-87.6119.7170.9-55-66.1169.500107.6S192 R219 V221E183-S192 WeakPolarHBondContact OE2-CB 3.2Å; E183-R219 HydrophobicContact CB-CB 4.3Å; E183-R219 PolarHBondContact N-O 2.82Å; E183-R219 PolarHBondContact O-N 2.86Å; E183-V221 HydrophobicContact CG-CG2 4.24Å
184I98.4Very high96Very high1 Ų145 Ų451%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-121.4125.9-169.6-55.3172.3000109.1L78 L89 L182 I189 E190 S191 V193 M216 F217 V218L78-I184 HydrophobicContact CD2-CD1 4Å; L89-I184 HydrophobicContact CD1-CD1 4.07Å; L89-I184 HydrophobicContact CD2-CD1 3.55Å; L89-I184 HydrophobicContact CD2-CG2 4.39Å; L89-I184 HydrophobicContact CG-CD1 4.43Å; L182-I184 HydrophobicContact CB-CD1 4.3Å; L182-I184 HydrophobicContact CB-CG1 4.23Å; I184-I189 HydrophobicContact CB-CG2 4.33Å; I184-I189 HydrophobicContact CG2-CG2 3.81Å; I184-E190 WeakPolarHBondContact O-CA 3.45Å; I184-S191 PolarHBondContact N-O 3.26Å; I184-S191 PolarHBondContact O-N 2.89Å; I184-V193 HydrophobicContact CD1-CG2 3.83Å; I184-M216 HydrophobicContact CG2-CB 4.22Å; I184-M216 HydrophobicContact CG2-CG 4.23Å; I184-M216 HydrophobicContact CG2-SD 3.94Å; I184-F217 WeakPolarHBondContact CA-O 3.3Å; I184-V218 HydrophobicContact CG1-CG1 4.16Å; I184-V218 HydrophobicContact CG1-CG2 4.27Å; I184-V218 HydrophobicContact CG2-CG2 4.43Å
185T98Very high96.3Very high68 Ų6844.6 Ų44.642%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-136.6147.2179.256.90000110.9I189 F217T185-I189 CarbonylContact C-O 3.56Å; T185-I189 VanDerWaalsContact CA-O 3.25Å; T185-I189 WeakPolarHBondContact CA-O 3.45Å; T185-F217 PolarHBondContact N-O 2.03Å; T185-F217 PolarHBondContact O-N 3Å
186G96.4Very high96.6Very high30 Ų3041.8 Ų41.831%0.30924%0.242SC..EExtended strand (participates in β ladder)trans111.3160.1173.700000113G188 I189 P215G186-G188 PolarHBondContact O-N 2.88Å; G186-I189 PolarHBondContact N-O 3.11Å; G186-I189 PolarHBondContact O-N 3.09Å; G186-P215 CarbonylContact C-O 3.31Å
187G90.3Very high96.8Very high39 Ų3937.4 Ų37.440%0.40223%0.226SC..THydrogen-bonded Turntrans56.930.6-177.100000114.3M91 I189M91-G187 WeakPolarHBondContact CE-O 3.27Å; G187-I189 VanDerWaalsContact C-N 3.29Å; G187-I189 PolarHBondContact O-N 3.36Å
188G92.4Very high96.8Very high68 Ų6835.8 Ų35.870%0.70122%0.215SC*.THydrogen-bonded Turntrans80.7-0.6-175.700000115.3L45 G186L45-G188 WeakPolarHBondContact CD2-O 3.24Å; G186-G188 PolarHBondContact O-N 2.88Å
189I93.5Very high96.6Very high4 Ų435.6 Ų35.62%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-92.9133.2174-63.7-176.2000110.1L45 M47 L89 M91 I184 T185 G186 G187 M216L45-I189 HydrophobicContact CD1-CD1 3.96Å; L45-I189 HydrophobicContact CD1-CG1 3.4Å; L45-I189 HydrophobicContact CG-CG1 4.37Å; M47-I189 HydrophobicContact CG-CD1 4.46Å; M47-I189 HydrophobicContact SD-CG1 4.46Å; M47-I189 HydrophobicContact SD-CG2 3.91Å; L89-I189 HydrophobicContact CB-CD1 3.97Å; L89-I189 HydrophobicContact CD2-CD1 4.24Å; L89-I189 HydrophobicContact CD2-CG2 3.98Å; M91-I189 HydrophobicContact CE-CB 4.25Å; M91-I189 HydrophobicContact CE-CD1 3.36Å; M91-I189 HydrophobicContact CE-CG1 3.58Å; I184-I189 HydrophobicContact CB-CG2 4.33Å; I184-I189 HydrophobicContact CG2-CG2 3.81Å; T185-I189 CarbonylContact C-O 3.56Å; T185-I189 VanDerWaalsContact CA-O 3.25Å; T185-I189 WeakPolarHBondContact CA-O 3.45Å; G186-I189 PolarHBondContact N-O 3.11Å; G186-I189 PolarHBondContact O-N 3.09Å; G187-I189 VanDerWaalsContact C-N 3.29Å; G187-I189 PolarHBondContact O-N 3.36Å; I189-M216 HydrophobicContact CD1-SD 3.91Å
190E96Very high96.4Very high174 Ų17433.5 Ų33.581%0.81321%0.213SC*.EExtended strand (participates in β ladder)trans-138.1100.4163.9-174.6175.7-173.100107.6I184I184-E190 WeakPolarHBondContact O-CA 3.45Å
191S96.3Very high96Very high25 Ų2534.7 Ų34.718%0.17522%0.219CC..EExtended strand (participates in β ladder)trans-154.5160.2-173-167.20000112.2I184I184-S191 PolarHBondContact N-O 3.26Å; I184-S191 PolarHBondContact O-N 2.89Å
192S97.7Very high95.6Very high22 Ų2237.4 Ų37.415%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-114141.6170161.10000108.4G160 L182 E183G160-S192 WeakPolarHBondContact CA-O 3.44Å; G160-S192 PolarHBondContact N-O 3.28Å; G160-S192 PolarHBondContact O-OG 2.62Å; L182-S192 CarbonylContact O-C 3.59Å; L182-S192 VanDerWaalsContact O-CA 3.31Å; L182-S192 WeakPolarHBondContact O-CA 3.26Å; E183-S192 WeakPolarHBondContact OE2-CB 3.2Å
193V98.6Very high95.2Very high0 Ų039.4 Ų39.40%026%0.256CS..EExtended strand (participates in β ladder)trans-121.3113.9170.9-172.40000109.3I80 A87 L89 V157 A158 L159 K181 L182 I184 V195I80-V193 HydrophobicContact CD1-CB 4.36Å; I80-V193 HydrophobicContact CD1-CG1 4.04Å; I80-V193 HydrophobicContact CD1-CG2 4.38Å; A87-V193 HydrophobicContact CB-CG1 4.06Å; L89-V193 HydrophobicContact CD1-CG2 3.96Å; L89-V193 HydrophobicContact CD2-CG2 4.4Å; V157-V193 HydrophobicContact CG2-CG1 3.82Å; A158-V193 CarbonylContact O-C 3.52Å; A158-V193 WeakPolarHBondContact O-CA 2.99Å; L159-V193 HydrophobicContact CD2-CG2 4.16Å; K181-V193 CarbonylContact C-O 3.59Å; K181-V193 VanDerWaalsContact CA-O 3.28Å; K181-V193 WeakPolarHBondContact CA-O 3.41Å; L182-V193 HydrophobicContact CB-CB 4.36Å; L182-V193 PolarHBondContact N-O 2.82Å; L182-V193 PolarHBondContact O-N 3.19Å; I184-V193 HydrophobicContact CD1-CG2 3.83Å; V193-V195 HydrophobicContact CG1-CG2 3.92Å
194E98.5Very high95Very high25 Ų2538.3 Ų38.312%0.11726%0.256CS..EExtended strand (participates in β ladder)trans-82.4133171-172.6173.5-173.600109.9V157 A158 G160 T161 C162 K181 K196V157-E194 WeakPolarHBondContact CA-O 3.41Å; A158-E194 PolarHBondContact N-O 2.69Å; A158-E194 PolarHBondContact O-N 3.14Å; G160-E194 WeakPolarHBondContact O-CB 3.38Å; G160-E194 PolarHBondContact O-N 2.77Å; T161-E194 WeakPolarHBondContact CA-OE2 3.47Å; T161-E194 VanDerWaalsContact CB-OE2 3.3Å; T161-E194 WeakPolarHBondContact CB-OE2 3.47Å; C162-E194 PolarHBondContact N-OE2 2.83Å; K181-E194 HydrophobicContact CG-CB 4.23Å; K181-E194 HydrophobicContact CG-CG 4.25Å; E194-K196 WeakPolarHBondContact OE1-CE 3.44Å; E194-K196 IonicContact OE1-NZ 2.69Å; E194-K196 PolarHBondContact OE1-NZ 3.19Å
195V98.4Very high94.9Very high0 Ų046.1 Ų46.10%029%0.286CS..EExtended strand (participates in β ladder)trans-134.7127-176.3-170.90000109.7I80 L113 V157 Y178 G180 V193 L206I80-V195 HydrophobicContact CG2-CG1 4.02Å; I80-V195 HydrophobicContact CG2-CG2 3.65Å; L113-V195 HydrophobicContact CD1-CG1 3.92Å; L113-V195 HydrophobicContact CD2-CG1 3.7Å; L113-V195 HydrophobicContact CG-CG1 4.43Å; V157-V195 HydrophobicContact CG2-CG2 4.33Å; Y178-V195 HydrophobicContact CE1-CB 4.13Å; Y178-V195 HydrophobicContact CE1-CG1 4.39Å; Y178-V195 WeakPolarHBondContact CE1-O 3.38Å; G180-V195 PolarHBondContact N-O 2.86Å; G180-V195 PolarHBondContact O-N 3.47Å; V193-V195 HydrophobicContact CG1-CG2 3.92Å; V195-L206 HydrophobicContact CB-CD2 4.16Å; V195-L206 HydrophobicContact CG1-CD2 3.98Å; V195-L206 HydrophobicContact CG2-CD2 4.23Å
196K98.2Very high94.9Very high36 Ų3642.9 Ų42.916%0.15727%0.266CS..EExtended strand (participates in β ladder)trans-133.6141.7172.7-57.1-178.6177.3142.90109.6P154 T155 C156 A165 Y178 Q179 E194P154-K196 HydrophobicContact CB-CD 4.3Å; P154-K196 CarbonylContact O-C 3.56Å; P154-K196 VanDerWaalsContact O-C 3.3Å; P154-K196 VanDerWaalsContact O-CB 3.26Å; P154-K196 WeakPolarHBondContact O-CB 3.47Å; T155-K196 VanDerWaalsContact CA-O 3.32Å; T155-K196 WeakPolarHBondContact CA-O 3.47Å; C156-K196 PolarHBondContact N-O 3Å; C156-K196 PolarHBondContact O-N 2.91Å; C156-K196 VanDerWaalsContact O-O 3.14Å; A165-K196 HydrophobicContact CB-CD 3.99Å; Y178-K196 WeakPolarHBondContact O-CA 3.49Å; Q179-K196 HydrophobicContact CB-CG 4.27Å; Q179-K196 HydrophobicContact CG-CB 4.44Å; Q179-K196 HydrophobicContact CG-CD 4.23Å; Q179-K196 HydrophobicContact CG-CG 4Å; E194-K196 WeakPolarHBondContact OE1-CE 3.44Å; E194-K196 IonicContact OE1-NZ 2.69Å; E194-K196 PolarHBondContact OE1-NZ 3.19Å
197G97.1Very high94.9Very high1 Ų141.5 Ų41.51%0.0125%0.251CS..EExtended strand (participates in β ladder)trans167.9-173.2174.700000113.5P154 C177 Y178P154-G197 WeakPolarHBondContact O-CA 3.34Å; P154-G197 PolarHBondContact O-N 3.01Å; P154-G197 VanDerWaalsContact O-N 3.17Å; C177-G197 WeakPolarHBondContact CA-O 3.35Å; Y178-G197 PolarHBondContact N-O 3.21Å; Y178-G197 PolarHBondContact O-N 3.06Å; Y178-G197 VanDerWaalsContact O-N 3.14Å
198C95.4Very high95.2Very high7 Ų742.8 Ų42.85%0.04725%0.254CS..EExtended strand (participates in β ladder)trans-76.8143.3177.6-48.20000110.5G112 L113 C170 T174G112-C198 CarbonylContact C-O 3.5Å; G112-C198 VanDerWaalsContact CA-O 3.28Å; G112-C198 WeakPolarHBondContact CA-O 3.36Å; L113-C198 PolarHBondContact N-O 2.9Å; C170-C198 WeakPolarHBondContact CA-SG 3.42Å; C170-C198 HydrophobicContact CB-CB 3.62Å; C170-C198 WeakPolarHBondContact CB-SG 3.43Å; C170-C198 WeakPolarHBondContact SG-CB 3.27Å; C170-C198 CovalentContact SG-SG 2.03Å; C170-C198 PolarHBondContact SG-SG 3.17Å; T174-C198 HydrophobicContact CG2-CB 3.82Å
199T94.7Very high95.4Very high4 Ų442.3 Ų42.33%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-152.2157.8173.2-1680000112.2T175 R176 T201T175-T199 PolarHBondContact N-O 3.05Å; R176-T199 HydrophobicContact CG-CG2 3.99Å; R176-T199 PolarHBondContact N-O 3.2Å; R176-T199 PolarHBondContact O-N 2.94Å; T199-T201 VanDerWaalsContact OG1-CB 3.29Å; T199-T201 WeakPolarHBondContact OG1-CB 3.4Å; T199-T201 PolarHBondContact OG1-N 3.27Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å
200A91.6Very high95.6Very high48 Ų4845.2 Ų45.240%0.39726%0.264SS..SBendtrans-91.3-16.2162.300000112.2I202A200-I202 PolarHBondContact O-N 3.23Å
201T89.4Confident95.7Very high30 Ų3040.9 Ų40.918%0.18425%0.246CC..  trans-63.7130.6-177.1-61.80000111.4R176 T199 R205R176-T201 WeakPolarHBondContact CD-O 3.41Å; T199-T201 VanDerWaalsContact OG1-CB 3.29Å; T199-T201 WeakPolarHBondContact OG1-CB 3.4Å; T199-T201 PolarHBondContact OG1-N 3.27Å; T199-T201 PolarHBondContact OG1-OG1 3.02Å; T201-R205 HydrophobicContact CG2-CB 3.65Å; T201-R205 WeakPolarHBondContact CG2-O 3.37Å
202I89.9Confident95.7Very high127 Ų12743 Ų4365%0.65127%0.265SS*.  trans-89.1120.8-179.2-58.8174.9000110A200A200-I202 PolarHBondContact O-N 3.23Å
203G89.9Confident95.8Very high42 Ų4242.1 Ų42.143%0.43326%0.259SS..SBendtrans83.9-153.5173.600000112.4R205G203-R205 PolarHBondContact O-N 3.11Å
204C94.6Very high95.7Very high54 Ų5443.5 Ų43.537%0.36527%0.272SS..SBendtrans-93.577.7178-161.20000108.8E220 C222C204-E220 WeakPolarHBondContact CA-OE1 3.32Å; C204-C222 WeakPolarHBondContact CA-SG 3.49Å; C204-C222 HydrophobicContact CB-CB 3.64Å; C204-C222 WeakPolarHBondContact CB-SG 3.34Å; C204-C222 WeakPolarHBondContact SG-CB 3.44Å; C204-C222 PolarHBondContact SG-N 3.22Å; C204-C222 CovalentContact SG-SG 2.04Å; C204-C222 PolarHBondContact SG-SG 3.02Å
205R96.1Very high95.6Very high164 Ų16443.6 Ų43.662%0.61928%0.276SS*.  trans-142.530.2-174.2-65.5-172.9172.3-172.7-3113.1T201 G203 M207 S208 E220T201-R205 HydrophobicContact CG2-CB 3.65Å; T201-R205 WeakPolarHBondContact CG2-O 3.37Å; G203-R205 PolarHBondContact O-N 3.11Å; R205-M207 PolarHBondContact O-N 2.77Å; R205-S208 WeakPolarHBondContact O-CA 3.43Å; R205-S208 PolarHBondContact O-N 2.72Å; R205-E220 WeakPolarHBondContact CA-OE2 3.19Å; R205-E220 PolarHBondContact N-OE1 2.8Å
206L97.1Very high95.6Very high0 Ų043.8 Ų43.80%028%0.276CS..THydrogen-bonded Turntrans-54.6-37.1174-170.970.7000111.7H107 S108 L113 V115 Y178 L182 V195 S208 E220H107-L206 CarbonylContact C-O 3.5Å; S108-L206 WeakPolarHBondContact OG-CA 3.38Å; S108-L206 PolarHBondContact OG-O 3.01Å; L113-L206 HydrophobicContact CB-CD1 3.82Å; L113-L206 HydrophobicContact CD1-CD1 3.77Å; L113-L206 HydrophobicContact CG-CD1 4.44Å; V115-L206 HydrophobicContact CG2-CD1 3.88Å; V115-L206 HydrophobicContact CG2-CD2 3.98Å; V115-L206 HydrophobicContact CG2-CG 3.68Å; Y178-L206 HydrophobicContact CE1-CB 4.34Å; Y178-L206 HydrophobicContact CE1-CD2 3.79Å; Y178-L206 HydrophobicContact CE1-CG 4.47Å; Y178-L206 HydrophobicContact CE2-CB 3.85Å; L182-L206 HydrophobicContact CD1-CD2 4.4Å; V195-L206 HydrophobicContact CB-CD2 4.16Å; V195-L206 HydrophobicContact CG1-CD2 3.98Å; V195-L206 HydrophobicContact CG2-CD2 4.23Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-E220 WeakPolarHBondContact CB-OE1 3.27Å; L206-E220 PolarHBondContact N-OE1 3.27Å; L206-E220 PolarHBondContact N-OE2 2.92Å
207M97.9Very high95.6Very high1 Ų146.8 Ų46.81%0.00529%0.29CS..THydrogen-bonded Turntrans-86.45.5174.9-66-56.3-63.400113.8L78 H107 V115 L182 R205 G209 I210 V213 V218 E220L78-M207 HydrophobicContact CD1-CE 3.97Å; L78-M207 HydrophobicContact CD1-SD 4.43Å; L78-M207 HydrophobicContact CD2-CE 4.43Å; H107-M207 VanDerWaalsContact CE1-CE 3.49Å; H107-M207 WeakPolarHBondContact CE1-CE 3.37Å; H107-M207 PolarHBondContact ND1-O 3.29Å; V115-M207 HydrophobicContact CG1-SD 3.75Å; L182-M207 HydrophobicContact CD1-CG 4.31Å; L182-M207 HydrophobicContact CD1-SD 3.93Å; L182-M207 HydrophobicContact CD2-CG 3.8Å; L182-M207 HydrophobicContact CD2-SD 4.49Å; R205-M207 PolarHBondContact O-N 2.77Å; M207-G209 PolarHBondContact O-N 2.03Å; M207-G209 VanDerWaalsContact O-N 3.09Å; M207-I210 WeakPolarHBondContact O-CB 3.04Å; M207-I210 PolarHBondContact O-N 2.96Å; M207-V213 HydrophobicContact CE-CG2 3.9Å; M207-V218 HydrophobicContact CE-CB 4.3Å; M207-V218 HydrophobicContact CE-CG1 4.12Å; M207-V218 HydrophobicContact CE-CG2 4.32Å; M207-V218 HydrophobicContact CG-CG1 3.85Å; M207-V218 HydrophobicContact SD-CG1 4.17Å; M207-E220 PolarHBondContact N-OE2 3.03Å
208S96.6Very high95.7Very high67 Ų6746.8 Ų46.847%0.46929%0.289SS..THydrogen-bonded Turntrans54.124.3-173.8-79.10000114.7H107 R205 L206 I210H107-S208 WeakPolarHBondContact O-CB 3.29Å; H107-S208 PolarHBondContact O-OG 3.46Å; R205-S208 WeakPolarHBondContact O-CA 3.43Å; R205-S208 PolarHBondContact O-N 2.72Å; L206-S208 VanDerWaalsContact C-N 3.3Å; S208-I210 PolarHBondContact O-N 2.97Å
209G95.6Very high95.8Very high57 Ų5753 Ų5359%0.58831%0.312SS*.THydrogen-bonded Turntrans75.84.9-176.500000114.5M207 L211M207-G209 PolarHBondContact O-N 2.03Å; M207-G209 VanDerWaalsContact O-N 3.09Å; G209-L211 PolarHBondContact O-N 3.33Å
210I97.7Very high96Very high66 Ų6654.4 Ų54.434%0.33832%0.318SS..  trans-82.7113174.7-59.8170.6000107.5V105 M207 S208 A212V105-I210 HydrophobicContact CG1-CD1 3.59Å; M207-I210 WeakPolarHBondContact O-CB 3.04Å; M207-I210 PolarHBondContact O-N 2.96Å; S208-I210 PolarHBondContact O-N 2.97Å; I210-A212 WeakPolarHBondContact CG2-O 3.01Å
211L97.8Very high96.2Very high83 Ų8354.5 Ų54.544%0.43531%0.314SS..  trans-94.5-23.2-175.6-54.8177.7000112.7G209 F217 V218G209-L211 PolarHBondContact O-N 3.33Å; L211-F217 HydrophobicContact CB-CD2 4.09Å; L211-F217 HydrophobicContact CB-CE2 3.55Å; L211-F217 HydrophobicContact CB-CZ 4.03Å; L211-F217 HydrophobicContact CD1-CE2 4.03Å; L211-F217 HydrophobicContact CD1-CZ 3.94Å; L211-F217 HydrophobicContact CG-CE2 4.41Å; L211-F217 CarbonylContact O-C 3.58Å; L211-F217 VanDerWaalsContact O-CA 3.32Å; L211-F217 WeakPolarHBondContact O-CA 3.28Å; L211-V218 WeakPolarHBondContact CD2-O 3.45Å; L211-V218 PolarHBondContact O-N 3.45Å
212A97.8Very high96.4Very high69 Ų6954.7 Ų54.757%0.5732%0.316SS*.EExtended strand (participates in β ladder)trans-104.2130.3-179.600000110.3I210 M216I210-A212 WeakPolarHBondContact CG2-O 3.01Å; A212-M216 WeakPolarHBondContact CA-O 3.03Å
213V98Very high96.2Very high4 Ų452.9 Ų52.92%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-134.499.3175.5179.90000107.4T76 M207 M216 V218T76-V213 HydrophobicContact CG2-CG1 3.95Å; M207-V213 HydrophobicContact CE-CG2 3.9Å; V213-M216 HydrophobicContact CB-CB 4.47Å; V213-M216 HydrophobicContact CB-CE 4.27Å; V213-M216 HydrophobicContact CG1-CE 3.85Å; V213-M216 PolarHBondContact N-O 3.38Å; V213-M216 VanDerWaalsContact O-CB 3.29Å; V213-M216 WeakPolarHBondContact O-CB 3.31Å; V213-M216 PolarHBondContact O-N 3.06Å; V213-V218 HydrophobicContact CG2-CG2 4.18Å
214G97.4Very high95.4Very high28 Ų2862.1 Ų62.129%0.28933%0.334SS..THydrogen-bonded Turntrans50.9-128.8-165.900000110.1S119 Y121 M216S119-G214 VanDerWaalsContact OG-CA 3.27Å; S119-G214 WeakPolarHBondContact OG-CA 3.26Å; Y121-G214 VanDerWaalsContact OH-C 3.28Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.31Å
215P97.4Very high93.6Very high28 Ų2866.7 Ų66.718%0.18235%0.35CS..THydrogen-bonded Turntrans-84.43.5177.738.9-38.8000113.8Q74 T76 M91 I95 Y121 G186Q74-P215 HydrophobicContact CG-CG 4.41Å; T76-P215 WeakPolarHBondContact OG1-CD 3.19Å; M91-P215 HydrophobicContact CE-CG 4.41Å; M91-P215 HydrophobicContact SD-CG 3.23Å; M91-P215 WeakPolarHBondContact SD-CG 3.35Å; I95-P215 HydrophobicContact CD1-CB 3.71Å; Y121-P215 WeakPolarHBondContact OH-CD 2.98Å; G186-P215 CarbonylContact C-O 3.31Å
216M97.8Very high91Very high3 Ų365.7 Ų65.72%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-85.9142.6174.2-63.4178.4-84.500111.3T76 L78 M91 I184 I189 A212 V213 G214T76-M216 HydrophobicContact CG2-CE 3.44Å; T76-M216 VanDerWaalsContact CG2-CE 3.44Å; L78-M216 HydrophobicContact CB-CE 4.02Å; M91-M216 HydrophobicContact CE-CE 4.37Å; M91-M216 HydrophobicContact CE-CG 3.3Å; M91-M216 HydrophobicContact CE-SD 3.81Å; M91-M216 HydrophobicContact SD-CG 4.35Å; I184-M216 HydrophobicContact CG2-CB 4.22Å; I184-M216 HydrophobicContact CG2-CG 4.23Å; I184-M216 HydrophobicContact CG2-SD 3.94Å; I189-M216 HydrophobicContact CD1-SD 3.91Å; A212-M216 WeakPolarHBondContact CA-O 3.03Å; V213-M216 HydrophobicContact CB-CB 4.47Å; V213-M216 HydrophobicContact CB-CE 4.27Å; V213-M216 HydrophobicContact CG1-CE 3.85Å; V213-M216 PolarHBondContact N-O 3.38Å; V213-M216 VanDerWaalsContact O-CB 3.29Å; V213-M216 WeakPolarHBondContact O-CB 3.31Å; V213-M216 PolarHBondContact O-N 3.06Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.31Å
217F98.3Very high88.3Confident100 Ų10073.7 Ų73.744%0.43940%0.398SS..EExtended strand (participates in β ladder)trans-109.2125164.1-172-98.4000109.5I184 T185 L211 R219I184-F217 WeakPolarHBondContact CA-O 3.3Å; T185-F217 PolarHBondContact N-O 2.03Å; T185-F217 PolarHBondContact O-N 3Å; L211-F217 HydrophobicContact CB-CD2 4.09Å; L211-F217 HydrophobicContact CB-CE2 3.55Å; L211-F217 HydrophobicContact CB-CZ 4.03Å; L211-F217 HydrophobicContact CD1-CE2 4.03Å; L211-F217 HydrophobicContact CD1-CZ 3.94Å; L211-F217 HydrophobicContact CG-CE2 4.41Å; L211-F217 CarbonylContact O-C 3.58Å; L211-F217 VanDerWaalsContact O-CA 3.32Å; L211-F217 WeakPolarHBondContact O-CA 3.28Å; F217-R219 HydrophobicContact CE1-CB 4.38Å
218V98.5Very high85.6Confident0 Ų079.2 Ų79.20%043%0.432CS..EExtended strand (participates in β ladder)trans-117.2115.6-174-1740000109.4L78 L182 I184 M207 L211 V213L78-V218 HydrophobicContact CD2-CG2 4.15Å; L182-V218 HydrophobicContact CB-CG1 4.04Å; L182-V218 HydrophobicContact CD1-CG1 4.36Å; L182-V218 HydrophobicContact CD2-CG1 4.2Å; L182-V218 HydrophobicContact CG-CG1 4.43Å; I184-V218 HydrophobicContact CG1-CG1 4.16Å; I184-V218 HydrophobicContact CG1-CG2 4.27Å; I184-V218 HydrophobicContact CG2-CG2 4.43Å; M207-V218 HydrophobicContact CE-CB 4.3Å; M207-V218 HydrophobicContact CE-CG1 4.12Å; M207-V218 HydrophobicContact CE-CG2 4.32Å; M207-V218 HydrophobicContact CG-CG1 3.85Å; M207-V218 HydrophobicContact SD-CG1 4.17Å; L211-V218 WeakPolarHBondContact CD2-O 3.45Å; L211-V218 PolarHBondContact O-N 3.45Å; V213-V218 HydrophobicContact CG2-CG2 4.18Å
219R98.1Very high82.8Confident139 Ų13984 Ų8453%0.52545%0.447SS..EExtended strand (participates in β ladder)trans-105.9112.8175.6179.1173.7174.8-87.9-3.8110.4E183 F217 V221E183-R219 HydrophobicContact CB-CB 4.3Å; E183-R219 PolarHBondContact N-O 2.82Å; E183-R219 PolarHBondContact O-N 2.86Å; F217-R219 HydrophobicContact CE1-CB 4.38Å; R219-V221 HydrophobicContact CG-CG2 4.28Å
220E97.9Very high79.9Confident32 Ų3286.5 Ų86.515%0.1545%0.453CS..EExtended strand (participates in β ladder)trans-82.2129.1176.4-166.9-177.3156.900111.6Y178 L182 C204 R205 L206 M207Y178-E220 WeakPolarHBondContact CE2-OE1 3.31Å; Y178-E220 WeakPolarHBondContact OH-CG 3.39Å; Y178-E220 PolarHBondContact OH-OE1 3.47Å; L182-E220 HydrophobicContact CD2-CB 3.84Å; L182-E220 HydrophobicContact CD2-CG 3.66Å; C204-E220 WeakPolarHBondContact CA-OE1 3.32Å; R205-E220 WeakPolarHBondContact CA-OE2 3.19Å; R205-E220 PolarHBondContact N-OE1 2.8Å; L206-E220 WeakPolarHBondContact CB-OE1 3.27Å; L206-E220 PolarHBondContact N-OE1 3.27Å; L206-E220 PolarHBondContact N-OE2 2.92Å; M207-E220 PolarHBondContact N-OE2 3.03Å
221V96Very high77.1Confident51 Ų5194.4 Ų94.431%0.30948%0.478SS..EExtended strand (participates in β ladder)trans-129.8119.5-178.6-172.60000109.6G180 K181 E183 R219G180-V221 CarbonylContact C-O 3.5Å; G180-V221 WeakPolarHBondContact CA-O 3.47Å; K181-V221 PolarHBondContact N-O 3.17Å; K181-V221 PolarHBondContact O-N 3.47Å; E183-V221 HydrophobicContact CG-CG2 4.24Å; R219-V221 HydrophobicContact CG-CG2 4.28Å
222C93.4Very high74.4Confident33 Ų33100.4 Ų100.422%0.22350%0.501CS..  trans-120.6153.9175.8-48.40000110.8C204 R224C204-C222 WeakPolarHBondContact CA-SG 3.49Å; C204-C222 HydrophobicContact CB-CB 3.64Å; C204-C222 WeakPolarHBondContact CB-SG 3.34Å; C204-C222 WeakPolarHBondContact SG-CB 3.44Å; C204-C222 PolarHBondContact SG-N 3.22Å; C204-C222 CovalentContact SG-SG 2.04Å; C204-C222 PolarHBondContact SG-SG 3.02Å; C222-R224 PolarHBondContact O-N 2.84Å
223P87Confident71.5Confident90 Ų90102.4 Ų102.458%0.58451%0.506SS*.  trans-54134.8169.9-22.633.3000110.3Q179 Q225Q179-P223 WeakPolarHBondContact O-CD 3.45Å; P223-Q225 PolarHBondContact O-N 3.04Å
224R72.3Confident69.1Low235 Ų235110.7 Ų110.789%0.88755%0.545SS*.  trans-64.1112.9170.2-70.1-173.2178.2-176.60.1107.6C222 L226C222-R224 PolarHBondContact O-N 2.84Å; R224-L226 VanDerWaalsContact C-N 3.26Å; R224-L226 PolarHBondContact O-N 2.86Å
225Q57.4Low66.5Low150 Ų150116 Ų11670%0.70157%0.566SS**  trans-66.594.7164.6-71-177.1-12.100107P223 L227P223-Q225 PolarHBondContact O-N 3.04Å; Q225-L227 PolarHBondContact O-N 3.46Å; Q225-L227 VanDerWaalsContact O-N 3.11Å
226L40.5Very low64.2Low144 Ų144119.2 Ų119.275%0.75461%0.605SS**  trans-57117159.6-69.2169.5000105.2R224 T228R224-L226 VanDerWaalsContact C-N 3.26Å; R224-L226 PolarHBondContact O-N 2.86Å; L226-T228 PolarHBondContact O-N 3.35Å
227L42.1Very low61.4Low167 Ų167122.9 Ų122.987%0.87464%0.636SS**  trans-67.461.7171.3-72.7166.9000109.5Q225 Q229Q225-L227 PolarHBondContact O-N 3.46Å; Q225-L227 VanDerWaalsContact O-N 3.11Å; L227-Q229 VanDerWaalsContact C-N 3.28Å
228T39.6Very low58.4Low117 Ų117124.4 Ų124.472%0.71865%0.654SS**  trans-101.152163.816.70000108.1L226 P230L226-T228 PolarHBondContact O-N 3.35Å; T228-P230 WeakPolarHBondContact O-CD 3.39Å
229Q37.7Very low55.8Low169 Ų169130.3 Ų130.379%0.7969%0.693SS**  trans-83.6108.9148.2-84.1-96-20.700104.6L227 R231L227-Q229 VanDerWaalsContact C-N 3.28Å; Q229-R231 PolarHBondContact O-N 3.33Å
230P35.2Very low53.1Low108 Ų108130.7 Ų130.770%0.70171%0.705SS**  trans-54.9121.3163.223.5-29.4000105.6T228 K232T228-P230 WeakPolarHBondContact O-CD 3.39Å; P230-K232 VanDerWaalsContact C-N 3.34Å; P230-K232 PolarHBondContact O-N 2.76Å
231R38.2Very low50.4Low233 Ų233134.8 Ų134.888%0.87974%0.735SS**  trans-52.3110.7164.9-78.6-179.5171.2156.1-2.6104.9Q229 T233Q229-R231 PolarHBondContact O-N 3.33Å; R231-T233 PolarHBondContact O-N 3.29Å; R231-T233 PolarHBondContact O-OG1 3.04Å
232K42.7Very low48Very low208 Ų208139.5 Ų139.590%0.90476%0.756SS**  trans-70.282.4165.6-170.9177-177.2-178.90104.9P230 E234P230-K232 VanDerWaalsContact C-N 3.34Å; P230-K232 PolarHBondContact O-N 2.76Å; K232-E234 PolarHBondContact O-N 3.17Å; K232-E234 VanDerWaalsContact O-N 3.14Å
233T36.6Very low45.7Very low111 Ų111143.1 Ų143.168%0.68178%0.779SS**  trans-61115.6165.9-7.50000105.3R231 N235R231-T233 PolarHBondContact O-N 3.29Å; R231-T233 PolarHBondContact O-OG1 3.04Å; T233-N235 PolarHBondContact O-N 3.39Å
234E47.5Very low44.1Very low179 Ų179145.9 Ų145.984%0.83679%0.794SS**SBendtrans-63.483.5161.1-175.4177.2-178.700106.6K232K232-E234 PolarHBondContact O-N 3.17Å; K232-E234 VanDerWaalsContact O-N 3.14Å
235N42.8Very low42.9Very low138 Ų138146.8 Ų146.874%0.73880%0.798SS**SBendtrans173.4118152.9-84.6-23.2000107T233 A237T233-N235 PolarHBondContact O-N 3.39Å; N235-A237 VanDerWaalsContact C-N 3.3Å; N235-A237 PolarHBondContact O-N 2.8Å
236G48.3Very low42.5Very low97 Ų97143 Ų143100%180%0.8SS**  trans-64.481-175.200000113.3
237A39.1Very low42.8Very low80 Ų80144.9 Ų144.966%0.66181%0.809SS**  trans-132.211616200000108.8N235 C239N235-A237 VanDerWaalsContact C-N 3.3Å; N235-A237 PolarHBondContact O-N 2.8Å; A237-C239 PolarHBondContact O-N 3.14Å
238T34.8Very low43.3Very low132 Ų132145.5 Ų145.581%0.8181%0.807SS**  trans-69.896.4177.4-38.20000109L240T238-L240 PolarHBondContact O-N 3.5Å; T238-L240 VanDerWaalsContact O-N 3.17Å
239C45.6Very low43.9Very low124 Ų124147.8 Ų147.884%0.83882%0.815SS**  trans-73.7102.4165.6-830000108.7A237A237-C239 PolarHBondContact O-N 3.14Å
240L39.5Very low44.2Very low146 Ų146147.2 Ų147.276%0.76482%0.816SS**PPolyproline II helixtrans-67.6135.5166.9-70.5168.4000109.1T238 I242T238-L240 PolarHBondContact O-N 3.5Å; T238-L240 VanDerWaalsContact O-N 3.17Å; L240-I242 PolarHBondContact O-N 2.96Å
241P41.9Very low44.6Very low119 Ų119150.7 Ų150.777%0.77383%0.828SS**PPolyproline II helixtrans-70.2120.417528.3-30.6000109P243P241-P243 WeakPolarHBondContact O-CD 3.49Å
242I46.6Very low45Very low150 Ų150144 Ų14477%0.76982%0.815SS**PPolyproline II helixtrans-69.2121.6170.6-58.3172.9000107L240 V244L240-I242 PolarHBondContact O-N 2.96Å; I242-V244 PolarHBondContact O-N 3.03Å
243P43.5Very low45.2Very low108 Ų108141.5 Ų141.570%0.70181%0.81SS**PPolyproline II helixtrans-68.9121.2174.227.5-30000108.5P241 W245P241-P243 WeakPolarHBondContact O-CD 3.49Å; P243-W245 PolarHBondContact O-N 2.79Å
244V53.3Low45.3Very low149 Ų149144.7 Ų144.790%0.90382%0.822SS**SBendtrans-75.766.9171.1-172.80000108.1I242I242-V244 PolarHBondContact O-N 3.03Å
245W48.5Very low45.1Very low254 Ų254143.8 Ų143.896%0.96282%0.822SS**  trans-149.491.9165.4-142.715.3000109.2P243P243-W245 PolarHBondContact O-N 2.79Å
246G49.4Very low45.1Very low71 Ų71142.4 Ų142.473%0.73282%0.821SS**  trans156.745.8-177.600000113.9
247L46.5Very low44.7Very low182 Ų182142.6 Ų142.695%0.95381%0.807SS**  trans-12759.3160.9-147.281.4000109.8
248Q51.4Low45Very low180 Ų180146.3 Ų146.384%0.84181%0.814SS**  trans-140.474167.5-158.9154.713.100107.8
249L52.5Low45.2Very low166 Ų166147.7 Ų147.787%0.86982%0.815SS**  trans-179.2105.5150-119.390.4000107
250L44.5Very low44.7Very low157 Ų157149 Ų14982%0.82281%0.808SS**  trans174.777.9147.4-94.5155.5000108.4
251L42.9Very low44.5Very low180 Ų180150.9 Ų150.994%0.94281%0.811SS**  trans-135.398.6154.1-128.496.9000107.9
252P46.5Very low44.4Very low94 Ų94154.1 Ų154.161%0.6184%0.836SS**  trans-110.2127.4158.519.1-0.6000110.9
253L47.3Very low44.3Very low154 Ų154154.4 Ų154.481%0.80684%0.839SS**  trans62.891.9137.6-68.5151.9000118
254L38.3Very low44.4Very low178 Ų178156.8 Ų156.893%0.93285%0.847SS**  trans-140.688.8136.8-72.6179.2000109.7
255L44Very low43.9Very low160 Ų160157.2 Ų157.284%0.83884%0.844SS**  trans-125.3118.9153.9-110.2150.8000106.1
256P42.3Very low43.6Very low109 Ų109151.5 Ų151.571%0.70884%0.837SS**  -134.7156.412334.3-22.8000108.8
257S39.8Very low43.2Very low101 Ų101156.6 Ų156.671%0.70684%0.843SS**  cis-164.1144.6-11.3-82.20000102.8I259S257-I259 PolarHBondContact O-N 2.81Å
258I46Very low43Very low159 Ų159154.9 Ų154.982%0.81584%0.836SS**  trans-58.4124.9172.8-64.6157.4000109.1
259I38.9Very low42.4Very low161 Ų161153.1 Ų153.183%0.82684%0.836SS**  trans-137108.3147.4-59.9-174.3000109.1S257S257-I259 PolarHBondContact O-N 2.81Å
260H34.7Very low41.6Very low151 Ų151152.1 Ų152.170%0.69983%0.833SS**  trans-57.8139.4161.3-157.8-84.3000110.2
261F36.4Very low41.4Very low186 Ų186151.7 Ų151.782%0.81683%0.834SS**  trans-178.3122.8136.9-98.9-68.8000111.5
262S39.7Very low41.3Very low187 Ų187149.1 Ų149.1100%1.30882%0.824SS**  trans50.20154.4-53.20000120.7

Retrieved 262 of 262 residues in 1554.5 ms (Link to these results)